| 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 | 33.6 | Very low | 34.4 | Very low | 232 Ų | 232 | 158 Ų | 158 | 100% | 1.143 | 85% | 0.846 | S | S | * | * | 0 | 119.1 | 0 | -64.9 | 163.4 | 169.2 | 0 | 0 | 107 | |||||
| 2 | F | 35.3 | Very low | 34.1 | Very low | 185 Ų | 185 | 157.1 Ų | 157.1 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | cis | -106.6 | 168.3 | -11.5 | -91.9 | -111.4 | 0 | 0 | 0 | 110.4 | ||||
| 3 | S | 30.6 | Very low | 34 | Very low | 117 Ų | 117 | 161.7 Ų | 161.7 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -160.6 | 91.4 | 174.6 | -73.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 4 | D | 38.8 | Very low | 33.9 | Very low | 137 Ų | 137 | 164.2 Ų | 164.2 | 73% | 0.733 | 85% | 0.85 | S | S | * | * | trans | -90.8 | 109.5 | 176.6 | -68.3 | -63.5 | 0 | 0 | 0 | 111.5 | ||||
| 5 | K | 35.7 | Very low | 33.8 | Very low | 204 Ų | 204 | 165 Ų | 165 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | -97.7 | 100.6 | 166.1 | -75.7 | 178.7 | 177.4 | 172.9 | 0 | 108.7 | ||||
| 6 | V | 37.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 166.4 Ų | 166.4 | 76% | 0.764 | 84% | 0.843 | S | S | * | * | trans | -100 | 104.5 | 174 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | F | 36 | Very low | 33.6 | Very low | 199 Ų | 199 | 161.8 Ų | 161.8 | 87% | 0.873 | 84% | 0.836 | S | S | * | * | trans | 46.6 | 124.8 | 153.9 | -76.5 | -95.1 | 0 | 0 | 0 | 122.1 | ||||
| 8 | K | 34.7 | Very low | 33.3 | Very low | 184 Ų | 184 | 162 Ų | 162 | 80% | 0.8 | 84% | 0.839 | S | S | * | * | trans | -90.6 | 155.9 | 150 | -70.5 | -176.8 | 174.5 | -177.2 | 0 | 110.3 | ||||
| 9 | N | 31.6 | Very low | 33.1 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | 118.8 | 125.5 | 152.5 | -62.2 | -14.9 | 0 | 0 | 0 | 114.1 | ||||
| 10 | G | 31.8 | Very low | 33.3 | Very low | 83 Ų | 83 | 156.9 Ų | 156.9 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 172.1 | 68.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 11 | S | 32.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 156.8 Ų | 156.8 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | trans | -83.3 | 153.7 | -178.4 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | N | 31.6 | Very low | 33.2 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | 70.8 | 97.3 | 171.3 | -52.1 | -43.6 | 0 | 0 | 0 | 117.3 | ||||
| 13 | F | 31.8 | Very low | 33.1 | Very low | 217 Ų | 217 | 156.4 Ų | 156.4 | 95% | 0.952 | 82% | 0.822 | S | S | * | * | -136.8 | 131.9 | 125.8 | -117.6 | -84.8 | 0 | 0 | 0 | 109.7 | |||||
| 14 | K | 33.5 | Very low | 33.2 | Very low | 197 Ų | 197 | 157 Ų | 157 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -128.2 | 104 | -175.1 | 173.6 | -171.1 | 175.2 | 178.2 | 0 | 109.5 | ||||
| 15 | K | 32.5 | Very low | 32.9 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 77% | 0.765 | 83% | 0.83 | S | S | * | * | trans | -178.3 | 155.1 | 143.9 | -111.9 | 171.4 | 175.6 | -174.3 | 0 | 114.8 | ||||
| 16 | F | 30.1 | Very low | 32.8 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 82% | 0.82 | 83% | 0.829 | S | S | * | * | trans | 79.8 | 135.7 | 152.2 | -82.1 | -60.3 | 0 | 0 | 0 | 123.1 | ||||
| 17 | A | 33.9 | Very low | 32.5 | Very low | 89 Ų | 89 | 158.6 Ų | 158.6 | 74% | 0.736 | 84% | 0.838 | S | S | * | * | trans | 83.6 | 111.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 18 | D | 27.6 | Very low | 32.5 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | -64.8 | 135.9 | 158 | -47 | -92.9 | 0 | 0 | 0 | 111 | ||||
| 19 | A | 29.5 | Very low | 32.4 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | 168.8 | 116.3 | 145 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | T | 37.8 | Very low | 32.4 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -163.8 | 55.7 | 146 | 3.3 | 0 | 0 | 0 | 0 | 110.6 | W22 | T20-W22 PolarHBondContact O-N 3.3Š| ||
| 21 | D | 30.1 | Very low | 32.5 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -73.6 | 71.5 | 166.6 | -175.5 | 22.6 | 0 | 0 | 0 | 109.9 | ||||
| 22 | W | 35.5 | Very low | 32.7 | Very low | 232 Ų | 232 | 153.4 Ų | 153.4 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -129.3 | 80.9 | -171 | -102.1 | 42 | 0 | 0 | 0 | 110.8 | T20 | T20-W22 PolarHBondContact O-N 3.3Š| ||
| 23 | M | 31.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 174.7 | 66.4 | 135.5 | -96.9 | -169.2 | 169.3 | 0 | 0 | 112.6 | ||
| 24 | C | 32.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -145 | 69.8 | 166 | -102.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 25 | T | 33.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -118 | 77.3 | 173.3 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 26 | D | 34.4 | Very low | 32.9 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -135.6 | 66.9 | 167 | -92.6 | -46 | 0 | 0 | 0 | 109.2 | ||||
| 27 | Q | 30.3 | Very low | 33.1 | Very low | 204 Ų | 204 | 147.6 Ų | 147.6 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | trans | -106.8 | 68.7 | 158.9 | -80.1 | -162.1 | -14.2 | 0 | 0 | 109.4 | ||||
| 28 | A | 35.5 | Very low | 33.3 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -83.4 | 109.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S30 | A28-S30 PolarHBondContact O-N 3.48Š| ||
| 29 | S | 33.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -51.2 | 115.4 | -173.4 | 50.9 | 0 | 0 | 0 | 0 | 115.2 | L31 | S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.22Å | ||
| 30 | S | 31.4 | Very low | 34 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -74.2 | 77.8 | 163.3 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | A28 | A28-S30 PolarHBondContact O-N 3.48Š| ||
| 31 | L | 33.7 | Very low | 33.9 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -114.2 | 86.4 | 161.4 | -81.3 | 179.8 | 0 | 0 | 0 | 109.8 | S29 | S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.22Å | ||
| 32 | N | 35.5 | Very low | 34.2 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 138.8 | 170.7 | -85 | -50.3 | 0 | 0 | 0 | 110.9 | ||||
| 33 | K | 33.2 | Very low | 34.3 | Very low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | 71.9 | 88.2 | 143.9 | -163.3 | 178.6 | -172.1 | 177.3 | 0 | 117.9 | ||||
| 34 | L | 32.8 | Very low | 34.5 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -152.1 | 91.2 | 142.8 | -128.7 | 155.8 | 0 | 0 | 0 | 111 | ||||
| 35 | E | 31.4 | Very low | 34.6 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -89.3 | 130.2 | 161.7 | -72.6 | 178.6 | 108.2 | 0 | 0 | 109.2 | ||||
| 36 | S | 37.5 | Very low | 34.7 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 163 | 136.2 | 125.3 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 37 | N | 34.4 | Very low | 34.8 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | 63.7 | 147.3 | 144.9 | -70.1 | 2.9 | 0 | 0 | 0 | 120.5 | ||||
| 38 | V | 37.4 | Very low | 34.9 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | cis | -167.4 | 144.5 | -22.8 | 88.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 39 | H | 36.5 | Very low | 35 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 55.7 | 161.8 | 160.3 | -71.5 | -63.7 | 0 | 0 | 0 | 118.8 | ||||
| 40 | D | 34.6 | Very low | 35.2 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -154.7 | -173.2 | -8.3 | -122.1 | -19.5 | 0 | 0 | 0 | 112.2 | ||||
| 41 | E | 35.9 | Very low | 35.3 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 98.2 | 144.8 | 157.6 | -75.7 | -60.1 | 165.6 | 0 | 0 | 121.1 | ||||
| 42 | L | 37 | Very low | 35.3 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | trans | -126.7 | -158.8 | -164.1 | -101 | 172.8 | 0 | 0 | 0 | 108.4 | ||||
| 43 | P | 38.3 | Very low | 35.3 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | cis | -144.4 | 156.4 | 11.5 | 42.6 | -21.7 | 0 | 0 | 0 | 120.7 | ||||
| 44 | L | 35 | Very low | 35.3 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 25.1 | 126.9 | 134.7 | -52.9 | 176.5 | 0 | 0 | 0 | 122.2 | ||||
| 45 | R | 35.6 | Very low | 35.1 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | -179 | 151.8 | 127.9 | -100.3 | -179.7 | 177.9 | -146.4 | -1.4 | 109.5 | |||||
| 46 | S | 34.9 | Very low | 35.2 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 57% | 0.566 | 75% | 0.746 | S | S | * | * | cis | -179.9 | 152.6 | -22.2 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 47 | L | 36.7 | Very low | 34.9 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | 68.3 | 158.9 | 162.2 | -60.4 | 154.6 | 0 | 0 | 0 | 117 | ||||
| 48 | S | 32.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -175.6 | 144 | -33 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 49 | G | 37.3 | Very low | 34.5 | Very low | 61 Ų | 61 | 140.4 Ų | 140.4 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | 141.5 | 110.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 50 | T | 38.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | 67.1 | 131.4 | 72.8 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 51 | N | 33.5 | Very low | 34.2 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -160.2 | 166 | -5.1 | -113.8 | -9.4 | 0 | 0 | 0 | 113.5 | ||||
| 52 | Q | 33.6 | Very low | 34.1 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -30.4 | 155.6 | 169.1 | -58.7 | 159.9 | -8.1 | 0 | 0 | 119.5 | ||||
| 53 | L | 34.6 | Very low | 33.7 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 158.5 | 140.7 | 135.6 | -84.8 | 164.6 | 0 | 0 | 0 | 108.6 | ||||
| 54 | M | 33.5 | Very low | 33.6 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | cis | -161.6 | 162.7 | -17.6 | -160.3 | 60.8 | 161.2 | 0 | 0 | 108.6 | ||||
| 55 | D | 28.9 | Very low | 33.3 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -68.4 | 156.5 | 176 | -48.6 | -93.7 | 0 | 0 | 0 | 114.5 | ||||
| 56 | S | 33.1 | Very low | 33.3 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -160.9 | 146.1 | 116.6 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 57 | F | 30 | Very low | 33 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -75.8 | 161.1 | 162.3 | -78 | -120.7 | 0 | 0 | 0 | 110 | ||||
| 58 | D | 34.4 | Very low | 32.8 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -158.3 | 162.7 | 117.1 | -121.1 | -32.3 | 0 | 0 | 0 | 113.3 | |||||
| 59 | V | 30.9 | Very low | 32.9 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | trans | -123.2 | 138.1 | -172.4 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | Y | 33.3 | Very low | 32.5 | Very low | 231 Ų | 231 | 146.4 Ų | 146.4 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -164.4 | 149.3 | 145.2 | -112 | -71.4 | 0 | 0 | 0 | 115 | ||||
| 61 | H | 31.3 | Very low | 32.3 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -72.6 | 147.6 | 170.3 | -80.5 | -143.1 | 0 | 0 | 0 | 112.6 | ||||
| 62 | H | 33.4 | Very low | 32.2 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | -171.4 | 157.7 | 108.2 | -105 | 74.3 | 0 | 0 | 0 | 116.8 | |||||
| 63 | S | 28.2 | Very low | 32.2 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -60.8 | 145.5 | -176.1 | 53.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 64 | A | 36.5 | Very low | 32.1 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | -173.5 | 119.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 65 | Y | 28.8 | Very low | 32.1 | Very low | 222 Ų | 222 | 150.8 Ų | 150.8 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | 75.8 | 127.5 | 62.1 | -106.9 | -74.4 | 0 | 0 | 0 | 117.6 | |||||
| 66 | K | 34.7 | Very low | 32.2 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 73.9 | 132.4 | 176.8 | -58.5 | -178.7 | 177.8 | 179.1 | 0 | 116.2 | ||||
| 67 | S | 28 | Very low | 32.2 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | 109.8 | 112.8 | 5.9 | -169 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 68 | S | 33.9 | Very low | 32.2 | Very low | 105 Ų | 105 | 154.8 Ų | 154.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -174.8 | 116.8 | 147.8 | -102.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 69 | T | 34.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | 61 | 135.3 | 87.7 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 70 | N | 29.3 | Very low | 32 | Very low | 127 Ų | 127 | 154 Ų | 154 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | cis | -162.6 | 171.4 | 4.4 | -120.8 | 16.6 | 0 | 0 | 0 | 112.2 | ||||
| 71 | E | 32.9 | Very low | 31.8 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | 65.3 | 154.9 | 162.9 | -74.1 | 149.8 | -140.9 | 0 | 0 | 117.2 | ||||
| 72 | F | 31.6 | Very low | 31.8 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | cis | -132.6 | 130.3 | 17.7 | -154.3 | -90.5 | 0 | 0 | 0 | 111.3 | E74 | F72-E74 HydrophobicContact CE1-CB 4.35Å; F72-E74 HydrophobicContact CE1-CG 3.87Å; F72-E74 HydrophobicContact CZ-CG 4.23Å | ||
| 73 | L | 33.2 | Very low | 31.9 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -153.6 | 72.4 | 179.9 | -156.3 | 170.6 | 0 | 0 | 0 | 111.4 | R75 | L73-R75 HydrophobicContact CD2-CG 4.45Å; L73-R75 PolarHBondContact O-N 3.42Å | ||
| 74 | E | 32.8 | Very low | 32.2 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 106.5 | 177.3 | -76.9 | -159.4 | 115.4 | 0 | 0 | 112.8 | F72 | F72-E74 HydrophobicContact CE1-CB 4.35Å; F72-E74 HydrophobicContact CE1-CG 3.87Å; F72-E74 HydrophobicContact CZ-CG 4.23Å | ||
| 75 | R | 33.3 | Very low | 32 | Very low | 196 Ų | 196 | 154 Ų | 154 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -78.4 | 144.4 | 147.3 | -65.5 | 175.9 | 173.9 | -177.7 | -3.2 | 108 | L73 R77 | L73-R75 HydrophobicContact CD2-CG 4.45Å; L73-R75 PolarHBondContact O-N 3.42Å; R75-R77 PolarHBondContact O-N 2.66Å | ||
| 76 | P | 30.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -64.6 | 103.4 | 171.7 | 27.6 | -33.7 | 0 | 0 | 0 | 109.7 | ||||
| 77 | R | 34.5 | Very low | 32.1 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -99.3 | 132.7 | 167.3 | -82.2 | -167.1 | 168.9 | -150.3 | -2.5 | 109.4 | R75 V79 | R75-R77 PolarHBondContact O-N 2.66Å; R77-V79 PolarHBondContact O-N 2.78Å | ||
| 78 | I | 29.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | -63.8 | 120.6 | 174.1 | -64 | 162.8 | 0 | 0 | 0 | 108.3 | V80 | I78-V80 HydrophobicContact CG2-CG2 3.95Š| ||
| 79 | V | 32.2 | Very low | 32.3 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -111.1 | 102.8 | 169.1 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | R77 | R77-V79 PolarHBondContact O-N 2.78Š| ||
| 80 | V | 29.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | trans | -98.3 | 114.8 | 165.3 | 173 | 0 | 0 | 0 | 0 | 107.5 | I78 | I78-V80 HydrophobicContact CG2-CG2 3.95Š| ||
| 81 | N | 28.1 | Very low | 32.5 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -178.5 | 166.3 | 137.9 | -101.2 | -44.6 | 0 | 0 | 0 | 112.9 | ||||
| 82 | S | 31.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 73.1 | 60.4 | 163.8 | -57.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 83 | I | 34.6 | Very low | 32.9 | Very low | 174 Ų | 174 | 144 Ų | 144 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | -110.7 | 127.2 | 122.7 | -63 | -177.6 | 0 | 0 | 0 | 107.2 | |||||
| 84 | K | 35.6 | Very low | 33.1 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | -116.3 | 153.8 | -179.8 | -169 | -172.9 | 175.3 | -179.1 | 0 | 108.1 | ||||
| 85 | N | 32.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 85.5 | 140.4 | 179.9 | -42.4 | -30.4 | 0 | 0 | 0 | 113.8 | ||||
| 86 | G | 33.4 | Very low | 33.2 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 104.6 | 54.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 87 | L | 31.4 | Very low | 33.4 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | 74.5 | 109.4 | 93.8 | -73.1 | 171.5 | 0 | 0 | 0 | 114.1 | |||||
| 88 | T | 33 | Very low | 33.3 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 52.7 | 134.3 | 139.1 | 59.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 89 | S | 33.8 | Very low | 33.7 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | cis | -168.3 | 156.4 | 29.2 | 68.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 90 | L | 32.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | 65.4 | 150.1 | 153.7 | -60.3 | 166.4 | 0 | 0 | 0 | 118 | ||||
| 91 | H | 35.2 | Very low | 33.8 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 68% | 0.676 | 77% | 0.774 | S | S | * | * | cis | -163.1 | 137.8 | -26 | -170.5 | -77 | 0 | 0 | 0 | 108 | ||||
| 92 | P | 36.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -90.5 | 172 | 177.2 | 37.2 | -36.2 | 0 | 0 | 0 | 113 | ||||
| 93 | N | 36.6 | Very low | 34 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 171.8 | 157.2 | 137.7 | -90.2 | -12.1 | 0 | 0 | 0 | 113.5 | ||||
| 94 | N | 36.8 | Very low | 33.8 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 67.1 | 120.7 | 173.8 | -56.5 | -7.4 | 0 | 0 | 0 | 115.3 | ||||
| 95 | M | 31.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | cis | 73.8 | 124.9 | 40.1 | -156.8 | -169.2 | -47.4 | 0 | 0 | 111 | ||||
| 96 | S | 36.4 | Very low | 33.8 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -131.4 | -175.6 | 29.6 | 62.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 97 | T | 35.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 64% | 0.638 | 80% | 0.798 | S | S | * | * | trans | -69.5 | 179.4 | 160.4 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 98 | E | 33.1 | Very low | 33.6 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -159.1 | 166.5 | 14 | -138.9 | 129.4 | -175 | 0 | 0 | 110.4 | ||||
| 99 | E | 36.2 | Very low | 33.6 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 61.5 | 151.4 | 165 | -61.4 | 176.5 | 151 | 0 | 0 | 118.1 | ||||
| 100 | E | 34.8 | Very low | 33.4 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | cis | -118.5 | 162.7 | -4.2 | -76.7 | -166.5 | 106.7 | 0 | 0 | 112.3 | ||||
| 101 | M | 29.4 | Very low | 33.1 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -93.7 | 123.4 | 164.5 | -67.7 | -177.3 | 176.2 | 0 | 0 | 111.6 | ||||
| 102 | S | 33.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 164.5 | 120.6 | 124.6 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 103 | L | 30.3 | Very low | 32.4 | Very low | 174 Ų | 174 | 152.8 Ų | 152.8 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | 162.9 | 64.7 | 144.8 | -91 | 161.5 | 0 | 0 | 0 | 111 | ||||
| 104 | F | 30.6 | Very low | 32.1 | Very low | 215 Ų | 215 | 155 Ų | 155 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -124.7 | 105.9 | 162.3 | -111.8 | -93.1 | 0 | 0 | 0 | 110 | ||||
| 105 | K | 37.5 | Very low | 31.9 | Very low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | -136.6 | 141.9 | 165 | -83.1 | -173.4 | 176.6 | -179.4 | 0 | 106.7 | ||||
| 106 | S | 32.2 | Very low | 31.7 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | cis | -163.3 | 113.9 | -16 | -177.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 107 | M | 29.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -136.2 | 83 | -177.4 | -169.6 | 165.7 | 79.5 | 0 | 0 | 110.6 | ||||
| 108 | D | 31.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 158 Ų | 158 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | trans | -126.3 | 127.3 | 175.3 | -93.6 | -57.9 | 0 | 0 | 0 | 111.3 | ||||
| 109 | T | 31.8 | Very low | 31.4 | Very low | 128 Ų | 128 | 159.3 Ų | 159.3 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -92.8 | 117.7 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 110 | V | 30.7 | Very low | 31.3 | Very low | 135 Ų | 135 | 155 Ų | 155 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -111.3 | 118.4 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 111 | Y | 26.6 | Very low | 31.4 | Very low | 206 Ų | 206 | 154 Ų | 154 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -111.7 | 124.9 | 171.7 | -110.7 | -66.6 | 0 | 0 | 0 | 110.2 | ||||
| 112 | T | 28.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | trans | 80.7 | 118.4 | 146.8 | -24.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 113 | T | 27.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 155.3 Ų | 155.3 | 64% | 0.644 | 80% | 0.804 | S | S | * | * | trans | 72.3 | 122.6 | 144 | 48.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 114 | Q | 30.5 | Very low | 31.7 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 55.3 | 126 | 134.4 | -70.7 | 155.5 | -40 | 0 | 0 | 119 | ||||
| 115 | S | 32.2 | Very low | 32 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -161.6 | 173.8 | 63.3 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 116 | N | 28.4 | Very low | 31.8 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -79.7 | 142.8 | 176.7 | -70.1 | -46.5 | 0 | 0 | 0 | 112.5 | ||||
| 117 | L | 32.3 | Very low | 32 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | -156.9 | 140.9 | 123.9 | -146.7 | 66.5 | 0 | 0 | 0 | 112.3 | |||||
| 118 | N | 28.4 | Very low | 32.4 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -90.6 | 152.4 | 169.2 | -73.1 | -48.3 | 0 | 0 | 0 | 110.8 | ||||
| 119 | Q | 37.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 148.3 | 147.9 | 150.5 | -84.1 | 172.7 | 47.6 | 0 | 0 | 108.8 | ||||
| 120 | T | 32.8 | Very low | 32.6 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | cis | -170.6 | 178.4 | -16.2 | -77.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 121 | Q | 36.6 | Very low | 32.7 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 83 | 105.7 | 176.8 | -45.1 | -78.8 | -15 | 0 | 0 | 112.3 | ||||
| 122 | N | 31.3 | Very low | 33.2 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | 75.2 | 137.7 | 48 | -72.1 | -37.6 | 0 | 0 | 0 | 116.1 | ||||
| 123 | K | 36.1 | Very low | 33.4 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | 73.4 | 150.4 | 169.5 | -66.8 | 176.5 | 164.6 | -175.3 | 0 | 114.7 | ||||
| 124 | L | 33.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | cis | -155.3 | 142.4 | 11.4 | -155.6 | 61 | 0 | 0 | 0 | 114.1 | ||||
| 125 | I | 36.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 64% | 0.641 | 77% | 0.766 | S | S | * | * | trans | 62.9 | 126.7 | 145.5 | -79.4 | 173.3 | 0 | 0 | 0 | 123.1 | ||||
| 126 | N | 32.5 | Very low | 33.9 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 26 | 150.1 | 131.5 | -35 | -14.6 | 0 | 0 | 0 | 120.3 | ||||
| 127 | T | 35.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | -167.9 | 165.8 | 60.4 | 37.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 128 | N | 38.4 | Very low | 34.3 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 108.3 | 128.2 | 150.8 | -59.1 | -40.9 | 0 | 0 | 0 | 118.7 | ||||
| 129 | N | 31.2 | Very low | 34.5 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -124.5 | 144.6 | -176 | -52.5 | -30.8 | 0 | 0 | 0 | 110.7 | ||||
| 130 | I | 36.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -146.3 | 113.4 | 152.5 | -52.5 | -179.8 | 0 | 0 | 0 | 104.7 | ||||
| 131 | T | 31.9 | Very low | 34.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | cis | 103.2 | 85.7 | 29.6 | -57.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | T | 36.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -175.3 | 117 | 142.8 | 27.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 133 | E | 33.7 | Very low | 34.2 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | 59.4 | 129.1 | 83.9 | -67 | -168.3 | -148.2 | 0 | 0 | 113 | |||||
