| 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 | 48.5 | Very low | 51.5 | Low | 241 Ų | 241 | 161.7 Ų | 161.7 | 100% | 1.187 | 87% | 0.865 | S | S | * | * | 0 | 125.1 | 0 | -140.9 | 162.7 | 179.4 | 0 | 0 | 106.9 | |||||
| 2 | V | 51.4 | Low | 51.8 | Low | 138 Ų | 138 | 157.3 Ų | 157.3 | 84% | 0.836 | 86% | 0.856 | S | S | * | * | trans | 66.9 | 102.6 | 175.1 | -161.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3 | R | 38.6 | Very low | 51.8 | Low | 244 Ų | 244 | 156.2 Ų | 156.2 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -94.2 | 145.8 | 157.2 | -79.4 | 173 | 152.8 | 152.1 | -5.7 | 108.3 | ||||
| 4 | T | 70.9 | Confident | 51.9 | Low | 139 Ų | 139 | 152.9 Ų | 152.9 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -146.7 | 132.7 | 147.4 | 43.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | R | 44 | Very low | 51.4 | Low | 245 Ų | 245 | 154.6 Ų | 154.6 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -107.8 | 158.1 | 166 | -86.4 | -179.2 | 160.7 | -151.1 | -3 | 107.7 | ||||
| 6 | S | 53 | Low | 51.3 | Low | 131 Ų | 131 | 155.2 Ų | 155.2 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | 141.2 | 146.4 | 154.6 | -67.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 7 | G | 53.4 | Low | 51.3 | Low | 69 Ų | 69 | 156.1 Ų | 156.1 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | cis | -179.1 | 130.6 | 3.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 8 | K | 46.1 | Very low | 51 | Low | 182 Ų | 182 | 157.9 Ų | 157.9 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | 51.1 | 118.3 | 107.9 | -159.8 | 164.3 | 179.1 | -174.9 | 0 | 116.7 | E10 | K8-E10 WeakPolarHBondContact CE-OE2 3.26Å; K8-E10 IonicContact NZ-OE2 2.65Å; K8-E10 PolarHBondContact NZ-OE2 2.97Å | |||
| 9 | S | 60 | Low | 50.8 | Low | 121 Ų | 121 | 153.8 Ų | 153.8 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | trans | -156.7 | 139.2 | 148.8 | 40.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | E | 44.5 | Very low | 50.1 | Low | 153 Ų | 153 | 155.6 Ų | 155.6 | 72% | 0.715 | 84% | 0.841 | S | S | * | * | trans | -104.8 | 159.3 | -178.3 | -66.2 | 164.7 | 73 | 0 | 0 | 110.2 | K8 | K8-E10 WeakPolarHBondContact CE-OE2 3.26Å; K8-E10 IonicContact NZ-OE2 2.65Å; K8-E10 PolarHBondContact NZ-OE2 2.97Å | ||
| 11 | S | 55.9 | Low | 50.1 | Low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | 163.1 | 148.3 | 157.9 | 42.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 12 | S | 55.4 | Low | 49.9 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | cis | -170.4 | 133.8 | -7.6 | -80.5 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 13 | D | 51.1 | Low | 49.3 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 83.1 | 152 | 86.4 | -142 | -10.6 | 0 | 0 | 0 | 115.9 | |||||
| 14 | S | 54.1 | Low | 49.6 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 98.8 | 99.5 | -174.6 | 67 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 15 | Q | 44.4 | Very low | 48.3 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 69.3 | 137.6 | 59.8 | -76.1 | -163.5 | -13.4 | 0 | 0 | 116.1 | |||||
| 16 | L | 48.9 | Very low | 48.4 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | 131.2 | 132.8 | 160.5 | -68.7 | 176.3 | 0 | 0 | 0 | 109.9 | ||||
| 17 | E | 52.7 | Low | 48 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -170.5 | 159.1 | -9.6 | -104.4 | -94.4 | 125.6 | 0 | 0 | 105.4 | ||||
| 18 | E | 44.5 | Very low | 47.6 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -75.8 | 160.7 | -174.9 | -59.9 | -178.9 | 141.3 | 0 | 0 | 114.3 | ||||
| 19 | G | 48.6 | Very low | 47.4 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -169 | 91.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 20 | F | 37 | Very low | 46.9 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -77.4 | 176.2 | 174.6 | 175.6 | -105.2 | 0 | 0 | 0 | 112.4 | ||||
| 21 | V | 48.5 | Very low | 46.9 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | 95.3 | 136.5 | 169.3 | -170.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 22 | E | 45 | Very low | 46 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | cis | -177.8 | 149.6 | -19 | -177.7 | 167 | 174 | 0 | 0 | 106 | ||||
| 23 | S | 38.8 | Very low | 45.4 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | trans | -0.2 | 139 | 164.7 | -161.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 24 | C | 45.7 | Very low | 44.8 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -147.6 | 90.3 | 143.8 | -89.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 25 | D | 42.9 | Very low | 44.2 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -69.2 | 123.5 | 154.6 | -85.2 | -61.5 | 0 | 0 | 0 | 109.6 | ||||
| 26 | V | 46.6 | Very low | 44.1 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -127.7 | 113.6 | 162.8 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | R | 44.3 | Very low | 43.7 | Very low | 217 Ų | 217 | 153.7 Ų | 153.7 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -76.5 | 144.6 | 175.1 | -61.1 | 161.3 | 67.1 | -173.4 | 2.5 | 109.7 | ||||
| 28 | E | 44.3 | Very low | 43.3 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -134.1 | 110.2 | 145.5 | -135.8 | 174.5 | -168.9 | 0 | 0 | 109.8 | ||||
| 29 | A | 43.1 | Very low | 43.1 | Very low | 77 Ų | 77 | 152.3 Ų | 152.3 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 125.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 30 | I | 48.9 | Very low | 42.9 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 127.4 | 170.6 | -60.4 | 176.7 | 0 | 0 | 0 | 108.5 | ||
| 31 | P | 44.1 | Very low | 43.4 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 131 | -175.8 | 0.4 | 17.1 | 0 | 0 | 0 | 112.6 | ||
| 32 | T | 37.8 | Very low | 43 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 117 | 162.7 | 35.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 33 | R | 43.2 | Very low | 43.1 | Very low | 248 Ų | 248 | 147.3 Ų | 147.3 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | trans | -123.8 | 131.5 | 157.6 | -92.7 | 179.5 | 166.7 | 168.8 | -3.8 | 105 | ||||
| 34 | G | 38.4 | Very low | 43.4 | Very low | 67 Ų | 67 | 151.5 Ų | 151.5 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | cis | 111.6 | 89 | 25.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 35 | L | 41.7 | Very low | 43.3 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 67.1 | 115.7 | 151.8 | -58.1 | 167.8 | 0 | 0 | 0 | 119.7 | ||||
| 36 | R | 40.5 | Very low | 43.3 | Very low | 243 Ų | 243 | 154.1 Ų | 154.1 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | -175.1 | 126.1 | 105.4 | -108.4 | -176.7 | 156.8 | -142.5 | -8.7 | 112.5 | |||||
| 37 | E | 42.3 | Very low | 43.2 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -52.6 | 146.2 | 154.9 | -74.5 | 152.5 | 119.4 | 0 | 0 | 110.5 | ||||
| 38 | E | 43.5 | Very low | 43.4 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | -176.4 | 154.8 | 109.9 | -76.7 | -144.3 | 136.1 | 0 | 0 | 110.6 | |||||
| 39 | D | 40 | Very low | 43.7 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 151.4 | -160 | -60.4 | -72.3 | 0 | 0 | 0 | 117.2 | ||||
| 40 | A | 44.8 | Very low | 44.2 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -163.8 | 94.4 | 140 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 41 | I | 46.4 | Very low | 44.2 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -17.4 | 123.4 | 153.2 | -55.1 | 162.3 | 0 | 0 | 0 | 114.9 | ||||
| 42 | G | 40 | Very low | 44.5 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -161.7 | 91.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 43 | S | 48.1 | Very low | 45.1 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | trans | -65.5 | 156.4 | -166.5 | -46.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 44 | I | 45.9 | Very low | 45.6 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | trans | 92.8 | 107.2 | 146.8 | -57.3 | 139.4 | 0 | 0 | 0 | 117.8 | ||||
| 45 | G | 43.1 | Very low | 46 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 174.7 | 94.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G47 | G45-G47 PolarHBondContact O-N 3.42Š| ||
| 46 | R | 43.5 | Very low | 46.2 | Very low | 262 Ų | 262 | 138.4 Ų | 138.4 | 99% | 0.989 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 96.9 | 177.4 | -62.1 | -172.8 | -148.4 | -94.6 | 2 | 109.7 | ||||
| 47 | G | 44 | Very low | 46.5 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -90.8 | 122.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | G45 | G45-G47 PolarHBondContact O-N 3.42Š| ||
| 48 | G | 47 | Very low | 46.9 | Very low | 49 Ų | 49 | 128.8 Ų | 128.8 | 51% | 0.505 | 77% | 0.773 | S | S | . | * | trans | -61.7 | 170 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W50 | G48-W50 PolarHBondContact O-N 3.34Š| ||
| 49 | P | 52.5 | Low | 47.6 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 27.8 | -165.7 | 31.6 | -36.4 | 0 | 0 | 0 | 115.2 | ||
| 50 | W | 52.6 | Low | 48.6 | Very low | 232 Ų | 232 | 120 Ų | 120 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 8.4 | -171.7 | -64.9 | 97.6 | 0 | 0 | 0 | 114.4 | G48 | G48-W50 PolarHBondContact O-N 3.34Š|
| 51 | C | 49.4 | Very low | 49.4 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -110.9 | 45.8 | -177.9 | -60 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 52 | Q | 50.3 | Low | 50.8 | Low | 179 Ų | 179 | 113.7 Ų | 113.7 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | trans | -101.8 | 113.1 | 155.6 | -82.8 | -178.7 | -55.9 | 0 | 0 | 107.9 | ||||
| 53 | P | 49 | Very low | 52.8 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | -60.3 | 138.5 | 171.4 | 24.9 | -31.4 | 0 | 0 | 0 | 108.9 | G55 | P53-G55 PolarHBondContact O-N 3.42Å; P53-G55 VanDerWaalsContact O-N 3.15Å | ||
| 54 | P | 54.3 | Low | 54.5 | Low | 124 Ų | 124 | 111.3 Ų | 111.3 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | trans | -55.2 | 126.8 | 169.1 | 23.5 | -29.9 | 0 | 0 | 0 | 106.9 | T56 | P54-T56 PolarHBondContact O-N 2.77Š| ||
| 55 | G | 47.7 | Very low | 56.4 | Low | 62 Ų | 62 | 109.6 Ų | 109.6 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | -45.1 | 139.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P53 L57 | P53-G55 PolarHBondContact O-N 3.42Å; P53-G55 VanDerWaalsContact O-N 3.15Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.9Å | ||
| 56 | T | 46.1 | Very low | 58.5 | Low | 141 Ų | 141 | 110.5 Ų | 110.5 | 87% | 0.865 | 64% | 0.642 | S | S | * | * | trans | -37.5 | 86.7 | 177.6 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | P54 S58 | P54-T56 PolarHBondContact O-N 2.77Å; T56-S58 PolarHBondContact O-N 2.91Å | ||
| 57 | L | 45.4 | Very low | 60.7 | Low | 151 Ų | 151 | 102.6 Ų | 102.6 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | trans | -71.2 | 91.7 | 158.1 | -74.2 | 175.1 | 0 | 0 | 0 | 103.6 | G55 S59 | G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.9Å; L57-S59 PolarHBondContact O-N 2.67Å | ||
| 58 | S | 50.5 | Low | 63 | Low | 64 Ų | 64 | 99.5 Ų | 99.5 | 45% | 0.448 | 58% | 0.583 | S | S | . | * | trans | -42.6 | 134.2 | -172.1 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | T56 A60 M61 | T56-S58 PolarHBondContact O-N 2.91Å; S58-A60 PolarHBondContact O-N 2.94Å; S58-A60 VanDerWaalsContact OG-CB 3.23Å; S58-A60 WeakPolarHBondContact OG-CB 3.45Å; S58-A60 PolarHBondContact OG-N 3.42Å; S58-M61 PolarHBondContact O-N 2.77Å | ||
| 59 | S | 59.1 | Low | 65.1 | Low | 105 Ų | 105 | 101.2 Ų | 101.2 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -45.9 | -23.3 | 167.8 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | L57 G62 V63 | L57-S59 PolarHBondContact O-N 2.67Å; S59-G62 PolarHBondContact O-N 3.12Å; S59-V63 WeakPolarHBondContact O-CG2 3.26Å; S59-V63 PolarHBondContact O-N 3.46Å |
| 60 | A | 61.1 | Low | 66.9 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 33% | 0.331 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -55.8 | -43.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | S58 G62 V63 E64 | S58-A60 PolarHBondContact O-N 2.94Å; S58-A60 VanDerWaalsContact OG-CB 3.23Å; S58-A60 WeakPolarHBondContact OG-CB 3.45Å; S58-A60 PolarHBondContact OG-N 3.42Å; A60-G62 VanDerWaalsContact C-N 3.27Å; A60-G62 PolarHBondContact O-N 2.94Å; A60-V63 PolarHBondContact O-N 3.27Å; A60-E64 WeakPolarHBondContact O-CG 3.43Å; A60-E64 PolarHBondContact O-N 2.97Å |
| 61 | M | 62.3 | Low | 68.9 | Low | 82 Ų | 82 | 91.4 Ų | 91.4 | 40% | 0.404 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | -176.9 | -69.7 | -58.3 | -42.3 | 0 | 0 | 112.7 | S58 R65 | S58-M61 PolarHBondContact O-N 2.77Å; M61-R65 WeakPolarHBondContact O-CB 3.34Å; M61-R65 PolarHBondContact O-N 3.29Å |
| 62 | G | 75.6 | Confident | 71.1 | Confident | 51 Ų | 51 | 89.9 Ų | 89.9 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S59 A60 L66 | S59-G62 PolarHBondContact O-N 3.12Å; A60-G62 VanDerWaalsContact C-N 3.27Å; A60-G62 PolarHBondContact O-N 2.94Å; G62-L66 PolarHBondContact O-N 2.9Å |
| 63 | V | 82 | Confident | 73.4 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -47.8 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | S59 A60 R65 L66 Q67 | S59-V63 WeakPolarHBondContact O-CG2 3.26Å; S59-V63 PolarHBondContact O-N 3.46Å; A60-V63 PolarHBondContact O-N 3.27Å; V63-R65 PolarHBondContact O-N 3.26Å; V63-L66 WeakPolarHBondContact O-CB 3.29Å; V63-L66 PolarHBondContact O-N 3.28Å; V63-L66 VanDerWaalsContact O-N 3.17Å; V63-Q67 HydrophobicContact CG1-CG 4.39Å; V63-Q67 WeakPolarHBondContact O-CG 3.49Å; V63-Q67 PolarHBondContact O-N 3.04Å |
| 64 | E | 82.9 | Confident | 75.6 | Confident | 49 Ų | 49 | 82.5 Ų | 82.5 | 23% | 0.229 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 179.6 | -68.8 | 164.8 | -168.1 | 0 | 0 | 111.6 | A60 L66 Q67 F68 V93 | A60-E64 WeakPolarHBondContact O-CG 3.43Å; A60-E64 PolarHBondContact O-N 2.97Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.5Å; E64-Q67 WeakPolarHBondContact O-CB 3.28Å; E64-Q67 PolarHBondContact O-N 3.28Å; E64-F68 PolarHBondContact O-N 3.44Å; E64-V93 HydrophobicContact CB-CG2 3.6Å |
| 65 | R | 86.2 | Confident | 77.5 | Confident | 141 Ų | 141 | 82 Ų | 82 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 175.9 | -171.6 | 172.6 | -170.5 | -102.4 | 2.5 | 112.5 | M61 V63 L69 V93 | M61-R65 WeakPolarHBondContact O-CB 3.34Å; M61-R65 PolarHBondContact O-N 3.29Å; V63-R65 PolarHBondContact O-N 3.26Å; R65-L69 WeakPolarHBondContact O-CG 3.33Å; R65-L69 PolarHBondContact O-N 2.96Å; R65-V93 HydrophobicContact CB-CG1 3.9Å; R65-V93 HydrophobicContact CG-CG1 4.02Å |
| 66 | L | 87 | Confident | 79.6 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71 | -42.1 | 175.6 | -172.1 | 67.4 | 0 | 0 | 0 | 111.2 | G62 V63 E64 F68 L69 Q70 | G62-L66 PolarHBondContact O-N 2.9Å; V63-L66 WeakPolarHBondContact O-CB 3.29Å; V63-L66 PolarHBondContact O-N 3.28Å; V63-L66 VanDerWaalsContact O-N 3.17Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.5Å; L66-F68 VanDerWaalsContact C-N 3.31Å; L66-F68 PolarHBondContact O-N 3.2Å; L66-L69 PolarHBondContact O-N 2.95Å; L66-Q70 HydrophobicContact CD1-CG 4.17Å; L66-Q70 HydrophobicContact CG-CG 4.29Å; L66-Q70 WeakPolarHBondContact O-CB 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.26Å |
| 67 | Q | 89.4 | Confident | 82 | Confident | 96 Ų | 96 | 77.6 Ų | 77.6 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 175.7 | -74.4 | 177.4 | 3.5 | 0 | 0 | 111.1 | V63 E64 Q70 R71 L89 | V63-Q67 HydrophobicContact CG1-CG 4.39Å; V63-Q67 WeakPolarHBondContact O-CG 3.49Å; V63-Q67 PolarHBondContact O-N 3.04Å; E64-Q67 WeakPolarHBondContact O-CB 3.28Å; E64-Q67 PolarHBondContact O-N 3.28Å; Q67-Q70 PolarHBondContact O-N 3.1Å; Q67-R71 VanDerWaalsContact O-CB 3.32Å; Q67-R71 WeakPolarHBondContact O-CB 3.47Å; Q67-R71 PolarHBondContact O-N 2.93Å; Q67-L89 HydrophobicContact CB-CD2 4.2Å |
| 68 | F | 93.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 1% | 0.013 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.5 | -51.8 | 175.5 | 178.2 | -97 | 0 | 0 | 0 | 112.5 | E64 L66 Q70 R71 L86 L89 K95 D99 L100 Q103 | E64-F68 PolarHBondContact O-N 3.44Å; L66-F68 VanDerWaalsContact C-N 3.31Å; L66-F68 PolarHBondContact O-N 3.2Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.38Å; F68-R71 WeakPolarHBondContact O-CB 3.47Å; F68-R71 PolarHBondContact O-N 3.32Å; F68-L86 HydrophobicContact CD2-CD2 4.16Å; F68-L86 HydrophobicContact CE2-CD2 3.91Å; F68-L89 HydrophobicContact CB-CB 4.42Å; F68-L89 HydrophobicContact CD2-CB 4.12Å; F68-K95 HydrophobicContact CD1-CD 4.3Å; F68-K95 HydrophobicContact CD1-CG 3.97Å; F68-K95 HydrophobicContact CD2-CG 4.27Å; F68-K95 HydrophobicContact CE1-CD 4.1Å; F68-K95 HydrophobicContact CE1-CG 3.82Å; F68-K95 HydrophobicContact CE2-CB 4.44Å; F68-K95 HydrophobicContact CE2-CG 4.16Å; F68-K95 HydrophobicContact CG-CG 4.19Å; F68-K95 HydrophobicContact CZ-CB 4.23Å; F68-K95 HydrophobicContact CZ-CG 3.92Å; F68-D99 HydrophobicContact CE1-CB 4.46Å; F68-D99 HydrophobicContact CZ-CB 4.39Å; F68-L100 HydrophobicContact CE2-CD2 3.54Å; F68-L100 HydrophobicContact CZ-CD2 3.97Å; F68-Q103 HydrophobicContact CE1-CB 3.98Å; F68-Q103 HydrophobicContact CE1-CG 4.12Å; F68-Q103 HydrophobicContact CE2-CB 4.35Å; F68-Q103 HydrophobicContact CE2-CG 4.31Å; F68-Q103 HydrophobicContact CZ-CB 3.65Å; F68-Q103 HydrophobicContact CZ-CG 3.96Å; F68-Q103 WeakPolarHBondContact O-CG 3.34Å; F68-Q103 PolarHBondContact O-NE2 2.94Å; F68-Q103 VanDerWaalsContact O-NE2 3.14Å |
| 69 | L | 89.8 | Confident | 86.6 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 45% | 0.445 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.1 | -30 | -176.9 | -70.2 | 171.9 | 0 | 0 | 0 | 113.3 | R65 L66 R71 Q103 | R65-L69 WeakPolarHBondContact O-CG 3.33Å; R65-L69 PolarHBondContact O-N 2.96Å; L66-L69 PolarHBondContact O-N 2.95Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-Q103 PolarHBondContact O-NE2 2.91Å |
| 70 | Q | 91.4 | Very high | 88.5 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 60% | 0.603 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -90.2 | -2.9 | 178.9 | -67.1 | -177.7 | -14.5 | 0 | 0 | 112.9 | L66 Q67 F68 V72 | L66-Q70 HydrophobicContact CD1-CG 4.17Å; L66-Q70 HydrophobicContact CG-CG 4.29Å; L66-Q70 WeakPolarHBondContact O-CB 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.26Å; Q67-Q70 PolarHBondContact O-N 3.1Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.38Å; Q70-V72 PolarHBondContact O-N 3.14Å; Q70-V72 VanDerWaalsContact O-N 3.08Å |
| 71 | R | 94.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | trans | -71 | 109.5 | -177.2 | -173.3 | 48.9 | 171.7 | 108.2 | 5.5 | 110.4 | Q67 F68 L69 E77 F82 L86 L89 Q103 | Q67-R71 VanDerWaalsContact O-CB 3.32Å; Q67-R71 WeakPolarHBondContact O-CB 3.47Å; Q67-R71 PolarHBondContact O-N 2.93Å; F68-R71 WeakPolarHBondContact O-CB 3.47Å; F68-R71 PolarHBondContact O-N 3.32Å; L69-R71 VanDerWaalsContact C-N 3.35Å; R71-E77 IonicContact CZ-OE1 2.94Å; R71-E77 IonicContact CZ-OE2 2.59Å; R71-E77 IonicContact NH1-OE1 3.27Å; R71-E77 IonicContact NH1-OE2 3.27Å; R71-E77 PolarHBondContact NH1-OE2 3.45Å; R71-E77 VanDerWaalsContact NH2-CD 3.32Å; R71-E77 IonicContact NH2-OE1 2.69Å; R71-E77 PolarHBondContact NH2-OE1 2.82Å; R71-E77 IonicContact NH2-OE2 3.8Å; R71-E77 PolarHBondContact NH2-OE2 3.15Å; R71-F82 HydrophobicContact CG-CD2 4.46Å; R71-F82 HydrophobicContact CG-CE2 4Å; R71-L86 HydrophobicContact CB-CD2 3.85Å; R71-L86 HydrophobicContact CG-CD2 3.71Å; R71-L86 HydrophobicContact CG-CG 4.19Å; R71-L89 HydrophobicContact CB-CD1 4.19Å; R71-L89 HydrophobicContact CG-CD1 4.02Å; R71-Q103 PolarHBondContact O-NE2 3.17Å | ||
| 72 | V | 96.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | trans | -120.4 | 148.3 | 173.1 | -61.2 | 0 | 0 | 0 | 0 | 109.7 | Q70 K74 G107 | Q70-V72 PolarHBondContact O-N 3.14Å; Q70-V72 VanDerWaalsContact O-N 3.08Å; V72-K74 PolarHBondContact O-N 2.93Å; V72-G107 CarbonylContact C-O 3.45Å; V72-G107 WeakPolarHBondContact CA-O 3.4Å | ||
| 73 | Q | 97.6 | Very high | 93 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 125 | 179 | -177.3 | 174.5 | 40.7 | 0 | 0 | 110.2 | E77 S78 F82 G107 Q109 | Q73-E77 WeakPolarHBondContact CA-OE2 3.4Å; Q73-E77 HydrophobicContact CG-CB 4.1Å; Q73-E77 HydrophobicContact CG-CG 4.46Å; Q73-E77 PolarHBondContact NE2-O 2.98Å; Q73-E77 VanDerWaalsContact NE2-O 3.1Å; Q73-S78 PolarHBondContact NE2-O 3.34Å; Q73-F82 HydrophobicContact CB-CB 4.32Å; Q73-F82 HydrophobicContact CB-CD1 4Å; Q73-F82 HydrophobicContact CB-CD2 4Å; Q73-F82 HydrophobicContact CB-CE1 4.3Å; Q73-F82 HydrophobicContact CB-CE2 4.28Å; Q73-F82 HydrophobicContact CB-CG 3.84Å; Q73-F82 HydrophobicContact CB-CZ 4.43Å; Q73-F82 HydrophobicContact CG-CB 4.13Å; Q73-F82 HydrophobicContact CG-CD1 4.48Å; Q73-F82 HydrophobicContact CG-CG 4.19Å; Q73-G107 WeakPolarHBondContact CB-O 3.46Å; Q73-G107 PolarHBondContact N-O 2.92Å; Q73-Q109 HydrophobicContact CB-CB 4.09Å; Q73-Q109 HydrophobicContact CG-CB 4.11Å |