| 134 | I | 34.8 | Very low | 34.1 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | cis | -144 | 153.2 | 25.3 | -59.9 | 168.4 | 0 | 0 | 0 | 110.4 | ||||
| 135 | G | 33 | Very low | 33.8 | Very low | 62 Ų | 62 | 129.7 Ų | 129.7 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | trans | 129.3 | 80.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 136 | S | 33.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | 50.8 | 116 | 140.6 | -55.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 137 | A | 34.2 | Very low | 33.6 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | 56.6 | 129.4 | 124.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 138 | N | 34.4 | Very low | 33.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | cis | -144.1 | 154.7 | 5.7 | -74.9 | -49.1 | 0 | 0 | 0 | 108.2 | ||||
| 139 | S | 31.4 | Very low | 33.3 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | 58 | 126.9 | 60.1 | 127 | 0 | 0 | 0 | 0 | 112 | |||||
| 140 | L | 34.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | cis | -149.3 | 130.5 | 2.9 | -93.3 | 146.6 | 0 | 0 | 0 | 107.7 | ||||
| 141 | S | 33.8 | Very low | 33.4 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 56% | 0.559 | 74% | 0.74 | S | S | * | * | 66.8 | 135.1 | 101.8 | 86.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 142 | N | 33.9 | Very low | 33.5 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 64.7 | 114.1 | 149.3 | -56.9 | -13.3 | 0 | 0 | 0 | 117 | ||||
| 143 | N | 31.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 103.3 | 153.7 | 54.8 | -85.8 | 12.1 | 0 | 0 | 0 | 111.9 | |||||
| 144 | D | 33.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | trans | 80.4 | 96.5 | 147.2 | -74.9 | 16.1 | 0 | 0 | 0 | 122.6 | ||||
| 145 | Y | 27.5 | Very low | 33.5 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | 88.4 | 138.3 | 126.5 | -75.2 | -60.1 | 0 | 0 | 0 | 123.4 | |||||
| 146 | R | 33.4 | Very low | 33.6 | Very low | 219 Ų | 219 | 135.2 Ų | 135.2 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | 81.9 | 132.3 | 161.6 | -62.7 | 143.6 | -165.1 | -150 | 4.4 | 114.2 | ||||
| 147 | K | 30.9 | Very low | 33.5 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | 60.3 | 120.8 | 73.7 | -138.3 | -179.7 | -174.3 | -176.4 | 0 | 108.5 | |||||
| 148 | I | 35.5 | Very low | 33.5 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | -148.4 | -167.7 | 58.1 | -16.1 | 176.4 | 0 | 0 | 0 | 112.5 | |||||
| 149 | N | 32.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | -97.2 | 168.7 | -172.7 | -54.3 | -16 | 0 | 0 | 0 | 113.6 | ||||
| 150 | L | 37.5 | Very low | 33.8 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | 116 | 121.6 | 124.8 | -145.7 | 67.3 | 0 | 0 | 0 | 119.9 | |||||
| 151 | E | 33.4 | Very low | 34 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 69.1 | 138.3 | 145.5 | -77.4 | 157.4 | -163 | 0 | 0 | 125.9 | ||||
| 152 | D | 34.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | 67.5 | 139.5 | 144 | -65.3 | 2 | 0 | 0 | 0 | 124.8 | ||||
| 153 | G | 36.7 | Very low | 34.1 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 161.9 | 67.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 154 | T | 33.8 | Very low | 34.5 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -63 | 148 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 155 | S | 35.1 | Very low | 34.6 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | 162 | 113.6 | 112.7 | 54 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 156 | T | 34.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | 66.7 | 148.4 | 126.4 | -31.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 157 | F | 32.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 77% | 0.768 | 74% | 0.737 | S | S | * | * | trans | 91.2 | 140.4 | 164.3 | -66.1 | -95.1 | 0 | 0 | 0 | 119.3 | ||||
| 158 | R | 33.8 | Very low | 35.4 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -174 | 132.9 | -22.5 | 178.7 | 174.8 | -179 | -171 | 5.8 | 112.8 | ||||
| 159 | N | 36.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | 59.6 | 159.6 | 156.8 | -70.4 | 27.1 | 0 | 0 | 0 | 120.6 | ||||
| 160 | S | 34.3 | Very low | 35.5 | Very low | 76 Ų | 76 | 128 Ų | 128 | 53% | 0.531 | 73% | 0.734 | S | S | . | * | cis | -176.5 | 161.9 | -25.5 | -85.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 161 | H | 39.4 | Very low | 35.3 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 64.8 | 135.9 | 154.7 | -67.5 | -57.1 | 0 | 0 | 0 | 118.1 | ||||
| 162 | N | 35.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | cis | -154.6 | 173.2 | 12 | -96.6 | -24.7 | 0 | 0 | 0 | 112.8 | ||||
| 163 | T | 33.3 | Very low | 35.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -130 | -171.4 | -178.5 | 59 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 164 | P | 40.4 | Very low | 35.1 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | cis | -132.8 | -159 | -23.7 | 32.8 | -10.6 | 0 | 0 | 0 | 113 | ||||
| 165 | T | 36.1 | Very low | 35 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | 71.5 | 148.3 | 154.1 | 45.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 166 | D | 38.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | cis | -157.7 | 160.6 | 13.2 | -136.6 | -0.7 | 0 | 0 | 0 | 116.7 | ||||
| 167 | N | 37.3 | Very low | 34.9 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | trans | 55.1 | 106.5 | 146 | -78.4 | -46.4 | 0 | 0 | 0 | 126.6 | ||||
| 168 | N | 33.9 | Very low | 35.1 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | 73.4 | 145.4 | 117.1 | -85.7 | -47.5 | 0 | 0 | 0 | 126.6 | |||||
| 169 | S | 36.7 | Very low | 34.9 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | 69.4 | 152.5 | 169.7 | 77 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 170 | G | 32.8 | Very low | 35 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | cis | 161.8 | 157 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 171 | Y | 33.9 | Very low | 34.7 | Very low | 223 Ų | 223 | 138.3 Ų | 138.3 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | trans | 86 | 121.6 | 168.3 | -80.8 | -108.6 | 0 | 0 | 0 | 122.6 | ||||
| 172 | L | 33.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 59 | 108.8 | 142.2 | -63.8 | 178 | 0 | 0 | 0 | 124.6 | ||||
| 173 | I | 28.8 | Very low | 34.2 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 36.4 | 120.1 | 113.3 | -54.4 | 177.9 | 0 | 0 | 0 | 118.6 | |||||
| 174 | G | 36.2 | Very low | 34.3 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -154.4 | 105.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 175 | I | 32.3 | Very low | 33.9 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | -81.2 | 134.3 | 177 | -57.2 | 167.9 | 0 | 0 | 0 | 109.3 | ||||
| 176 | N | 36.8 | Very low | 34 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -153.7 | 132.2 | 160.3 | -94.8 | -52.2 | 0 | 0 | 0 | 112.1 | ||||
| 177 | N | 30.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -98.3 | 136.6 | 178.6 | -59.9 | -35.3 | 0 | 0 | 0 | 110.7 | ||||
| 178 | K | 36.9 | Very low | 33.5 | Very low | 208 Ų | 208 | 148.4 Ų | 148.4 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -162.8 | 138.2 | 143.6 | -118.4 | 164.3 | -174.2 | 174.5 | 0 | 113.8 | ||||
| 179 | T | 29.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 136.3 | 170.3 | 31.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 180 | T | 38.7 | Very low | 33.3 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -131.1 | 169.3 | 150.7 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 181 | N | 28.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -140.3 | 160.4 | -147.7 | -145.1 | -19 | 0 | 0 | 0 | 111.8 | ||||
| 182 | L | 33 | Very low | 33.4 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 70.3 | 155.9 | -179.2 | -46.5 | 170 | 0 | 0 | 0 | 113.6 | ||||
| 183 | H | 31.2 | Very low | 33.4 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | cis | -138.2 | 165.4 | 14.6 | -172.2 | 79.7 | 0 | 0 | 0 | 112.1 | ||||
| 184 | L | 34 | Very low | 33.6 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -96.4 | 152.1 | -173.7 | -70.1 | 156 | 0 | 0 | 0 | 112.7 | ||||
| 185 | N | 31.9 | Very low | 33.5 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -172.7 | 160.6 | 108.9 | -94.8 | -19.8 | 0 | 0 | 0 | 113.4 | |||||
| 186 | P | 38 | Very low | 33.4 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -118.2 | 173.6 | -165.4 | 42.5 | -31.5 | 0 | 0 | 0 | 114.3 | ||||
| 187 | E | 33.2 | Very low | 33.4 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | 177.8 | 127.1 | 124.6 | -102 | -175.7 | 166.5 | 0 | 0 | 112.8 | |||||
| 188 | F | 33.6 | Very low | 33.5 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | -167.1 | 150.4 | 124.9 | -124.7 | -91.6 | 0 | 0 | 0 | 109.4 | |||||
| 189 | T | 31.9 | Very low | 33.3 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -139.4 | 174.5 | -159.9 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 190 | S | 34.8 | Very low | 33.6 | Very low | 85 Ų | 85 | 147 Ų | 147 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | 96.4 | 139.9 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 191 | K | 34.7 | Very low | 33.1 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | cis | -166.1 | 156.9 | -7.5 | -100 | 155.6 | -165.9 | 145.8 | 0 | 104.6 | ||||
| 192 | T | 34 | Very low | 33.3 | Very low | 117 Ų | 117 | 144 Ų | 144 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | cis | -173.8 | 168.6 | 2.2 | 20.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 193 | Q | 32.9 | Very low | 33.2 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | cis | 167.5 | 121.7 | -25.1 | 170.7 | -175 | -2.2 | 0 | 0 | 106.6 | V195 | Q193-V195 HydrophobicContact CG-CG2 4.37Š| ||
| 194 | Y | 32.6 | Very low | 33.3 | Very low | 229 Ų | 229 | 146.4 Ų | 146.4 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | -166.6 | 108.6 | 152.8 | -85 | -67.3 | 0 | 0 | 0 | 106.1 | ||||
| 195 | V | 34.5 | Very low | 33 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | 75.5 | 120.8 | 67.7 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | Q193 | Q193-V195 HydrophobicContact CG-CG2 4.37Š| |||
| 196 | Y | 31.1 | Very low | 33 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | -158.6 | -132.8 | -11.9 | -136.7 | -53.7 | 0 | 0 | 0 | 111.6 | ||||
| 197 | P | 35.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | -88 | -178.3 | -120.6 | 13.9 | 11.2 | 0 | 0 | 0 | 115.1 | |||||
| 198 | S | 32.8 | Very low | 32.5 | Very low | 96 Ų | 96 | 154.2 Ų | 154.2 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | cis | 160.7 | 177.2 | -15.3 | -173.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 199 | M | 33.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 84.7 | 108 | 178.1 | -47.2 | -44.6 | -174.7 | 0 | 0 | 114.3 | ||||
| 200 | L | 33.9 | Very low | 32.4 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | 72.9 | 137.6 | 71.3 | -70.1 | 178.3 | 0 | 0 | 0 | 112.5 | |||||
| 201 | S | 29.2 | Very low | 32.2 | Very low | 78 Ų | 78 | 155 Ų | 155 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | cis | -170.9 | -167.8 | -14.6 | -162.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 202 | E | 32.2 | Very low | 32.3 | Very low | 153 Ų | 153 | 154 Ų | 154 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | 63.3 | 119.6 | 166.4 | -79.4 | 72.1 | -97.2 | 0 | 0 | 119.6 | ||||
| 203 | D | 31.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 157.2 Ų | 157.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -56.5 | 141.5 | 151.8 | -57.9 | -90.7 | 0 | 0 | 0 | 111.6 | ||||
| 204 | Y | 33.4 | Very low | 32.2 | Very low | 227 Ų | 227 | 161.9 Ų | 161.9 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -154.8 | 111.1 | 141.7 | -100.1 | -64.4 | 0 | 0 | 0 | 112.7 | ||||
| 205 | M | 29 | Very low | 32.3 | Very low | 171 Ų | 171 | 157.1 Ų | 157.1 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -85.4 | 120.8 | 160.2 | -89 | -100.3 | -71.5 | 0 | 0 | 109.4 | ||||
| 206 | Y | 30.8 | Very low | 32.1 | Very low | 202 Ų | 202 | 161 Ų | 161 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -164.1 | 168.8 | 132 | -125.9 | -93.6 | 0 | 0 | 0 | 112.6 | ||||
| 207 | R | 28.2 | Very low | 32.2 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 155.7 | -177.5 | -40.3 | 168.5 | -170.7 | 156.7 | 1 | 111.9 | ||||
| 208 | H | 33.1 | Very low | 32.2 | Very low | 175 Ų | 175 | 161.6 Ų | 161.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | -159 | 145 | 102.6 | -122.6 | -90.6 | 0 | 0 | 0 | 114.1 | |||||
| 209 | N | 27.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 164.9 Ų | 164.9 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -78.8 | 138.5 | 160.8 | -87.8 | 4.2 | 0 | 0 | 0 | 109.1 | ||||
| 210 | S | 34.6 | Very low | 32.3 | Very low | 115 Ų | 115 | 165.5 Ų | 165.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -150.5 | 152.2 | 134.1 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 211 | N | 31.6 | Very low | 32.4 | Very low | 146 Ų | 146 | 169.5 Ų | 169.5 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -77.3 | 149.8 | 170.7 | -43.5 | -67.2 | 0 | 0 | 0 | 109.3 | ||||
| 212 | D | 35.5 | Very low | 32.5 | Very low | 159 Ų | 159 | 172.1 Ų | 172.1 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -155.8 | 132.6 | 135 | -121.7 | -28.2 | 0 | 0 | 0 | 110.9 | ||||
| 213 | H | 31.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 171.8 Ų | 171.8 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | trans | -89.6 | 126.4 | 173.5 | -82.2 | -68 | 0 | 0 | 0 | 109.6 | ||||
| 214 | R | 35 | Very low | 32.4 | Very low | 244 Ų | 244 | 166.3 Ų | 166.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -145.7 | 110.2 | 153.6 | -109.7 | 154.9 | -157.4 | 169.7 | 8.7 | 112.3 | ||||
| 215 | N | 33.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 163.6 Ų | 163.6 | 68% | 0.684 | 82% | 0.816 | S | S | * | * | trans | -67.6 | 132.6 | 167 | 171.4 | 14.8 | 0 | 0 | 0 | 109.9 | ||||
| 216 | M | 30.8 | Very low | 32.2 | Very low | 182 Ų | 182 | 164.8 Ų | 164.8 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -148.1 | 133.3 | 144.1 | -91.8 | -52.5 | -177.6 | 0 | 0 | 110.3 | ||||
| 217 | N | 33 | Very low | 32.1 | Very low | 141 Ų | 141 | 162.3 Ų | 162.3 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -82.8 | 123.1 | 169.9 | -65.7 | -57 | 0 | 0 | 0 | 109.8 | ||||
| 218 | E | 36.2 | Very low | 32.2 | Very low | 188 Ų | 188 | 158.8 Ų | 158.8 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -164.6 | -175.3 | 152.7 | -122.4 | 170.7 | -157.2 | 0 | 0 | 111.7 | ||||
| 219 | I | 36.8 | Very low | 32.4 | Very low | 165 Ų | 165 | 157 Ų | 157 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | 65.2 | 61.6 | -179.2 | -38.4 | 179.1 | 0 | 0 | 0 | 114 | ||||
| 220 | N | 31.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -121.2 | 57.1 | 163 | -140.3 | -12.1 | 0 | 0 | 0 | 110.7 | ||||
| 221 | R | 35.6 | Very low | 32.4 | Very low | 238 Ų | 238 | 159.3 Ų | 159.3 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -146.9 | 67.8 | 179.8 | -76 | -163.5 | 174.7 | -160.1 | -0.1 | 113.3 | ||||
| 222 | C | 31.9 | Very low | 32.4 | Very low | 134 Ų | 134 | 159 Ų | 159 | 91% | 0.905 | 79% | 0.794 | S | S | * | * | trans | -151.9 | 120.2 | 154.2 | -110 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 223 | T | 31 | Very low | 32.2 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 129.1 | -167.5 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 224 | G | 29.6 | Very low | 32.5 | Very low | 37 Ų | 37 | 154 Ų | 154 | 38% | 0.381 | 78% | 0.775 | S | S | . | * | trans | -149 | 92.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y226 | G224-Y226 PolarHBondContact O-N 2.97Š| ||
| 225 | N | 26.9 | Very low | 32.5 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -76.5 | 87.4 | -175.8 | -82.6 | 2.1 | 0 | 0 | 0 | 111.8 | ||||
| 226 | Y | 30.5 | Very low | 33 | Very low | 197 Ų | 197 | 149 Ų | 149 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -109.1 | 103.3 | 158 | 16.5 | -95.1 | 0 | 0 | 0 | 108.5 | G224 S228 | G224-Y226 PolarHBondContact O-N 2.97Å; Y226-S228 PolarHBondContact O-N 2.91Å | ||
| 227 | E | 29.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -65.4 | 94.6 | 170.2 | -79 | -169.1 | 113.9 | 0 | 0 | 109.8 | K229 | E227-K229 HydrophobicContact CB-CD 4.42Å; E227-K229 HydrophobicContact CB-CG 4.35Å; E227-K229 PolarHBondContact O-N 3.16Å; E227-K229 WeakPolarHBondContact OE1-CE 3.06Å; E227-K229 IonicContact OE1-NZ 2.66Å; E227-K229 PolarHBondContact OE1-NZ 3.46Å; E227-K229 WeakPolarHBondContact OE2-CE 3.47Å; E227-K229 IonicContact OE2-NZ 3.9Å; E227-K229 PolarHBondContact OE2-NZ 2.81Å | ||
| 228 | S | 30.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -71.6 | 70.4 | 169.1 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | Y226 I230 | Y226-S228 PolarHBondContact O-N 2.91Å; S228-I230 VanDerWaalsContact C-N 3.33Å; S228-I230 PolarHBondContact O-N 2.91Å | ||
| 229 | K | 37.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 60% | 0.6 | 71% | 0.706 | S | S | * | * | trans | -68.3 | 85.4 | -179.8 | -92.1 | 169.2 | 172.5 | 153 | 0 | 111.8 | E227 F231 | E227-K229 HydrophobicContact CB-CD 4.42Å; E227-K229 HydrophobicContact CB-CG 4.35Å; E227-K229 PolarHBondContact O-N 3.16Å; E227-K229 WeakPolarHBondContact OE1-CE 3.06Å; E227-K229 IonicContact OE1-NZ 2.66Å; E227-K229 PolarHBondContact OE1-NZ 3.46Å; E227-K229 WeakPolarHBondContact OE2-CE 3.47Å; E227-K229 IonicContact OE2-NZ 3.9Å; E227-K229 PolarHBondContact OE2-NZ 2.81Å; K229-F231 PolarHBondContact O-N 2.86Å | ||
| 230 | I | 29.5 | Very low | 32.7 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | 45.4 | 73.9 | 147.9 | -45.9 | 178.8 | 0 | 0 | 0 | 113.9 | S228 N232 | S228-I230 VanDerWaalsContact C-N 3.33Å; S228-I230 PolarHBondContact O-N 2.91Å; I230-N232 HydrophobicContact CG2-CB 3.97Å; I230-N232 PolarHBondContact O-N 3.2Å | ||
| 231 | F | 33.1 | Very low | 32.9 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | trans | -75.1 | 60 | 166.2 | -94.7 | -80.1 | 0 | 0 | 0 | 111.7 | K229 | K229-F231 PolarHBondContact O-N 2.86Š| ||
| 232 | N | 30.5 | Very low | 32.7 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | trans | -87.9 | 116.4 | 173.2 | -86.2 | -12.6 | 0 | 0 | 0 | 111.3 | I230 | I230-N232 HydrophobicContact CG2-CB 3.97Å; I230-N232 PolarHBondContact O-N 3.2Å | ||
| 233 | S | 32.4 | Very low | 32.7 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | trans | 65.6 | 56.7 | 155.1 | -168.5 | 0 | 0 | 0 | 0 | 118.6 | Y235 | S233-Y235 VanDerWaalsContact C-N 3.27Å; S233-Y235 PolarHBondContact O-N 3.34Å | ||
| 234 | F | 36.8 | Very low | 32.7 | Very low | 133 Ų | 133 | 126 Ų | 126 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | trans | -73.5 | 85.9 | 147 | -87.5 | -71.1 | 0 | 0 | 0 | 109.7 | I236 D306 | F234-I236 PolarHBondContact O-N 3.34Å; F234-D306 HydrophobicContact CE1-CB 4.02Å; F234-D306 WeakPolarHBondContact CZ-OD1 3.42Å | ||
| 235 | Y | 35.1 | Very low | 32.9 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | trans | -75.5 | 91.1 | 179.8 | -170.7 | -95.2 | 0 | 0 | 0 | 110.8 | S233 P237 P238 | S233-Y235 VanDerWaalsContact C-N 3.27Å; S233-Y235 PolarHBondContact O-N 3.34Å; Y235-P237 HydrophobicContact CE1-CB 4.24Å; Y235-P237 WeakPolarHBondContact O-CD 3.42Å; Y235-P238 WeakPolarHBondContact OH-CD 3.49Å | ||
| 236 | I | 44.3 | Very low | 33.1 | Very low | 100 Ų | 100 | 129 Ų | 129 | 51% | 0.513 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 117.6 | 162.7 | -58.4 | 178.1 | 0 | 0 | 0 | 106.7 | F234 | F234-I236 PolarHBondContact O-N 3.34Š|
| 237 | P | 33.2 | Very low | 33.3 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 51% | 0.506 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 142.1 | -178.3 | 25.8 | -33.9 | 0 | 0 | 0 | 110.6 | Y235 F239 | Y235-P237 HydrophobicContact CE1-CB 4.24Å; Y235-P237 WeakPolarHBondContact O-CD 3.42Å; P237-F239 PolarHBondContact O-N 3.27Å |
| 238 | P | 33.8 | Very low | 33.4 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 59% | 0.591 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 134.8 | 179 | -28.3 | 35.1 | 0 | 0 | 0 | 112.5 | Y235 P240 | Y235-P238 WeakPolarHBondContact OH-CD 3.49Å; P238-P240 WeakPolarHBondContact O-CD 3.49Å |
| 239 | F | 30.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 42% | 0.417 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 125.5 | 179.1 | -65.1 | -86 | 0 | 0 | 0 | 110.3 | P237 N241 I274 M369 | P237-F239 PolarHBondContact O-N 3.27Å; F239-N241 PolarHBondContact O-N 3.37Å; F239-I274 HydrophobicContact CE2-CD1 3.88Å; F239-I274 HydrophobicContact CZ-CD1 4.17Å; F239-M369 HydrophobicContact CD1-CE 3.83Å; F239-M369 HydrophobicContact CE1-CE 4.17Å |
| 240 | P | 31.8 | Very low | 33.4 | Very low | 78 Ų | 78 | 124 Ų | 124 | 51% | 0.506 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | 71.8 | -179.3 | 31.3 | -35.8 | 0 | 0 | 0 | 111.5 | P238 | P238-P240 WeakPolarHBondContact O-CD 3.49Š|
| 241 | N | 36 | Very low | 33.8 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | -5.4 | 177.4 | -82.1 | -28 | 0 | 0 | 0 | 113.6 | F239 L243 | F239-N241 PolarHBondContact O-N 3.37Å; N241-L243 PolarHBondContact O-N 3.06Å |
| 242 | D | 31.5 | Very low | 34 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -78 | 4.6 | 178.2 | -73 | -46.7 | 0 | 0 | 0 | 113.9 | N244 | D242-N244 PolarHBondContact O-N 3.46Š| ||
| 243 | L | 33.3 | Very low | 34.7 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 64.8 | 174.1 | -76.2 | 170.4 | 0 | 0 | 0 | 112 | N241 | N241-L243 PolarHBondContact O-N 3.06Š|
| 244 | N | 30.6 | Very low | 35 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.9 | 26.8 | 169.4 | -102.5 | -42.6 | 0 | 0 | 0 | 113.2 | D242 | D242-N244 PolarHBondContact O-N 3.46Š|
| 245 | T | 32.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -114.4 | 4.5 | 179.9 | -45.4 | 0 | 0 | 0 | 0 | 113.7 | S247 | T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.48Å | ||
| 246 | E | 32.5 | Very low | 35.4 | Very low | 160 Ų | 160 | 121.4 Ų | 121.4 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -73 | -14.7 | 174.2 | -70.9 | -86.7 | 105.1 | 0 | 0 | 113.3 | C248 | E246-C248 PolarHBondContact O-N 2.95Š|
| 247 | S | 34.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -84.4 | 3.5 | -169.5 | 52.2 | 0 | 0 | 0 | 0 | 115.9 | T245 | T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.48Å |
| 248 | C | 30.1 | Very low | 35.3 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 69% | 0.689 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -123.2 | 3.1 | -175.1 | -63.8 | 0 | 0 | 0 | 0 | 115.7 | E246 | E246-C248 PolarHBondContact O-N 2.95Š|
| 249 | L | 35.1 | Very low | 35.6 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -102.1 | 0.6 | -176.3 | -67.9 | 174.8 | 0 | 0 | 0 | 115 | ||