| 74 | K | 94.8 | Very high | 93.7 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 153.3 | -179.1 | -62.8 | 171.1 | -175.5 | 166.8 | 0 | 110.6 | V72 G76 E77 | V72-K74 PolarHBondContact O-N 2.93Å; K74-G76 PolarHBondContact O-N 3.42Å; K74-E77 HydrophobicContact CB-CB 4.07Å; K74-E77 PolarHBondContact N-OE2 3.42Å; K74-E77 VanDerWaalsContact O-CB 3.23Å; K74-E77 WeakPolarHBondContact O-CB 3.41Å; K74-E77 PolarHBondContact O-N 3.39Å |
| 75 | P | 94.2 | Very high | 94.3 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 73% | 0.727 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 123.5 | 171.9 | -20.8 | 31.2 | 0 | 0 | 0 | 112.2 | E77 | P75-E77 VanDerWaalsContact C-N 3.3Š|
| 76 | G | 93.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 83% | 0.825 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K74 | K74-G76 PolarHBondContact O-N 3.42Š|
| 77 | E | 96.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 58.3 Ų | 58.3 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | trans | -70 | 139.4 | 174 | -173.9 | 170.5 | -131.5 | 0 | 0 | 111 | R71 Q73 K74 P75 D81 F82 | R71-E77 IonicContact CZ-OE1 2.94Å; R71-E77 IonicContact CZ-OE2 2.59Å; R71-E77 IonicContact NH1-OE1 3.27Å; R71-E77 IonicContact NH1-OE2 3.27Å; R71-E77 PolarHBondContact NH1-OE2 3.45Å; R71-E77 VanDerWaalsContact NH2-CD 3.32Å; R71-E77 IonicContact NH2-OE1 2.69Å; R71-E77 PolarHBondContact NH2-OE1 2.82Å; R71-E77 IonicContact NH2-OE2 3.8Å; R71-E77 PolarHBondContact NH2-OE2 3.15Å; Q73-E77 WeakPolarHBondContact CA-OE2 3.4Å; Q73-E77 HydrophobicContact CG-CB 4.1Å; Q73-E77 HydrophobicContact CG-CG 4.46Å; Q73-E77 PolarHBondContact NE2-O 2.98Å; Q73-E77 VanDerWaalsContact NE2-O 3.1Å; K74-E77 HydrophobicContact CB-CB 4.07Å; K74-E77 PolarHBondContact N-OE2 3.42Å; K74-E77 VanDerWaalsContact O-CB 3.23Å; K74-E77 WeakPolarHBondContact O-CB 3.41Å; K74-E77 PolarHBondContact O-N 3.39Å; P75-E77 VanDerWaalsContact C-N 3.3Å; E77-D81 HydrophobicContact CG-CB 3.97Å; E77-F82 HydrophobicContact CG-CB 4.3Å | ||
| 78 | S | 96.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | trans | -71.2 | 163.3 | 175.5 | 81.7 | 0 | 0 | 0 | 0 | 110.7 | Q73 D80 D81 F82 | Q73-S78 PolarHBondContact NE2-O 3.34Å; S78-D80 PolarHBondContact OG-N 3.46Å; S78-D81 VanDerWaalsContact CB-OD2 3.29Å; S78-D81 WeakPolarHBondContact CB-OD2 3.3Å; S78-D81 PolarHBondContact N-OD2 2.9Å; S78-D81 PolarHBondContact OG-N 3.2Å; S78-D81 PolarHBondContact OG-OD2 3.41Å; S78-F82 PolarHBondContact O-N 2.88Å | ||
| 79 | V | 96.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.7 | -34.8 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | A83 F104 L108 A132 R136 | V79-A83 WeakPolarHBondContact O-CB 3.25Å; V79-A83 PolarHBondContact O-N 3.03Å; V79-F104 HydrophobicContact CG1-CE2 3.92Å; V79-F104 HydrophobicContact CG1-CZ 3.58Å; V79-L108 HydrophobicContact CG1-CD2 4.43Å; V79-A132 HydrophobicContact CG1-CB 3.91Å; V79-R136 HydrophobicContact CG2-CG 4.36Å; V79-R136 VanDerWaalsContact CG2-NE 3.26Å |
| 80 | D | 97.3 | Very high | 95.7 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -53.5 | 178.4 | -72.6 | -77 | 0 | 0 | 0 | 111.5 | S78 F82 A83 D84 K133 | S78-D80 PolarHBondContact OG-N 3.46Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.45Å; D80-A83 WeakPolarHBondContact O-CB 3.3Å; D80-A83 PolarHBondContact O-N 3.13Å; D80-D84 PolarHBondContact O-N 3.22Å; D80-K133 WeakPolarHBondContact OD1-CE 3.37Å; D80-K133 IonicContact OD1-NZ 3.9Å; D80-K133 PolarHBondContact OD1-NZ 3.06Å; D80-K133 VanDerWaalsContact OD2-CE 3.29Å; D80-K133 WeakPolarHBondContact OD2-CE 3.31Å; D80-K133 IonicContact OD2-NZ 2.79Å |
| 81 | D | 97.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | -179.6 | -54.8 | -41.2 | 0 | 0 | 0 | 111.5 | E77 S78 E85 | E77-D81 HydrophobicContact CG-CB 3.97Å; S78-D81 VanDerWaalsContact CB-OD2 3.29Å; S78-D81 WeakPolarHBondContact CB-OD2 3.3Å; S78-D81 PolarHBondContact N-OD2 2.9Å; S78-D81 PolarHBondContact OG-N 3.2Å; S78-D81 PolarHBondContact OG-OD2 3.41Å; D81-E85 WeakPolarHBondContact O-CB 3.39Å; D81-E85 PolarHBondContact O-N 3.04Å |
| 82 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.4 | 172.4 | -122.8 | 0 | 0 | 0 | 112.3 | R71 Q73 E77 S78 D80 L86 F104 L108 | R71-F82 HydrophobicContact CG-CD2 4.46Å; R71-F82 HydrophobicContact CG-CE2 4Å; Q73-F82 HydrophobicContact CB-CB 4.32Å; Q73-F82 HydrophobicContact CB-CD1 4Å; Q73-F82 HydrophobicContact CB-CD2 4Å; Q73-F82 HydrophobicContact CB-CE1 4.3Å; Q73-F82 HydrophobicContact CB-CE2 4.28Å; Q73-F82 HydrophobicContact CB-CG 3.84Å; Q73-F82 HydrophobicContact CB-CZ 4.43Å; Q73-F82 HydrophobicContact CG-CB 4.13Å; Q73-F82 HydrophobicContact CG-CD1 4.48Å; Q73-F82 HydrophobicContact CG-CG 4.19Å; E77-F82 HydrophobicContact CG-CB 4.3Å; S78-F82 PolarHBondContact O-N 2.88Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.45Å; F82-L86 HydrophobicContact CD1-CD1 4.44Å; F82-L86 HydrophobicContact CD2-CD1 4.35Å; F82-L86 HydrophobicContact CD2-CG 4.43Å; F82-L86 HydrophobicContact CE1-CD1 3.82Å; F82-L86 HydrophobicContact CE2-CD1 3.74Å; F82-L86 HydrophobicContact CE2-CG 4Å; F82-L86 HydrophobicContact CZ-CD1 3.43Å; F82-L86 VanDerWaalsContact CZ-CD1 3.43Å; F82-L86 HydrophobicContact CZ-CG 4.21Å; F82-L86 PolarHBondContact O-N 3.29Å; F82-L86 VanDerWaalsContact O-N 3.1Å; F82-F104 AromaticContact CD1-CD2 3.7Å; F82-F104 HydrophobicContact CD1-CD2 3.7Å; F82-F104 AromaticContact CD1-CE2 3.71Å; F82-F104 HydrophobicContact CD1-CE2 3.71Å; F82-F104 AromaticContact CE1-CD2 3.5Å; F82-F104 HydrophobicContact CE1-CD2 3.5Å; F82-F104 VanDerWaalsContact CE1-CD2 3.5Å; F82-F104 AromaticContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CG 4.26Å; F82-L108 HydrophobicContact CD1-CD2 4.08Å; F82-L108 HydrophobicContact CE1-CD2 4.16Å; F82-L108 HydrophobicContact CE1-CG 4.19Å |
| 83 | A | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V79 D80 L86 R87 F104 F125 V129 | V79-A83 WeakPolarHBondContact O-CB 3.25Å; V79-A83 PolarHBondContact O-N 3.03Å; D80-A83 WeakPolarHBondContact O-CB 3.3Å; D80-A83 PolarHBondContact O-N 3.13Å; A83-L86 PolarHBondContact O-N 3.49Å; A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.03Å; A83-F104 HydrophobicContact CB-CD2 4.39Å; A83-F104 HydrophobicContact CB-CE2 3.98Å; A83-F125 HydrophobicContact CB-CE1 4.34Å; A83-F125 HydrophobicContact CB-CZ 3.92Å; A83-V129 HydrophobicContact CB-CG1 4.33Å; A83-V129 HydrophobicContact CB-CG2 3.72Å |
| 84 | D | 97.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 40% | 0.401 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.9 | -71.7 | -24.1 | 0 | 0 | 0 | 111.1 | D80 L86 R87 C88 | D80-D84 PolarHBondContact O-N 3.22Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 2.8Å; D84-R87 WeakPolarHBondContact O-CB 3.49Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.92Å; D84-R87 IonicContact OD1-NH1 3.45Å; D84-R87 PolarHBondContact OD1-NH1 3.37Å; D84-C88 PolarHBondContact O-N 2.93Å; D84-C88 PolarHBondContact O-SG 3Å; D84-C88 VanDerWaalsContact O-SG 3.4Å |
| 85 | E | 95.7 | Very high | 94.8 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.8 | -169.8 | 72 | 178.3 | 0 | 0 | 112.2 | D81 R87 C88 L89 | D81-E85 WeakPolarHBondContact O-CB 3.39Å; D81-E85 PolarHBondContact O-N 3.04Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-C88 PolarHBondContact O-N 3.21Å; E85-L89 HydrophobicContact CG-CD1 4.15Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 2.7Å |
| 86 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -37 | 174.8 | -81.7 | 177.5 | 0 | 0 | 0 | 112.3 | F68 R71 F82 A83 D84 G90 L100 Q103 F104 F125 | F68-L86 HydrophobicContact CD2-CD2 4.16Å; F68-L86 HydrophobicContact CE2-CD2 3.91Å; R71-L86 HydrophobicContact CB-CD2 3.85Å; R71-L86 HydrophobicContact CG-CD2 3.71Å; R71-L86 HydrophobicContact CG-CG 4.19Å; F82-L86 HydrophobicContact CD1-CD1 4.44Å; F82-L86 HydrophobicContact CD2-CD1 4.35Å; F82-L86 HydrophobicContact CD2-CG 4.43Å; F82-L86 HydrophobicContact CE1-CD1 3.82Å; F82-L86 HydrophobicContact CE2-CD1 3.74Å; F82-L86 HydrophobicContact CE2-CG 4Å; F82-L86 HydrophobicContact CZ-CD1 3.43Å; F82-L86 VanDerWaalsContact CZ-CD1 3.43Å; F82-L86 HydrophobicContact CZ-CG 4.21Å; F82-L86 PolarHBondContact O-N 3.29Å; F82-L86 VanDerWaalsContact O-N 3.1Å; A83-L86 PolarHBondContact O-N 3.49Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 2.8Å; L86-G90 WeakPolarHBondContact O-CA 3.44Å; L86-G90 PolarHBondContact O-N 2.92Å; L86-L100 VanDerWaalsContact O-CD2 3.31Å; L86-L100 WeakPolarHBondContact O-CD2 3.28Å; L86-Q103 HydrophobicContact CD1-CG 4.46Å; L86-Q103 HydrophobicContact CD2-CB 4.39Å; L86-Q103 HydrophobicContact CD2-CG 3.62Å; L86-F104 HydrophobicContact CD1-CB 3.92Å; L86-F104 HydrophobicContact CD1-CD2 4.09Å; L86-F125 HydrophobicContact CB-CE2 4.42Å; L86-F125 HydrophobicContact CB-CZ 4.33Å; L86-F125 HydrophobicContact CD1-CE2 4.38Å |
| 87 | R | 96.4 | Very high | 95 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 32% | 0.317 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.3 | -70.2 | -177.4 | -172.8 | 113.3 | 1.3 | 110.9 | A83 D84 E85 A91 F125 D126 | A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.03Å; D84-R87 WeakPolarHBondContact O-CB 3.49Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.92Å; D84-R87 IonicContact OD1-NH1 3.45Å; D84-R87 PolarHBondContact OD1-NH1 3.37Å; E85-R87 VanDerWaalsContact C-N 3.34Å; R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.5Å; R87-A91 PolarHBondContact O-N 3.11Å; R87-F125 HydrophobicContact CG-CD1 4.41Å; R87-F125 HydrophobicContact CG-CE1 3.6Å; R87-F125 HydrophobicContact CG-CZ 4.1Å; R87-D126 IonicContact CZ-OD1 3.74Å; R87-D126 IonicContact NE-OD1 3.83Å; R87-D126 IonicContact NH2-OD1 2.8Å; R87-D126 PolarHBondContact NH2-OD1 3.29Å |
| 88 | C | 94.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -56.3 | 177.4 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | D84 E85 G90 A91 E92 | D84-C88 PolarHBondContact O-N 2.93Å; D84-C88 PolarHBondContact O-SG 3Å; D84-C88 VanDerWaalsContact O-SG 3.4Å; E85-C88 PolarHBondContact O-N 3.21Å; C88-G90 VanDerWaalsContact C-N 3.3Å; C88-G90 PolarHBondContact O-N 3.08Å; C88-A91 PolarHBondContact O-N 3.26Å; C88-E92 WeakPolarHBondContact O-CG 3.42Å; C88-E92 PolarHBondContact O-N 2.86Å; C88-E92 VanDerWaalsContact O-N 3.13Å |
| 89 | L | 93.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 179.3 | -69.3 | 171.4 | 0 | 0 | 0 | 112.4 | Q67 F68 R71 E85 V93 | Q67-L89 HydrophobicContact CB-CD2 4.2Å; F68-L89 HydrophobicContact CB-CB 4.42Å; F68-L89 HydrophobicContact CD2-CB 4.12Å; R71-L89 HydrophobicContact CB-CD1 4.19Å; R71-L89 HydrophobicContact CG-CD1 4.02Å; E85-L89 HydrophobicContact CG-CD1 4.15Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 2.7Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 3.08Å |
| 90 | G | 94.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L86 C88 V93 G94 K95 | L86-G90 WeakPolarHBondContact O-CA 3.44Å; L86-G90 PolarHBondContact O-N 2.92Å; C88-G90 VanDerWaalsContact C-N 3.3Å; C88-G90 PolarHBondContact O-N 3.08Å; G90-V93 PolarHBondContact O-N 3.19Å; G90-G94 PolarHBondContact O-N 3.26Å; G90-K95 PolarHBondContact O-N 2.79Å |
| 91 | A | 92.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 66% | 0.661 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R87 C88 | R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.5Å; R87-A91 PolarHBondContact O-N 3.11Å; C88-A91 PolarHBondContact O-N 3.26Å |
| 92 | E | 89.6 | Confident | 94.8 | Very high | 107 Ų | 107 | 54.4 Ų | 54.4 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176.4 | -71 | 170.7 | -177.8 | 0 | 0 | 112 | C88 | C88-E92 WeakPolarHBondContact O-CG 3.42Å; C88-E92 PolarHBondContact O-N 2.86Å; C88-E92 VanDerWaalsContact O-N 3.13Å |
| 93 | V | 89.9 | Confident | 94.8 | Very high | 26 Ų | 26 | 55 Ų | 55 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -90.1 | -8.3 | -175.7 | -175.9 | 0 | 0 | 0 | 0 | 113.2 | E64 R65 L89 G90 K95 | E64-V93 HydrophobicContact CB-CG2 3.6Å; R65-V93 HydrophobicContact CB-CG1 3.9Å; R65-V93 HydrophobicContact CG-CG1 4.02Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 3.08Å; G90-V93 PolarHBondContact O-N 3.19Å; V93-K95 HydrophobicContact CB-CG 4.28Å; V93-K95 HydrophobicContact CG1-CD 4.47Å; V93-K95 HydrophobicContact CG1-CG 4.37Å |
| 94 | G | 91.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 55 Ų | 55 | 55% | 0.546 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 35.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G90 | G90-G94 PolarHBondContact O-N 3.26Š|
| 95 | K | 92.8 | Very high | 94.8 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | trans | -75.7 | 140 | 178.2 | -66.5 | -56 | -162 | 162.6 | 0 | 112.1 | F68 G90 V93 D99 L100 | F68-K95 HydrophobicContact CD1-CD 4.3Å; F68-K95 HydrophobicContact CD1-CG 3.97Å; F68-K95 HydrophobicContact CD2-CG 4.27Å; F68-K95 HydrophobicContact CE1-CD 4.1Å; F68-K95 HydrophobicContact CE1-CG 3.82Å; F68-K95 HydrophobicContact CE2-CB 4.44Å; F68-K95 HydrophobicContact CE2-CG 4.16Å; F68-K95 HydrophobicContact CG-CG 4.19Å; F68-K95 HydrophobicContact CZ-CB 4.23Å; F68-K95 HydrophobicContact CZ-CG 3.92Å; G90-K95 PolarHBondContact O-N 2.79Å; V93-K95 HydrophobicContact CB-CG 4.28Å; V93-K95 HydrophobicContact CG1-CD 4.47Å; V93-K95 HydrophobicContact CG1-CG 4.37Å; K95-D99 HydrophobicContact CB-CB 3.98Å; K95-D99 HydrophobicContact CD-CB 4Å; K95-D99 HydrophobicContact CG-CB 4.41Å; K95-D99 IonicContact NZ-OD1 3.6Å; K95-L100 HydrophobicContact CB-CD2 4.33Å | ||
| 96 | Q | 94.2 | Very high | 94.7 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | trans | -83.9 | 165.2 | 177.8 | -62 | -60.7 | -45.1 | 0 | 0 | 110.7 | D98 D99 L100 | Q96-D98 PolarHBondContact O-N 2.94Å; Q96-D99 PolarHBondContact N-OD2 2.92Å; Q96-D99 WeakPolarHBondContact O-CB 3.39Å; Q96-D99 PolarHBondContact O-N 3.16Å; Q96-L100 PolarHBondContact O-N 3.46Å | ||
| 97 | D | 96.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55 | -36.8 | 179.9 | -170 | 79.1 | 0 | 0 | 0 | 112.7 | L100 K101 S124 F125 | D97-L100 PolarHBondContact O-N 3.26Å; D97-K101 VanDerWaalsContact O-CB 3.23Å; D97-K101 WeakPolarHBondContact O-CB 3.33Å; D97-K101 PolarHBondContact O-N 3.31Å; D97-S124 WeakPolarHBondContact OD2-CA 3.28Å; D97-S124 VanDerWaalsContact OD2-CB 3.26Å; D97-S124 WeakPolarHBondContact OD2-CB 3.46Å; D97-F125 WeakPolarHBondContact OD1-CB 3.43Å; D97-F125 PolarHBondContact OD1-N 2.86Å; D97-F125 PolarHBondContact OD2-N 3.14Å |
| 98 | D | 95.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.2 | -75.4 | -36.9 | 0 | 0 | 0 | 112.4 | Q96 K101 E102 | Q96-D98 PolarHBondContact O-N 2.94Å; D98-K101 PolarHBondContact O-N 3.38Å; D98-K101 VanDerWaalsContact OD1-CE 3.31Å; D98-K101 WeakPolarHBondContact OD1-CE 3.3Å; D98-K101 IonicContact OD1-NZ 3.91Å; D98-K101 PolarHBondContact OD1-NZ 2.83Å; D98-E102 WeakPolarHBondContact O-CG 3.29Å; D98-E102 PolarHBondContact O-N 2.96Å |
| 99 | D | 95.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.1 | -67 | -74.2 | 0 | 0 | 0 | 110.8 | F68 K95 Q96 K101 E102 Q103 | F68-D99 HydrophobicContact CE1-CB 4.46Å; F68-D99 HydrophobicContact CZ-CB 4.39Å; K95-D99 HydrophobicContact CB-CB 3.98Å; K95-D99 HydrophobicContact CD-CB 4Å; K95-D99 HydrophobicContact CG-CB 4.41Å; K95-D99 IonicContact NZ-OD1 3.6Å; Q96-D99 PolarHBondContact N-OD2 2.92Å; Q96-D99 WeakPolarHBondContact O-CB 3.39Å; Q96-D99 PolarHBondContact O-N 3.16Å; D99-K101 VanDerWaalsContact C-N 3.35Å; D99-E102 PolarHBondContact O-N 3.39Å; D99-Q103 WeakPolarHBondContact O-CB 3.37Å; D99-Q103 PolarHBondContact O-N 3.39Å |
| 100 | L | 97 | Very high | 94.9 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.9 | -67.6 | -179 | 0 | 0 | 0 | 110.7 | F68 L86 K95 Q96 D97 Q103 F104 F125 | F68-L100 HydrophobicContact CE2-CD2 3.54Å; F68-L100 HydrophobicContact CZ-CD2 3.97Å; L86-L100 VanDerWaalsContact O-CD2 3.31Å; L86-L100 WeakPolarHBondContact O-CD2 3.28Å; K95-L100 HydrophobicContact CB-CD2 4.33Å; Q96-L100 PolarHBondContact O-N 3.46Å; D97-L100 PolarHBondContact O-N 3.26Å; L100-Q103 PolarHBondContact O-N 2.8Å; L100-F104 VanDerWaalsContact O-CB 3.25Å; L100-F104 WeakPolarHBondContact O-CB 3.3Å; L100-F104 PolarHBondContact O-N 3.39Å; L100-F125 VanDerWaalsContact C-CD2 3.43Å; L100-F125 HydrophobicContact CB-CB 4.14Å; L100-F125 HydrophobicContact CB-CD2 3.52Å; L100-F125 HydrophobicContact CB-CE2 3.96Å; L100-F125 HydrophobicContact CB-CG 3.89Å; L100-F125 WeakPolarHBondContact O-CD2 2.91Å |
| 101 | K | 97.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 180 | 175.7 | 179.4 | 59.2 | -167.4 | 0 | 111.5 | D97 D98 D99 F104 I105 P122 D123 F125 A128 | D97-K101 VanDerWaalsContact O-CB 3.23Å; D97-K101 WeakPolarHBondContact O-CB 3.33Å; D97-K101 PolarHBondContact O-N 3.31Å; D98-K101 PolarHBondContact O-N 3.38Å; D98-K101 VanDerWaalsContact OD1-CE 3.31Å; D98-K101 WeakPolarHBondContact OD1-CE 3.3Å; D98-K101 IonicContact OD1-NZ 3.91Å; D98-K101 PolarHBondContact OD1-NZ 2.83Å; D99-K101 VanDerWaalsContact C-N 3.35Å; K101-F104 PolarHBondContact O-N 3.11Å; K101-I105 HydrophobicContact CG-CD1 4.08Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.41Å; K101-I105 PolarHBondContact O-N 3.47Å; K101-P122 HydrophobicContact CD-CB 4.38Å; K101-P122 HydrophobicContact CD-CG 4.15Å; K101-P122 VanDerWaalsContact CD-O 3.31Å; K101-P122 WeakPolarHBondContact CD-O 3.46Å; K101-P122 HydrophobicContact CG-CG 4.31Å; K101-D123 PolarHBondContact NZ-O 2.78Å; K101-F125 HydrophobicContact CB-CB 4.3Å; K101-A128 HydrophobicContact CG-CB 4.36Å |
| 102 | E | 95.9 | Very high | 95 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 55% | 0.547 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 178.5 | -72.6 | -178.4 | -178.4 | 0 | 0 | 111.5 | D98 D99 F104 I105 M106 | D98-E102 WeakPolarHBondContact O-CG 3.29Å; D98-E102 PolarHBondContact O-N 2.96Å; D99-E102 PolarHBondContact O-N 3.39Å; E102-F104 VanDerWaalsContact C-N 3.33Å; E102-F104 PolarHBondContact O-N 2.9Å; E102-I105 PolarHBondContact O-N 3.44Å; E102-M106 WeakPolarHBondContact O-CG 3.17Å; E102-M106 PolarHBondContact O-N 3.39Å |
| 103 | Q | 96.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 177.4 | -172.6 | 62.6 | 22.7 | 0 | 0 | 112 | F68 L69 R71 L86 D99 L100 G107 | F68-Q103 HydrophobicContact CE1-CB 3.98Å; F68-Q103 HydrophobicContact CE1-CG 4.12Å; F68-Q103 HydrophobicContact CE2-CB 4.35Å; F68-Q103 HydrophobicContact CE2-CG 4.31Å; F68-Q103 HydrophobicContact CZ-CB 3.65Å; F68-Q103 HydrophobicContact CZ-CG 3.96Å; F68-Q103 WeakPolarHBondContact O-CG 3.34Å; F68-Q103 PolarHBondContact O-NE2 2.94Å; F68-Q103 VanDerWaalsContact O-NE2 3.14Å; L69-Q103 PolarHBondContact O-NE2 2.91Å; R71-Q103 PolarHBondContact O-NE2 3.17Å; L86-Q103 HydrophobicContact CD1-CG 4.46Å; L86-Q103 HydrophobicContact CD2-CB 4.39Å; L86-Q103 HydrophobicContact CD2-CG 3.62Å; D99-Q103 WeakPolarHBondContact O-CB 3.37Å; D99-Q103 PolarHBondContact O-N 3.39Å; L100-Q103 PolarHBondContact O-N 2.8Å; Q103-G107 WeakPolarHBondContact O-CA 3.2Å; Q103-G107 PolarHBondContact O-N 2.75Å |
| 104 | F | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 174.9 | -179.1 | -102 | 0 | 0 | 0 | 111.7 | V79 F82 A83 L86 L100 K101 E102 M106 G107 L108 L117 F125 A128 V129 A132 | V79-F104 HydrophobicContact CG1-CE2 3.92Å; V79-F104 HydrophobicContact CG1-CZ 3.58Å; F82-F104 AromaticContact CD1-CD2 3.7Å; F82-F104 HydrophobicContact CD1-CD2 3.7Å; F82-F104 AromaticContact CD1-CE2 3.71Å; F82-F104 HydrophobicContact CD1-CE2 3.71Å; F82-F104 AromaticContact CE1-CD2 3.5Å; F82-F104 HydrophobicContact CE1-CD2 3.5Å; F82-F104 VanDerWaalsContact CE1-CD2 3.5Å; F82-F104 AromaticContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CE2 3.93Å; F82-F104 HydrophobicContact CE1-CG 4.26Å; A83-F104 HydrophobicContact CB-CD2 4.39Å; A83-F104 HydrophobicContact CB-CE2 3.98Å; L86-F104 HydrophobicContact CD1-CB 3.92Å; L86-F104 HydrophobicContact CD1-CD2 4.09Å; L100-F104 VanDerWaalsContact O-CB 3.25Å; L100-F104 WeakPolarHBondContact O-CB 3.3Å; L100-F104 PolarHBondContact O-N 3.39Å; K101-F104 PolarHBondContact O-N 3.11Å; E102-F104 VanDerWaalsContact C-N 3.33Å; E102-F104 PolarHBondContact O-N 2.9Å; F104-M106 PolarHBondContact O-N 2.78Å; F104-G107 PolarHBondContact O-N 2.95Å; F104-L108 HydrophobicContact CD1-CD1 4.21Å; F104-L108 HydrophobicContact CE1-CD1 3.81Å; F104-L108 HydrophobicContact CE1-CD2 4.49Å; F104-L108 HydrophobicContact CE1-CG 4.31Å; F104-L108 HydrophobicContact CE2-CD2 4.17Å; F104-L108 HydrophobicContact CZ-CD1 4.15Å; F104-L108 HydrophobicContact CZ-CD2 4.01Å; F104-L108 HydrophobicContact CZ-CG 4.29Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.32Å; F104-L108 PolarHBondContact O-N 3.15Å; F104-L108 VanDerWaalsContact O-N 3.1Å; F104-L117 HydrophobicContact CE1-CD1 4.2Å; F104-F125 HydrophobicContact CB-CD2 4Å; F104-F125 HydrophobicContact CB-CE2 3.67Å; F104-F125 HydrophobicContact CD2-CE2 4.02Å; F104-F125 HydrophobicContact CD2-CZ 4.43Å; F104-F125 HydrophobicContact CG-CD2 4.42Å; F104-F125 AromaticContact CG-CE2 3.98Å; F104-F125 HydrophobicContact CG-CE2 3.98Å; F104-A128 HydrophobicContact CD1-CB 3.87Å; F104-A128 HydrophobicContact CE1-CB 4.1Å; F104-V129 HydrophobicContact CD2-CG2 4.39Å; F104-V129 HydrophobicContact CE1-CG2 4.22Å; F104-V129 HydrophobicContact CE2-CG2 3.94Å; F104-V129 HydrophobicContact CZ-CB 4.34Å; F104-V129 HydrophobicContact CZ-CG2 3.84Å; F104-A132 HydrophobicContact CE1-CB 4.02Å; F104-A132 HydrophobicContact CZ-CB 3.94Å |