| 250 | N | 34.2 | Very low | 36.1 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -95.9 | 15.6 | 179.2 | -65.5 | -21.7 | 0 | 0 | 0 | 113.8 | ||||
| 251 | S | 36.9 | Very low | 36.6 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -92.7 | 99.6 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | L253 | S251-L253 VanDerWaalsContact C-N 3.31Å; S251-L253 PolarHBondContact O-N 3.4Å | ||
| 252 | T | 38.8 | Very low | 36.4 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 79.8 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 253 | L | 44.8 | Very low | 36.6 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -146.3 | 138 | 170.4 | -152.6 | 67.4 | 0 | 0 | 0 | 112 | S251 | S251-L253 VanDerWaalsContact C-N 3.31Å; S251-L253 PolarHBondContact O-N 3.4Å | ||
| 254 | D | 37.1 | Very low | 37 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | trans | 10.5 | 115.5 | -178.8 | -105.4 | -62.6 | 0 | 0 | 0 | 120.9 | S256 | D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 VanDerWaalsContact CG-OG 3.31Å; D254-S256 PolarHBondContact O-N 3.16Å; D254-S256 WeakPolarHBondContact OD1-CB 3.47Å; D254-S256 PolarHBondContact OD1-OG 3.49Å | ||
| 255 | K | 40.8 | Very low | 37.1 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -93.8 | 29.3 | -177.7 | -144.5 | 170.4 | -170.3 | 172.9 | 0 | 113.2 | ||
| 256 | S | 40.4 | Very low | 37.2 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -130.7 | -10.7 | -151 | 57.9 | 0 | 0 | 0 | 0 | 116.4 | D254 | D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 VanDerWaalsContact CG-OG 3.31Å; D254-S256 PolarHBondContact O-N 3.16Å; D254-S256 WeakPolarHBondContact OD1-CB 3.47Å; D254-S256 PolarHBondContact OD1-OG 3.49Å |
| 257 | T | 44 | Very low | 37.6 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -125.4 | -2 | -162.4 | 17.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 258 | C | 31.9 | Very low | 38 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -94.4 | -0.1 | -175.7 | 56.6 | 0 | 0 | 0 | 0 | 115.8 | N260 | C258-N260 PolarHBondContact O-N 2.99Š| ||
| 259 | L | 40.5 | Very low | 38.5 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -78.6 | 58.1 | 174.6 | -78.9 | 171.9 | 0 | 0 | 0 | 112.7 | ||||
| 260 | N | 40.2 | Very low | 38.7 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -171 | 74.7 | 165.1 | -99.9 | -36.5 | 0 | 0 | 0 | 113.5 | C258 | C258-N260 PolarHBondContact O-N 2.99Š| ||
| 261 | H | 42.7 | Very low | 39.3 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -165.9 | 143 | 144.9 | -96.3 | -53.1 | 0 | 0 | 0 | 111.2 | M263 | H261-M263 PolarHBondContact O-N 3.38Š|
| 262 | G | 30.8 | Very low | 39.4 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -78.7 | 111.2 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K264 | G262-K264 PolarHBondContact O-N 3.33Š| ||
| 263 | M | 37 | Very low | 39.4 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -72.8 | 83.5 | 169.3 | -72.2 | -88.7 | 98.5 | 0 | 0 | 111.8 | H261 S265 | H261-M263 PolarHBondContact O-N 3.38Å; M263-S265 PolarHBondContact O-N 2.91Å | ||
| 264 | K | 41.6 | Very low | 39.6 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -74.1 | 105.4 | 168.5 | -83.3 | -171.3 | 173.7 | -176.2 | 0 | 111.3 | G262 R266 | G262-K264 PolarHBondContact O-N 3.33Å; K264-R266 PolarHBondContact O-N 3.18Å | ||
| 265 | S | 32.8 | Very low | 40.2 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 27.3 | 87.2 | 145.6 | 59.8 | 0 | 0 | 0 | 0 | 117 | M263 | M263-S265 PolarHBondContact O-N 2.91Š| ||
| 266 | R | 34 | Very low | 40.5 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | -132.8 | 55.7 | 172.7 | -159.3 | -179.4 | -178.9 | -170.7 | -0.5 | 112.8 | K264 D269 | K264-R266 PolarHBondContact O-N 3.18Å; R266-D269 IonicContact CZ-OD2 2.7Å; R266-D269 IonicContact NE-OD2 3.65Å; R266-D269 PolarHBondContact NE-OD2 2.7Å; R266-D269 IonicContact NH2-OD2 3.42Å; R266-D269 PolarHBondContact NH2-OD2 2.92Å | ||
| 267 | S | 40.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -93.2 | -4.7 | -168.8 | -46 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 268 | Q | 43.4 | Very low | 41.5 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -114.3 | -8.3 | -173.4 | -72.6 | -176.8 | -32.2 | 0 | 0 | 115.5 | ||
| 269 | D | 41.4 | Very low | 43.2 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 37% | 0.374 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -79 | -21.3 | -178.8 | -90.9 | -30.1 | 0 | 0 | 0 | 114.6 | R266 L271 K272 | R266-D269 IonicContact CZ-OD2 2.7Å; R266-D269 IonicContact NE-OD2 3.65Å; R266-D269 PolarHBondContact NE-OD2 2.7Å; R266-D269 IonicContact NH2-OD2 3.42Å; R266-D269 PolarHBondContact NH2-OD2 2.92Å; D269-L271 PolarHBondContact O-N 3.22Å; D269-K272 VanDerWaalsContact O-CB 3.26Å; D269-K272 WeakPolarHBondContact O-CB 3.42Å; D269-K272 PolarHBondContact O-N 2.67Å; D269-K272 VanDerWaalsContact O-N 3.15Å |
| 270 | K | 38.7 | Very low | 45.4 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -70.7 | -21.8 | -164.3 | -96.3 | -166.2 | 169.8 | -165.2 | 0 | 115.8 | K272 | K270-K272 PolarHBondContact O-N 2.72Š|
| 271 | L | 46.1 | Very low | 47.9 | Very low | 159 Ų | 159 | 126 Ų | 126 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -70.6 | -13.5 | 174.6 | -72.6 | 168.7 | 0 | 0 | 0 | 113.1 | D269 V273 | D269-L271 PolarHBondContact O-N 3.22Å; L271-V273 VanDerWaalsContact C-N 3.26Å; L271-V273 PolarHBondContact O-N 3.24Å |
| 272 | K | 38.9 | Very low | 50.4 | Low | 148 Ų | 148 | 120.2 Ų | 120.2 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -81.8 | 2.4 | -175.4 | -145.8 | 169.2 | -173.8 | 172.7 | 0 | 114.1 | D269 K270 | D269-K272 VanDerWaalsContact O-CB 3.26Å; D269-K272 WeakPolarHBondContact O-CB 3.42Å; D269-K272 PolarHBondContact O-N 2.67Å; D269-K272 VanDerWaalsContact O-N 3.15Å; K270-K272 PolarHBondContact O-N 2.72Å |
| 273 | V | 40 | Very low | 53.5 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 70% | 0.697 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -110.8 | 12.4 | -168.3 | -158.3 | 0 | 0 | 0 | 0 | 113.6 | L271 K275 | L271-V273 VanDerWaalsContact C-N 3.26Å; L271-V273 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.39Å |
| 274 | I | 49 | Very low | 56.4 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 46% | 0.462 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -58.7 | 125.5 | 153.2 | -57.1 | 176.9 | 0 | 0 | 0 | 106.2 | F239 K276 | F239-I274 HydrophobicContact CE2-CD1 3.88Å; F239-I274 HydrophobicContact CZ-CD1 4.17Å; I274-K276 WeakPolarHBondContact O-CA 3.35Å; I274-K276 PolarHBondContact O-N 3.42Å |
| 275 | K | 48.4 | Very low | 58.9 | Low | 167 Ų | 167 | 101.5 Ų | 101.5 | 73% | 0.726 | 53% | 0.53 | S | S | * | . | trans | -50.8 | 91.1 | -170.2 | -76.6 | -177.1 | 175.7 | 176.7 | 0 | 112.4 | V273 G277 S278 | V273-K275 PolarHBondContact O-N 3.39Å; K275-G277 PolarHBondContact O-N 2.87Å; K275-S278 WeakPolarHBondContact CB-OG 3.28Å; K275-S278 PolarHBondContact O-N 3.21Å | ||
| 276 | K | 47.3 | Very low | 62 | Low | 136 Ų | 136 | 96.4 Ų | 96.4 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 43 | -162.1 | -150.2 | 173.1 | -173.4 | 176.8 | 0 | 114.3 | I274 | I274-K276 WeakPolarHBondContact O-CA 3.35Å; I274-K276 PolarHBondContact O-N 3.42Å |
| 277 | G | 48.6 | Very low | 65 | Low | 56 Ų | 56 | 87.2 Ų | 87.2 | 58% | 0.577 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 170.8 | 2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | K275 G279 | K275-G277 PolarHBondContact O-N 2.87Å; G277-G279 PolarHBondContact O-N 2.85Å; G277-G279 VanDerWaalsContact O-N 3.15Å |
| 278 | S | 56.8 | Low | 67.6 | Low | 48 Ų | 48 | 83.3 Ų | 83.3 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | trans | -73.8 | 109.8 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 111 | K275 Q280 I281 | K275-S278 WeakPolarHBondContact CB-OG 3.28Å; K275-S278 PolarHBondContact O-N 3.21Å; S278-Q280 PolarHBondContact O-N 3.03Å; S278-I281 PolarHBondContact O-N 2.98Å | ||
| 279 | G | 68.6 | Low | 70.1 | Confident | 44 Ų | 44 | 76 Ų | 76 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -6.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G277 I281 K325 | G277-G279 PolarHBondContact O-N 2.85Å; G277-G279 VanDerWaalsContact O-N 3.15Å; G279-I281 VanDerWaalsContact C-N 3.31Å; G279-K325 WeakPolarHBondContact O-CD 3.27Å; G279-K325 WeakPolarHBondContact O-CE 3.46Å; G279-K325 PolarHBondContact O-NZ 3.29Å |
| 280 | Q | 86.9 | Confident | 72.7 | Confident | 170 Ų | 170 | 73.2 Ų | 73.2 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.4 | 172.9 | -161 | 172.6 | 5.8 | 0 | 0 | 114 | S278 | S278-Q280 PolarHBondContact O-N 3.03Š|
| 281 | I | 92.9 | Very high | 75.5 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | trans | -51.1 | 141.6 | 179.9 | -169.6 | 170.5 | 0 | 0 | 0 | 113.4 | S278 G279 Q285 F286 E289 W321 R324 K325 | S278-I281 PolarHBondContact O-N 2.98Å; G279-I281 VanDerWaalsContact C-N 3.31Å; I281-Q285 HydrophobicContact CD1-CB 4.11Å; I281-Q285 HydrophobicContact CG1-CB 3.74Å; I281-F286 HydrophobicContact CD1-CB 4.06Å; I281-F286 HydrophobicContact CG1-CB 4.38Å; I281-E289 WeakPolarHBondContact CD1-OE2 2.97Å; I281-W321 HydrophobicContact CG2-CZ3 4.29Å; I281-R324 HydrophobicContact CG2-CG 3.6Å; I281-K325 HydrophobicContact CG2-CD 4.38Å; I281-K325 PolarHBondContact O-NZ 3.48Å | ||
| 282 | Q | 94.4 | Very high | 77.8 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | trans | -86.7 | 155 | 176.6 | -55.8 | -170.5 | 31.4 | 0 | 0 | 111.7 | W284 Q285 F286 | Q282-W284 PolarHBondContact O-N 2.89Å; Q282-Q285 HydrophobicContact CB-CG 4.25Å; Q282-Q285 WeakPolarHBondContact O-CB 3.4Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.16Å; Q282-F286 PolarHBondContact O-N 2.9Å | ||
| 283 | L | 96.6 | Very high | 80.5 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | -175.7 | 176.4 | 59.3 | 0 | 0 | 0 | 112.6 | Q285 F286 L287 W321 L335 A338 L339 Y342 | L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 3.46Å; L283-F286 HydrophobicContact CD1-CD1 4.14Å; L283-F286 PolarHBondContact O-N 3.48Å; L283-L287 HydrophobicContact CD1-CD1 4.15Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 4.18Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 3.38Å; L283-W321 HydrophobicContact CB-CH2 3.84Å; L283-W321 HydrophobicContact CB-CZ2 3.73Å; L283-W321 HydrophobicContact CB-CZ3 4.38Å; L283-W321 HydrophobicContact CD1-CD2 3.72Å; L283-W321 HydrophobicContact CD1-CE3 4.04Å; L283-W321 HydrophobicContact CD1-CG 4.03Å; L283-W321 HydrophobicContact CD1-CZ2 4.26Å; L283-W321 HydrophobicContact CD1-CZ3 4.43Å; L283-W321 HydrophobicContact CG-CZ2 4.48Å; L283-L335 HydrophobicContact CD1-CD1 4.24Å; L283-L335 HydrophobicContact CD1-CG 4.3Å; L283-L335 HydrophobicContact CD2-CG 4.29Å; L283-A338 HydrophobicContact CD2-CB 3.53Å; L283-L339 HydrophobicContact CD2-CD2 3.54Å; L283-L339 HydrophobicContact CD2-CG 4.18Å; L283-L339 HydrophobicContact CG-CD2 3.98Å; L283-Y342 HydrophobicContact CB-CE2 4.05Å; L283-Y342 HydrophobicContact CD2-CE2 4.34Å; L283-Y342 HydrophobicContact CG-CE2 4.29Å; L283-Y342 PolarHBondContact N-OH 2.97Å |
| 284 | W | 96.3 | Very high | 82.9 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 175.7 | 67.7 | -99.2 | 0 | 0 | 0 | 112.5 | Q282 L288 Y342 I347 M348 F360 L365 A368 M369 | Q282-W284 PolarHBondContact O-N 2.89Å; W284-L288 HydrophobicContact CE3-CD1 3.96Å; W284-L288 HydrophobicContact CZ3-CD1 4.23Å; W284-L288 WeakPolarHBondContact O-CG 3.3Å; W284-L288 PolarHBondContact O-N 3.35Å; W284-L288 VanDerWaalsContact O-N 3.16Å; W284-Y342 HydrophobicContact CB-CE2 4.14Å; W284-Y342 AromaticContact CD1-CE1 3.9Å; W284-Y342 AromaticContact CD1-CZ 3.74Å; W284-Y342 PolarHBondContact N-OH 3.4Å; W284-I347 HydrophobicContact CB-CG2 3.95Å; W284-I347 HydrophobicContact CG-CG2 4.09Å; W284-M348 HydrophobicContact CB-CE 4.43Å; W284-F360 HydrophobicContact CB-CE1 4.2Å; W284-L365 HydrophobicContact CD2-CD1 3.97Å; W284-L365 HydrophobicContact CE3-CD1 3.35Å; W284-L365 HydrophobicContact CZ3-CD1 3.7Å; W284-A368 HydrophobicContact CZ2-CB 4.15Å; W284-M369 HydrophobicContact CH2-CB 4.27Å; W284-M369 HydrophobicContact CH2-CG 3.54Å; W284-M369 HydrophobicContact CZ3-CG 3.9Å |
| 285 | Q | 95.7 | Very high | 85 | Confident | 51 Ų | 51 | 59 Ų | 59 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 175.7 | -65.5 | 171.2 | -36.5 | 0 | 0 | 111.1 | I281 Q282 L283 L288 E289 S372 | I281-Q285 HydrophobicContact CD1-CB 4.11Å; I281-Q285 HydrophobicContact CG1-CB 3.74Å; Q282-Q285 HydrophobicContact CB-CG 4.25Å; Q282-Q285 WeakPolarHBondContact O-CB 3.4Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.16Å; L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 3.46Å; Q285-L288 PolarHBondContact O-N 2.97Å; Q285-E289 PolarHBondContact O-N 2.62Å; Q285-S372 PolarHBondContact NE2-OG 3.4Å |
| 286 | F | 96.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178.3 | 169 | -99.6 | 0 | 0 | 0 | 112.9 | I281 Q282 L283 E289 L290 R320 W321 R324 | I281-F286 HydrophobicContact CD1-CB 4.06Å; I281-F286 HydrophobicContact CG1-CB 4.38Å; Q282-F286 PolarHBondContact O-N 2.9Å; L283-F286 HydrophobicContact CD1-CD1 4.14Å; L283-F286 PolarHBondContact O-N 3.48Å; F286-E289 WeakPolarHBondContact O-CB 3.23Å; F286-E289 PolarHBondContact O-N 3.17Å; F286-L290 HydrophobicContact CD1-CD1 4.42Å; F286-L290 HydrophobicContact CE1-CD1 3.68Å; F286-L290 HydrophobicContact CE1-CG 4.38Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.5Å; F286-L290 HydrophobicContact CE2-CG 4.34Å; F286-L290 HydrophobicContact CZ-CD1 3.64Å; F286-L290 HydrophobicContact CZ-CD2 4.47Å; F286-L290 HydrophobicContact CZ-CG 4.13Å; F286-L290 PolarHBondContact O-N 3.37Å; F286-R320 HydrophobicContact CZ-CB 3.8Å; F286-W321 HydrophobicContact CB-CE3 3.9Å; F286-W321 HydrophobicContact CB-CZ3 3.72Å; F286-W321 HydrophobicContact CD1-CB 4.29Å; F286-W321 HydrophobicContact CD1-CD2 4.26Å; F286-W321 AromaticContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CZ3 4.25Å; F286-W321 HydrophobicContact CD2-CE3 4.18Å; F286-W321 HydrophobicContact CE1-CB 3.7Å; F286-W321 HydrophobicContact CE1-CE3 4.06Å; F286-W321 HydrophobicContact CE1-CG 4.44Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.13Å; F286-R324 HydrophobicContact CD2-CB 4.19Å; F286-R324 HydrophobicContact CD2-CG 3.85Å; F286-R324 HydrophobicContact CE2-CB 3.95Å; F286-R324 HydrophobicContact CE2-CG 4.1Å |
| 287 | L | 97.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176.2 | -69.5 | 171.7 | 0 | 0 | 0 | 111.8 | L283 E289 L290 L291 I300 F309 L311 V317 L339 M348 F360 | L283-L287 HydrophobicContact CD1-CD1 4.15Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 4.18Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 3.38Å; L287-E289 VanDerWaalsContact C-N 3.35Å; L287-L290 PolarHBondContact O-N 3.02Å; L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 WeakPolarHBondContact O-CD1 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 2.87Å; L287-I300 HydrophobicContact CB-CD1 4.45Å; L287-I300 HydrophobicContact CD2-CD1 3.61Å; L287-F309 HydrophobicContact CD1-CE2 4.3Å; L287-F309 HydrophobicContact CD1-CZ 4.18Å; L287-L311 HydrophobicContact CD2-CD2 4.47Å; L287-V317 HydrophobicContact CD2-CG1 3.85Å; L287-L339 HydrophobicContact CD1-CD2 3.64Å; L287-M348 HydrophobicContact CD1-CE 4.14Å; L287-F360 HydrophobicContact CB-CZ 4.2Å |
| 288 | L | 95.9 | Very high | 91.8 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 172.7 | -68.6 | 174.3 | 0 | 0 | 0 | 112.4 | W284 Q285 L291 A292 W302 F360 L365 | W284-L288 HydrophobicContact CE3-CD1 3.96Å; W284-L288 HydrophobicContact CZ3-CD1 4.23Å; W284-L288 WeakPolarHBondContact O-CG 3.3Å; W284-L288 PolarHBondContact O-N 3.35Å; W284-L288 VanDerWaalsContact O-N 3.16Å; Q285-L288 PolarHBondContact O-N 2.97Å; L288-L291 PolarHBondContact O-N 2.75Å; L288-A292 VanDerWaalsContact O-CB 3.31Å; L288-A292 WeakPolarHBondContact O-CB 3.3Å; L288-A292 PolarHBondContact O-N 2.8Å; L288-W302 HydrophobicContact CD2-CH2 3.79Å; L288-W302 HydrophobicContact CD2-CZ2 4.16Å; L288-F360 HydrophobicContact CD1-CE1 4.43Å; L288-F360 HydrophobicContact CD2-CD2 4.01Å; L288-F360 HydrophobicContact CD2-CE1 4.22Å; L288-F360 HydrophobicContact CD2-CE2 3.55Å; L288-F360 HydrophobicContact CD2-CZ 3.67Å; L288-F360 HydrophobicContact CG-CE1 4.12Å; L288-F360 HydrophobicContact CG-CE2 4.16Å; L288-F360 HydrophobicContact CG-CZ 3.74Å; L288-L365 HydrophobicContact CD1-CD1 4.14Å; L288-L365 HydrophobicContact CD1-CD2 4.13Å |
| 289 | E | 95.7 | Very high | 93.7 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.5 | -171 | -168.6 | 138.8 | 0 | 0 | 111.9 | I281 Q285 F286 L287 R324 | I281-E289 WeakPolarHBondContact CD1-OE2 2.97Å; Q285-E289 PolarHBondContact O-N 2.62Å; F286-E289 WeakPolarHBondContact O-CB 3.23Å; F286-E289 PolarHBondContact O-N 3.17Å; L287-E289 VanDerWaalsContact C-N 3.35Å; E289-R324 VanDerWaalsContact CD-NH1 3.32Å; E289-R324 IonicContact OE1-CZ 3.17Å; E289-R324 IonicContact OE1-NH1 2.84Å; E289-R324 PolarHBondContact OE1-NH1 2.91Å; E289-R324 IonicContact OE1-NH2 2.73Å; E289-R324 PolarHBondContact OE1-NH2 3.44Å; E289-R324 IonicContact OE2-CZ 2.73Å; E289-R324 IonicContact OE2-NH1 3.63Å; E289-R324 PolarHBondContact OE2-NH1 3.18Å; E289-R324 IonicContact OE2-NH2 3.14Å |
| 290 | L | 96.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 173.6 | -66.2 | -179.9 | 0 | 0 | 0 | 111.6 | F286 L287 A292 D293 N296 I300 | F286-L290 HydrophobicContact CD1-CD1 4.42Å; F286-L290 HydrophobicContact CE1-CD1 3.68Å; F286-L290 HydrophobicContact CE1-CG 4.38Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.5Å; F286-L290 HydrophobicContact CE2-CG 4.34Å; F286-L290 HydrophobicContact CZ-CD1 3.64Å; F286-L290 HydrophobicContact CZ-CD2 4.47Å; F286-L290 HydrophobicContact CZ-CG 4.13Å; F286-L290 PolarHBondContact O-N 3.37Å; L287-L290 PolarHBondContact O-N 3.02Å; L290-A292 PolarHBondContact O-N 3.18Å; L290-D293 PolarHBondContact O-N 3.2Å; L290-N296 HydrophobicContact CB-CB 4.41Å; L290-N296 WeakPolarHBondContact O-CB 3.38Å; L290-N296 PolarHBondContact O-ND2 2.84Å; L290-I300 HydrophobicContact CB-CG2 3.57Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.42Å |
| 291 | L | 96.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -15.5 | -178.6 | -80.8 | 166.7 | 0 | 0 | 0 | 114.7 | L287 L288 D293 I300 W302 F309 F360 | L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 WeakPolarHBondContact O-CD1 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 2.87Å; L288-L291 PolarHBondContact O-N 2.75Å; L291-D293 VanDerWaalsContact C-N 3.34Å; L291-I300 HydrophobicContact CD1-CD1 4Å; L291-I300 HydrophobicContact CD1-CG1 4.4Å; L291-I300 HydrophobicContact CD2-CD1 4.26Å; L291-I300 HydrophobicContact CD2-CG1 3.78Å; L291-I300 HydrophobicContact CG-CD1 3.83Å; L291-I300 HydrophobicContact CG-CG1 3.91Å; L291-W302 HydrophobicContact CB-CH2 4.45Å; L291-W302 HydrophobicContact CB-CZ2 3.63Å; L291-W302 HydrophobicContact CD1-CD2 4.45Å; L291-W302 HydrophobicContact CD1-CE3 4.44Å; L291-W302 HydrophobicContact CD1-CH2 3.87Å; L291-W302 HydrophobicContact CD1-CZ2 3.88Å; L291-W302 HydrophobicContact CD1-CZ3 4.15Å; L291-W302 HydrophobicContact CD2-CD2 3.95Å; L291-W302 HydrophobicContact CD2-CG 4.05Å; L291-W302 HydrophobicContact CD2-CZ2 4.43Å; L291-W302 HydrophobicContact CG-CZ2 4.2Å; L291-W302 PolarHBondContact O-NE1 2.99Å; L291-F309 HydrophobicContact CD1-CB 3.79Å; L291-F309 HydrophobicContact CD1-CD1 4.26Å; L291-F309 HydrophobicContact CD1-CD2 3.93Å; L291-F309 HydrophobicContact CD1-CG 3.75Å; L291-F309 HydrophobicContact CD2-CB 4.02Å; L291-F360 HydrophobicContact CD1-CE2 3.93Å |
| 292 | A | 94.8 | Very high | 95.7 | Very high | 83 Ų | 83 | 44.2 Ų | 44.2 | 69% | 0.686 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -13.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L288 L290 | L288-A292 VanDerWaalsContact O-CB 3.31Å; L288-A292 WeakPolarHBondContact O-CB 3.3Å; L288-A292 PolarHBondContact O-N 2.8Å; L290-A292 PolarHBondContact O-N 3.18Å |
| 293 | D | 94 | Very high | 95.6 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | trans | -120.1 | 114.9 | -177.8 | 178.4 | -2.1 | 0 | 0 | 0 | 110.6 | L290 L291 Q295 N296 | L290-D293 PolarHBondContact O-N 3.2Å; L291-D293 VanDerWaalsContact C-N 3.34Å; D293-Q295 PolarHBondContact O-N 3.3Å; D293-Q295 VanDerWaalsContact O-N 3.09Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.5Å; D293-Q295 WeakPolarHBondContact OD1-CG 3.33Å; D293-Q295 PolarHBondContact OD1-N 3.28Å; D293-N296 WeakPolarHBondContact O-CB 3.48Å; D293-N296 PolarHBondContact O-N 3.01Å; D293-N296 PolarHBondContact O-ND2 3.33Å | ||
| 294 | S | 91.6 | Very high | 95.1 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -59.4 | -19.9 | -177.8 | 59.2 | 0 | 0 | 0 | 0 | 114 | N296 I297 | S294-N296 PolarHBondContact O-N 3.36Å; S294-N296 VanDerWaalsContact O-N 3.16Å; S294-I297 VanDerWaalsContact O-CD1 3.3Å; S294-I297 WeakPolarHBondContact O-CD1 3.41Å; S294-I297 VanDerWaalsContact O-CG1 3.23Å; S294-I297 WeakPolarHBondContact O-CG1 3.44Å; S294-I297 PolarHBondContact O-N 2.94Å |
| 295 | Q | 93.8 | Very high | 94.5 | Very high | 152 Ų | 152 | 52 Ų | 52 | 71% | 0.71 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -66.2 | -13.7 | 174.9 | -57.8 | -54.8 | -69.4 | 0 | 0 | 112.9 | D293 | D293-Q295 PolarHBondContact O-N 3.3Å; D293-Q295 VanDerWaalsContact O-N 3.09Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.5Å; D293-Q295 WeakPolarHBondContact OD1-CG 3.33Å; D293-Q295 PolarHBondContact OD1-N 3.28Å |
| 296 | N | 94.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -92.5 | -1.2 | -179.8 | -57.5 | -52 | 0 | 0 | 0 | 114.8 | L290 D293 S294 A298 C299 I300 R320 | L290-N296 HydrophobicContact CB-CB 4.41Å; L290-N296 WeakPolarHBondContact O-CB 3.38Å; L290-N296 PolarHBondContact O-ND2 2.84Å; D293-N296 WeakPolarHBondContact O-CB 3.48Å; D293-N296 PolarHBondContact O-N 3.01Å; D293-N296 PolarHBondContact O-ND2 3.33Å; S294-N296 PolarHBondContact O-N 3.36Å; S294-N296 VanDerWaalsContact O-N 3.16Å; N296-A298 PolarHBondContact O-N 2.97Å; N296-C299 PolarHBondContact O-N 2.83Å; N296-I300 CarbonylContact C-O 3.57Å; N296-I300 HydrophobicContact CB-CG2 4.18Å; N296-I300 PolarHBondContact O-N 3.08Å; N296-I300 VanDerWaalsContact O-O 3.09Å; N296-R320 PolarHBondContact OD1-NH1 3.33Å |
| 297 | I | 94.8 | Very high | 94 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.8 | -178.6 | -71.6 | 167.8 | 0 | 0 | 0 | 112.7 | S294 C299 I300 T312 | S294-I297 VanDerWaalsContact O-CD1 3.3Å; S294-I297 WeakPolarHBondContact O-CD1 3.41Å; S294-I297 VanDerWaalsContact O-CG1 3.23Å; S294-I297 WeakPolarHBondContact O-CG1 3.44Å; S294-I297 PolarHBondContact O-N 2.94Å; I297-C299 PolarHBondContact O-N 2.69Å; I297-I300 WeakPolarHBondContact CA-O 3.4Å; I297-T312 PolarHBondContact O-OG1 2.9Å |
| 298 | A | 95.7 | Very high | 93.9 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | N296 T312 | N296-A298 PolarHBondContact O-N 2.97Å; A298-T312 PolarHBondContact O-OG1 3.13Å |