| 105 | I | 97.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | -179.4 | -65.4 | 167.3 | 0 | 0 | 0 | 110.7 | K101 E102 Q114 L117 L118 P122 | K101-I105 HydrophobicContact CG-CD1 4.08Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.41Å; K101-I105 PolarHBondContact O-N 3.47Å; E102-I105 PolarHBondContact O-N 3.44Å; I105-Q114 VanDerWaalsContact O-CG 3.3Å; I105-Q114 WeakPolarHBondContact O-CG 3.25Å; I105-L117 HydrophobicContact CD1-CB 4.46Å; I105-L117 HydrophobicContact CG1-CB 4.12Å; I105-L117 HydrophobicContact CG1-CD1 4.28Å; I105-L117 HydrophobicContact CG2-CB 4.34Å; I105-L118 HydrophobicContact CG2-CD2 3.8Å; I105-L118 HydrophobicContact CG2-CG 3.91Å; I105-P122 HydrophobicContact CD1-CG 3.93Å |
| 106 | M | 95.1 | Very high | 96 | Very high | 125 Ų | 125 | 56.1 Ų | 56.1 | 62% | 0.616 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.2 | -33.1 | -179.9 | -68.2 | -169.3 | -63 | 0 | 0 | 112.9 | E102 F104 Q114 | E102-M106 WeakPolarHBondContact O-CG 3.17Å; E102-M106 PolarHBondContact O-N 3.39Å; F104-M106 PolarHBondContact O-N 2.78Å; M106-Q114 PolarHBondContact O-NE2 3.43Å; M106-Q114 VanDerWaalsContact O-NE2 3.11Å |
| 107 | G | 96.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -86.5 | -11.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V72 Q73 Q103 F104 | V72-G107 CarbonylContact C-O 3.45Å; V72-G107 WeakPolarHBondContact CA-O 3.4Å; Q73-G107 WeakPolarHBondContact CB-O 3.46Å; Q73-G107 PolarHBondContact N-O 2.92Å; Q103-G107 WeakPolarHBondContact O-CA 3.2Å; Q103-G107 PolarHBondContact O-N 2.75Å; F104-G107 PolarHBondContact O-N 2.95Å |
| 108 | L | 97.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | trans | -59.9 | 141.1 | 178.5 | -85.2 | 169.2 | 0 | 0 | 0 | 112.6 | V79 F82 F104 Q114 L117 A132 | V79-L108 HydrophobicContact CG1-CD2 4.43Å; F82-L108 HydrophobicContact CD1-CD2 4.08Å; F82-L108 HydrophobicContact CE1-CD2 4.16Å; F82-L108 HydrophobicContact CE1-CG 4.19Å; F104-L108 HydrophobicContact CD1-CD1 4.21Å; F104-L108 HydrophobicContact CE1-CD1 3.81Å; F104-L108 HydrophobicContact CE1-CD2 4.49Å; F104-L108 HydrophobicContact CE1-CG 4.31Å; F104-L108 HydrophobicContact CE2-CD2 4.17Å; F104-L108 HydrophobicContact CZ-CD1 4.15Å; F104-L108 HydrophobicContact CZ-CD2 4.01Å; F104-L108 HydrophobicContact CZ-CG 4.29Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.32Å; F104-L108 PolarHBondContact O-N 3.15Å; F104-L108 VanDerWaalsContact O-N 3.1Å; L108-Q114 HydrophobicContact CB-CG 3.89Å; L108-Q114 PolarHBondContact O-NE2 3.04Å; L108-L117 HydrophobicContact CD1-CD1 3.22Å; L108-A132 HydrophobicContact CD1-CB 4.47Å | ||
| 109 | Q | 95.5 | Very high | 96 | Very high | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -72.8 | -37.4 | -179.1 | -175.9 | 179.9 | 47.9 | 0 | 0 | 112.4 | Q73 T111 | Q73-Q109 HydrophobicContact CB-CB 4.09Å; Q73-Q109 HydrophobicContact CG-CB 4.11Å; Q109-T111 PolarHBondContact O-N 2.86Å |
| 110 | D | 94.5 | Very high | 96 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | trans | -81.3 | 103.5 | -176.5 | -179.4 | 3.3 | 0 | 0 | 0 | 111 | A112 A113 Q114 Y135 Q139 | D110-A112 PolarHBondContact O-N 3.47Å; D110-A112 VanDerWaalsContact O-N 3.14Å; D110-A112 WeakPolarHBondContact OD1-CA 3.42Å; D110-A112 VanDerWaalsContact OD1-CB 3.29Å; D110-A112 WeakPolarHBondContact OD1-CB 3.3Å; D110-A112 PolarHBondContact OD1-N 3.33Å; D110-A113 HydrophobicContact CB-CB 3.85Å; D110-A113 WeakPolarHBondContact O-CB 3.42Å; D110-A113 PolarHBondContact O-N 3.45Å; D110-A113 PolarHBondContact OD1-N 3.02Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 3.34Å; D110-Y135 WeakPolarHBondContact OD2-CE1 3.31Å; D110-Q139 PolarHBondContact OD2-NE2 3.28Å; D110-Q139 PolarHBondContact OD2-OE1 3.49Å | ||
| 111 | T | 94.5 | Very high | 95.9 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -23.6 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | Q109 R115 | Q109-T111 PolarHBondContact O-N 2.86Å; T111-R115 WeakPolarHBondContact O-CG 3.36Å; T111-R115 PolarHBondContact O-N 3.27Å; T111-R115 PolarHBondContact O-NH1 2.85Å; T111-R115 PolarHBondContact OG1-NH1 2.96Å; T111-R115 VanDerWaalsContact OG1-NH1 3.09Å |
| 112 | A | 94.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76.9 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D110 R115 H116 Y135 | D110-A112 PolarHBondContact O-N 3.47Å; D110-A112 VanDerWaalsContact O-N 3.14Å; D110-A112 WeakPolarHBondContact OD1-CA 3.42Å; D110-A112 VanDerWaalsContact OD1-CB 3.29Å; D110-A112 WeakPolarHBondContact OD1-CB 3.3Å; D110-A112 PolarHBondContact OD1-N 3.33Å; A112-R115 PolarHBondContact O-N 3.23Å; A112-H116 WeakPolarHBondContact O-CB 3.48Å; A112-H116 PolarHBondContact O-N 2.91Å; A112-Y135 HydrophobicContact CB-CE1 4.28Å; A112-Y135 WeakPolarHBondContact CB-OH 3.26Å |
| 113 | A | 95.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 66 Ų | 66 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | D110 R115 H116 L117 Y135 | D110-A113 HydrophobicContact CB-CB 3.85Å; D110-A113 WeakPolarHBondContact O-CB 3.42Å; D110-A113 PolarHBondContact O-N 3.45Å; D110-A113 PolarHBondContact OD1-N 3.02Å; A113-R115 PolarHBondContact O-N 3.46Å; A113-H116 WeakPolarHBondContact O-CB 3.26Å; A113-H116 PolarHBondContact O-N 3.34Å; A113-L117 WeakPolarHBondContact O-CG 3.47Å; A113-L117 PolarHBondContact O-N 2.87Å; A113-Y135 HydrophobicContact CB-CD1 3.57Å; A113-Y135 HydrophobicContact CB-CE1 3.77Å; A113-Y135 HydrophobicContact CB-CG 4.43Å |
| 114 | Q | 96.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 67.3 Ų | 67.3 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.4 | -50.8 | 175 | -65.6 | -170.4 | -10.4 | 0 | 0 | 111.5 | I105 M106 L108 D110 H116 L117 L118 | I105-Q114 VanDerWaalsContact O-CG 3.3Å; I105-Q114 WeakPolarHBondContact O-CG 3.25Å; M106-Q114 PolarHBondContact O-NE2 3.43Å; M106-Q114 VanDerWaalsContact O-NE2 3.11Å; L108-Q114 HydrophobicContact CB-CG 3.89Å; L108-Q114 PolarHBondContact O-NE2 3.04Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 3.34Å; Q114-H116 VanDerWaalsContact C-N 3.34Å; Q114-H116 PolarHBondContact O-N 3.02Å; Q114-L117 PolarHBondContact O-N 2.9Å; Q114-L118 WeakPolarHBondContact O-CG 3.49Å; Q114-L118 PolarHBondContact O-N 3.18Å |
| 115 | R | 96 | Very high | 95.9 | Very high | 151 Ų | 151 | 67.4 Ų | 67.4 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 177.5 | -71 | 179.5 | -167.8 | 98.4 | -4.2 | 111.7 | T111 A112 A113 L117 L118 D119 | T111-R115 WeakPolarHBondContact O-CG 3.36Å; T111-R115 PolarHBondContact O-N 3.27Å; T111-R115 PolarHBondContact O-NH1 2.85Å; T111-R115 PolarHBondContact OG1-NH1 2.96Å; T111-R115 VanDerWaalsContact OG1-NH1 3.09Å; A112-R115 PolarHBondContact O-N 3.23Å; A113-R115 PolarHBondContact O-N 3.46Å; R115-L117 VanDerWaalsContact C-N 3.28Å; R115-L117 PolarHBondContact O-N 2.87Å; R115-L118 PolarHBondContact O-N 3.43Å; R115-D119 PolarHBondContact O-N 3.45Å |
| 116 | H | 96.1 | Very high | 96 | Very high | 63 Ų | 63 | 70.8 Ų | 70.8 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 177.8 | -168.8 | 67.3 | 0 | 0 | 0 | 112.4 | A112 A113 Q114 K120 Y135 | A112-H116 WeakPolarHBondContact O-CB 3.48Å; A112-H116 PolarHBondContact O-N 2.91Å; A113-H116 WeakPolarHBondContact O-CB 3.26Å; A113-H116 PolarHBondContact O-N 3.34Å; Q114-H116 VanDerWaalsContact C-N 3.34Å; Q114-H116 PolarHBondContact O-N 3.02Å; H116-K120 WeakPolarHBondContact O-CB 3.44Å; H116-K120 VanDerWaalsContact O-CG 3.22Å; H116-K120 WeakPolarHBondContact O-CG 3.34Å; H116-K120 PolarHBondContact O-N 2.82Å; H116-Y135 HydrophobicContact CB-CD2 3.91Å; H116-Y135 HydrophobicContact CB-CE2 3.97Å; H116-Y135 AromaticContact CD2-CD2 3.66Å; H116-Y135 AromaticContact CG-CD2 3.64Å; H116-Y135 AromaticContact CG-CE2 4Å |
| 117 | L | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69 | -43.1 | 176 | -73.6 | 161.5 | 0 | 0 | 0 | 112.4 | F104 I105 L108 A113 Q114 R115 D119 K120 R121 P122 A128 I131 A132 | F104-L117 HydrophobicContact CE1-CD1 4.2Å; I105-L117 HydrophobicContact CD1-CB 4.46Å; I105-L117 HydrophobicContact CG1-CB 4.12Å; I105-L117 HydrophobicContact CG1-CD1 4.28Å; I105-L117 HydrophobicContact CG2-CB 4.34Å; L108-L117 HydrophobicContact CD1-CD1 3.22Å; A113-L117 WeakPolarHBondContact O-CG 3.47Å; A113-L117 PolarHBondContact O-N 2.87Å; Q114-L117 PolarHBondContact O-N 2.9Å; R115-L117 VanDerWaalsContact C-N 3.28Å; R115-L117 PolarHBondContact O-N 2.87Å; L117-D119 VanDerWaalsContact C-N 3.28Å; L117-D119 PolarHBondContact O-N 3.44Å; L117-K120 PolarHBondContact O-N 3.41Å; L117-R121 PolarHBondContact O-N 2.75Å; L117-P122 HydrophobicContact CD2-CG 4.43Å; L117-P122 VanDerWaalsContact O-CD 3.24Å; L117-P122 WeakPolarHBondContact O-CD 3.34Å; L117-A128 HydrophobicContact CD2-CB 4.18Å; L117-A128 WeakPolarHBondContact CD2-O 3.36Å; L117-I131 HydrophobicContact CD2-CB 3.64Å; L117-I131 HydrophobicContact CD2-CD1 4.43Å; L117-I131 HydrophobicContact CD2-CG2 3.52Å; L117-I131 HydrophobicContact CG-CG2 4.27Å; L117-A132 HydrophobicContact CD1-CB 4.33Å |
| 118 | L | 95 | Very high | 96.2 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 56% | 0.555 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 176.2 | -70.3 | 172.6 | 0 | 0 | 0 | 112.2 | I105 Q114 R115 R121 | I105-L118 HydrophobicContact CG2-CD2 3.8Å; I105-L118 HydrophobicContact CG2-CG 3.91Å; Q114-L118 WeakPolarHBondContact O-CG 3.49Å; Q114-L118 PolarHBondContact O-N 3.18Å; R115-L118 PolarHBondContact O-N 3.43Å; L118-R121 WeakPolarHBondContact O-CG 3.5Å |
| 119 | D | 95 | Very high | 96.2 | Very high | 137 Ų | 137 | 68.3 Ų | 68.3 | 73% | 0.733 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -72.1 | -39.1 | 175.9 | -74.5 | -14.9 | 0 | 0 | 0 | 112.3 | R115 L117 | R115-D119 PolarHBondContact O-N 3.45Å; L117-D119 VanDerWaalsContact C-N 3.28Å; L117-D119 PolarHBondContact O-N 3.44Å |
| 120 | K | 94.9 | Very high | 96.3 | Very high | 127 Ų | 127 | 68.4 Ų | 68.4 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -74.5 | -27.9 | -179.9 | -74.9 | -73 | -177.4 | 178.6 | 0 | 113.7 | H116 L117 I131 | H116-K120 WeakPolarHBondContact O-CB 3.44Å; H116-K120 VanDerWaalsContact O-CG 3.22Å; H116-K120 WeakPolarHBondContact O-CG 3.34Å; H116-K120 PolarHBondContact O-N 2.82Å; L117-K120 PolarHBondContact O-N 3.41Å; K120-I131 HydrophobicContact CB-CD1 4.07Å; K120-I131 HydrophobicContact CG-CG2 4.35Å |
| 121 | R | 94.9 | Very high | 96.5 | Very high | 203 Ų | 203 | 67.4 Ų | 67.4 | 77% | 0.766 | 33% | 0.33 | S | S | * | . | trans | 51.6 | 76 | -176.5 | -62.4 | -175.2 | 176.8 | 178.9 | -2.7 | 112.3 | L117 L118 D123 | L117-R121 PolarHBondContact O-N 2.75Å; L118-R121 WeakPolarHBondContact O-CG 3.5Å; R121-D123 PolarHBondContact O-N 3.36Å | ||
| 122 | P | 96.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | trans | -59.8 | 138.7 | 173.6 | 24.3 | -31.3 | 0 | 0 | 0 | 111.1 | K101 I105 L117 Q127 A128 I131 | K101-P122 HydrophobicContact CD-CB 4.38Å; K101-P122 HydrophobicContact CD-CG 4.15Å; K101-P122 VanDerWaalsContact CD-O 3.31Å; K101-P122 WeakPolarHBondContact CD-O 3.46Å; K101-P122 HydrophobicContact CG-CG 4.31Å; I105-P122 HydrophobicContact CD1-CG 3.93Å; L117-P122 HydrophobicContact CD2-CG 4.43Å; L117-P122 VanDerWaalsContact O-CD 3.24Å; L117-P122 WeakPolarHBondContact O-CD 3.34Å; P122-Q127 HydrophobicContact CB-CB 4.21Å; P122-Q127 HydrophobicContact CB-CG 4.39Å; P122-A128 HydrophobicContact CB-CB 3.84Å; P122-A128 HydrophobicContact CG-CB 3.65Å; P122-I131 HydrophobicContact CB-CD1 4.16Å | ||
| 123 | D | 95.5 | Very high | 96.7 | Very high | 128 Ų | 128 | 66 Ų | 66 | 68% | 0.684 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75 | -32.1 | 174.2 | -59.2 | -44 | 0 | 0 | 0 | 111 | K101 R121 | K101-D123 PolarHBondContact NZ-O 2.78Å; R121-D123 PolarHBondContact O-N 3.36Å |
| 124 | S | 97.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 71.2 Ų | 71.2 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -136.7 | 165.2 | -179.9 | 71.2 | 0 | 0 | 0 | 0 | 114.5 | D97 Q127 A128 | D97-S124 WeakPolarHBondContact OD2-CA 3.28Å; D97-S124 VanDerWaalsContact OD2-CB 3.26Å; D97-S124 WeakPolarHBondContact OD2-CB 3.46Å; S124-Q127 PolarHBondContact O-N 3.15Å; S124-Q127 PolarHBondContact OG-N 3.45Å; S124-A128 PolarHBondContact O-N 3.46Å |
| 125 | F | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 174.6 | 176.2 | -101.9 | 0 | 0 | 0 | 112 | A83 L86 R87 D97 L100 K101 F104 Q127 A128 V129 | A83-F125 HydrophobicContact CB-CE1 4.34Å; A83-F125 HydrophobicContact CB-CZ 3.92Å; L86-F125 HydrophobicContact CB-CE2 4.42Å; L86-F125 HydrophobicContact CB-CZ 4.33Å; L86-F125 HydrophobicContact CD1-CE2 4.38Å; R87-F125 HydrophobicContact CG-CD1 4.41Å; R87-F125 HydrophobicContact CG-CE1 3.6Å; R87-F125 HydrophobicContact CG-CZ 4.1Å; D97-F125 WeakPolarHBondContact OD1-CB 3.43Å; D97-F125 PolarHBondContact OD1-N 2.86Å; D97-F125 PolarHBondContact OD2-N 3.14Å; L100-F125 VanDerWaalsContact C-CD2 3.43Å; L100-F125 HydrophobicContact CB-CB 4.14Å; L100-F125 HydrophobicContact CB-CD2 3.52Å; L100-F125 HydrophobicContact CB-CE2 3.96Å; L100-F125 HydrophobicContact CB-CG 3.89Å; L100-F125 WeakPolarHBondContact O-CD2 2.91Å; K101-F125 HydrophobicContact CB-CB 4.3Å; F104-F125 HydrophobicContact CB-CD2 4Å; F104-F125 HydrophobicContact CB-CE2 3.67Å; F104-F125 HydrophobicContact CD2-CE2 4.02Å; F104-F125 HydrophobicContact CD2-CZ 4.43Å; F104-F125 HydrophobicContact CG-CD2 4.42Å; F104-F125 AromaticContact CG-CE2 3.98Å; F104-F125 HydrophobicContact CG-CE2 3.98Å; F125-Q127 VanDerWaalsContact C-N 3.27Å; F125-Q127 PolarHBondContact O-N 2.96Å; F125-A128 WeakPolarHBondContact O-CA 3.35Å; F125-A128 VanDerWaalsContact O-CB 3.29Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 3.38Å; F125-V129 HydrophobicContact CD1-CG2 4.2Å; F125-V129 HydrophobicContact CE1-CG2 3.84Å; F125-V129 HydrophobicContact CE2-CG2 4.43Å; F125-V129 HydrophobicContact CZ-CG2 4Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 2.87Å |
| 126 | D | 97.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 68 Ų | 68 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 179.6 | -74.1 | -35.3 | 0 | 0 | 0 | 112.3 | R87 V129 Q130 | R87-D126 IonicContact CZ-OD1 3.74Å; R87-D126 IonicContact NE-OD1 3.83Å; R87-D126 IonicContact NH2-OD1 2.8Å; R87-D126 PolarHBondContact NH2-OD1 3.29Å; D126-V129 PolarHBondContact O-N 3.23Å; D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3Å |
| 127 | Q | 97.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 68 Ų | 68 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 173.6 | -165 | -174.1 | 28.4 | 0 | 0 | 111.3 | P122 S124 F125 Q130 I131 | P122-Q127 HydrophobicContact CB-CB 4.21Å; P122-Q127 HydrophobicContact CB-CG 4.39Å; S124-Q127 PolarHBondContact O-N 3.15Å; S124-Q127 PolarHBondContact OG-N 3.45Å; F125-Q127 VanDerWaalsContact C-N 3.27Å; F125-Q127 PolarHBondContact O-N 2.96Å; Q127-Q130 PolarHBondContact O-N 2.93Å; Q127-I131 HydrophobicContact CG-CD1 4.11Å; Q127-I131 VanDerWaalsContact O-CG1 3.27Å; Q127-I131 WeakPolarHBondContact O-CG1 3.2Å; Q127-I131 PolarHBondContact O-N 3.09Å |
| 128 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K101 F104 L117 P122 S124 F125 Q130 I131 A132 | K101-A128 HydrophobicContact CG-CB 4.36Å; F104-A128 HydrophobicContact CD1-CB 3.87Å; F104-A128 HydrophobicContact CE1-CB 4.1Å; L117-A128 HydrophobicContact CD2-CB 4.18Å; L117-A128 WeakPolarHBondContact CD2-O 3.36Å; P122-A128 HydrophobicContact CB-CB 3.84Å; P122-A128 HydrophobicContact CG-CB 3.65Å; S124-A128 PolarHBondContact O-N 3.46Å; F125-A128 WeakPolarHBondContact O-CA 3.35Å; F125-A128 VanDerWaalsContact O-CB 3.29Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 3.38Å; A128-Q130 VanDerWaalsContact C-N 3.34Å; A128-Q130 PolarHBondContact O-N 3.47Å; A128-I131 PolarHBondContact O-N 3.24Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.42Å |
| 129 | V | 98.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | A83 F104 F125 D126 I131 A132 K133 | A83-V129 HydrophobicContact CB-CG1 4.33Å; A83-V129 HydrophobicContact CB-CG2 3.72Å; F104-V129 HydrophobicContact CD2-CG2 4.39Å; F104-V129 HydrophobicContact CE1-CG2 4.22Å; F104-V129 HydrophobicContact CE2-CG2 3.94Å; F104-V129 HydrophobicContact CZ-CB 4.34Å; F104-V129 HydrophobicContact CZ-CG2 3.84Å; F125-V129 HydrophobicContact CD1-CG2 4.2Å; F125-V129 HydrophobicContact CE1-CG2 3.84Å; F125-V129 HydrophobicContact CE2-CG2 4.43Å; F125-V129 HydrophobicContact CZ-CG2 4Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 2.87Å; D126-V129 PolarHBondContact O-N 3.23Å; V129-I131 PolarHBondContact O-N 3.16Å; V129-A132 PolarHBondContact O-N 3.33Å; V129-K133 HydrophobicContact CG1-CD 4.31Å; V129-K133 WeakPolarHBondContact O-CG 3.34Å; V129-K133 PolarHBondContact O-N 3.03Å |
| 130 | Q | 97.9 | Very high | 96.5 | Very high | 96 Ų | 96 | 64.7 Ų | 64.7 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 180 | -174.1 | 62.2 | 6.2 | 0 | 0 | 112.7 | D126 Q127 A128 A132 K133 Q134 | D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3Å; Q127-Q130 PolarHBondContact O-N 2.93Å; A128-Q130 VanDerWaalsContact C-N 3.34Å; A128-Q130 PolarHBondContact O-N 3.47Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-K133 PolarHBondContact O-N 3.32Å; Q130-Q134 VanDerWaalsContact O-CG 3.31Å; Q130-Q134 WeakPolarHBondContact O-CG 3.26Å; Q130-Q134 PolarHBondContact O-N 3.1Å |
| 131 | I | 97.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.2 | -68.4 | 164.9 | 0 | 0 | 0 | 110.3 | L117 K120 P122 Q127 A128 V129 K133 Q134 Y135 | L117-I131 HydrophobicContact CD2-CB 3.64Å; L117-I131 HydrophobicContact CD2-CD1 4.43Å; L117-I131 HydrophobicContact CD2-CG2 3.52Å; L117-I131 HydrophobicContact CG-CG2 4.27Å; K120-I131 HydrophobicContact CB-CD1 4.07Å; K120-I131 HydrophobicContact CG-CG2 4.35Å; P122-I131 HydrophobicContact CB-CD1 4.16Å; Q127-I131 HydrophobicContact CG-CD1 4.11Å; Q127-I131 VanDerWaalsContact O-CG1 3.27Å; Q127-I131 WeakPolarHBondContact O-CG1 3.2Å; Q127-I131 PolarHBondContact O-N 3.09Å; A128-I131 PolarHBondContact O-N 3.24Å; V129-I131 PolarHBondContact O-N 3.16Å; I131-K133 PolarHBondContact O-N 3.04Å; I131-Q134 PolarHBondContact O-N 3.34Å; I131-Y135 WeakPolarHBondContact O-CB 3.23Å; I131-Y135 PolarHBondContact O-N 2.69Å |
| 132 | A | 97.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V79 F104 L108 L117 A128 V129 Q130 Y135 R136 | V79-A132 HydrophobicContact CG1-CB 3.91Å; F104-A132 HydrophobicContact CE1-CB 4.02Å; F104-A132 HydrophobicContact CZ-CB 3.94Å; L108-A132 HydrophobicContact CD1-CB 4.47Å; L117-A132 HydrophobicContact CD1-CB 4.33Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.42Å; V129-A132 PolarHBondContact O-N 3.33Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; A132-Y135 PolarHBondContact O-N 3.43Å; A132-R136 PolarHBondContact O-N 2.87Å |
| 133 | K | 97 | Very high | 96.4 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 174.1 | -74.2 | 175.8 | 176 | -174.8 | 0 | 112.3 | D80 V129 Q130 I131 Y135 R136 A137 | D80-K133 WeakPolarHBondContact OD1-CE 3.37Å; D80-K133 IonicContact OD1-NZ 3.9Å; D80-K133 PolarHBondContact OD1-NZ 3.06Å; D80-K133 VanDerWaalsContact OD2-CE 3.29Å; D80-K133 WeakPolarHBondContact OD2-CE 3.31Å; D80-K133 IonicContact OD2-NZ 2.79Å; V129-K133 HydrophobicContact CG1-CD 4.31Å; V129-K133 WeakPolarHBondContact O-CG 3.34Å; V129-K133 PolarHBondContact O-N 3.03Å; Q130-K133 PolarHBondContact O-N 3.32Å; I131-K133 PolarHBondContact O-N 3.04Å; K133-Y135 VanDerWaalsContact C-N 3.27Å; K133-Y135 PolarHBondContact O-N 3.39Å; K133-R136 PolarHBondContact O-N 3.36Å; K133-A137 WeakPolarHBondContact O-CB 3.47Å; K133-A137 PolarHBondContact O-N 3.31Å |
| 134 | Q | 96.9 | Very high | 96.3 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 177.3 | -72.7 | 175.5 | 2.6 | 0 | 0 | 111.5 | Q130 I131 A137 A138 | Q130-Q134 VanDerWaalsContact O-CG 3.31Å; Q130-Q134 WeakPolarHBondContact O-CG 3.26Å; Q130-Q134 PolarHBondContact O-N 3.1Å; I131-Q134 PolarHBondContact O-N 3.34Å; Q134-A137 PolarHBondContact O-N 3.49Å; Q134-A138 WeakPolarHBondContact O-CB 3.19Å; Q134-A138 PolarHBondContact O-N 3.44Å |