| 299 | C | 96.8 | Very high | 94 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -25.5 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 114.8 | N296 I297 L311 T312 D313 E316 V317 | N296-C299 PolarHBondContact O-N 2.83Å; I297-C299 PolarHBondContact O-N 2.69Å; C299-L311 CarbonylContact O-C 3.56Å; C299-L311 WeakPolarHBondContact O-CA 3.43Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.37Å; C299-T312 PolarHBondContact N-OG1 3.35Å; C299-T312 PolarHBondContact O-N 2.95Å; C299-T312 PolarHBondContact O-OG1 3.39Å; C299-D313 HydrophobicContact CB-CB 3.91Å; C299-D313 PolarHBondContact O-N 2.98Å; C299-D313 VanDerWaalsContact O-N 3.1Å; C299-E316 HydrophobicContact CB-CB 3.95Å; C299-E316 HydrophobicContact CB-CG 3.65Å; C299-V317 HydrophobicContact CB-CG2 3.95Å; C299-V317 VanDerWaalsContact O-CG2 3.27Å; C299-V317 WeakPolarHBondContact O-CG2 3.3Å |
| 300 | I | 97.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 133.2 | 174.7 | -171.7 | 172.5 | 0 | 0 | 0 | 112.3 | L287 L290 L291 N296 I297 F309 K310 L311 T312 V317 | L287-I300 HydrophobicContact CB-CD1 4.45Å; L287-I300 HydrophobicContact CD2-CD1 3.61Å; L290-I300 HydrophobicContact CB-CG2 3.57Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.42Å; L291-I300 HydrophobicContact CD1-CD1 4Å; L291-I300 HydrophobicContact CD1-CG1 4.4Å; L291-I300 HydrophobicContact CD2-CD1 4.26Å; L291-I300 HydrophobicContact CD2-CG1 3.78Å; L291-I300 HydrophobicContact CG-CD1 3.83Å; L291-I300 HydrophobicContact CG-CG1 3.91Å; N296-I300 CarbonylContact C-O 3.57Å; N296-I300 HydrophobicContact CB-CG2 4.18Å; N296-I300 PolarHBondContact O-N 3.08Å; N296-I300 VanDerWaalsContact O-O 3.09Å; I297-I300 WeakPolarHBondContact CA-O 3.4Å; I300-F309 HydrophobicContact CD1-CD2 3.92Å; I300-F309 HydrophobicContact CD1-CE2 4.13Å; I300-F309 HydrophobicContact CG1-CD2 4.2Å; I300-K310 WeakPolarHBondContact CA-O 3.28Å; I300-L311 HydrophobicContact CB-CD2 4.42Å; I300-L311 HydrophobicContact CD1-CD2 3.57Å; I300-L311 HydrophobicContact CG1-CD2 3.83Å; I300-T312 PolarHBondContact N-OG1 3.47Å; I300-V317 HydrophobicContact CB-CG2 3.92Å; I300-V317 HydrophobicContact CG2-CG2 4.35Å |
| 301 | T | 96.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 55 Ų | 55 | 20% | 0.202 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.6 | 179.9 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | F309 K310 T312 | T301-F309 CarbonylContact O-C 3.55Å; T301-F309 VanDerWaalsContact O-CA 3.3Å; T301-F309 WeakPolarHBondContact O-CA 3.22Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; T301-K310 PolarHBondContact N-O 3.21Å; T301-K310 PolarHBondContact O-N 3.28Å; T301-T312 HydrophobicContact CG2-CG2 3.95Å |
| 302 | W | 96.5 | Very high | 94.1 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 137.8 | 159.2 | -59.2 | 105.4 | 0 | 0 | 0 | 109.3 | L288 L291 E308 F309 F360 | L288-W302 HydrophobicContact CD2-CH2 3.79Å; L288-W302 HydrophobicContact CD2-CZ2 4.16Å; L291-W302 HydrophobicContact CB-CH2 4.45Å; L291-W302 HydrophobicContact CB-CZ2 3.63Å; L291-W302 HydrophobicContact CD1-CD2 4.45Å; L291-W302 HydrophobicContact CD1-CE3 4.44Å; L291-W302 HydrophobicContact CD1-CH2 3.87Å; L291-W302 HydrophobicContact CD1-CZ2 3.88Å; L291-W302 HydrophobicContact CD1-CZ3 4.15Å; L291-W302 HydrophobicContact CD2-CD2 3.95Å; L291-W302 HydrophobicContact CD2-CG 4.05Å; L291-W302 HydrophobicContact CD2-CZ2 4.43Å; L291-W302 HydrophobicContact CG-CZ2 4.2Å; L291-W302 PolarHBondContact O-NE1 2.99Å; W302-E308 WeakPolarHBondContact CA-O 3.37Å; W302-F309 HydrophobicContact CE3-CB 3.89Å; W302-F309 HydrophobicContact CZ3-CB 4.2Å; W302-F309 HydrophobicContact CZ3-CD1 4.49Å; W302-F360 AromaticContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CE2 4.12Å; W302-F360 AromaticContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CE2 4.33Å |
| 303 | E | 92.5 | Very high | 94.3 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | trans | -158.9 | 104.1 | 177 | -169.6 | -142.9 | 88.6 | 0 | 0 | 111.5 | E308 K310 K354 | E303-E308 PolarHBondContact N-O 3.34Å; E303-E308 WeakPolarHBondContact O-CB 3.3Å; E303-K310 HydrophobicContact CB-CB 4.2Å; E303-K310 WeakPolarHBondContact OE2-CD 3.48Å; E303-K310 WeakPolarHBondContact OE2-CE 3.47Å; E303-K310 IonicContact OE2-NZ 3.2Å; E303-K310 PolarHBondContact OE2-NZ 2.97Å; E303-K354 PolarHBondContact O-NZ 3.16Å; E303-K354 WeakPolarHBondContact OE1-CD 3.45Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.39Å; E303-K354 PolarHBondContact OE1-NZ 2.88Å | ||
| 304 | G | 86.9 | Confident | 94.5 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 128.1 | -141.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 305 | N | 83.7 | Confident | 94.8 | Very high | 121 Ų | 121 | 55.1 Ų | 55.1 | 65% | 0.647 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -78.9 | 177.3 | 175.9 | -69.7 | 94.5 | 0 | 0 | 0 | 112.1 | G307 E308 | N305-G307 PolarHBondContact O-N 3.03Å; N305-E308 HydrophobicContact CB-CG 4.35Å; N305-E308 PolarHBondContact N-OE2 3Å; N305-E308 VanDerWaalsContact O-CB 3.22Å; N305-E308 WeakPolarHBondContact O-CB 3.3Å; N305-E308 WeakPolarHBondContact O-CG 3.13Å; N305-E308 PolarHBondContact O-N 3.04Å |
| 306 | D | 87.5 | Confident | 95 | Very high | 107 Ų | 107 | 49.9 Ų | 49.9 | 57% | 0.572 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 121.9 | -176.1 | -55 | -4.7 | 0 | 0 | 0 | 112.8 | F234 E308 F362 | F234-D306 HydrophobicContact CE1-CB 4.02Å; F234-D306 WeakPolarHBondContact CZ-OD1 3.42Å; D306-E308 VanDerWaalsContact C-N 3.29Å; D306-E308 PolarHBondContact O-N 3.16Å; D306-F362 HydrophobicContact CB-CE2 4.45Å |
| 307 | G | 92.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 0.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N305 R359 F360 | N305-G307 PolarHBondContact O-N 3.03Å; G307-R359 WeakPolarHBondContact O-CA 3.4Å; G307-F360 PolarHBondContact O-N 2.68Å |
| 308 | E | 96.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.5 | 175.5 | -61.3 | -160.7 | 160.1 | 0 | 0 | 112 | W302 E303 N305 D306 V351 K354 Y358 R359 | W302-E308 WeakPolarHBondContact CA-O 3.37Å; E303-E308 PolarHBondContact N-O 3.34Å; E303-E308 WeakPolarHBondContact O-CB 3.3Å; N305-E308 HydrophobicContact CB-CG 4.35Å; N305-E308 PolarHBondContact N-OE2 3Å; N305-E308 VanDerWaalsContact O-CB 3.22Å; N305-E308 WeakPolarHBondContact O-CB 3.3Å; N305-E308 WeakPolarHBondContact O-CG 3.13Å; N305-E308 PolarHBondContact O-N 3.04Å; D306-E308 VanDerWaalsContact C-N 3.29Å; D306-E308 PolarHBondContact O-N 3.16Å; E308-V351 HydrophobicContact CG-CG2 4.34Å; E308-K354 IonicContact OE2-NZ 2.78Å; E308-Y358 WeakPolarHBondContact CA-O 3.43Å; E308-R359 HydrophobicContact CG-CB 3.89Å; E308-R359 VanDerWaalsContact CG-CD 3.49Å; E308-R359 HydrophobicContact CG-CG 3.66Å; E308-R359 IonicContact OE1-CZ 2.67Å; E308-R359 IonicContact OE1-NH1 2.72Å; E308-R359 PolarHBondContact OE1-NH1 3.39Å |
| 309 | F | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 162.2 | 179.4 | 73.1 | -85.3 | 0 | 0 | 0 | 111.3 | L287 L291 I300 T301 W302 L311 M348 A357 Y358 F360 | L287-F309 HydrophobicContact CD1-CE2 4.3Å; L287-F309 HydrophobicContact CD1-CZ 4.18Å; L291-F309 HydrophobicContact CD1-CB 3.79Å; L291-F309 HydrophobicContact CD1-CD1 4.26Å; L291-F309 HydrophobicContact CD1-CD2 3.93Å; L291-F309 HydrophobicContact CD1-CG 3.75Å; L291-F309 HydrophobicContact CD2-CB 4.02Å; I300-F309 HydrophobicContact CD1-CD2 3.92Å; I300-F309 HydrophobicContact CD1-CE2 4.13Å; I300-F309 HydrophobicContact CG1-CD2 4.2Å; T301-F309 CarbonylContact O-C 3.55Å; T301-F309 VanDerWaalsContact O-CA 3.3Å; T301-F309 WeakPolarHBondContact O-CA 3.22Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; W302-F309 HydrophobicContact CE3-CB 3.89Å; W302-F309 HydrophobicContact CZ3-CB 4.2Å; W302-F309 HydrophobicContact CZ3-CD1 4.49Å; F309-L311 HydrophobicContact CD2-CD2 4.28Å; F309-L311 HydrophobicContact CE2-CD2 4.03Å; F309-M348 HydrophobicContact CZ-CE 4.25Å; F309-A357 CarbonylContact O-C 3.59Å; F309-A357 VanDerWaalsContact O-CA 3.3Å; F309-A357 WeakPolarHBondContact O-CA 3.36Å; F309-Y358 WeakPolarHBondContact CD1-O 3.45Å; F309-Y358 HydrophobicContact CE2-CD2 4.29Å; F309-Y358 HydrophobicContact CE2-CG 4.49Å; F309-Y358 VanDerWaalsContact CZ-CB 3.47Å; F309-Y358 HydrophobicContact CZ-CD2 4.44Å; F309-Y358 HydrophobicContact CZ-CG 4.19Å; F309-Y358 PolarHBondContact N-O 2.9Å; F309-Y358 PolarHBondContact O-N 3.09Å; F309-Y358 VanDerWaalsContact O-O 3.06Å; F309-F360 AromaticContact CD1-CD2 3.55Å; F309-F360 HydrophobicContact CD1-CD2 3.55Å; F309-F360 AromaticContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CE2 3.46Å; F309-F360 VanDerWaalsContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CZ 4.46Å; F309-F360 AromaticContact CE1-CD2 3.45Å; F309-F360 HydrophobicContact CE1-CD2 3.45Å; F309-F360 VanDerWaalsContact CE1-CD2 3.45Å; F309-F360 AromaticContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CG 4.24Å; F309-F360 AromaticContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CG-CE2 4.31Å; F309-F360 AromaticContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CZ 4.14Å |
| 310 | K | 97 | Very high | 95.4 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.4 | -175.4 | 178.4 | -179.6 | 175.5 | -168.8 | 0 | 110.1 | I300 T301 E303 T312 Y356 A357 | I300-K310 WeakPolarHBondContact CA-O 3.28Å; T301-K310 PolarHBondContact N-O 3.21Å; T301-K310 PolarHBondContact O-N 3.28Å; E303-K310 HydrophobicContact CB-CB 4.2Å; E303-K310 WeakPolarHBondContact OE2-CD 3.48Å; E303-K310 WeakPolarHBondContact OE2-CE 3.47Å; E303-K310 IonicContact OE2-NZ 3.2Å; E303-K310 PolarHBondContact OE2-NZ 2.97Å; K310-T312 PolarHBondContact O-N 3.3Å; K310-Y356 WeakPolarHBondContact CA-O 3.32Å; K310-A357 HydrophobicContact CB-CB 4.43Å |
| 311 | L | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 108.8 | 167 | -39.1 | -176.7 | 0 | 0 | 0 | 107 | L287 C299 I300 F309 P314 V317 Y332 L335 Y356 Y358 | L287-L311 HydrophobicContact CD2-CD2 4.47Å; C299-L311 CarbonylContact O-C 3.56Å; C299-L311 WeakPolarHBondContact O-CA 3.43Å; I300-L311 HydrophobicContact CB-CD2 4.42Å; I300-L311 HydrophobicContact CD1-CD2 3.57Å; I300-L311 HydrophobicContact CG1-CD2 3.83Å; F309-L311 HydrophobicContact CD2-CD2 4.28Å; F309-L311 HydrophobicContact CE2-CD2 4.03Å; L311-P314 HydrophobicContact CB-CB 4.07Å; L311-P314 HydrophobicContact CD1-CB 4.07Å; L311-V317 HydrophobicContact CD1-CG1 4.47Å; L311-V317 HydrophobicContact CD2-CG1 4.21Å; L311-V317 HydrophobicContact CD2-CG2 4.34Å; L311-Y332 HydrophobicContact CD1-CD2 4.13Å; L311-Y332 HydrophobicContact CD1-CE2 3.86Å; L311-L335 HydrophobicContact CD1-CD2 4.39Å; L311-Y356 PolarHBondContact N-O 3.37Å; L311-Y356 WeakPolarHBondContact O-CB 3.4Å; L311-Y358 HydrophobicContact CD1-CE2 4.48Å |
| 312 | T | 97.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -73 | -38.9 | 174.3 | 29.3 | 0 | 0 | 0 | 0 | 110.5 | I297 A298 C299 I300 T301 K310 | I297-T312 PolarHBondContact O-OG1 2.9Å; A298-T312 PolarHBondContact O-OG1 3.13Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.37Å; C299-T312 PolarHBondContact N-OG1 3.35Å; C299-T312 PolarHBondContact O-N 2.95Å; C299-T312 PolarHBondContact O-OG1 3.39Å; I300-T312 PolarHBondContact N-OG1 3.47Å; T301-T312 HydrophobicContact CG2-CG2 3.95Å; K310-T312 PolarHBondContact O-N 3.3Å |
| 313 | D | 97.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -122.5 | 99.2 | 164.2 | -174.5 | -22.6 | 0 | 0 | 0 | 109 | C299 D315 E316 V317 | C299-D313 HydrophobicContact CB-CB 3.91Å; C299-D313 PolarHBondContact O-N 2.98Å; C299-D313 VanDerWaalsContact O-N 3.1Å; D313-D315 VanDerWaalsContact C-N 3.26Å; D313-D315 PolarHBondContact O-N 3.24Å; D313-D315 PolarHBondContact OD1-N 2.91Å; D313-E316 HydrophobicContact CB-CB 4Å; D313-E316 VanDerWaalsContact CG-CB 3.48Å; D313-E316 PolarHBondContact OD1-N 3.34Å; D313-E316 WeakPolarHBondContact OD2-CB 3.42Å; D313-V317 VanDerWaalsContact O-CG2 3.31Å; D313-V317 WeakPolarHBondContact O-CG2 3.4Å; D313-V317 PolarHBondContact O-N 2.73Å |
| 314 | P | 97.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.8 | -22.1 | -178.9 | 29 | -35.2 | 0 | 0 | 0 | 113.8 | L311 A318 Y332 Y356 | L311-P314 HydrophobicContact CB-CB 4.07Å; L311-P314 HydrophobicContact CD1-CB 4.07Å; P314-A318 WeakPolarHBondContact O-CB 3.41Å; P314-A318 PolarHBondContact O-N 3.31Å; P314-Y332 HydrophobicContact CB-CD2 3.51Å; P314-Y332 HydrophobicContact CB-CE2 4.01Å; P314-Y332 HydrophobicContact CB-CG 3.83Å; P314-Y356 HydrophobicContact CB-CD1 3.83Å; P314-Y356 HydrophobicContact CB-CE1 4.06Å; P314-Y356 HydrophobicContact CB-CG 4.27Å; P314-Y356 HydrophobicContact CG-CD1 3.95Å; P314-Y356 HydrophobicContact CG-CD2 4.33Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.21Å; P314-Y356 HydrophobicContact CG-CG 4.21Å |
| 315 | D | 98.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -90.7 | -34.5 | -176.8 | -73.9 | -53.4 | 0 | 0 | 0 | 111.5 | D313 A318 R319 Y332 | D313-D315 VanDerWaalsContact C-N 3.26Å; D313-D315 PolarHBondContact O-N 3.24Å; D313-D315 PolarHBondContact OD1-N 2.91Å; D315-A318 CarbonylContact O-C 3.43Å; D315-A318 PolarHBondContact O-N 3.29Å; D315-R319 WeakPolarHBondContact O-CB 3.31Å; D315-R319 PolarHBondContact O-N 3.34Å; D315-Y332 VanDerWaalsContact OD1-CB 3.3Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.38Å; D315-Y332 PolarHBondContact OD1-N 3.26Å |
| 316 | E | 98 | Very high | 96.3 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 166.9 | 171.9 | 60.4 | -176.8 | 0 | 0 | 111.6 | C299 D313 A318 R319 R320 | C299-E316 HydrophobicContact CB-CB 3.95Å; C299-E316 HydrophobicContact CB-CG 3.65Å; D313-E316 HydrophobicContact CB-CB 4Å; D313-E316 VanDerWaalsContact CG-CB 3.48Å; D313-E316 PolarHBondContact OD1-N 3.34Å; D313-E316 WeakPolarHBondContact OD2-CB 3.42Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 3.29Å; E316-R319 PolarHBondContact O-N 3.39Å; E316-R319 IonicContact OE1-CZ 3.21Å; E316-R319 IonicContact OE1-NE 2.69Å; E316-R319 IonicContact OE1-NH2 3.79Å; E316-R319 PolarHBondContact OE1-NH2 2.94Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.7Å; E316-R319 PolarHBondContact OE2-NE 3.29Å; E316-R319 IonicContact OE2-NH2 3.76Å; E316-R319 PolarHBondContact OE2-NH2 2.9Å; E316-R319 VanDerWaalsContact OE2-NH2 3.14Å; E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.9Å; E316-R320 IonicContact OE1-CZ 3.6Å; E316-R320 IonicContact OE1-NE 2.72Å; E316-R320 PolarHBondContact OE1-NE 3.29Å; E316-R320 IonicContact OE1-NH2 3.56Å; E316-R320 PolarHBondContact OE1-NH2 3.15Å |
| 317 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L287 C299 I300 L311 D313 W321 L335 | L287-V317 HydrophobicContact CD2-CG1 3.85Å; C299-V317 HydrophobicContact CB-CG2 3.95Å; C299-V317 VanDerWaalsContact O-CG2 3.27Å; C299-V317 WeakPolarHBondContact O-CG2 3.3Å; I300-V317 HydrophobicContact CB-CG2 3.92Å; I300-V317 HydrophobicContact CG2-CG2 4.35Å; L311-V317 HydrophobicContact CD1-CG1 4.47Å; L311-V317 HydrophobicContact CD2-CG1 4.21Å; L311-V317 HydrophobicContact CD2-CG2 4.34Å; D313-V317 VanDerWaalsContact O-CG2 3.31Å; D313-V317 WeakPolarHBondContact O-CG2 3.4Å; D313-V317 PolarHBondContact O-N 2.73Å; V317-W321 WeakPolarHBondContact O-CB 3.5Å; V317-W321 PolarHBondContact O-N 2.73Å; V317-L335 HydrophobicContact CG1-CD1 4.01Å |
| 318 | A | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P314 D315 E316 W321 G322 M330 L335 | P314-A318 WeakPolarHBondContact O-CB 3.41Å; P314-A318 PolarHBondContact O-N 3.31Å; D315-A318 CarbonylContact O-C 3.43Å; D315-A318 PolarHBondContact O-N 3.29Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 3.29Å; A318-W321 PolarHBondContact O-N 3.05Å; A318-G322 PolarHBondContact O-N 3.06Å; A318-M330 HydrophobicContact CB-CG 4.48Å; A318-M330 WeakPolarHBondContact O-CG 3.49Å; A318-L335 HydrophobicContact CB-CB 4.35Å; A318-L335 HydrophobicContact CB-CD1 4.14Å |
| 319 | R | 97.9 | Very high | 96.6 | Very high | 116 Ų | 116 | 61 Ų | 61 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -49.9 | 175 | -168.2 | -161.1 | 62.6 | 67 | 6.6 | 110.8 | D315 E316 W321 G322 E323 | D315-R319 WeakPolarHBondContact O-CB 3.31Å; D315-R319 PolarHBondContact O-N 3.34Å; E316-R319 PolarHBondContact O-N 3.39Å; E316-R319 IonicContact OE1-CZ 3.21Å; E316-R319 IonicContact OE1-NE 2.69Å; E316-R319 IonicContact OE1-NH2 3.79Å; E316-R319 PolarHBondContact OE1-NH2 2.94Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.7Å; E316-R319 PolarHBondContact OE2-NE 3.29Å; E316-R319 IonicContact OE2-NH2 3.76Å; E316-R319 PolarHBondContact OE2-NH2 2.9Å; E316-R319 VanDerWaalsContact OE2-NH2 3.14Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.01Å; R319-G322 WeakPolarHBondContact O-CA 3.32Å; R319-G322 PolarHBondContact O-N 2.78Å; R319-G322 VanDerWaalsContact O-N 3.13Å; R319-E323 IonicContact CZ-OE2 2.69Å; R319-E323 IonicContact NH1-OE2 3.79Å; R319-E323 PolarHBondContact NH1-OE2 3.1Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 WeakPolarHBondContact O-CB 3.46Å; R319-E323 PolarHBondContact O-N 2.88Å |
| 320 | R | 97 | Very high | 96.6 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 176.1 | -69.3 | -176 | -174.5 | -161.5 | 5.6 | 112.7 | F286 N296 E316 R324 | F286-R320 HydrophobicContact CZ-CB 3.8Å; N296-R320 PolarHBondContact OD1-NH1 3.33Å; E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.9Å; E316-R320 IonicContact OE1-CZ 3.6Å; E316-R320 IonicContact OE1-NE 2.72Å; E316-R320 PolarHBondContact OE1-NE 3.29Å; E316-R320 IonicContact OE1-NH2 3.56Å; E316-R320 PolarHBondContact OE1-NH2 3.15Å; R320-R324 VanDerWaalsContact O-CB 3.23Å; R320-R324 WeakPolarHBondContact O-CB 3.5Å; R320-R324 PolarHBondContact O-N 2.92Å |
| 321 | W | 97.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 173.1 | 176.7 | -123.4 | 0 | 0 | 0 | 112.2 | I281 L283 F286 V317 A318 R319 R324 K325 L335 | I281-W321 HydrophobicContact CG2-CZ3 4.29Å; L283-W321 HydrophobicContact CB-CH2 3.84Å; L283-W321 HydrophobicContact CB-CZ2 3.73Å; L283-W321 HydrophobicContact CB-CZ3 4.38Å; L283-W321 HydrophobicContact CD1-CD2 3.72Å; L283-W321 HydrophobicContact CD1-CE3 4.04Å; L283-W321 HydrophobicContact CD1-CG 4.03Å; L283-W321 HydrophobicContact CD1-CZ2 4.26Å; L283-W321 HydrophobicContact CD1-CZ3 4.43Å; L283-W321 HydrophobicContact CG-CZ2 4.48Å; F286-W321 HydrophobicContact CB-CE3 3.9Å; F286-W321 HydrophobicContact CB-CZ3 3.72Å; F286-W321 HydrophobicContact CD1-CB 4.29Å; F286-W321 HydrophobicContact CD1-CD2 4.26Å; F286-W321 AromaticContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CE3 3.54Å; F286-W321 HydrophobicContact CD1-CZ3 4.25Å; F286-W321 HydrophobicContact CD2-CE3 4.18Å; F286-W321 HydrophobicContact CE1-CB 3.7Å; F286-W321 HydrophobicContact CE1-CE3 4.06Å; F286-W321 HydrophobicContact CE1-CG 4.44Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.13Å; V317-W321 WeakPolarHBondContact O-CB 3.5Å; V317-W321 PolarHBondContact O-N 2.73Å; A318-W321 PolarHBondContact O-N 3.05Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.01Å; W321-R324 PolarHBondContact O-N 3Å; W321-K325 HydrophobicContact CD2-CG 3.91Å; W321-K325 HydrophobicContact CE3-CD 4.34Å; W321-K325 HydrophobicContact CE3-CG 3.82Å; W321-K325 HydrophobicContact CH2-CD 3.5Å; W321-K325 VanDerWaalsContact CH2-CD 3.5Å; W321-K325 HydrophobicContact CH2-CG 3.61Å; W321-K325 HydrophobicContact CZ2-CD 3.99Å; W321-K325 HydrophobicContact CZ2-CG 3.67Å; W321-K325 HydrophobicContact CZ3-CD 3.7Å; W321-K325 HydrophobicContact CZ3-CG 3.68Å; W321-K325 WeakPolarHBondContact O-CG 3.28Å; W321-K325 PolarHBondContact O-N 3.26Å; W321-K325 VanDerWaalsContact O-N 3.15Å; W321-L335 HydrophobicContact CB-CD1 3.85Å; W321-L335 HydrophobicContact CG-CD1 4.06Å |
| 322 | G | 96.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.8 | -52.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A318 R319 R324 K325 S326 K327 M330 | A318-G322 PolarHBondContact O-N 3.06Å; R319-G322 WeakPolarHBondContact O-CA 3.32Å; R319-G322 PolarHBondContact O-N 2.78Å; R319-G322 VanDerWaalsContact O-N 3.13Å; G322-R324 PolarHBondContact O-N 3.39Å; G322-K325 CarbonylContact O-C 3.4Å; G322-K325 PolarHBondContact O-N 3.39Å; G322-K325 VanDerWaalsContact O-N 3.12Å; G322-S326 CarbonylContact O-C 3.57Å; G322-S326 WeakPolarHBondContact O-CA 3.1Å; G322-S326 PolarHBondContact O-N 2.94Å; G322-K327 VanDerWaalsContact CA-O 3.24Å; G322-K327 WeakPolarHBondContact CA-O 3.22Å; G322-K327 PolarHBondContact O-N 2.89Å; G322-M330 VanDerWaalsContact CA-CB 3.49Å |
| 323 | E | 95.8 | Very high | 96.7 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -53.5 | -50.3 | 173.7 | -179 | 171.5 | -153.6 | 0 | 0 | 111.8 | R319 K325 S326 | R319-E323 IonicContact CZ-OE2 2.69Å; R319-E323 IonicContact NH1-OE2 3.79Å; R319-E323 PolarHBondContact NH1-OE2 3.1Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 WeakPolarHBondContact O-CB 3.46Å; R319-E323 PolarHBondContact O-N 2.88Å; E323-K325 PolarHBondContact O-N 3.34Å; E323-K325 VanDerWaalsContact O-N 3.12Å; E323-S326 PolarHBondContact O-N 3.16Å |
| 324 | R | 94.9 | Very high | 96.7 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -21.2 | 178.7 | -176.1 | 59.2 | 69.8 | 89.7 | 2 | 114.4 | I281 F286 E289 R320 W321 G322 | I281-R324 HydrophobicContact CG2-CG 3.6Å; F286-R324 HydrophobicContact CD2-CB 4.19Å; F286-R324 HydrophobicContact CD2-CG 3.85Å; F286-R324 HydrophobicContact CE2-CB 3.95Å; F286-R324 HydrophobicContact CE2-CG 4.1Å; E289-R324 VanDerWaalsContact CD-NH1 3.32Å; E289-R324 IonicContact OE1-CZ 3.17Å; E289-R324 IonicContact OE1-NH1 2.84Å; E289-R324 PolarHBondContact OE1-NH1 2.91Å; E289-R324 IonicContact OE1-NH2 2.73Å; E289-R324 PolarHBondContact OE1-NH2 3.44Å; E289-R324 IonicContact OE2-CZ 2.73Å; E289-R324 IonicContact OE2-NH1 3.63Å; E289-R324 PolarHBondContact OE2-NH1 3.18Å; E289-R324 IonicContact OE2-NH2 3.14Å; R320-R324 VanDerWaalsContact O-CB 3.23Å; R320-R324 WeakPolarHBondContact O-CB 3.5Å; R320-R324 PolarHBondContact O-N 2.92Å; W321-R324 PolarHBondContact O-N 3Å; G322-R324 PolarHBondContact O-N 3.39Å |
| 325 | K | 94.4 | Very high | 96.7 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 26% | 0.261 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 8.5 | -179 | -58.8 | -64.8 | -74.1 | -170.8 | 0 | 113.2 | G279 I281 W321 G322 E323 K327 | G279-K325 WeakPolarHBondContact O-CD 3.27Å; G279-K325 WeakPolarHBondContact O-CE 3.46Å; G279-K325 PolarHBondContact O-NZ 3.29Å; I281-K325 HydrophobicContact CG2-CD 4.38Å; I281-K325 PolarHBondContact O-NZ 3.48Å; W321-K325 HydrophobicContact CD2-CG 3.91Å; W321-K325 HydrophobicContact CE3-CD 4.34Å; W321-K325 HydrophobicContact CE3-CG 3.82Å; W321-K325 HydrophobicContact CH2-CD 3.5Å; W321-K325 VanDerWaalsContact CH2-CD 3.5Å; W321-K325 HydrophobicContact CH2-CG 3.61Å; W321-K325 HydrophobicContact CZ2-CD 3.99Å; W321-K325 HydrophobicContact CZ2-CG 3.67Å; W321-K325 HydrophobicContact CZ3-CD 3.7Å; W321-K325 HydrophobicContact CZ3-CG 3.68Å; W321-K325 WeakPolarHBondContact O-CG 3.28Å; W321-K325 PolarHBondContact O-N 3.26Å; W321-K325 VanDerWaalsContact O-N 3.15Å; G322-K325 CarbonylContact O-C 3.4Å; G322-K325 PolarHBondContact O-N 3.39Å; G322-K325 VanDerWaalsContact O-N 3.12Å; E323-K325 PolarHBondContact O-N 3.34Å; E323-K325 VanDerWaalsContact O-N 3.12Å; K325-K327 HydrophobicContact CB-CG 4.28Å; K325-K327 WeakPolarHBondContact O-CG 3.29Å; K325-K327 PolarHBondContact O-N 2.71Å |