| 135 | Y | 96.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.1 | -174.3 | -98.5 | 0 | 0 | 0 | 111.9 | D110 A112 A113 H116 I131 A132 K133 A137 A138 Q139 | D110-Y135 WeakPolarHBondContact OD2-CE1 3.31Å; A112-Y135 HydrophobicContact CB-CE1 4.28Å; A112-Y135 WeakPolarHBondContact CB-OH 3.26Å; A113-Y135 HydrophobicContact CB-CD1 3.57Å; A113-Y135 HydrophobicContact CB-CE1 3.77Å; A113-Y135 HydrophobicContact CB-CG 4.43Å; H116-Y135 HydrophobicContact CB-CD2 3.91Å; H116-Y135 HydrophobicContact CB-CE2 3.97Å; H116-Y135 AromaticContact CD2-CD2 3.66Å; H116-Y135 AromaticContact CG-CD2 3.64Å; H116-Y135 AromaticContact CG-CE2 4Å; I131-Y135 WeakPolarHBondContact O-CB 3.23Å; I131-Y135 PolarHBondContact O-N 2.69Å; A132-Y135 PolarHBondContact O-N 3.43Å; K133-Y135 VanDerWaalsContact C-N 3.27Å; K133-Y135 PolarHBondContact O-N 3.39Å; Y135-A137 PolarHBondContact O-N 2.85Å; Y135-A138 PolarHBondContact O-N 2.9Å; Y135-Q139 HydrophobicContact CD1-CG 4.34Å; Y135-Q139 HydrophobicContact CE1-CG 3.96Å; Y135-Q139 PolarHBondContact O-N 2.88Å; Y135-Q139 PolarHBondContact OH-NE2 2.83Å; Y135-Q139 VanDerWaalsContact OH-NE2 3.13Å |
| 136 | R | 94.8 | Very high | 95.8 | Very high | 82 Ų | 82 | 67.3 Ų | 67.3 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.1 | -76.9 | -158.6 | 176.3 | 178.4 | 5 | 112.5 | V79 A132 K133 A138 Q139 A140 | V79-R136 HydrophobicContact CG2-CG 4.36Å; V79-R136 VanDerWaalsContact CG2-NE 3.26Å; A132-R136 PolarHBondContact O-N 2.87Å; K133-R136 PolarHBondContact O-N 3.36Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-A138 PolarHBondContact O-N 2.82Å; R136-Q139 PolarHBondContact O-N 2.8Å; R136-A140 PolarHBondContact O-N 3.48Å |
| 137 | A | 95.2 | Very high | 95.5 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K133 Q134 Y135 S141 | K133-A137 WeakPolarHBondContact O-CB 3.47Å; K133-A137 PolarHBondContact O-N 3.31Å; Q134-A137 PolarHBondContact O-N 3.49Å; Y135-A137 PolarHBondContact O-N 2.85Å; A137-S141 PolarHBondContact O-N 2.84Å |
| 138 | A | 95.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 74.6 Ų | 74.6 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q134 Y135 R136 S141 V142 | Q134-A138 WeakPolarHBondContact O-CB 3.19Å; Q134-A138 PolarHBondContact O-N 3.44Å; Y135-A138 PolarHBondContact O-N 2.9Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-A138 PolarHBondContact O-N 2.82Å; A138-S141 WeakPolarHBondContact O-CB 3.44Å; A138-S141 PolarHBondContact O-N 3.31Å; A138-V142 WeakPolarHBondContact O-CG2 3.36Å; A138-V142 PolarHBondContact O-N 3.23Å |
| 139 | Q | 94.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 82 Ų | 82 | 29% | 0.285 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 175.2 | -75.9 | -174.7 | -30.7 | 0 | 0 | 111.8 | D110 Y135 R136 S141 V142 E143 | D110-Q139 PolarHBondContact OD2-NE2 3.28Å; D110-Q139 PolarHBondContact OD2-OE1 3.49Å; Y135-Q139 HydrophobicContact CD1-CG 4.34Å; Y135-Q139 HydrophobicContact CE1-CG 3.96Å; Y135-Q139 PolarHBondContact O-N 2.88Å; Y135-Q139 PolarHBondContact OH-NE2 2.83Å; Y135-Q139 VanDerWaalsContact OH-NE2 3.13Å; R136-Q139 PolarHBondContact O-N 2.8Å; Q139-S141 VanDerWaalsContact C-N 3.29Å; Q139-S141 PolarHBondContact O-N 3.46Å; Q139-V142 PolarHBondContact O-N 3.35Å; Q139-V142 VanDerWaalsContact O-N 3.16Å; Q139-E143 WeakPolarHBondContact O-CG 3.48Å; Q139-E143 PolarHBondContact O-N 3.46Å |
| 140 | A | 93.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 90.2 Ų | 90.2 | 48% | 0.479 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R136 N144 | R136-A140 PolarHBondContact O-N 3.48Å; A140-N144 WeakPolarHBondContact O-CB 3.42Å; A140-N144 PolarHBondContact O-N 3.34Å |
| 141 | S | 96.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 91.4 Ų | 91.4 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 175 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | A137 A138 Q139 N144 M145 | A137-S141 PolarHBondContact O-N 2.84Å; A138-S141 WeakPolarHBondContact O-CB 3.44Å; A138-S141 PolarHBondContact O-N 3.31Å; Q139-S141 VanDerWaalsContact C-N 3.29Å; Q139-S141 PolarHBondContact O-N 3.46Å; S141-N144 PolarHBondContact O-N 3.29Å; S141-M145 WeakPolarHBondContact O-CB 3.49Å; S141-M145 PolarHBondContact O-N 3.3Å |
| 142 | V | 94.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | A138 Q139 N144 M145 Q146 | A138-V142 WeakPolarHBondContact O-CG2 3.36Å; A138-V142 PolarHBondContact O-N 3.23Å; Q139-V142 PolarHBondContact O-N 3.35Å; Q139-V142 VanDerWaalsContact O-N 3.16Å; V142-N144 PolarHBondContact O-N 3.07Å; V142-M145 WeakPolarHBondContact O-CB 3.29Å; V142-M145 PolarHBondContact O-N 3.13Å; V142-Q146 HydrophobicContact CG1-CG 4.42Å; V142-Q146 VanDerWaalsContact O-CG 3.31Å; V142-Q146 WeakPolarHBondContact O-CG 3.34Å; V142-Q146 PolarHBondContact O-N 2.93Å |
| 143 | E | 93.5 | Very high | 91.4 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.3 | -75.2 | -174.4 | -166.2 | 0 | 0 | 112.2 | Q139 M145 Q146 R147 | Q139-E143 WeakPolarHBondContact O-CG 3.48Å; Q139-E143 PolarHBondContact O-N 3.46Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-M145 PolarHBondContact O-N 3.47Å; E143-Q146 PolarHBondContact O-N 2.83Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 3.05Å; E143-R147 IonicContact OE2-NH2 2.77Å; E143-R147 PolarHBondContact OE2-NH2 3.23Å |
| 144 | N | 93.6 | Very high | 90 | Very high | 94 Ų | 94 | 104.8 Ų | 104.8 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.2 | -170.5 | -5.6 | 0 | 0 | 0 | 110.9 | A140 S141 V142 Q146 R147 R148 | A140-N144 WeakPolarHBondContact O-CB 3.42Å; A140-N144 PolarHBondContact O-N 3.34Å; S141-N144 PolarHBondContact O-N 3.29Å; V142-N144 PolarHBondContact O-N 3.07Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 2.94Å; N144-R147 PolarHBondContact O-N 3.14Å; N144-R148 WeakPolarHBondContact O-CG 3.37Å; N144-R148 PolarHBondContact O-N 2.94Å |
| 145 | M | 92.6 | Very high | 88.1 | Confident | 129 Ų | 129 | 102.2 Ų | 102.2 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 175 | -169.6 | -178.2 | -57.7 | 0 | 0 | 112 | S141 V142 E143 R148 R149 | S141-M145 WeakPolarHBondContact O-CB 3.49Å; S141-M145 PolarHBondContact O-N 3.3Å; V142-M145 WeakPolarHBondContact O-CB 3.29Å; V142-M145 PolarHBondContact O-N 3.13Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-M145 PolarHBondContact O-N 3.47Å; M145-R148 PolarHBondContact O-N 3.04Å; M145-R149 WeakPolarHBondContact O-CB 3.13Å; M145-R149 PolarHBondContact O-N 3.01Å |
| 146 | Q | 93 | Very high | 85.7 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 176.5 | -72 | 176.7 | 4.8 | 0 | 0 | 112.2 | V142 E143 N144 R149 R150 | V142-Q146 HydrophobicContact CG1-CG 4.42Å; V142-Q146 VanDerWaalsContact O-CG 3.31Å; V142-Q146 WeakPolarHBondContact O-CG 3.34Å; V142-Q146 PolarHBondContact O-N 2.93Å; E143-Q146 PolarHBondContact O-N 2.83Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 2.94Å; Q146-R149 PolarHBondContact O-N 3.48Å; Q146-R150 WeakPolarHBondContact O-CG 3.49Å; Q146-R150 PolarHBondContact O-N 2.97Å |
| 147 | R | 91 | Very high | 83.5 | Confident | 157 Ų | 157 | 104.3 Ų | 104.3 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.9 | -47.6 | 174.2 | -72.1 | 179 | -158.8 | -173.7 | 8.2 | 110.9 | E143 N144 R149 R150 L151 | E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 3.05Å; E143-R147 IonicContact OE2-NH2 2.77Å; E143-R147 PolarHBondContact OE2-NH2 3.23Å; N144-R147 PolarHBondContact O-N 3.14Å; R147-R149 PolarHBondContact O-N 3.26Å; R147-R150 PolarHBondContact O-N 3.36Å; R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 2.9Å |
| 148 | R | 90.8 | Very high | 81.4 | Confident | 162 Ų | 162 | 109.9 Ų | 109.9 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.5 | -44.5 | 175.5 | -71.4 | 177.6 | 67.8 | -168.5 | 1.1 | 111.7 | N144 M145 R150 L151 M152 | N144-R148 WeakPolarHBondContact O-CG 3.37Å; N144-R148 PolarHBondContact O-N 2.94Å; M145-R148 PolarHBondContact O-N 3.04Å; R148-R150 PolarHBondContact O-N 3.44Å; R148-L151 PolarHBondContact O-N 3.37Å; R148-M152 VanDerWaalsContact O-CG 3.3Å; R148-M152 WeakPolarHBondContact O-CG 3.4Å; R148-M152 PolarHBondContact O-N 3.44Å; R148-M152 VanDerWaalsContact O-N 3.08Å |
| 149 | R | 89.6 | Confident | 79.3 | Confident | 154 Ų | 154 | 114.6 Ų | 114.6 | 58% | 0.581 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.6 | -45 | 175.9 | -174.4 | -179.7 | -179.7 | -171.4 | 1.8 | 111.5 | M145 Q146 R147 L151 M152 V153 E184 | M145-R149 WeakPolarHBondContact O-CB 3.13Å; M145-R149 PolarHBondContact O-N 3.01Å; Q146-R149 PolarHBondContact O-N 3.48Å; R147-R149 PolarHBondContact O-N 3.26Å; R149-L151 PolarHBondContact O-N 3.25Å; R149-M152 PolarHBondContact O-N 2.81Å; R149-V153 WeakPolarHBondContact O-CG2 3.38Å; R149-V153 PolarHBondContact O-N 2.74Å; R149-V153 VanDerWaalsContact O-N 3.08Å; R149-E184 IonicContact NH2-OE1 3.55Å; R149-E184 PolarHBondContact NH2-OE1 3.25Å |
| 150 | R | 85.8 | Confident | 77 | Confident | 178 Ų | 178 | 115.6 Ų | 115.6 | 67% | 0.672 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.1 | -46 | 177.6 | -76 | -179.8 | -175.6 | 174.8 | 3.4 | 111.8 | Q146 R147 R148 M152 V153 T154 | Q146-R150 WeakPolarHBondContact O-CG 3.49Å; Q146-R150 PolarHBondContact O-N 2.97Å; R147-R150 PolarHBondContact O-N 3.36Å; R148-R150 PolarHBondContact O-N 3.44Å; R150-M152 VanDerWaalsContact C-N 3.29Å; R150-M152 PolarHBondContact O-N 3.45Å; R150-V153 PolarHBondContact O-N 2.94Å; R150-V153 VanDerWaalsContact O-N 3.11Å; R150-T154 PolarHBondContact O-N 3.05Å; R150-T154 PolarHBondContact O-OG1 2.85Å |
| 151 | L | 83.5 | Confident | 75.1 | Confident | 121 Ų | 121 | 121.8 Ų | 121.8 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.3 | -38.3 | 177.3 | -68.7 | 171.9 | 0 | 0 | 0 | 112.5 | R147 R148 R149 V153 G155 | R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 2.9Å; R148-L151 PolarHBondContact O-N 3.37Å; R149-L151 PolarHBondContact O-N 3.25Å; L151-V153 VanDerWaalsContact C-N 3.34Å; L151-G155 WeakPolarHBondContact O-CA 3.35Å; L151-G155 PolarHBondContact O-N 3.02Å |
| 152 | M | 77.2 | Confident | 72.8 | Confident | 153 Ų | 153 | 123.3 Ų | 123.3 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.1 | -30.7 | 176.3 | -63.9 | -65.4 | -174.9 | 0 | 0 | 112.9 | R148 R149 R150 | R148-M152 VanDerWaalsContact O-CG 3.3Å; R148-M152 WeakPolarHBondContact O-CG 3.4Å; R148-M152 PolarHBondContact O-N 3.44Å; R148-M152 VanDerWaalsContact O-N 3.08Å; R149-M152 PolarHBondContact O-N 2.81Å; R150-M152 VanDerWaalsContact C-N 3.29Å; R150-M152 PolarHBondContact O-N 3.45Å |
| 153 | V | 74.5 | Confident | 71.1 | Confident | 114 Ų | 114 | 126.1 Ų | 126.1 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.9 | -36.4 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | R149 R150 L151 | R149-V153 WeakPolarHBondContact O-CG2 3.38Å; R149-V153 PolarHBondContact O-N 2.74Å; R149-V153 VanDerWaalsContact O-N 3.08Å; R150-V153 PolarHBondContact O-N 2.94Å; R150-V153 VanDerWaalsContact O-N 3.11Å; L151-V153 VanDerWaalsContact C-N 3.34Å |