| 326 | S | 93 | Very high | 96.7 | Very high | 111 Ų | 111 | 63.2 Ų | 63.2 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36 | -172.9 | -52.9 | 0 | 0 | 0 | 0 | 114.1 | G322 E323 P328 | G322-S326 CarbonylContact O-C 3.57Å; G322-S326 WeakPolarHBondContact O-CA 3.1Å; G322-S326 PolarHBondContact O-N 2.94Å; E323-S326 PolarHBondContact O-N 3.16Å; S326-P328 WeakPolarHBondContact O-CD 3.08Å |
| 327 | K | 93.9 | Very high | 96.6 | Very high | 115 Ų | 115 | 66 Ų | 66 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | trans | -110.7 | 89.7 | 177.8 | -63.2 | -160.7 | 176 | -163.8 | 0 | 110 | G322 K325 N329 M330 | G322-K327 VanDerWaalsContact CA-O 3.24Å; G322-K327 WeakPolarHBondContact CA-O 3.22Å; G322-K327 PolarHBondContact O-N 2.89Å; K325-K327 HydrophobicContact CB-CG 4.28Å; K325-K327 WeakPolarHBondContact O-CG 3.29Å; K325-K327 PolarHBondContact O-N 2.71Å; K327-N329 VanDerWaalsContact C-N 3.29Å; K327-N329 PolarHBondContact O-N 3.05Å; K327-M330 HydrophobicContact CB-CE 4.1Å; K327-M330 HydrophobicContact CD-CE 4.22Å; K327-M330 VanDerWaalsContact O-CB 3.29Å; K327-M330 WeakPolarHBondContact O-CB 3.49Å; K327-M330 PolarHBondContact O-N 2.9Å | ||
| 328 | P | 93.2 | Very high | 96.6 | Very high | 119 Ų | 119 | 67.4 Ų | 67.4 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.6 | -176.1 | 24.6 | -34 | 0 | 0 | 0 | 112.5 | S326 M330 | S326-P328 WeakPolarHBondContact O-CD 3.08Å; P328-M330 PolarHBondContact O-N 3.23Å |
| 329 | N | 96.5 | Very high | 96.5 | Very high | 130 Ų | 130 | 67.3 Ų | 67.3 | 70% | 0.695 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 31.5 | 178.2 | -62.5 | -18.4 | 0 | 0 | 0 | 113 | K327 K334 | K327-N329 VanDerWaalsContact C-N 3.29Å; K327-N329 PolarHBondContact O-N 3.05Å; N329-K334 WeakPolarHBondContact O-CD 3.47Å; N329-K334 PolarHBondContact O-NZ 3.28Å |
| 330 | M | 97.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 17% | 0.167 | 33% | 0.329 | C | S | . | . | trans | -84.2 | 141.8 | 174.2 | -170.9 | 62 | 68.3 | 0 | 0 | 110.5 | A318 G322 K327 P328 K334 | A318-M330 HydrophobicContact CB-CG 4.48Å; A318-M330 WeakPolarHBondContact O-CG 3.49Å; G322-M330 VanDerWaalsContact CA-CB 3.49Å; K327-M330 HydrophobicContact CB-CE 4.1Å; K327-M330 HydrophobicContact CD-CE 4.22Å; K327-M330 VanDerWaalsContact O-CB 3.29Å; K327-M330 WeakPolarHBondContact O-CB 3.49Å; K327-M330 PolarHBondContact O-N 2.9Å; P328-M330 PolarHBondContact O-N 3.23Å; M330-K334 HydrophobicContact SD-CB 3.84Å | ||
| 331 | N | 97.9 | Very high | 96.5 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -151.2 | 170 | 177.9 | 63.1 | 7.3 | 0 | 0 | 0 | 110 | D333 K334 L335 | N331-D333 VanDerWaalsContact C-N 3.27Å; N331-D333 PolarHBondContact O-N 3.32Å; N331-K334 PolarHBondContact O-N 2.89Å; N331-K334 WeakPolarHBondContact OD1-CB 3.4Å; N331-K334 WeakPolarHBondContact OD1-CD 3.47Å; N331-K334 VanDerWaalsContact OD1-CG 3.27Å; N331-K334 WeakPolarHBondContact OD1-CG 3.35Å; N331-K334 PolarHBondContact OD1-N 3Å; N331-K334 VanDerWaalsContact OD1-N 3.09Å; N331-L335 PolarHBondContact O-N 3.41Å | ||
| 332 | Y | 98.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -30.8 | -177.4 | 172.1 | -102.5 | 0 | 0 | 0 | 113.9 | L311 P314 D315 L335 S336 Y356 Y358 | L311-Y332 HydrophobicContact CD1-CD2 4.13Å; L311-Y332 HydrophobicContact CD1-CE2 3.86Å; P314-Y332 HydrophobicContact CB-CD2 3.51Å; P314-Y332 HydrophobicContact CB-CE2 4.01Å; P314-Y332 HydrophobicContact CB-CG 3.83Å; D315-Y332 VanDerWaalsContact OD1-CB 3.3Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.38Å; D315-Y332 PolarHBondContact OD1-N 3.26Å; Y332-L335 HydrophobicContact CD2-CD2 4.5Å; Y332-L335 PolarHBondContact O-N 3.15Å; Y332-S336 WeakPolarHBondContact O-CB 3.24Å; Y332-S336 PolarHBondContact O-N 3.36Å; Y332-S336 PolarHBondContact O-OG 3.03Å; Y332-Y356 HydrophobicContact CD1-CE1 4.1Å; Y332-Y356 AromaticContact CE1-CD1 3.94Å; Y332-Y356 HydrophobicContact CE1-CD1 3.94Å; Y332-Y356 AromaticContact CE1-CE1 3.61Å; Y332-Y356 HydrophobicContact CE1-CE1 3.61Å; Y332-Y356 AromaticContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CE1 4.37Å; Y332-Y356 AromaticContact CZ-CD1 3.55Å; Y332-Y356 AromaticContact CZ-CE1 3.75Å; Y332-Y358 PolarHBondContact OH-OH 3.3Å; Y332-Y358 VanDerWaalsContact OH-OH 3.06Å |
| 333 | D | 97.6 | Very high | 96.5 | Very high | 97 Ų | 97 | 72.6 Ų | 72.6 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -51.3 | 175.4 | 177.9 | 58 | 0 | 0 | 0 | 111.6 | N331 L335 S336 R337 R340 | N331-D333 VanDerWaalsContact C-N 3.27Å; N331-D333 PolarHBondContact O-N 3.32Å; D333-L335 PolarHBondContact O-N 2.78Å; D333-S336 PolarHBondContact O-N 2.95Å; D333-S336 PolarHBondContact O-OG 3.24Å; D333-R337 PolarHBondContact O-N 3.28Å; D333-R340 IonicContact OD1-NH2 3.33Å |
| 334 | K | 97.6 | Very high | 96.4 | Very high | 103 Ų | 103 | 73.2 Ų | 73.2 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.8 | -68.3 | 169.6 | -169.6 | 177.6 | 0 | 112.2 | N329 M330 N331 R337 A338 | N329-K334 WeakPolarHBondContact O-CD 3.47Å; N329-K334 PolarHBondContact O-NZ 3.28Å; M330-K334 HydrophobicContact SD-CB 3.84Å; N331-K334 PolarHBondContact O-N 2.89Å; N331-K334 WeakPolarHBondContact OD1-CB 3.4Å; N331-K334 WeakPolarHBondContact OD1-CD 3.47Å; N331-K334 VanDerWaalsContact OD1-CG 3.27Å; N331-K334 WeakPolarHBondContact OD1-CG 3.35Å; N331-K334 PolarHBondContact OD1-N 3Å; N331-K334 VanDerWaalsContact OD1-N 3.09Å; K334-R337 PolarHBondContact O-N 3.08Å; K334-A338 PolarHBondContact O-N 3.14Å |
| 335 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 175.1 | -175.4 | 150.2 | 0 | 0 | 0 | 111 | L283 L311 V317 A318 W321 N331 Y332 D333 R337 A338 L339 | L283-L335 HydrophobicContact CD1-CD1 4.24Å; L283-L335 HydrophobicContact CD1-CG 4.3Å; L283-L335 HydrophobicContact CD2-CG 4.29Å; L311-L335 HydrophobicContact CD1-CD2 4.39Å; V317-L335 HydrophobicContact CG1-CD1 4.01Å; A318-L335 HydrophobicContact CB-CB 4.35Å; A318-L335 HydrophobicContact CB-CD1 4.14Å; W321-L335 HydrophobicContact CB-CD1 3.85Å; W321-L335 HydrophobicContact CG-CD1 4.06Å; N331-L335 PolarHBondContact O-N 3.41Å; Y332-L335 HydrophobicContact CD2-CD2 4.5Å; Y332-L335 PolarHBondContact O-N 3.15Å; D333-L335 PolarHBondContact O-N 2.78Å; L335-R337 VanDerWaalsContact C-N 3.29Å; L335-R337 PolarHBondContact O-N 3.39Å; L335-A338 WeakPolarHBondContact O-CA 3.38Å; L335-A338 VanDerWaalsContact O-CB 3.29Å; L335-A338 WeakPolarHBondContact O-CB 3.26Å; L335-A338 PolarHBondContact O-N 3.49Å; L335-L339 HydrophobicContact CD2-CD1 3.68Å; L335-L339 HydrophobicContact CD2-CD2 4.47Å; L335-L339 HydrophobicContact CD2-CG 3.99Å; L335-L339 PolarHBondContact O-N 2.88Å |
| 336 | S | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -27.8 | 179.5 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | Y332 D333 A338 L339 R340 | Y332-S336 WeakPolarHBondContact O-CB 3.24Å; Y332-S336 PolarHBondContact O-N 3.36Å; Y332-S336 PolarHBondContact O-OG 3.03Å; D333-S336 PolarHBondContact O-N 2.95Å; D333-S336 PolarHBondContact O-OG 3.24Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-L339 PolarHBondContact O-N 2.92Å; S336-R340 VanDerWaalsContact O-CG 3.28Å; S336-R340 WeakPolarHBondContact O-CG 3.4Å; S336-R340 PolarHBondContact O-N 3.06Å; S336-R340 VanDerWaalsContact O-N 3.11Å; S336-R340 PolarHBondContact O-NE 3.45Å; S336-R340 PolarHBondContact OG-NH2 3.25Å |
| 337 | R | 97.5 | Very high | 96.5 | Very high | 100 Ų | 100 | 73.8 Ų | 73.8 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 168.6 | -177.7 | 63.6 | -166 | 96.6 | -15.5 | 111.8 | D333 K334 L335 Y341 | D333-R337 PolarHBondContact O-N 3.28Å; K334-R337 PolarHBondContact O-N 3.08Å; L335-R337 VanDerWaalsContact C-N 3.29Å; L335-R337 PolarHBondContact O-N 3.39Å; R337-Y341 HydrophobicContact CG-CE2 4.34Å; R337-Y341 VanDerWaalsContact NH2-CE1 3.27Å; R337-Y341 VanDerWaalsContact NH2-CZ 3.32Å; R337-Y341 PolarHBondContact NH2-OH 3.21Å; R337-Y341 VanDerWaalsContact O-CD2 3.26Å; R337-Y341 WeakPolarHBondContact O-CD2 3.46Å |
| 338 | A | 96.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L283 K334 L335 S336 R340 Y341 | L283-A338 HydrophobicContact CD2-CB 3.53Å; K334-A338 PolarHBondContact O-N 3.14Å; L335-A338 WeakPolarHBondContact O-CA 3.38Å; L335-A338 VanDerWaalsContact O-CB 3.29Å; L335-A338 WeakPolarHBondContact O-CB 3.26Å; L335-A338 PolarHBondContact O-N 3.49Å; S336-A338 VanDerWaalsContact C-N 3.3Å; A338-R340 VanDerWaalsContact C-N 3.29Å; A338-R340 PolarHBondContact O-N 3.21Å; A338-Y341 PolarHBondContact O-N 3.38Å; A338-Y341 VanDerWaalsContact O-N 3.11Å |
| 339 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -37 | 176.4 | -58.2 | 179.8 | 0 | 0 | 0 | 112.9 | L283 L287 L335 S336 Y341 Y342 Y343 M348 Y358 | L283-L339 HydrophobicContact CD2-CD2 3.54Å; L283-L339 HydrophobicContact CD2-CG 4.18Å; L283-L339 HydrophobicContact CG-CD2 3.98Å; L287-L339 HydrophobicContact CD1-CD2 3.64Å; L335-L339 HydrophobicContact CD2-CD1 3.68Å; L335-L339 HydrophobicContact CD2-CD2 4.47Å; L335-L339 HydrophobicContact CD2-CG 3.99Å; L335-L339 PolarHBondContact O-N 2.88Å; S336-L339 PolarHBondContact O-N 2.92Å; L339-Y341 PolarHBondContact O-N 2.94Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.39Å; L339-Y342 PolarHBondContact O-N 3.19Å; L339-Y343 WeakPolarHBondContact O-CE1 3.37Å; L339-M348 HydrophobicContact CB-SD 4.17Å; L339-M348 HydrophobicContact CD2-CE 4.02Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.4Å; L339-Y358 HydrophobicContact CB-CE1 4.12Å; L339-Y358 HydrophobicContact CD1-CD1 4.25Å; L339-Y358 HydrophobicContact CD1-CD2 4.23Å; L339-Y358 HydrophobicContact CD1-CE1 3.74Å; L339-Y358 HydrophobicContact CD1-CE2 3.72Å; L339-Y358 HydrophobicContact CD1-CG 4.48Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å |
| 340 | R | 97.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -30.8 | 176.5 | -68.6 | 165.8 | -139.9 | 160.8 | 6.8 | 113.3 | D333 S336 A338 Y342 Y343 | D333-R340 IonicContact OD1-NH2 3.33Å; S336-R340 VanDerWaalsContact O-CG 3.28Å; S336-R340 WeakPolarHBondContact O-CG 3.4Å; S336-R340 PolarHBondContact O-N 3.06Å; S336-R340 VanDerWaalsContact O-N 3.11Å; S336-R340 PolarHBondContact O-NE 3.45Å; S336-R340 PolarHBondContact OG-NH2 3.25Å; A338-R340 VanDerWaalsContact C-N 3.29Å; A338-R340 PolarHBondContact O-N 3.21Å; R340-Y342 PolarHBondContact O-N 3.13Å; R340-Y343 HydrophobicContact CB-CE2 4.21Å; R340-Y343 HydrophobicContact CG-CE2 4Å; R340-Y343 PolarHBondContact O-N 3.14Å |
| 341 | Y | 96.7 | Very high | 96.7 | Very high | 129 Ų | 129 | 62.4 Ų | 62.4 | 51% | 0.506 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.9 | 176.7 | -65.9 | -69.9 | 0 | 0 | 0 | 114.2 | R337 A338 L339 | R337-Y341 HydrophobicContact CG-CE2 4.34Å; R337-Y341 VanDerWaalsContact NH2-CE1 3.27Å; R337-Y341 VanDerWaalsContact NH2-CZ 3.32Å; R337-Y341 PolarHBondContact NH2-OH 3.21Å; R337-Y341 VanDerWaalsContact O-CD2 3.26Å; R337-Y341 WeakPolarHBondContact O-CD2 3.46Å; A338-Y341 PolarHBondContact O-N 3.38Å; A338-Y341 VanDerWaalsContact O-N 3.11Å; L339-Y341 PolarHBondContact O-N 2.94Å |
| 342 | Y | 97.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -10 | 177 | -67.8 | -42.2 | 0 | 0 | 0 | 113.8 | L283 W284 L339 R340 K345 N346 I347 M348 | L283-Y342 HydrophobicContact CB-CE2 4.05Å; L283-Y342 HydrophobicContact CD2-CE2 4.34Å; L283-Y342 HydrophobicContact CG-CE2 4.29Å; L283-Y342 PolarHBondContact N-OH 2.97Å; W284-Y342 HydrophobicContact CB-CE2 4.14Å; W284-Y342 AromaticContact CD1-CE1 3.9Å; W284-Y342 AromaticContact CD1-CZ 3.74Å; W284-Y342 PolarHBondContact N-OH 3.4Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.39Å; L339-Y342 PolarHBondContact O-N 3.19Å; R340-Y342 PolarHBondContact O-N 3.13Å; Y342-K345 PolarHBondContact O-N 2.69Å; Y342-N346 PolarHBondContact O-N 3.38Å; Y342-I347 HydrophobicContact CD1-CB 4.34Å; Y342-I347 HydrophobicContact CD1-CD1 3.81Å; Y342-I347 HydrophobicContact CD1-CG2 4.39Å; Y342-I347 HydrophobicContact CE1-CD1 4.2Å; Y342-I347 HydrophobicContact CG-CB 4.39Å; Y342-I347 HydrophobicContact CG-CG2 4.35Å; Y342-I347 PolarHBondContact O-N 2.91Å; Y342-M348 VanDerWaalsContact CB-CG 3.47Å; Y342-M348 HydrophobicContact CD2-CE 3.9Å; Y342-M348 HydrophobicContact CD2-CG 4.14Å; Y342-M348 HydrophobicContact CD2-SD 3.88Å; Y342-M348 HydrophobicContact CE2-CE 4.43Å; Y342-M348 HydrophobicContact CG-CG 4.24Å |
| 343 | Y | 96.9 | Very high | 96.4 | Very high | 66 Ų | 66 | 68.5 Ų | 68.5 | 26% | 0.259 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -52.6 | 178.8 | -55.4 | -11.1 | 0 | 0 | 0 | 110.5 | L339 R340 K345 N346 M348 K350 | L339-Y343 WeakPolarHBondContact O-CE1 3.37Å; R340-Y343 HydrophobicContact CB-CE2 4.21Å; R340-Y343 HydrophobicContact CG-CE2 4Å; R340-Y343 PolarHBondContact O-N 3.14Å; Y343-K345 PolarHBondContact O-N 3.2Å; Y343-K345 VanDerWaalsContact O-N 3.08Å; Y343-N346 PolarHBondContact O-N 2.84Å; Y343-N346 VanDerWaalsContact O-N 3.14Å; Y343-M348 WeakPolarHBondContact CA-O 3.31Å; Y343-M348 WeakPolarHBondContact CD1-O 3.45Å; Y343-K350 HydrophobicContact CE1-CB 4.41Å |
| 344 | D | 94.5 | Very high | 96.3 | Very high | 144 Ų | 144 | 67.3 Ų | 67.3 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8 | 178.6 | -46.9 | -44.3 | 0 | 0 | 0 | 113.4 | ||
| 345 | K | 93.7 | Very high | 96.3 | Very high | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 0.9 | 178.6 | -62.9 | -170.4 | 177.4 | -168.7 | 0 | 113.4 | Y342 Y343 I347 | Y342-K345 PolarHBondContact O-N 2.69Å; Y343-K345 PolarHBondContact O-N 3.2Å; Y343-K345 VanDerWaalsContact O-N 3.08Å; K345-I347 HydrophobicContact CB-CD1 3.88Å; K345-I347 HydrophobicContact CB-CG1 4.13Å; K345-I347 HydrophobicContact CD-CD1 4.31Å; K345-I347 PolarHBondContact O-N 3.28Å; K345-I347 VanDerWaalsContact O-N 3.13Å |
| 346 | N | 94.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 74.2 Ų | 74.2 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28 | -176.1 | -64.9 | 93.7 | 0 | 0 | 0 | 114.2 | Y342 Y343 D361 G364 | Y342-N346 PolarHBondContact O-N 3.38Å; Y343-N346 PolarHBondContact O-N 2.84Å; Y343-N346 VanDerWaalsContact O-N 3.14Å; N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.28Å; N346-G364 CarbonylContact O-C 3.54Å; N346-G364 WeakPolarHBondContact O-CA 3.44Å; N346-G364 PolarHBondContact O-N 2.7Å |
| 347 | I | 95.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 74.1 Ų | 74.1 | 5% | 0.046 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -90.3 | -37.4 | 177.5 | -67.5 | 165.3 | 0 | 0 | 0 | 110.1 | W284 Y342 K345 D361 L365 A368 | W284-I347 HydrophobicContact CB-CG2 3.95Å; W284-I347 HydrophobicContact CG-CG2 4.09Å; Y342-I347 HydrophobicContact CD1-CB 4.34Å; Y342-I347 HydrophobicContact CD1-CD1 3.81Å; Y342-I347 HydrophobicContact CD1-CG2 4.39Å; Y342-I347 HydrophobicContact CE1-CD1 4.2Å; Y342-I347 HydrophobicContact CG-CB 4.39Å; Y342-I347 HydrophobicContact CG-CG2 4.35Å; Y342-I347 PolarHBondContact O-N 2.91Å; K345-I347 HydrophobicContact CB-CD1 3.88Å; K345-I347 HydrophobicContact CB-CG1 4.13Å; K345-I347 HydrophobicContact CD-CD1 4.31Å; K345-I347 PolarHBondContact O-N 3.28Å; K345-I347 VanDerWaalsContact O-N 3.13Å; I347-D361 PolarHBondContact O-N 3.07Å; I347-L365 HydrophobicContact CG2-CD1 4.15Å; I347-A368 HydrophobicContact CD1-CB 3.55Å; I347-A368 HydrophobicContact CG1-CB 3.76Å |
| 348 | M | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 164.5 | 172.9 | 58.7 | 171.4 | 67.8 | 0 | 0 | 111.2 | W284 L287 F309 L339 Y342 Y343 R359 F360 | W284-M348 HydrophobicContact CB-CE 4.43Å; L287-M348 HydrophobicContact CD1-CE 4.14Å; F309-M348 HydrophobicContact CZ-CE 4.25Å; L339-M348 HydrophobicContact CB-SD 4.17Å; L339-M348 HydrophobicContact CD2-CE 4.02Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.4Å; Y342-M348 VanDerWaalsContact CB-CG 3.47Å; Y342-M348 HydrophobicContact CD2-CE 3.9Å; Y342-M348 HydrophobicContact CD2-CG 4.14Å; Y342-M348 HydrophobicContact CD2-SD 3.88Å; Y342-M348 HydrophobicContact CE2-CE 4.43Å; Y342-M348 HydrophobicContact CG-CG 4.24Å; Y343-M348 WeakPolarHBondContact CA-O 3.31Å; Y343-M348 WeakPolarHBondContact CD1-O 3.45Å; M348-R359 CarbonylContact C-O 3.44Å; M348-R359 WeakPolarHBondContact CA-O 3.5Å; M348-R359 VanDerWaalsContact CB-O 3.28Å; M348-R359 WeakPolarHBondContact CB-O 3.44Å; M348-F360 HydrophobicContact CB-CD1 4.36Å; M348-F360 HydrophobicContact CE-CD1 4.18Å; M348-F360 HydrophobicContact CE-CE1 3.58Å; M348-F360 HydrophobicContact CE-CZ 4.02Å |
| 349 | T | 96.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 29% | 0.288 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 162.7 | 176 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | Y358 R359 | T349-Y358 CarbonylContact O-C 3.59Å; T349-Y358 WeakPolarHBondContact O-CA 3.34Å; T349-R359 PolarHBondContact N-O 2.98Å; T349-R359 PolarHBondContact O-N 3.37Å |
| 350 | K | 96.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 73.3 Ų | 73.3 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 134.5 | 172.6 | -169.1 | -176.9 | 177.1 | -173.2 | 0 | 110.1 | Y343 H352 Y358 | Y343-K350 HydrophobicContact CE1-CB 4.41Å; K350-H352 PolarHBondContact O-CD2 3.47Å; K350-H352 VanDerWaalsContact O-CD2 3.29Å; K350-H352 PolarHBondContact O-N 2.97Å; K350-Y358 HydrophobicContact CG-CE1 4.38Å |
| 351 | V | 96.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | trans | -79.7 | 114 | 167.9 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | E308 K354 A357 R359 | E308-V351 HydrophobicContact CG-CG2 4.34Å; V351-K354 HydrophobicContact CG1-CB 4.17Å; V351-K354 HydrophobicContact CG1-CD 3.92Å; V351-K354 HydrophobicContact CG1-CG 4.06Å; V351-A357 HydrophobicContact CB-CB 3.94Å; V351-A357 HydrophobicContact CG2-CB 4.39Å; V351-A357 PolarHBondContact N-O 3Å; V351-R359 HydrophobicContact CG2-CB 4.17Å | ||
| 352 | H | 95.2 | Very high | 95.9 | Very high | 155 Ų | 155 | 69.5 Ų | 69.5 | 72% | 0.718 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -75.8 | 152.4 | 176.8 | -71.4 | -106.3 | 0 | 0 | 0 | 110.5 | K350 K354 | K350-H352 PolarHBondContact O-CD2 3.47Å; K350-H352 VanDerWaalsContact O-CD2 3.29Å; K350-H352 PolarHBondContact O-N 2.97Å; H352-K354 PolarHBondContact O-N 3.35Å; H352-K354 VanDerWaalsContact O-N 3.17Å |
| 353 | G | 95.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 95% | 0.948 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 81.6 | -33 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 354 | K | 94.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 69.9 Ų | 69.9 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -90.2 | 146.2 | 174.7 | -66.9 | -171.8 | -173.5 | -177.8 | 0 | 112.3 | E303 E308 V351 H352 A357 | E303-K354 PolarHBondContact O-NZ 3.16Å; E303-K354 WeakPolarHBondContact OE1-CD 3.45Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.39Å; E303-K354 PolarHBondContact OE1-NZ 2.88Å; E308-K354 IonicContact OE2-NZ 2.78Å; V351-K354 HydrophobicContact CG1-CB 4.17Å; V351-K354 HydrophobicContact CG1-CD 3.92Å; V351-K354 HydrophobicContact CG1-CG 4.06Å; H352-K354 PolarHBondContact O-N 3.35Å; H352-K354 VanDerWaalsContact O-N 3.17Å; K354-A357 HydrophobicContact CB-CB 3.54Å; K354-A357 HydrophobicContact CD-CB 3.87Å; K354-A357 HydrophobicContact CG-CB 4.37Å |
| 355 | R | 96.7 | Very high | 95.2 | Very high | 181 Ų | 181 | 63.5 Ų | 63.5 | 68% | 0.683 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -83.1 | 138.9 | 168.4 | -75.1 | -178.3 | 66.8 | -168.2 | 1.5 | 110.3 | A357 | R355-A357 PolarHBondContact O-N 3.47Š|
| 356 | Y | 97.6 | Very high | 95.1 | Very high | 67 Ų | 67 | 59 Ų | 59 | 26% | 0.263 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 53.6 | 21.4 | 176.6 | -47.2 | -69.5 | 0 | 0 | 0 | 116.1 | K310 L311 P314 Y332 Y358 | K310-Y356 WeakPolarHBondContact CA-O 3.32Å; L311-Y356 PolarHBondContact N-O 3.37Å; L311-Y356 WeakPolarHBondContact O-CB 3.4Å; P314-Y356 HydrophobicContact CB-CD1 3.83Å; P314-Y356 HydrophobicContact CB-CE1 4.06Å; P314-Y356 HydrophobicContact CB-CG 4.27Å; P314-Y356 HydrophobicContact CG-CD1 3.95Å; P314-Y356 HydrophobicContact CG-CD2 4.33Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.21Å; P314-Y356 HydrophobicContact CG-CG 4.21Å; Y332-Y356 HydrophobicContact CD1-CE1 4.1Å; Y332-Y356 AromaticContact CE1-CD1 3.94Å; Y332-Y356 HydrophobicContact CE1-CD1 3.94Å; Y332-Y356 AromaticContact CE1-CE1 3.61Å; Y332-Y356 HydrophobicContact CE1-CE1 3.61Å; Y332-Y356 AromaticContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CD1 3.93Å; Y332-Y356 HydrophobicContact CE2-CE1 4.37Å; Y332-Y356 AromaticContact CZ-CD1 3.55Å; Y332-Y356 AromaticContact CZ-CE1 3.75Å; Y356-Y358 WeakPolarHBondContact O-CD2 3.36Å |
| 357 | A | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F309 K310 V351 K354 R355 | F309-A357 CarbonylContact O-C 3.59Å; F309-A357 VanDerWaalsContact O-CA 3.3Å; F309-A357 WeakPolarHBondContact O-CA 3.36Å; K310-A357 HydrophobicContact CB-CB 4.43Å; V351-A357 HydrophobicContact CB-CB 3.94Å; V351-A357 HydrophobicContact CG2-CB 4.39Å; V351-A357 PolarHBondContact N-O 3Å; K354-A357 HydrophobicContact CB-CB 3.54Å; K354-A357 HydrophobicContact CD-CB 3.87Å; K354-A357 HydrophobicContact CG-CB 4.37Å; R355-A357 PolarHBondContact O-N 3.47Å |
| 358 | Y | 97.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.6 | -171.3 | -64.6 | -87.1 | 0 | 0 | 0 | 109.2 | E308 F309 L311 Y332 L339 T349 K350 Y356 | E308-Y358 WeakPolarHBondContact CA-O 3.43Å; F309-Y358 WeakPolarHBondContact CD1-O 3.45Å; F309-Y358 HydrophobicContact CE2-CD2 4.29Å; F309-Y358 HydrophobicContact CE2-CG 4.49Å; F309-Y358 VanDerWaalsContact CZ-CB 3.47Å; F309-Y358 HydrophobicContact CZ-CD2 4.44Å; F309-Y358 HydrophobicContact CZ-CG 4.19Å; F309-Y358 PolarHBondContact N-O 2.9Å; F309-Y358 PolarHBondContact O-N 3.09Å; F309-Y358 VanDerWaalsContact O-O 3.06Å; L311-Y358 HydrophobicContact CD1-CE2 4.48Å; Y332-Y358 PolarHBondContact OH-OH 3.3Å; Y332-Y358 VanDerWaalsContact OH-OH 3.06Å; L339-Y358 HydrophobicContact CB-CE1 4.12Å; L339-Y358 HydrophobicContact CD1-CD1 4.25Å; L339-Y358 HydrophobicContact CD1-CD2 4.23Å; L339-Y358 HydrophobicContact CD1-CE1 3.74Å; L339-Y358 HydrophobicContact CD1-CE2 3.72Å; L339-Y358 HydrophobicContact CD1-CG 4.48Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å; T349-Y358 CarbonylContact O-C 3.59Å; T349-Y358 WeakPolarHBondContact O-CA 3.34Å; K350-Y358 HydrophobicContact CG-CE1 4.38Å; Y356-Y358 WeakPolarHBondContact O-CD2 3.36Å |
| 359 | R | 96.6 | Very high | 94 | Very high | 105 Ų | 105 | 62.3 Ų | 62.3 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.3 | 175.8 | -172.2 | 169.1 | 61.7 | -131.4 | 6.7 | 110.6 | G307 E308 M348 T349 V351 | G307-R359 WeakPolarHBondContact O-CA 3.4Å; E308-R359 HydrophobicContact CG-CB 3.89Å; E308-R359 VanDerWaalsContact CG-CD 3.49Å; E308-R359 HydrophobicContact CG-CG 3.66Å; E308-R359 IonicContact OE1-CZ 2.67Å; E308-R359 IonicContact OE1-NH1 2.72Å; E308-R359 PolarHBondContact OE1-NH1 3.39Å; M348-R359 CarbonylContact C-O 3.44Å; M348-R359 WeakPolarHBondContact CA-O 3.5Å; M348-R359 VanDerWaalsContact CB-O 3.28Å; M348-R359 WeakPolarHBondContact CB-O 3.44Å; T349-R359 PolarHBondContact N-O 2.98Å; T349-R359 PolarHBondContact O-N 3.37Å; V351-R359 HydrophobicContact CG2-CB 4.17Å |
| 360 | F | 97 | Very high | 93.1 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 138.1 | 167.6 | -73.8 | -79.2 | 0 | 0 | 0 | 110.6 | W284 L287 L288 L291 W302 G307 F309 M348 L365 | W284-F360 HydrophobicContact CB-CE1 4.2Å; L287-F360 HydrophobicContact CB-CZ 4.2Å; L288-F360 HydrophobicContact CD1-CE1 4.43Å; L288-F360 HydrophobicContact CD2-CD2 4.01Å; L288-F360 HydrophobicContact CD2-CE1 4.22Å; L288-F360 HydrophobicContact CD2-CE2 3.55Å; L288-F360 HydrophobicContact CD2-CZ 3.67Å; L288-F360 HydrophobicContact CG-CE1 4.12Å; L288-F360 HydrophobicContact CG-CE2 4.16Å; L288-F360 HydrophobicContact CG-CZ 3.74Å; L291-F360 HydrophobicContact CD1-CE2 3.93Å; W302-F360 AromaticContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CD2 3.97Å; W302-F360 HydrophobicContact CH2-CE2 4.12Å; W302-F360 AromaticContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CD2 3.95Å; W302-F360 HydrophobicContact CZ3-CE2 4.33Å; G307-F360 PolarHBondContact O-N 2.68Å; F309-F360 AromaticContact CD1-CD2 3.55Å; F309-F360 HydrophobicContact CD1-CD2 3.55Å; F309-F360 AromaticContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CE2 3.46Å; F309-F360 VanDerWaalsContact CD1-CE2 3.46Å; F309-F360 HydrophobicContact CD1-CZ 4.46Å; F309-F360 AromaticContact CE1-CD2 3.45Å; F309-F360 HydrophobicContact CE1-CD2 3.45Å; F309-F360 VanDerWaalsContact CE1-CD2 3.45Å; F309-F360 AromaticContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CE2 3.2Å; F309-F360 HydrophobicContact CE1-CG 4.24Å; F309-F360 AromaticContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CE1-CZ 3.82Å; F309-F360 HydrophobicContact CG-CE2 4.31Å; F309-F360 AromaticContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CE2 3.89Å; F309-F360 HydrophobicContact CZ-CZ 4.14Å; M348-F360 HydrophobicContact CB-CD1 4.36Å; M348-F360 HydrophobicContact CE-CD1 4.18Å; M348-F360 HydrophobicContact CE-CE1 3.58Å; M348-F360 HydrophobicContact CE-CZ 4.02Å; F360-L365 HydrophobicContact CD1-CD1 4.24Å; F360-L365 HydrophobicContact CD1-CD2 4.3Å |
| 361 | D | 95.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | trans | -101.7 | 104.9 | 168.3 | 171.7 | -0.1 | 0 | 0 | 0 | 107.2 | N346 I347 T363 G364 L365 | N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.28Å; I347-D361 PolarHBondContact O-N 3.07Å; D361-T363 PolarHBondContact O-N 3.41Å; D361-T363 VanDerWaalsContact O-N 3.08Å; D361-T363 WeakPolarHBondContact OD1-CB 3.26Å; D361-T363 PolarHBondContact OD1-N 3.11Å; D361-T363 PolarHBondContact OD1-OG1 3.3Å; D361-G364 PolarHBondContact O-N 3.5Å; D361-L365 WeakPolarHBondContact O-CB 3.3Å; D361-L365 PolarHBondContact O-N 3.48Å | ||
| 362 | F | 92.2 | Very high | 90.2 | Very high | 105 Ų | 105 | 65 Ų | 65 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.1 | -24.2 | -176.3 | -62.6 | -73.8 | 0 | 0 | 0 | 112.7 | D306 L365 A366 | D306-F362 HydrophobicContact CB-CE2 4.45Å; F362-L365 HydrophobicContact CD1-CD2 4.06Å; F362-L365 HydrophobicContact CE1-CD2 4.49Å; F362-A366 WeakPolarHBondContact O-CB 3.2Å; F362-A366 PolarHBondContact O-N 3.08Å |
| 363 | T | 91 | Very high | 87.6 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 61% | 0.613 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.5 | -46.7 | -178.2 | -30.8 | 0 | 0 | 0 | 0 | 112.4 | D361 Q367 | D361-T363 PolarHBondContact O-N 3.41Å; D361-T363 VanDerWaalsContact O-N 3.08Å; D361-T363 WeakPolarHBondContact OD1-CB 3.26Å; D361-T363 PolarHBondContact OD1-N 3.11Å; D361-T363 PolarHBondContact OD1-OG1 3.3Å; T363-Q367 PolarHBondContact O-NE2 3.25Å |
| 364 | G | 91.2 | Very high | 84.8 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -88.9 | -23.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N346 D361 Q367 A368 | N346-G364 CarbonylContact O-C 3.54Å; N346-G364 WeakPolarHBondContact O-CA 3.44Å; N346-G364 PolarHBondContact O-N 2.7Å; D361-G364 PolarHBondContact O-N 3.5Å; G364-Q367 PolarHBondContact O-N 3.15Å; G364-A368 WeakPolarHBondContact O-CB 3.29Å; G364-A368 PolarHBondContact O-N 2.72Å |
| 365 | L | 91.8 | Very high | 82 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 169.5 | -177 | 66 | 0 | 0 | 0 | 111.5 | W284 L288 I347 F360 D361 F362 Q367 A368 M369 | W284-L365 HydrophobicContact CD2-CD1 3.97Å; W284-L365 HydrophobicContact CE3-CD1 3.35Å; W284-L365 HydrophobicContact CZ3-CD1 3.7Å; L288-L365 HydrophobicContact CD1-CD1 4.14Å; L288-L365 HydrophobicContact CD1-CD2 4.13Å; I347-L365 HydrophobicContact CG2-CD1 4.15Å; F360-L365 HydrophobicContact CD1-CD1 4.24Å; F360-L365 HydrophobicContact CD1-CD2 4.3Å; D361-L365 WeakPolarHBondContact O-CB 3.3Å; D361-L365 PolarHBondContact O-N 3.48Å; F362-L365 HydrophobicContact CD1-CD2 4.06Å; F362-L365 HydrophobicContact CE1-CD2 4.49Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; L365-Q367 PolarHBondContact O-N 2.72Å; L365-A368 PolarHBondContact O-N 3.21Å; L365-M369 WeakPolarHBondContact O-CG 3.45Å; L365-M369 PolarHBondContact O-N 2.69Å |
| 366 | A | 90.8 | Very high | 79.2 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F362 A368 M369 H370 | F362-A366 WeakPolarHBondContact O-CB 3.2Å; F362-A366 PolarHBondContact O-N 3.08Å; A366-A368 VanDerWaalsContact C-N 3.32Å; A366-A368 PolarHBondContact O-N 3.28Å; A366-M369 WeakPolarHBondContact O-CB 3.42Å; A366-M369 PolarHBondContact O-N 3.32Å; A366-M369 VanDerWaalsContact O-N 3.15Å; A366-H370 PolarHBondContact O-CD2 2.78Å; A366-H370 PolarHBondContact O-N 2.77Å; A366-H370 PolarHBondContact O-NE2 3.42Å |
| 367 | Q | 89.8 | Confident | 76.3 | Confident | 122 Ų | 122 | 62.4 Ų | 62.4 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 175.9 | -65.9 | 171 | 66.8 | 0 | 0 | 111.8 | T363 G364 L365 M369 H370 S371 | T363-Q367 PolarHBondContact O-NE2 3.25Å; G364-Q367 PolarHBondContact O-N 3.15Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; L365-Q367 PolarHBondContact O-N 2.72Å; Q367-M369 PolarHBondContact O-N 3.29Å; Q367-H370 PolarHBondContact O-N 3.03Å; Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 VanDerWaalsContact O-N 3.11Å; Q367-S371 PolarHBondContact O-OG 3.49Å |
| 368 | A | 87.7 | Confident | 73.6 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.2 | -31.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W284 I347 G364 L365 A366 S371 S372 | W284-A368 HydrophobicContact CZ2-CB 4.15Å; I347-A368 HydrophobicContact CD1-CB 3.55Å; I347-A368 HydrophobicContact CG1-CB 3.76Å; G364-A368 WeakPolarHBondContact O-CB 3.29Å; G364-A368 PolarHBondContact O-N 2.72Å; L365-A368 PolarHBondContact O-N 3.21Å; A366-A368 VanDerWaalsContact C-N 3.32Å; A366-A368 PolarHBondContact O-N 3.28Å; A368-S371 PolarHBondContact O-N 3.28Å; A368-S372 PolarHBondContact O-N 2.78Å; A368-S372 VanDerWaalsContact O-N 3.08Å |
| 369 | M | 86.1 | Confident | 70.6 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 18% | 0.177 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 171.3 | -68.8 | 164.1 | 69.8 | 0 | 0 | 110.5 | F239 W284 L365 A366 Q367 S371 S372 | F239-M369 HydrophobicContact CD1-CE 3.83Å; F239-M369 HydrophobicContact CE1-CE 4.17Å; W284-M369 HydrophobicContact CH2-CB 4.27Å; W284-M369 HydrophobicContact CH2-CG 3.54Å; W284-M369 HydrophobicContact CZ3-CG 3.9Å; L365-M369 WeakPolarHBondContact O-CG 3.45Å; L365-M369 PolarHBondContact O-N 2.69Å; A366-M369 WeakPolarHBondContact O-CB 3.42Å; A366-M369 PolarHBondContact O-N 3.32Å; A366-M369 VanDerWaalsContact O-N 3.15Å; Q367-M369 PolarHBondContact O-N 3.29Å; M369-S371 PolarHBondContact O-N 3.45Å; M369-S372 WeakPolarHBondContact O-CB 3.38Å; M369-S372 PolarHBondContact O-N 2.99Å; M369-S372 VanDerWaalsContact O-N 3.07Å; M369-S372 PolarHBondContact O-OG 3.47Å |
| 370 | H | 78.3 | Confident | 67.5 | Low | 75 Ų | 75 | 71.1 Ų | 71.1 | 35% | 0.347 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 177.7 | -52 | -43.8 | 0 | 0 | 0 | 112.1 | A366 Q367 S372 C373 W429 | A366-H370 PolarHBondContact O-CD2 2.78Å; A366-H370 PolarHBondContact O-N 2.77Å; A366-H370 PolarHBondContact O-NE2 3.42Å; Q367-H370 PolarHBondContact O-N 3.03Å; H370-S372 PolarHBondContact O-N 3.26Å; H370-C373 PolarHBondContact O-N 3.25Å; H370-C373 VanDerWaalsContact O-N 3.15Å; H370-W429 AromaticContact CD2-CZ2 3.74Å; H370-W429 AromaticContact CE1-CH2 3.68Å; H370-W429 AromaticContact CE1-CZ2 3.46Å; H370-W429 VanDerWaalsContact CE1-CZ2 3.46Å; H370-W429 WeakPolarHBondContact CE1-CZ2 3.48Å; H370-W429 AromaticContact NE2-CH2 3.59Å; H370-W429 AromaticContact NE2-CZ2 3.24Å; H370-W429 WeakPolarHBondContact NE2-CZ2 3.41Å |
| 371 | S | 70.9 | Confident | 64.7 | Low | 97 Ų | 97 | 79.4 Ų | 79.4 | 68% | 0.678 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -17 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 114.3 | Q367 A368 M369 | Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 VanDerWaalsContact O-N 3.11Å; Q367-S371 PolarHBondContact O-OG 3.49Å; A368-S371 PolarHBondContact O-N 3.28Å; M369-S371 PolarHBondContact O-N 3.45Å |
| 372 | S | 62.1 | Low | 62.1 | Low | 46 Ų | 46 | 85 Ų | 85 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -9.1 | 176 | 76.3 | 0 | 0 | 0 | 0 | 114 | Q285 A368 M369 H370 | Q285-S372 PolarHBondContact NE2-OG 3.4Å; A368-S372 PolarHBondContact O-N 2.78Å; A368-S372 VanDerWaalsContact O-N 3.08Å; M369-S372 WeakPolarHBondContact O-CB 3.38Å; M369-S372 PolarHBondContact O-N 2.99Å; M369-S372 VanDerWaalsContact O-N 3.07Å; M369-S372 PolarHBondContact O-OG 3.47Å; H370-S372 PolarHBondContact O-N 3.26Å |
| 373 | C | 39.8 | Very low | 59.2 | Low | 74 Ų | 74 | 86.5 Ų | 86.5 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | trans | -104 | 57 | 176 | -162.8 | 0 | 0 | 0 | 0 | 111.7 | H370 P375 | H370-C373 PolarHBondContact O-N 3.25Å; H370-C373 VanDerWaalsContact O-N 3.15Å; C373-P375 WeakPolarHBondContact O-CD 3.23Å | ||
| 374 | S | 35.6 | Very low | 56.6 | Low | 92 Ų | 92 | 87.2 Ų | 87.2 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | trans | -76.1 | 114.4 | 158.8 | 57 | 0 | 0 | 0 | 0 | 108.2 | T376 | S374-T376 PolarHBondContact O-N 3.17Š| ||
| 375 | P | 37.5 | Very low | 54.4 | Low | 111 Ų | 111 | 92 Ų | 92 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | trans | -59 | 134.3 | 169.2 | 26.3 | -33.3 | 0 | 0 | 0 | 108.2 | C373 S377 | C373-P375 WeakPolarHBondContact O-CD 3.23Å; P375-S377 PolarHBondContact O-N 3.42Å; P375-S377 VanDerWaalsContact O-N 3.15Å | ||
| 376 | T | 36.6 | Very low | 52 | Low | 122 Ų | 122 | 97.4 Ų | 97.4 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | trans | -60.2 | 120.1 | 178.9 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | S374 S378 | S374-T376 PolarHBondContact O-N 3.17Å; T376-S378 PolarHBondContact O-N 3Å | ||
| 377 | S | 36.5 | Very low | 49.9 | Very low | 112 Ų | 112 | 101.8 Ų | 101.8 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | trans | -66.5 | 76.1 | 178.1 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | P375 S379 | P375-S377 PolarHBondContact O-N 3.42Å; P375-S377 VanDerWaalsContact O-N 3.15Å; S377-S379 PolarHBondContact O-N 3.37Å | ||
| 378 | S | 40.8 | Very low | 47.8 | Very low | 110 Ų | 110 | 101.8 Ų | 101.8 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | trans | -73.2 | 72 | 166.1 | 57.3 | 0 | 0 | 0 | 0 | 108.9 | T376 | T376-S378 PolarHBondContact O-N 3Š| ||
| 379 | S | 35.5 | Very low | 45.5 | Very low | 110 Ų | 110 | 104 Ų | 104 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -57.2 | 134.5 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | S377 | S377-S379 PolarHBondContact O-N 3.37Š| ||
| 380 | G | 32.3 | Very low | 43.4 | Very low | 74 Ų | 74 | 108.3 Ų | 108.3 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | trans | 86.2 | 74.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 381 | L | 37 | Very low | 41.8 | Very low | 177 Ų | 177 | 112.4 Ų | 112.4 | 93% | 0.927 | 74% | 0.738 | S | S | * | * | trans | -139.7 | 116.6 | 138.6 | -115.2 | 168.9 | 0 | 0 | 0 | 108.3 | ||||
| 382 | L | 40.5 | Very low | 40.3 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -77.1 | 151.5 | -170.9 | -73.5 | 170.6 | 0 | 0 | 0 | 112 | S384 | L382-S384 PolarHBondContact O-N 3.38Š| ||
| 383 | T | 32.1 | Very low | 39.1 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -65.1 | 115.4 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 384 | S | 36.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -116.3 | 99.9 | 164.9 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | L382 | L382-S384 PolarHBondContact O-N 3.38Š| ||
| 385 | S | 43.7 | Very low | 39.3 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 134.5 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | V387 | S385-V387 PolarHBondContact O-N 3.11Š| ||
| 386 | P | 41.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 91.8 | 174.8 | 31.1 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 387 | V | 46.9 | Very low | 39.3 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | -82 | 121.9 | 164.8 | 172.5 | 0 | 0 | 0 | 0 | 108.9 | S385 | S385-V387 PolarHBondContact O-N 3.11Š| ||
| 388 | S | 44.9 | Very low | 39.2 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -101.4 | 119.2 | 178.5 | -67 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 389 | G | 40.1 | Very low | 39 | Very low | 59 Ų | 59 | 121.1 Ų | 121.1 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 91.9 | 146.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 390 | T | 41.2 | Very low | 38.6 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | cis | -156.4 | 115 | -1.9 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 391 | L | 45.3 | Very low | 38.8 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 67.4 | 162.2 | 154.4 | -72.3 | 170.9 | 0 | 0 | 0 | 119.1 | ||||
| 392 | P | 40.5 | Very low | 38.6 | Very low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -133 | 179.1 | -131.5 | 46.3 | -33.8 | 0 | 0 | 0 | 117.3 | ||||
| 393 | G | 36.1 | Very low | 38.2 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -179.4 | 134.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 394 | H | 40.2 | Very low | 38.1 | Very low | 183 Ų | 183 | 121 Ų | 121 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | trans | 49 | 105.7 | 165.5 | -69.5 | 77.7 | 0 | 0 | 0 | 118.3 | ||||
| 395 | S | 39.2 | Very low | 38.1 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 72.8 | 115.8 | 67.3 | 76.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 396 | G | 39 | Very low | 37.4 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 169.6 | 40 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 397 | N | 35.6 | Very low | 37 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 15.3 | 116 | 162.1 | -65.8 | 3.6 | 0 | 0 | 0 | 121.9 | ||||
| 398 | S | 34.5 | Very low | 36.3 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 88.5 | 137.8 | 119.1 | -60.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 399 | T | 36.3 | Very low | 36 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 73 | 113.1 | 146.1 | 42.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 400 | C | 27.5 | Very low | 35.5 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 155.7 | 165.6 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 401 | L | 35.2 | Very low | 35 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -144.6 | 134.5 | 158 | -86.3 | -178.5 | 0 | 0 | 0 | 113.3 | ||||
| 402 | S | 34.5 | Very low | 34.7 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 33.7 | 113.4 | 148.7 | 59.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 403 | N | 30.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | 45.4 | 145.2 | 108 | -89.1 | 35.6 | 0 | 0 | 0 | 124 | |||||
| 404 | E | 31.3 | Very low | 34.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | 70 | 141.6 | 157.2 | -65.3 | 154.1 | -129.6 | 0 | 0 | 115.6 | ||||
| 405 | F | 34.9 | Very low | 34.2 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | cis | -146.2 | 171.5 | 41.5 | -102.6 | -87.8 | 0 | 0 | 0 | 115.6 | ||||
| 406 | Y | 30.5 | Very low | 34.1 | Very low | 210 Ų | 210 | 141.9 Ų | 141.9 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -60.3 | 145 | 166.7 | -92.2 | -115.2 | 0 | 0 | 0 | 113.7 | ||||
| 407 | S | 33.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 177.8 | 157.2 | 109.3 | -79.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 408 | N | 31.2 | Very low | 33.5 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 150.3 | 178 | -44.4 | -81.6 | 0 | 0 | 0 | 111.9 | ||||
| 409 | H | 38.6 | Very low | 33.3 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -152.3 | 158.4 | 133.3 | -123.6 | -77.5 | 0 | 0 | 0 | 111.1 | ||||
| 410 | C | 30.5 | Very low | 33.1 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 60% | 0.595 | 80% | 0.803 | S | S | * | * | trans | -115.6 | 171.2 | -166.7 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 411 | D | 30.4 | Very low | 33.4 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 68.6 | 109.2 | 158.8 | -49.9 | -39.9 | 0 | 0 | 0 | 119.9 | ||||
| 412 | S | 39.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -166 | 128.7 | 130.7 | -77.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 413 | D | 32.1 | Very low | 33.6 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 144.9 | 175 | -67.5 | -70.2 | 0 | 0 | 0 | 112.6 | ||||
| 414 | L | 41.7 | Very low | 34 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -167.4 | 140.5 | 147.2 | -112.1 | 160.7 | 0 | 0 | 0 | 112.3 | ||||
| 415 | D | 33.2 | Very low | 34.3 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -65 | 131.8 | 178.6 | -68.1 | -81.7 | 0 | 0 | 0 | 113.7 | ||||
| 416 | Q | 36.8 | Very low | 34.5 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | -179.3 | 118.7 | 115 | -97.9 | 155.4 | 98.2 | 0 | 0 | 116 | |||||
| 417 | K | 31.9 | Very low | 35.3 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | 51.9 | 90 | 120.7 | -166.2 | -174.5 | -177 | -179.5 | 0 | 119.1 | |||||
| 418 | G | 29.7 | Very low | 35.8 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 158.5 | 142.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 419 | G | 30.6 | Very low | 36.3 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 104.7 | 58.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | T421 | G419-T421 PolarHBondContact O-N 3.33Å; G419-T421 VanDerWaalsContact O-N 3.08Å | ||
| 420 | E | 31.9 | Very low | 36.7 | Very low | 200 Ų | 200 | 141.6 Ų | 141.6 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | trans | -71.5 | 95.4 | 163.7 | -73.6 | -166.5 | 129.8 | 0 | 0 | 111.8 | ||||
| 421 | T | 33.9 | Very low | 38 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | -99.3 | 80.1 | 165.6 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | G419 | G419-T421 PolarHBondContact O-N 3.33Å; G419-T421 VanDerWaalsContact O-N 3.08Å | ||
| 422 | S | 37.7 | Very low | 39.4 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -71.3 | 132.7 | -177.8 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | K424 | S422-K424 PolarHBondContact O-N 3.11Š| ||
| 423 | D | 36 | Very low | 40.2 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | -63.3 | 100.6 | -176.3 | -92.8 | -57 | 0 | 0 | 0 | 113.8 | S425 | D423-S425 PolarHBondContact O-N 3.32Š| ||
| 424 | K | 38.6 | Very low | 41.7 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 92% | 0.922 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 56.6 | 176.1 | -64.4 | -177.9 | -178.7 | 175.5 | 0 | 112.6 | S422 | S422-K424 PolarHBondContact O-N 3.11Š|
| 425 | S | 38.5 | Very low | 42.4 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 59% | 0.594 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | -10.9 | -174.8 | 61.4 | 0 | 0 | 0 | 0 | 115.9 | D423 I427 | D423-S425 PolarHBondContact O-N 3.32Å; S425-I427 PolarHBondContact O-N 2.77Å |
| 426 | R | 37.5 | Very low | 43.5 | Very low | 245 Ų | 245 | 127.3 Ų | 127.3 | 93% | 0.925 | 69% | 0.688 | S | S | * | * | trans | -96.9 | 89 | 177.3 | -94.1 | -177.7 | 164 | 170.3 | -3.1 | 113.1 | S428 | R426-S428 PolarHBondContact O-N 3.03Š| ||
| 427 | I | 48 | Very low | 44.5 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 62% | 0.621 | 67% | 0.672 | S | S | * | * | trans | -64.3 | 121.8 | 163.4 | -75.6 | 64.5 | 0 | 0 | 0 | 108.2 | S425 I432 | S425-I427 PolarHBondContact O-N 2.77Å; I427-I432 HydrophobicContact CG2-CD1 3.92Å; I427-I432 HydrophobicContact CG2-CG1 3.65Å | ||
| 428 | S | 43.3 | Very low | 45.9 | Very low | 52 Ų | 52 | 114.5 Ų | 114.5 | 36% | 0.364 | 65% | 0.65 | S | S | . | * | trans | -74.1 | 138.7 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 111 | R426 K430 N431 I432 | R426-S428 PolarHBondContact O-N 3.03Å; S428-K430 PolarHBondContact O-N 2.85Å; S428-K430 VanDerWaalsContact O-N 3.13Å; S428-K430 PolarHBondContact OG-N 3.13Å; S428-N431 WeakPolarHBondContact O-CB 3.46Å; S428-N431 PolarHBondContact O-N 3.4Å; S428-I432 PolarHBondContact O-N 2.85Å | ||
| 429 | W | 41.5 | Very low | 47.4 | Very low | 146 Ų | 146 | 113.1 Ų | 113.1 | 55% | 0.553 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -54.5 | -30.9 | 173.1 | -99.4 | 92.3 | 0 | 0 | 0 | 113.5 | H370 N431 I432 Q433 | H370-W429 AromaticContact CD2-CZ2 3.74Å; H370-W429 AromaticContact CE1-CH2 3.68Å; H370-W429 AromaticContact CE1-CZ2 3.46Å; H370-W429 VanDerWaalsContact CE1-CZ2 3.46Å; H370-W429 WeakPolarHBondContact CE1-CZ2 3.48Å; H370-W429 AromaticContact NE2-CH2 3.59Å; H370-W429 AromaticContact NE2-CZ2 3.24Å; H370-W429 WeakPolarHBondContact NE2-CZ2 3.41Å; W429-N431 VanDerWaalsContact C-N 3.27Å; W429-N431 PolarHBondContact O-N 3.02Å; W429-I432 PolarHBondContact O-N 3.4Å; W429-Q433 HydrophobicContact CE3-CG 4.5Å; W429-Q433 WeakPolarHBondContact O-CG 3.24Å; W429-Q433 PolarHBondContact O-N 3.43Å |
| 430 | K | 47.5 | Very low | 48.8 | Very low | 156 Ų | 156 | 112.4 Ų | 112.4 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.1 | -36.2 | 175 | -59.9 | -175.2 | 179.3 | -177 | 0 | 111.7 | S428 Q433 V434 | S428-K430 PolarHBondContact O-N 2.85Å; S428-K430 VanDerWaalsContact O-N 3.13Å; S428-K430 PolarHBondContact OG-N 3.13Å; K430-Q433 PolarHBondContact O-N 2.72Å; K430-V434 WeakPolarHBondContact O-CB 3.5Å; K430-V434 VanDerWaalsContact O-CG2 3.3Å; K430-V434 WeakPolarHBondContact O-CG2 3.46Å; K430-V434 PolarHBondContact O-N 2.84Å |
| 431 | N | 57.5 | Low | 49.9 | Very low | 106 Ų | 106 | 105.4 Ų | 105.4 | 57% | 0.567 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.9 | -35.6 | 178.8 | -59.2 | 22.3 | 0 | 0 | 0 | 110.9 | S428 W429 V434 A435 | S428-N431 WeakPolarHBondContact O-CB 3.46Å; S428-N431 PolarHBondContact O-N 3.4Å; W429-N431 VanDerWaalsContact C-N 3.27Å; W429-N431 PolarHBondContact O-N 3.02Å; N431-V434 PolarHBondContact O-N 3.06Å; N431-A435 WeakPolarHBondContact O-CB 3.27Å; N431-A435 PolarHBondContact O-N 3.21Å |
| 432 | I | 61.1 | Low | 50.9 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.9 | -44.3 | 173.9 | -58.4 | 177.1 | 0 | 0 | 0 | 110.3 | I427 S428 W429 A435 A436 | I427-I432 HydrophobicContact CG2-CD1 3.92Å; I427-I432 HydrophobicContact CG2-CG1 3.65Å; S428-I432 PolarHBondContact O-N 2.85Å; W429-I432 PolarHBondContact O-N 3.4Å; I432-A435 PolarHBondContact O-N 3.15Å; I432-A436 WeakPolarHBondContact O-CB 3.36Å; I432-A436 PolarHBondContact O-N 3.44Å |
| 433 | Q | 54.4 | Low | 51.2 | Low | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -42 | 176.7 | -71.6 | 174.8 | -45 | 0 | 0 | 112.3 | W429 K430 A436 A437 | W429-Q433 HydrophobicContact CE3-CG 4.5Å; W429-Q433 WeakPolarHBondContact O-CG 3.24Å; W429-Q433 PolarHBondContact O-N 3.43Å; K430-Q433 PolarHBondContact O-N 2.72Å; Q433-A436 PolarHBondContact O-N 2.9Å; Q433-A437 WeakPolarHBondContact O-CB 3.43Å; Q433-A437 PolarHBondContact O-N 3.46Å |
| 434 | V | 64 | Low | 51.7 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.4 | -42.3 | 174.4 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | K430 N431 A437 A438 | K430-V434 WeakPolarHBondContact O-CB 3.5Å; K430-V434 VanDerWaalsContact O-CG2 3.3Å; K430-V434 WeakPolarHBondContact O-CG2 3.46Å; K430-V434 PolarHBondContact O-N 2.84Å; N431-V434 PolarHBondContact O-N 3.06Å; V434-A437 PolarHBondContact O-N 2.89Å; V434-A438 WeakPolarHBondContact O-CB 3.16Å; V434-A438 PolarHBondContact O-N 3.35Å |
| 435 | A | 56.4 | Low | 52.4 | Low | 60 Ų | 60 | 102.5 Ų | 102.5 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N431 I432 A438 A439 | N431-A435 WeakPolarHBondContact O-CB 3.27Å; N431-A435 PolarHBondContact O-N 3.21Å; I432-A435 PolarHBondContact O-N 3.15Å; A435-A438 PolarHBondContact O-N 2.94Å; A435-A439 WeakPolarHBondContact O-CB 3.29Å; A435-A439 PolarHBondContact O-N 3.07Å |
| 436 | A | 56.9 | Low | 52.8 | Low | 60 Ų | 60 | 104.5 Ų | 104.5 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I432 Q433 A439 A440 | I432-A436 WeakPolarHBondContact O-CB 3.36Å; I432-A436 PolarHBondContact O-N 3.44Å; Q433-A436 PolarHBondContact O-N 2.9Å; A436-A439 PolarHBondContact O-N 3.15Å; A436-A440 WeakPolarHBondContact O-CB 3.24Å; A436-A440 PolarHBondContact O-N 3.26Å |
| 437 | A | 58.3 | Low | 52.8 | Low | 61 Ų | 61 | 98.4 Ų | 98.4 | 50% | 0.504 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q433 V434 A440 A441 | Q433-A437 WeakPolarHBondContact O-CB 3.43Å; Q433-A437 PolarHBondContact O-N 3.46Å; V434-A437 PolarHBondContact O-N 2.89Å; A437-A440 PolarHBondContact O-N 3.33Å; A437-A441 WeakPolarHBondContact O-CB 3.49Å; A437-A441 PolarHBondContact O-N 3.34Å |
| 438 | A | 61.6 | Low | 52.3 | Low | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V434 A435 A441 T442 | V434-A438 WeakPolarHBondContact O-CB 3.16Å; V434-A438 PolarHBondContact O-N 3.35Å; A435-A438 PolarHBondContact O-N 2.94Å; A438-A441 PolarHBondContact O-N 3.27Å; A438-T442 WeakPolarHBondContact O-CB 3.35Å; A438-T442 PolarHBondContact O-N 3.2Å; A438-T442 PolarHBondContact O-OG1 2.92Å |
| 439 | A | 61 | Low | 51.9 | Low | 55 Ų | 55 | 103.1 Ų | 103.1 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.5 | -47.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | A435 A436 A441 T442 C443 | A435-A439 WeakPolarHBondContact O-CB 3.29Å; A435-A439 PolarHBondContact O-N 3.07Å; A436-A439 PolarHBondContact O-N 3.15Å; A439-A441 PolarHBondContact O-N 2.81Å; A439-T442 PolarHBondContact O-N 3.09Å; A439-C443 PolarHBondContact O-N 3.12Å; A439-C443 PolarHBondContact O-SG 2.73Å; A439-C443 VanDerWaalsContact O-SG 3.33Å |
| 440 | A | 58.4 | Low | 51.9 | Low | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.6 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A436 A437 T442 C443 Y444 | A436-A440 WeakPolarHBondContact O-CB 3.24Å; A436-A440 PolarHBondContact O-N 3.26Å; A437-A440 PolarHBondContact O-N 3.33Å; A440-T442 VanDerWaalsContact C-N 3.34Å; A440-T442 PolarHBondContact O-N 2.99Å; A440-C443 PolarHBondContact O-N 3.26Å; A440-Y444 PolarHBondContact O-N 2.74Å; A440-Y444 VanDerWaalsContact O-N 3.16Å |
| 441 | A | 55.1 | Low | 51.1 | Low | 52 Ų | 52 | 106.8 Ų | 106.8 | 43% | 0.43 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.9 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A437 A438 A439 Y444 L445 | A437-A441 WeakPolarHBondContact O-CB 3.49Å; A437-A441 PolarHBondContact O-N 3.34Å; A438-A441 PolarHBondContact O-N 3.27Å; A439-A441 PolarHBondContact O-N 2.81Å; A441-Y444 PolarHBondContact O-N 3.15Å; A441-L445 WeakPolarHBondContact O-CG 3.36Å; A441-L445 PolarHBondContact O-N 3.08Å |
| 442 | T | 56.2 | Low | 50 | Low | 79 Ų | 79 | 109.1 Ų | 109.1 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.4 | -41 | 177.7 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | A438 A439 A440 Y444 L445 N446 | A438-T442 WeakPolarHBondContact O-CB 3.35Å; A438-T442 PolarHBondContact O-N 3.2Å; A438-T442 PolarHBondContact O-OG1 2.92Å; A439-T442 PolarHBondContact O-N 3.09Å; A440-T442 VanDerWaalsContact C-N 3.34Å; A440-T442 PolarHBondContact O-N 2.99Å; T442-Y444 PolarHBondContact O-N 2.75Å; T442-L445 PolarHBondContact O-N 2.89Å; T442-N446 WeakPolarHBondContact O-CB 3.43Å; T442-N446 PolarHBondContact O-N 3.12Å |
| 443 | C | 43.7 | Very low | 48.3 | Very low | 96 Ų | 96 | 110.3 Ų | 110.3 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.7 | -31.2 | 173.2 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | A439 A440 L445 | A439-C443 PolarHBondContact O-N 3.12Å; A439-C443 PolarHBondContact O-SG 2.73Å; A439-C443 VanDerWaalsContact O-SG 3.33Å; A440-C443 PolarHBondContact O-N 3.26Å; C443-L445 VanDerWaalsContact C-N 3.35Å |
| 444 | Y | 47.3 | Very low | 47.3 | Very low | 213 Ų | 213 | 109.6 Ų | 109.6 | 84% | 0.835 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.2 | -15 | 177.1 | -110.4 | -86.5 | 0 | 0 | 0 | 114.8 | A440 A441 T442 | A440-Y444 PolarHBondContact O-N 2.74Å; A440-Y444 VanDerWaalsContact O-N 3.16Å; A441-Y444 PolarHBondContact O-N 3.15Å; T442-Y444 PolarHBondContact O-N 2.75Å |
| 445 | L | 52.6 | Low | 45.5 | Very low | 152 Ų | 152 | 109.9 Ų | 109.9 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -111.6 | 1.4 | -175.8 | -68.1 | 173 | 0 | 0 | 0 | 114 | A441 T442 C443 | A441-L445 WeakPolarHBondContact O-CG 3.36Å; A441-L445 PolarHBondContact O-N 3.08Å; T442-L445 PolarHBondContact O-N 2.89Å; C443-L445 VanDerWaalsContact C-N 3.35Å |
| 446 | N | 46.7 | Very low | 44.3 | Very low | 126 Ų | 126 | 115.5 Ų | 115.5 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -129 | 29.4 | -169.4 | -128.5 | -10.9 | 0 | 0 | 0 | 114 | T442 | T442-N446 WeakPolarHBondContact O-CB 3.43Å; T442-N446 PolarHBondContact O-N 3.12Å |
| 447 | C | 36.9 | Very low | 43 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | trans | -138.4 | 91.2 | 175.6 | -92 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 448 | P | 38.4 | Very low | 41.7 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | trans | -79.1 | 134.8 | 167 | 31.6 | -32.8 | 0 | 0 | 0 | 112.2 | ||||
| 449 | D | 33.9 | Very low | 40.3 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 86% | 0.861 | 70% | 0.7 | S | S | * | * | trans | 32.2 | 88.5 | 156.1 | -63 | -47.6 | 0 | 0 | 0 | 119.8 | ||||
| 450 | K | 41 | Very low | 38.9 | Very low | 200 Ų | 200 | 130 Ų | 130 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | trans | -138.9 | 75.2 | 155.2 | -68.9 | -163.5 | 178.4 | -179.2 | 0 | 114.7 | L452 | K450-L452 PolarHBondContact O-N 3.3Š| ||
| 451 | H | 32.7 | Very low | 37.5 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | 30.8 | 84.3 | 140.6 | -144.1 | -85.2 | 0 | 0 | 0 | 117.9 | S453 | H451-S453 PolarHBondContact O-N 3.05Š| ||
| 452 | L | 32.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -92.7 | 92.8 | 169.5 | -108.2 | 166.1 | 0 | 0 | 0 | 110.7 | K450 T454 | K450-L452 PolarHBondContact O-N 3.3Å; L452-T454 HydrophobicContact CD2-CG2 4.33Å; L452-T454 PolarHBondContact O-N 2.89Å | ||
| 453 | S | 26.8 | Very low | 35.2 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -82.9 | 88.7 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | H451 | H451-S453 PolarHBondContact O-N 3.05Š| ||
| 454 | T | 32.5 | Very low | 34.6 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -116.8 | 127.7 | 168.5 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | L452 F456 | L452-T454 HydrophobicContact CD2-CG2 4.33Å; L452-T454 PolarHBondContact O-N 2.89Å; T454-F456 PolarHBondContact O-N 3.27Å | ||
| 455 | S | 26.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -58.2 | 122.7 | -177 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 456 | F | 31.2 | Very low | 32.4 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -134.2 | 68.1 | 166.8 | -126.3 | -77.9 | 0 | 0 | 0 | 108.8 | T454 I459 | T454-F456 PolarHBondContact O-N 3.27Å; F456-I459 HydrophobicContact CD1-CD1 4.5Å; F456-I459 HydrophobicContact CE1-CD1 4.46Å | ||
| 457 | S | 30.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | trans | -67.1 | 169.1 | 155.4 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 458 | D | 29.2 | Very low | 31.1 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 74.6 | 38.3 | 173.1 | -45.5 | -14.2 | 0 | 0 | 0 | 116 | ||||
| 459 | I | 33 | Very low | 30.7 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | -123.9 | 74.3 | 146.4 | -51.1 | 179.8 | 0 | 0 | 0 | 108.5 | F456 | F456-I459 HydrophobicContact CD1-CD1 4.5Å; F456-I459 HydrophobicContact CE1-CD1 4.46Å | ||
| 460 | N | 32.3 | Very low | 30.6 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -162.8 | 39.5 | 170.6 | -106.3 | -24 | 0 | 0 | 0 | 113.4 | ||||
| 461 | D | 28.8 | Very low | 30.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -150.1 | 91.5 | 167.3 | -112.5 | -31 | 0 | 0 | 0 | 111.7 | ||||
| 462 | L | 31.5 | Very low | 30.4 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -173.1 | 62.3 | 157.4 | -107 | 164.6 | 0 | 0 | 0 | 109.2 | ||||
| 463 | T | 30.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -97.7 | 150.2 | 161.9 | 62.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 464 | S | 31.3 | Very low | 30.5 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 67.3 | 139.1 | -155.3 | 85.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 465 | C | 26.8 | Very low | 30.5 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | cis | -124.1 | 137.7 | 8.6 | -77.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 466 | S | 27.4 | Very low | 30.7 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | 28.5 | 116.9 | 147.1 | -161.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 467 | L | 27.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | -149.2 | 148.9 | 99.3 | -114.1 | 171.2 | 0 | 0 | 0 | 112.6 | |||||
| 468 | F | 29.4 | Very low | 30.9 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 77% | 0.772 | 78% | 0.78 | S | S | * | * | trans | -84 | 134.1 | -169.1 | -101.2 | -119.9 | 0 | 0 | 0 | 113.1 | ||||
| 469 | S | 29.6 | Very low | 31 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | 58.1 | 163.2 | 122.6 | -50.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 470 | L | 31.2 | Very low | 30.9 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | cis | -144.9 | 157.3 | 1.5 | -159.7 | 64.8 | 0 | 0 | 0 | 110.7 | ||||
| 471 | Q | 33.6 | Very low | 31.1 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -67.6 | 146.3 | 163.5 | -53.2 | 163.4 | -58.9 | 0 | 0 | 111.3 | ||||
| 472 | K | 35.6 | Very low | 31.3 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | 177.6 | 147.5 | 105.1 | -97.9 | 163.5 | -176.4 | 171 | 0 | 114.1 | |||||
| 473 | N | 29.4 | Very low | 31.3 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -60.7 | 141.7 | 163.1 | -73 | -50.1 | 0 | 0 | 0 | 111.6 | ||||
| 474 | K | 33.6 | Very low | 31.6 | Very low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -173.3 | 127.8 | 122 | -104.8 | -175.9 | 174.4 | -175.6 | 0 | 114 | |||||
| 475 | I | 31.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 141 Ų | 141 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 55.3 | 102.7 | 131.9 | -58.7 | 170.8 | 0 | 0 | 0 | 118.5 | ||||
| 476 | S | 31.4 | Very low | 32.1 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | 70 | 141.4 | 126.4 | -145.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 477 | N | 33.2 | Very low | 32.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 69.2 | 112 | 156.8 | -64.4 | -26.7 | 0 | 0 | 0 | 120.6 | ||||
| 478 | N | 32.1 | Very low | 32.5 | Very low | 161 Ų | 161 | 150 Ų | 150 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | 31.4 | 117 | 128 | -56.8 | -8.9 | 0 | 0 | 0 | 119.5 | |||||
| 479 | G | 32.1 | Very low | 32.5 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 155.9 | 101.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 480 | F | 30.8 | Very low | 32.5 | Very low | 206 Ų | 206 | 147.2 Ų | 147.2 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | 32.4 | 121.7 | 142.2 | -88.3 | -104.7 | 0 | 0 | 0 | 122.3 | ||||
| 481 | A | 35.7 | Very low | 32.4 | Very low | 78 Ų | 78 | 148.5 Ų | 148.5 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | 79.5 | 110.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 482 | K | 33.6 | Very low | 32.1 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | 72.4 | 126.5 | 122.8 | -71.5 | -174.3 | 176.6 | -177.8 | 0 | 122 | |||||
| 483 | N | 31.8 | Very low | 32.1 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 106.8 | 113.9 | 140.6 | -65.2 | -4.9 | 0 | 0 | 0 | 121.1 | ||||
| 484 | T | 36.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 60.5 | 127.6 | 137.1 | 56.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 485 | P | 35.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -103.3 | 172.6 | 176.3 | 41.1 | -35.6 | 0 | 0 | 0 | 114.9 | ||||
| 486 | Y | 32.4 | Very low | 32.5 | Very low | 238 Ų | 238 | 140.8 Ų | 140.8 | 93% | 0.933 | 77% | 0.774 | S | S | * | * | trans | -142 | 165.7 | 169.1 | -90.1 | -77.9 | 0 | 0 | 0 | 113.4 | ||||
| 487 | H | 30.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 162.4 | -174.3 | -107.1 | -121.9 | 0 | 0 | 0 | 116.4 | ||||
| 488 | I | 33.1 | Very low | 33 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | -169.7 | 162.1 | 126.4 | -98 | 156 | 0 | 0 | 0 | 110.3 | |||||
| 489 | T | 29.7 | Very low | 33 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | trans | -122.6 | 156.9 | -158.9 | 51.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 490 | S | 28.6 | Very low | 33.1 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 57.7 | 131.2 | 141 | 63.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 491 | L | 29.6 | Very low | 33.3 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | trans | -151.4 | 157.5 | 145.4 | -108.4 | 166.1 | 0 | 0 | 0 | 109.5 | ||||
| 492 | S | 26.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -132.6 | 160.9 | -173.2 | -167.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 493 | S | 35.4 | Very low | 33.2 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -160.3 | 113.2 | 167.1 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 494 | D | 31.5 | Very low | 33.7 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -86.7 | 159.1 | 175.5 | -49.2 | -85.9 | 0 | 0 | 0 | 112.8 | ||||
| 495 | F | 37.2 | Very low | 33.5 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -144.3 | 154.3 | 156.4 | -96.5 | -76.3 | 0 | 0 | 0 | 111.5 | ||||
| 496 | N | 35.4 | Very low | 33.6 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | -117.9 | 179.4 | -153.7 | -69.7 | -74.4 | 0 | 0 | 0 | 114.9 | ||||
| 497 | N | 36.9 | Very low | 33.9 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 82.1 | 136.9 | 163.4 | -44.2 | -46.6 | 0 | 0 | 0 | 114.3 | ||||
| 498 | N | 36.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -160 | 162.3 | 0.3 | -106.8 | -9.1 | 0 | 0 | 0 | 107.9 | ||||
| 499 | L | 33.3 | Very low | 34.5 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | cis | -142.9 | -140.8 | 4.8 | -150.8 | 15.9 | 0 | 0 | 0 | 106.9 | ||||
| 500 | F | 34.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | -150.9 | 179.2 | 1.3 | -154.1 | -91.7 | 0 | 0 | 0 | 110.3 | ||||
| 501 | M | 34.9 | Very low | 35.4 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -62.9 | 159.8 | 177.8 | -55.1 | -64.8 | -153.8 | 0 | 0 | 114.9 | ||||
| 502 | T | 34.9 | Very low | 36 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | cis | -166.8 | 154.4 | -7.4 | 18.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 503 | T | 30.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -91.3 | 169.7 | 152.7 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 504 | P | 42 | Very low | 37.3 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -145.7 | -170.9 | 104.1 | 39.6 | -24.5 | 0 | 0 | 0 | 114.6 | |||||
| 505 | T | 34.3 | Very low | 37.9 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -123.8 | 178.9 | -169.4 | 59 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 506 | T | 38.2 | Very low | 38.2 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 140.2 | 148.1 | 41.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 507 | G | 37.7 | Very low | 38.5 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 99 | 107.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 508 | S | 38.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | cis | 75.9 | 102.1 | 42.6 | -172.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 509 | G | 37.3 | Very low | 39.5 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | 156.2 | 104.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 510 | R | 35.9 | Very low | 40.3 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -54.2 | 174.5 | 179.1 | -59.5 | 169 | 178.9 | 175.7 | -1.9 | 117.3 | ||||
| 511 | H | 41.8 | Very low | 40.9 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 81.6 | 147.4 | 162.8 | -56.5 | -74.8 | 0 | 0 | 0 | 116.7 | ||||
| 512 | D | 43.1 | Very low | 41.1 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -170.4 | 168.9 | -33.3 | -100.7 | -14.2 | 0 | 0 | 0 | 107.7 | ||||
| 513 | E | 45.1 | Very low | 41.1 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | 63.5 | 159.2 | 167.3 | -66.3 | -179.6 | 163.7 | 0 | 0 | 119.1 | ||||
| 514 | D | 44.1 | Very low | 41.3 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | -165.1 | 178.1 | -42.9 | -161.6 | 3.2 | 0 | 0 | 0 | 110.1 | ||||
| 515 | T | 44.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | 82 | 81.2 | 152.1 | 59.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 516 | S | 42.2 | Very low | 41.1 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 83.8 | 153.9 | 110.1 | 81.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 517 | K | 42.9 | Very low | 40.8 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 80.2 | 113.3 | 168.9 | -55.8 | 177.5 | -175.4 | 177.1 | 0 | 116.3 | ||||
| 518 | L | 43.5 | Very low | 40.7 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | cis | 74.8 | 149.5 | 43.7 | -64.9 | 172.8 | 0 | 0 | 0 | 114.6 | ||||
| 519 | P | 49.1 | Very low | 40.6 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | cis | -141.4 | 149.6 | -3 | 28.4 | -5.2 | 0 | 0 | 0 | 118.8 | ||||
| 520 | H | 51 | Low | 40.3 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | trans | 60.4 | 175 | 135.8 | -66.2 | -41.6 | 0 | 0 | 0 | 122.3 | ||||
| 521 | P | 48 | Very low | 40.1 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | cis | -136.3 | 175 | -30.8 | 28.6 | -7.3 | 0 | 0 | 0 | 116.7 | ||||
| 522 | F | 38 | Very low | 39.7 | Very low | 204 Ų | 204 | 137.6 Ų | 137.6 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | trans | 70.7 | 135.3 | 160.1 | -49.9 | -56.9 | 0 | 0 | 0 | 119.6 | ||||
| 523 | G | 34.6 | Very low | 39.2 | Very low | 58 Ų | 58 | 136 Ų | 136 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | cis | 170.9 | 160.4 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 524 | F | 35.1 | Very low | 38.6 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | 65.7 | 137.5 | 172.8 | -53.7 | -76.5 | 0 | 0 | 0 | 116.8 | ||||
| 525 | N | 34.5 | Very low | 37.9 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | cis | -162.3 | 148.1 | -12.1 | -133.4 | 8.2 | 0 | 0 | 0 | 109.3 | ||||
| 526 | A | 37.7 | Very low | 37.3 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 49.7 | 117.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 527 | D | 32.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | 52.6 | 130.1 | 21.2 | -75.3 | -33.4 | 0 | 0 | 0 | 115.1 | ||||
| 528 | H | 35.9 | Very low | 36.3 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | cis | -144.1 | 165.6 | 10.2 | -111.4 | 7.6 | 0 | 0 | 0 | 107.7 | ||||
| 529 | H | 35 | Very low | 35.7 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | 53.2 | 147.2 | 63.5 | -88.3 | -35.1 | 0 | 0 | 0 | 113.3 | |||||
| 530 | N | 31.8 | Very low | 34.7 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | cis | -168.4 | -172.1 | -14.8 | -159.6 | -12.6 | 0 | 0 | 0 | 106.9 | ||||
| 531 | I | 31 | Very low | 33.8 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | 60 | 116 | 150.1 | -65.1 | 156.6 | 0 | 0 | 0 | 116.3 | ||||
| 532 | Q | 35.1 | Very low | 32.9 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | -156 | 135.4 | 78.1 | -129.5 | 136.8 | 24.4 | 0 | 0 | 110.4 | |||||
| 533 | T | 30.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 61% | 0.607 | 75% | 0.746 | S | S | * | * | 53.4 | 128.2 | 71.6 | -8.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 534 | L | 33.9 | Very low | 32.4 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | cis | -145.3 | 154.7 | 34.1 | -85 | 155.4 | 0 | 0 | 0 | 115.4 | ||||
| 535 | N | 29.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -4 | 137.9 | 143.6 | -44 | -17 | 0 | 0 | 0 | 118.4 | ||||
| 536 | E | 33 | Very low | 32 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | -170.5 | 133.2 | 95 | -98.9 | -169.2 | 167.1 | 0 | 0 | 115 | |||||
| 537 | T | 29.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -30 | 145 | 154.8 | 55 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 538 | R | 32.9 | Very low | 31.3 | Very low | 219 Ų | 219 | 148.6 Ų | 148.6 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | 172 | 142.7 | 102.9 | -91.1 | -175.5 | -175.6 | 155.7 | 5.8 | 115.5 | |||||
| 539 | F | 31 | Very low | 31 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | 63.6 | 115.6 | 141.6 | -81.4 | -119.8 | 0 | 0 | 0 | 123.4 | ||||
| 540 | L | 28 | Very low | 30.8 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 42.4 | 123.2 | 126.7 | -54.1 | -177.6 | 0 | 0 | 0 | 121.6 | |||||
| 541 | S | 32.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | -160.2 | 168.9 | 121.4 | -84.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 542 | Q | 28.7 | Very low | 30.7 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -145.6 | 109.2 | -158.7 | 179.5 | -171.5 | 19.7 | 0 | 0 | 113.7 | ||||
| 543 | E | 31.9 | Very low | 30.3 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -140.3 | 121.8 | 161.4 | -67.5 | -174.1 | 131.7 | 0 | 0 | 107 | ||||
| 544 | R | 30.9 | Very low | 30.3 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | cis | 93.8 | 100.7 | 19.8 | -152 | -179.1 | -156.6 | -171 | 7.2 | 114.6 | ||||
| 545 | T | 30.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | 58.7 | 121.7 | 156.7 | 50.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 546 | N | 30.7 | Very low | 30.4 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | -154.6 | 151.5 | 109.8 | -97 | -40.2 | 0 | 0 | 0 | 111 | |||||
| 547 | S | 25.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -149.4 | 130.6 | -168.1 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 548 | S | 30.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 113.4 | 167.4 | -53.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 549 | I | 28.9 | Very low | 30.6 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | 62.2 | 82.7 | 54.5 | -49.1 | -178.8 | 0 | 0 | 0 | 112.2 | |||||
| 550 | L | 31.2 | Very low | 30.6 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -159.9 | 106.8 | 137.6 | -124.5 | 76.3 | 0 | 0 | 0 | 104 | ||||
| 551 | S | 28.3 | Very low | 30.7 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | 55.2 | 88 | 53.6 | -158.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 552 | G | 31.4 | Very low | 30.6 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -140.6 | 87.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 553 | N | 28.2 | Very low | 30.6 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -74.3 | 126.3 | -172.7 | -64.2 | -27.9 | 0 | 0 | 0 | 112.2 | ||||
| 554 | Y | 29.4 | Very low | 30.6 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -138.2 | 65.8 | 159.7 | -85 | -71.1 | 0 | 0 | 0 | 111.9 | H556 | Y554-H556 PolarHBondContact O-N 2.99Å; Y554-H556 VanDerWaalsContact O-N 3.16Å | ||
| 555 | T | 30.5 | Very low | 30.5 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -85.7 | 59.1 | 169.4 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 556 | H | 35.5 | Very low | 30.7 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -144.7 | 125.2 | 171.8 | -61.4 | -73.3 | 0 | 0 | 0 | 107.3 | Y554 | Y554-H556 PolarHBondContact O-N 2.99Å; Y554-H556 VanDerWaalsContact O-N 3.16Å | ||
| 557 | L | 33.3 | Very low | 30.9 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | -133.3 | 134.6 | 6.5 | -63 | 167.1 | 0 | 0 | 0 | 109.9 | ||||
| 558 | L | 33.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -101.6 | 136.3 | 165 | -87.8 | 164.5 | 0 | 0 | 0 | 109.7 | ||||
| 559 | N | 32.5 | Very low | 31.3 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 23.7 | 102 | 157.4 | -55 | -1.8 | 0 | 0 | 0 | 118.3 | ||||
| 560 | P | 30 | Very low | 31.5 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 164.1 | 131.3 | 35.4 | -33.2 | 0 | 0 | 0 | 109.9 | ||||
| 561 | L | 30.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 67.1 | 88.2 | 176 | -47.5 | 178.9 | 0 | 0 | 0 | 115.8 | ||||
| 562 | L | 30.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 149 Ų | 149 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | 176.5 | 72.2 | 128.7 | -96.4 | 168.9 | 0 | 0 | 0 | 111.1 | |||||
| 563 | S | 29.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -164.1 | 101.9 | 157.8 | -156.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 564 | I | 32.5 | Very low | 32.2 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -168.4 | 102.4 | 144.3 | -85.5 | 138.1 | 0 | 0 | 0 | 103.2 | ||||
| 565 | D | 28.7 | Very low | 32.5 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -158 | 108.9 | 160.8 | -161.9 | -3.1 | 0 | 0 | 0 | 109.7 | ||||
| 566 | S | 34.9 | Very low | 32.7 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 178.4 | 109.6 | 159.7 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 567 | H | 34.7 | Very low | 32.8 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 45.7 | 105 | 147.6 | -74.6 | -84.2 | 0 | 0 | 0 | 120.5 | ||||
| 568 | N | 34.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | -172.2 | 112.5 | 92.8 | -81.4 | -35.3 | 0 | 0 | 0 | 107.7 | |||||
| 569 | Q | 29 | Very low | 32.9 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | 53.3 | 110.6 | 86.5 | -166.8 | 179.4 | 31.1 | 0 | 0 | 113.3 | |||||
| 570 | W | 34.3 | Very low | 32.7 | Very low | 245 Ų | 245 | 147.5 Ų | 147.5 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | -162.1 | 148.7 | 129.4 | -95.6 | 15.4 | 0 | 0 | 0 | 109.5 | |||||
| 571 | D | 32 | Very low | 33 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | trans | -77.4 | 167.1 | -175.9 | -62.9 | -83.6 | 0 | 0 | 0 | 112.8 | ||||
| 572 | M | 31.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | cis | -169.6 | 172.9 | -11.8 | -109.6 | -75.4 | -177.4 | 0 | 0 | 109.4 | ||||
| 573 | N | 33.9 | Very low | 32.9 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 79.9 | 148.5 | 157.1 | -59.4 | -41.1 | 0 | 0 | 0 | 121.6 | ||||
| 574 | S | 34.9 | Very low | 33.2 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 80.6 | 64 | 154.5 | -56.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 575 | I | 35.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | 40.9 | 136.5 | 112.8 | -65.5 | 176 | 0 | 0 | 0 | 119.7 | |||||
| 576 | P | 35.9 | Very low | 33.3 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -111.3 | 164.6 | -163.2 | 42.9 | -35.3 | 0 | 0 | 0 | 116.8 | ||||
| 577 | H | 37.4 | Very low | 33.2 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -175.2 | 153.3 | 157.1 | -101.8 | -91.1 | 0 | 0 | 0 | 105.7 | ||||
| 578 | E | 31.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -164.9 | 164.1 | -14.3 | -160.3 | 178.7 | 154.6 | 0 | 0 | 108.7 | ||||
| 579 | L | 36.2 | Very low | 32.8 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 64.3 | 137.6 | 156.3 | -123.9 | 74.2 | 0 | 0 | 0 | 122.6 | ||||
| 580 | D | 29.2 | Very low | 32.9 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 21.7 | 113.2 | 150.4 | -80 | -15.6 | 0 | 0 | 0 | 121.4 | ||||
| 581 | Q | 35.6 | Very low | 32.8 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | -166.3 | 170.8 | 98.4 | -109.3 | 152.2 | 97.1 | 0 | 0 | 115.4 | |||||
| 582 | S | 28.3 | Very low | 33 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -83.5 | 155.5 | -166.3 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 583 | S | 31 | Very low | 33.1 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 105.7 | 143.6 | 140.5 | 81.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 584 | T | 35 | Very low | 33 | Very low | 108 Ų | 108 | 145 Ų | 145 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | 87.7 | 137.5 | 153.9 | -24.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 585 | Y | 30.1 | Very low | 33.1 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 60.5 | 124.6 | 177.3 | -66.5 | -80.4 | 0 | 0 | 0 | 116.4 | ||||
| 586 | F | 34.3 | Very low | 33.1 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | cis | -130.6 | 158 | 27.3 | -99.4 | -97.2 | 0 | 0 | 0 | 114.4 | ||||
| 587 | K | 32 | Very low | 33.2 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 108.9 | 173.2 | -175.1 | 173.9 | -179.8 | 177.2 | 0 | 112.3 | ||||
| 588 | S | 32.5 | Very low | 33.1 | Very low | 109 Ų | 109 | 153.6 Ų | 153.6 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -172.3 | 146.4 | 167.3 | -83.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 589 | L | 29.5 | Very low | 33.1 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | cis | -151.6 | 116.2 | 2.7 | -119.7 | 163.2 | 0 | 0 | 0 | 108.8 | ||||
| 590 | S | 30.7 | Very low | 33 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -164.5 | 59 | 173.2 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 591 | D | 31 | Very low | 33.2 | Very low | 160 Ų | 160 | 153.7 Ų | 153.7 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -174.9 | 72.5 | 161.3 | -103 | -27.6 | 0 | 0 | 0 | 112.4 | ||||
| 592 | V | 35.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -145.3 | 82.6 | 165.9 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 593 | N | 33.9 | Very low | 33.1 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | 167.9 | 93.3 | 129.3 | -91.3 | -38.3 | 0 | 0 | 0 | 112 | |||||
| 594 | N | 33.6 | Very low | 33.2 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -123.5 | 146.3 | 156.4 | -107.6 | -53.6 | 0 | 0 | 0 | 107.6 | ||||
| 595 | K | 35.9 | Very low | 32.8 | Very low | 198 Ų | 198 | 158.5 Ų | 158.5 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 78.5 | 88.2 | -178.1 | -55.2 | 175.4 | 175.3 | 173.8 | 0 | 118.3 | ||||
| 596 | L | 35.5 | Very low | 32.8 | Very low | 174 Ų | 174 | 158 Ų | 158 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -151.1 | 83.4 | 135.2 | -100.3 | 171.1 | 0 | 0 | 0 | 106.5 | ||||
| 597 | K | 39.2 | Very low | 32.6 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | 51 | 107.5 | 87.8 | -94.5 | -159.4 | 172.3 | -169.4 | 0 | 115.2 | |||||
| 598 | Y | 34.2 | Very low | 32.5 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 55.9 | 107.7 | 154.7 | -66.7 | -88.8 | 0 | 0 | 0 | 119.5 | ||||
| 599 | L | 32 | Very low | 32.5 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | -175 | 145.5 | 97.8 | -94.5 | 165.3 | 0 | 0 | 0 | 110.6 | |||||
| 600 | P | 33 | Very low | 32.5 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -107.5 | 144.1 | 176.5 | 37.5 | -29.4 | 0 | 0 | 0 | 113.5 | ||||
| 601 | T | 33.8 | Very low | 32.7 | Very low | 147 Ų | 147 | 152 Ų | 152 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -159.2 | 156.9 | 150.3 | 5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 602 | N | 30.2 | Very low | 32.8 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -92.2 | 175.9 | -176.3 | -63.5 | -26.9 | 0 | 0 | 0 | 112.5 | ||||
| 603 | E | 32.2 | Very low | 32.8 | Very low | 162 Ų | 162 | 152.8 Ų | 152.8 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | 125.4 | 99.7 | 138.5 | -62.8 | -109.1 | 146.9 | 0 | 0 | 116.9 | ||||
| 604 | N | 32.5 | Very low | 32.9 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 54% | 0.54 | 78% | 0.78 | S | S | . | * | 79.6 | 127.4 | 118.9 | -74.3 | -30.4 | 0 | 0 | 0 | 123 | |||||
| 605 | Y | 27.2 | Very low | 33.2 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 47.8 | 126.8 | 153.8 | -56.7 | -66.4 | 0 | 0 | 0 | 119.1 | ||||
| 606 | F | 29.3 | Very low | 33.3 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -155.6 | 133.7 | 84 | -125 | -117.1 | 0 | 0 | 0 | 115.5 | |||||
| 607 | T | 31.3 | Very low | 33.2 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | 41.5 | 126.3 | 145.1 | 60 | 0 | 0 | 0 | 0 | 123 | ||||
| 608 | Q | 29.7 | Very low | 33.2 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 153.3 | 140.2 | -59.9 | 171.8 | -81.8 | 0 | 0 | 110.8 | ||
| 609 | P | 32.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 119.3 | 151.8 | 33.5 | -24.8 | 0 | 0 | 0 | 110.9 | ||
| 610 | C | 29.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 129.2 | 166.7 | -62 | 0 | 0 | 0 | 0 | 109.1 | ||
| 611 | V | 34.2 | Very low | 33.5 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -108.2 | 94.9 | 171.9 | -85.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 612 | N | 33.2 | Very low | 33.7 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -106.7 | 132.1 | 155.3 | -79.5 | -1.1 | 0 | 0 | 0 | 107.2 | ||||
| 613 | N | 36.8 | Very low | 34 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | -89 | 171.1 | 173.2 | -69.2 | -13.3 | 0 | 0 | 0 | 111.1 | ||||
| 614 | D | 35.2 | Very low | 34.4 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 71.7 | 75.5 | 156.4 | -49.4 | -38 | 0 | 0 | 0 | 117.9 | ||||
| 615 | L | 39.9 | Very low | 34.6 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | 42.3 | 155.9 | 107.3 | -66.1 | 156.5 | 0 | 0 | 0 | 120 | |||||
| 616 | P | 39.6 | Very low | 35 | Very low | 98 Ų | 98 | 129 Ų | 129 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -138.8 | 162.7 | -26.9 | 33.4 | -15 | 0 | 0 | 0 | 114.6 | ||||
| 617 | F | 33.4 | Very low | 35.3 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | 177.8 | 143.9 | 119.7 | -116.8 | -105.9 | 0 | 0 | 0 | 112.3 | |||||
| 618 | M | 37.5 | Very low | 35.7 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | 32.8 | 138.9 | 149.5 | -78.1 | -178.4 | 160.1 | 0 | 0 | 121.9 | ||||
| 619 | D | 34.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -167.1 | 148.6 | -8.6 | -147.8 | -40.7 | 0 | 0 | 0 | 110 | ||||
| 620 | S | 34.5 | Very low | 36.2 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 58.4 | 152 | 154.4 | -69.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 621 | V | 38 | Very low | 36.7 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | cis | -159.1 | 140.7 | -10.4 | 119.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 622 | Q | 38 | Very low | 36.7 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | 30.3 | 151.3 | 148.5 | -58.4 | 168.9 | -49.7 | 0 | 0 | 122 | ||||
| 623 | S | 35.7 | Very low | 36.8 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -176.5 | 156.5 | -9.8 | -95.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 624 | A | 39.7 | Very low | 36.6 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 53.3 | 153.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 625 | S | 38 | Very low | 36.5 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | cis | -173.6 | 131.3 | -21.2 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 626 | G | 35.7 | Very low | 36.2 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | 72.7 | 177.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 627 | L | 36.2 | Very low | 35.7 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | cis | -163.6 | 144.3 | -14.6 | -109.7 | 170.6 | 0 | 0 | 0 | 110 | ||||
| 628 | K | 39.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 69 | 113 | 154.2 | -72.2 | 168 | 179.1 | 178 | 0 | 122.3 | ||||
| 629 | N | 36.6 | Very low | 35.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | 71.9 | 106.4 | 118.4 | -60.7 | 19.1 | 0 | 0 | 0 | 122.7 | |||||
| 630 | S | 34.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | 82.2 | 154.5 | 115.7 | -55.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 631 | P | 41.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -131.4 | -167.7 | -139.1 | 42.9 | -26.4 | 0 | 0 | 0 | 116.2 | ||||
| 632 | N | 34.5 | Very low | 35.8 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 85.4 | 107.6 | 178.1 | -49.4 | -76.4 | 0 | 0 | 0 | 115.4 | ||||
| 633 | L | 35.2 | Very low | 35.5 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -167.1 | 164.4 | 104.7 | -101.5 | 168.7 | 0 | 0 | 0 | 113 | |||||
| 634 | L | 31.4 | Very low | 35.4 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -51.2 | 168.3 | -179.4 | -79.3 | 151.6 | 0 | 0 | 0 | 117.9 | ||||
| 635 | L | 34.3 | Very low | 35.2 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 94.7 | 125.6 | 161.8 | -93.6 | 68.5 | 0 | 0 | 0 | 120.4 | ||||
| 636 | N | 32.8 | Very low | 35.1 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 66.3 | 133.4 | 142.6 | -63.3 | -3.2 | 0 | 0 | 0 | 122.8 | ||||
| 637 | W | 29.6 | Very low | 35.2 | Very low | 218 Ų | 218 | 136.5 Ų | 136.5 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -56.6 | 152.8 | 157.6 | -89.7 | 34 | 0 | 0 | 0 | 112.6 | N639 | W637-N639 VanDerWaalsContact CZ3-OD1 3.24Å; W637-N639 WeakPolarHBondContact CZ3-OD1 3.47Å | ||
| 638 | P | 36.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | -134.4 | 175.1 | 108.1 | 37.8 | -28.2 | 0 | 0 | 0 | 115 | |||||
| 639 | N | 30 | Very low | 35.3 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | -84.3 | 152.1 | -169.2 | -66.5 | -67.3 | 0 | 0 | 0 | 115.7 | W637 | W637-N639 VanDerWaalsContact CZ3-OD1 3.24Å; W637-N639 WeakPolarHBondContact CZ3-OD1 3.47Å | ||
| 640 | T | 36.2 | Very low | 35.3 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 174.6 | 145.1 | 53.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 641 | P | 40.3 | Very low | 35.5 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 59% | 0.591 | 77% | 0.768 | S | S | * | * | cis | -144.4 | 176.5 | 11.3 | 46.6 | -28.9 | 0 | 0 | 0 | 119.3 | ||||
| 642 | Y | 35.9 | Very low | 35.3 | Very low | 217 Ų | 217 | 133.2 Ų | 133.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | 59.3 | 153 | 159 | -58.5 | -55.6 | 0 | 0 | 0 | 117.6 | ||||
| 643 | C | 32.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | cis | -154.8 | -172.9 | -6.3 | -126.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 644 | C | 33.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -154.7 | -163.1 | 10.4 | -145.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 645 | S | 34.8 | Very low | 35.7 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -67.4 | 162.9 | 177.9 | -38.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 646 | S | 36.9 | Very low | 35.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | cis | -142.4 | -168 | 22.4 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 647 | S | 38.1 | Very low | 35.8 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -160.4 | -171.8 | 14.7 | -151.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 648 | T | 38.5 | Very low | 36.1 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -81 | 166.5 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 649 | S | 37.9 | Very low | 36.1 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | cis | -151.6 | 161.2 | 25.3 | 58.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 650 | V | 37.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | trans | -56.9 | 153 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 651 | V | 39.2 | Very low | 36.3 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | -145.5 | 155 | 117 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 652 | S | 35.1 | Very low | 36.2 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -119.1 | -167 | -170 | -51.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 653 | L | 37.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 119.1 Ų | 119.1 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 90.2 | 110.6 | 167.8 | -59.7 | 156.5 | 0 | 0 | 0 | 114.4 | ||||
| 654 | S | 36.4 | Very low | 36.4 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | 82 | 145.1 | 64.2 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 655 | S | 35.7 | Very low | 36.6 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | cis | -178.7 | 164.4 | -5.5 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 656 | N | 34.5 | Very low | 36.6 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 68.1 | 162.3 | 171.2 | -45.1 | -28.4 | 0 | 0 | 0 | 114.3 | ||||
| 657 | S | 36 | Very low | 36.7 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | cis | -141.4 | 156.7 | 0.3 | -25.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 658 | Q | 34.9 | Very low | 36.6 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | 35.8 | 130.8 | 92.1 | -47.9 | -178.8 | -7.8 | 0 | 0 | 113.4 | |||||
| 659 | T | 37.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | cis | -157.7 | 125 | 42.4 | 42 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 660 | S | 34.7 | Very low | 36.7 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | 77.5 | 149.6 | 79.8 | 82.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 661 | N | 35.8 | Very low | 36.4 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | 78.1 | 144 | 162.9 | -60 | -14.6 | 0 | 0 | 0 | 117.8 | ||||
| 662 | S | 38.7 | Very low | 36.3 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | cis | -169.2 | 140.3 | -9.3 | 44.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 663 | N | 35.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 153.4 | 135.1 | -61.1 | -5.5 | 0 | 0 | 0 | 123.9 | ||||
| 664 | Y | 35.8 | Very low | 36.4 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | 74.2 | 138.6 | 158.5 | -53.4 | -50.8 | 0 | 0 | 0 | 117.9 | ||||
| 665 | N | 39.1 | Very low | 36.5 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | cis | -155.6 | 124.1 | -8.2 | -110.8 | -29.6 | 0 | 0 | 0 | 107.9 | ||||
| 666 | N | 34.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | 90.4 | 155 | 86.2 | -109.1 | -39.6 | 0 | 0 | 0 | 116.9 | |||||
| 667 | S | 38.4 | Very low | 36.6 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 82.8 | 69.4 | 158.8 | -55 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 668 | R | 35.2 | Very low | 36.7 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | trans | -26.3 | 178.1 | 132.8 | -144.9 | -159.8 | 171.3 | -174.8 | -1 | 116.7 | ||||
| 669 | P | 41.2 | Very low | 36.9 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | -125.1 | -164.4 | -78.7 | 44.1 | -28.1 | 0 | 0 | 0 | 114.2 | |||||
| 670 | Q | 38.5 | Very low | 36.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | 146.8 | 140.7 | 147.6 | -70 | -109.8 | 40.4 | 0 | 0 | 108 | ||||
| 671 | R | 30.8 | Very low | 37.1 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | 117.8 | 112.7 | 14 | 179.5 | -174.5 | -174.9 | 169.1 | 4.1 | 110 | ||||
| 672 | F | 37.5 | Very low | 37.2 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | 167.3 | 106.1 | 150.7 | -86 | -61.1 | 0 | 0 | 0 | 107.1 | ||||
| 673 | Q | 37 | Very low | 37 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | 74.5 | 106.5 | 78.7 | -87.2 | -161.9 | -46.3 | 0 | 0 | 117.3 | |||||
| 674 | H | 36.2 | Very low | 37.2 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | 169.6 | 104 | 122.7 | -99.6 | -84.1 | 0 | 0 | 0 | 107.8 | |||||
| 675 | V | 38.7 | Very low | 37.2 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | 72.9 | 103.9 | 71.6 | 177.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 676 | Y | 35.2 | Very low | 37 | Very low | 220 Ų | 220 | 148 Ų | 148 | 86% | 0.863 | 76% | 0.762 | S | S | * | * | -154.3 | 152.1 | 122.6 | -123.9 | -85.8 | 0 | 0 | 0 | 111 | |||||
| 677 | N | 37.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 153 Ų | 153 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | -94 | 178.4 | -179.9 | -48.4 | -64.8 | 0 | 0 | 0 | 110.5 | ||||
| 678 | H | 38.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | -141.9 | -178.6 | 10.6 | -96.1 | -62.5 | 0 | 0 | 0 | 108.4 | ||||
| 679 | V | 39.9 | Very low | 37.5 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | cis | -136.3 | -159.8 | 15.4 | -142.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 680 | L | 37.1 | Very low | 37.3 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -140.7 | 150.9 | 179 | -84.5 | 163.6 | 0 | 0 | 0 | 112.4 | ||||
| 681 | N | 38.5 | Very low | 37.2 | Very low | 166 Ų | 166 | 153 Ų | 153 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 147.3 | 132 | 143.7 | -75.8 | -13.4 | 0 | 0 | 0 | 110.6 | ||||
| 682 | G | 36.7 | Very low | 37.6 | Very low | 66 Ų | 66 | 150.9 Ų | 150.9 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 162.8 | 137.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 683 | C | 36 | Very low | 37.6 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | 66.8 | 162.1 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 684 | S | 38.4 | Very low | 37.7 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | 176.8 | 120 | -62.6 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 685 | I | 35.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | 28.1 | 111.9 | 143.4 | -44.3 | 175.6 | 0 | 0 | 0 | 119.5 | ||||
| 686 | H | 36.5 | Very low | 37.7 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | 161.2 | 142.3 | 132.9 | -100.4 | -84.2 | 0 | 0 | 0 | 107.3 | ||||
| 687 | E | 43.1 | Very low | 38 | Very low | 253 Ų | 253 | 146.2 Ų | 146.2 | 100% | 1.182 | 81% | 0.81 | S | S | * | * | cis | -132.1 | 0 | 5.8 | -179.1 | 171.1 | -142.4 | 0 | 0 | 110.1 |
Retrieved 687 of 687 residues in 267.5 ms
(Link to these results)