| 154 | T | 67.9 | Low | 69 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -87.8 | -14.3 | 179.5 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | R150 G156 | R150-T154 PolarHBondContact O-N 3.05Å; R150-T154 PolarHBondContact O-OG1 2.85Å; T154-G156 PolarHBondContact O-N 3.22Å |
| 155 | G | 55.6 | Low | 67.2 | Low | 60 Ų | 60 | 129.3 Ų | 129.3 | 62% | 0.619 | 70% | 0.697 | S | S | * | * | trans | -76 | 34.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L151 C157 | L151-G155 WeakPolarHBondContact O-CA 3.35Å; L151-G155 PolarHBondContact O-N 3.02Å; G155-C157 PolarHBondContact O-N 3.32Å | ||
| 156 | G | 48 | Very low | 65.4 | Low | 58 Ų | 58 | 129.4 Ų | 129.4 | 60% | 0.598 | 71% | 0.71 | S | S | * | * | trans | -67 | 99.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T154 | T154-G156 PolarHBondContact O-N 3.22Š| ||
| 157 | C | 48.3 | Very low | 63.7 | Low | 118 Ų | 118 | 127 Ų | 127 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 40.9 | 92.9 | 149.9 | -55.7 | 0 | 0 | 0 | 0 | 116.7 | G155 | G155-C157 PolarHBondContact O-N 3.32Š|
| 158 | Q | 50.4 | Low | 62.1 | Low | 181 Ų | 181 | 122.5 Ų | 122.5 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | trans | -171.8 | 88.1 | 149.9 | -103.6 | 155.7 | 96 | 0 | 0 | 108 | ||||
| 159 | D | 50.3 | Low | 60.7 | Low | 154 Ų | 154 | 117.9 Ų | 117.9 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | trans | 178.1 | 128.3 | 131 | -88.3 | -20.2 | 0 | 0 | 0 | 110.8 | Y161 | D159-Y161 PolarHBondContact O-N 3.47Š| ||
| 160 | G | 46.4 | Very low | 59.9 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -72.5 | 123.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 161 | Y | 54.9 | Low | 59.6 | Low | 187 Ų | 187 | 112 Ų | 112 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -143.5 | 107.4 | 147.1 | 48.8 | -85.5 | 0 | 0 | 0 | 107 | D159 I163 | D159-Y161 PolarHBondContact O-N 3.47Å; Y161-I163 VanDerWaalsContact C-N 3.32Å; Y161-I163 HydrophobicContact CD2-CD1 3.79Å; Y161-I163 HydrophobicContact CD2-CG1 4.02Å; Y161-I163 HydrophobicContact CE2-CD1 4.04Å; Y161-I163 PolarHBondContact O-N 2.86Å | ||
| 162 | A | 46.5 | Very low | 59.3 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | trans | -69.3 | 90.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 163 | I | 59.7 | Low | 59.4 | Low | 135 Ų | 135 | 107.4 Ų | 107.4 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | trans | -88.8 | 105.5 | 159.2 | -67.6 | 172.4 | 0 | 0 | 0 | 105.5 | Y161 G165 | Y161-I163 VanDerWaalsContact C-N 3.32Å; Y161-I163 HydrophobicContact CD2-CD1 3.79Å; Y161-I163 HydrophobicContact CD2-CG1 4.02Å; Y161-I163 HydrophobicContact CE2-CD1 4.04Å; Y161-I163 PolarHBondContact O-N 2.86Å; I163-G165 PolarHBondContact O-N 3.33Å | ||
| 164 | E | 49.7 | Very low | 59.8 | Low | 203 Ų | 203 | 108.2 Ų | 108.2 | 95% | 0.949 | 67% | 0.67 | S | S | * | * | trans | -65.8 | 77.2 | 168.3 | -64 | -165.6 | 162.7 | 0 | 0 | 109.3 | ||||
| 165 | G | 55.5 | Low | 60.7 | Low | 52 Ų | 52 | 108.6 Ų | 108.6 | 54% | 0.536 | 67% | 0.667 | S | S | . | * | trans | -112 | 123.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | I163 G167 | I163-G165 PolarHBondContact O-N 3.33Å; G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 3.34Å | ||
| 166 | S | 55.7 | Low | 62.3 | Low | 131 Ų | 131 | 109.7 Ų | 109.7 | 92% | 0.916 | 66% | 0.658 | S | S | * | * | trans | -44 | 89.4 | 170 | 161.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 167 | G | 57.2 | Low | 64.1 | Low | 52 Ų | 52 | 110.6 Ų | 110.6 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 149.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G165 S169 | G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 3.34Å; G167-S169 PolarHBondContact O-N 3.22Å |
| 168 | P | 56.8 | Low | 66.1 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 40% | 0.403 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -50.3 | 132.2 | 173 | 20.5 | -30.9 | 0 | 0 | 0 | 108.9 | E172 N173 | P168-E172 HydrophobicContact CB-CB 4.07Å; P168-E172 HydrophobicContact CB-CG 4.08Å; P168-E172 VanDerWaalsContact CB-OE2 3.28Å; P168-E172 WeakPolarHBondContact CB-OE2 3.48Å; P168-N173 WeakPolarHBondContact CG-OD1 3.47Å; P168-N173 PolarHBondContact O-ND2 3.21Å |
| 169 | S | 60.9 | Low | 68.1 | Low | 66 Ų | 66 | 102.5 Ų | 102.5 | 46% | 0.462 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 147.4 | -177.8 | 69 | 0 | 0 | 0 | 0 | 109.9 | G167 T171 E172 N173 | G167-S169 PolarHBondContact O-N 3.22Å; S169-T171 CarbonylContact O-C 3.53Å; S169-T171 PolarHBondContact O-N 2.94Å; S169-E172 WeakPolarHBondContact O-CA 3.31Å; S169-E172 WeakPolarHBondContact O-CB 3.46Å; S169-E172 PolarHBondContact O-N 2.68Å; S169-E172 PolarHBondContact OG-N 3.44Å; S169-N173 PolarHBondContact O-N 3.48Å |
| 170 | T | 72.5 | Confident | 70.2 | Confident | 117 Ų | 117 | 100.1 Ų | 100.1 | 72% | 0.718 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -46.8 | -33.8 | 178.6 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | Q174 | T170-Q174 VanDerWaalsContact O-CB 3.26Å; T170-Q174 WeakPolarHBondContact O-CB 3.36Å; T170-Q174 PolarHBondContact O-N 3.45Å |
| 171 | T | 79.6 | Confident | 72.4 | Confident | 91 Ų | 91 | 102 Ų | 102 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.3 | -44 | 174.5 | -36.3 | 0 | 0 | 0 | 0 | 113.4 | S169 Q174 L175 | S169-T171 CarbonylContact O-C 3.53Å; S169-T171 PolarHBondContact O-N 2.94Å; T171-Q174 PolarHBondContact O-N 3.33Å; T171-L175 VanDerWaalsContact O-CG 3.26Å; T171-L175 WeakPolarHBondContact O-CG 3.46Å; T171-L175 PolarHBondContact O-N 3.2Å |
| 172 | E | 78 | Confident | 74.3 | Confident | 102 Ų | 102 | 102 Ų | 102 | 48% | 0.477 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.9 | -43.2 | 179.3 | -174.1 | 174.8 | -171 | 0 | 0 | 111.4 | P168 S169 Q174 L175 I176 | P168-E172 HydrophobicContact CB-CB 4.07Å; P168-E172 HydrophobicContact CB-CG 4.08Å; P168-E172 VanDerWaalsContact CB-OE2 3.28Å; P168-E172 WeakPolarHBondContact CB-OE2 3.48Å; S169-E172 WeakPolarHBondContact O-CA 3.31Å; S169-E172 WeakPolarHBondContact O-CB 3.46Å; S169-E172 PolarHBondContact O-N 2.68Å; S169-E172 PolarHBondContact OG-N 3.44Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 3Å; E172-L175 PolarHBondContact O-N 3.4Å; E172-I176 HydrophobicContact CG-CD1 4.23Å; E172-I176 VanDerWaalsContact O-CG1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.46Å; E172-I176 PolarHBondContact O-N 2.94Å |
| 173 | N | 79.4 | Confident | 76.6 | Confident | 76 Ų | 76 | 101.2 Ų | 101.2 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.3 | -40.8 | 172.6 | -75.2 | -32.7 | 0 | 0 | 0 | 111.6 | P168 S169 L175 I176 V177 | P168-N173 WeakPolarHBondContact CG-OD1 3.47Å; P168-N173 PolarHBondContact O-ND2 3.21Å; S169-N173 PolarHBondContact O-N 3.48Å; N173-L175 PolarHBondContact O-N 3.11Å; N173-I176 PolarHBondContact O-N 2.96Å; N173-V177 VanDerWaalsContact O-CG2 3.29Å; N173-V177 WeakPolarHBondContact O-CG2 3.3Å; N173-V177 PolarHBondContact O-N 3.41Å |
| 174 | Q | 81.9 | Confident | 78.2 | Confident | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.2 | -37.8 | 177.7 | -166 | 155.7 | 56.4 | 0 | 0 | 112.1 | T170 T171 E172 T178 | T170-Q174 VanDerWaalsContact O-CB 3.26Å; T170-Q174 WeakPolarHBondContact O-CB 3.36Å; T170-Q174 PolarHBondContact O-N 3.45Å; T171-Q174 PolarHBondContact O-N 3.33Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 3Å; Q174-T178 WeakPolarHBondContact O-CB 3.43Å; Q174-T178 PolarHBondContact O-N 3.34Å; Q174-T178 PolarHBondContact O-OG1 3.47Å |
| 175 | L | 88.4 | Confident | 80.3 | Confident | 118 Ų | 118 | 93.2 Ų | 93.2 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 172.7 | -73.2 | 169.8 | 0 | 0 | 0 | 111.9 | T171 E172 N173 A179 | T171-L175 VanDerWaalsContact O-CG 3.26Å; T171-L175 WeakPolarHBondContact O-CG 3.46Å; T171-L175 PolarHBondContact O-N 3.2Å; E172-L175 PolarHBondContact O-N 3.4Å; N173-L175 PolarHBondContact O-N 3.11Å; L175-A179 WeakPolarHBondContact O-CB 3.37Å; L175-A179 PolarHBondContact O-N 2.91Å |
| 176 | I | 88.1 | Confident | 82.1 | Confident | 83 Ų | 83 | 98 Ų | 98 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 177.3 | -67.6 | 165 | 0 | 0 | 0 | 110.6 | E172 N173 T178 A179 L180 | E172-I176 HydrophobicContact CG-CD1 4.23Å; E172-I176 VanDerWaalsContact O-CG1 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.46Å; E172-I176 PolarHBondContact O-N 2.94Å; N173-I176 PolarHBondContact O-N 2.96Å; I176-T178 PolarHBondContact O-N 2.9Å; I176-A179 WeakPolarHBondContact O-CB 3.4Å; I176-A179 PolarHBondContact O-N 3.21Å; I176-A179 VanDerWaalsContact O-N 3.17Å; I176-L180 HydrophobicContact CG2-CD1 4.18Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 3.23Å |
| 177 | V | 85.6 | Confident | 83.8 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | N173 A179 L180 E181 | N173-V177 VanDerWaalsContact O-CG2 3.29Å; N173-V177 WeakPolarHBondContact O-CG2 3.3Å; N173-V177 PolarHBondContact O-N 3.41Å; V177-A179 VanDerWaalsContact C-N 3.28Å; V177-A179 PolarHBondContact O-N 2.99Å; V177-L180 PolarHBondContact O-N 3.01Å; V177-L180 VanDerWaalsContact O-N 3.14Å; V177-E181 WeakPolarHBondContact O-CG 3.37Å; V177-E181 PolarHBondContact O-N 3.31Å |
| 178 | T | 90.3 | Very high | 85.5 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 176.8 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | Q174 I176 R182 | Q174-T178 WeakPolarHBondContact O-CB 3.43Å; Q174-T178 PolarHBondContact O-N 3.34Å; Q174-T178 PolarHBondContact O-OG1 3.47Å; I176-T178 PolarHBondContact O-N 2.9Å; T178-R182 WeakPolarHBondContact O-CB 3.5Å; T178-R182 PolarHBondContact O-N 3.33Å; T178-R182 VanDerWaalsContact O-N 3.12Å |
| 179 | A | 93.4 | Very high | 87.1 | Confident | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L175 I176 V177 R182 I183 | L175-A179 WeakPolarHBondContact O-CB 3.37Å; L175-A179 PolarHBondContact O-N 2.91Å; I176-A179 WeakPolarHBondContact O-CB 3.4Å; I176-A179 PolarHBondContact O-N 3.21Å; I176-A179 VanDerWaalsContact O-N 3.17Å; V177-A179 VanDerWaalsContact C-N 3.28Å; V177-A179 PolarHBondContact O-N 2.99Å; A179-R182 PolarHBondContact O-N 2.76Å; A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.22Å; A179-I183 PolarHBondContact O-N 3.37Å |
| 180 | L | 94.7 | Very high | 88.3 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 177 | -69.9 | 176 | 0 | 0 | 0 | 111.9 | I176 V177 R182 I183 E184 | I176-L180 HydrophobicContact CG2-CD1 4.18Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 3.23Å; V177-L180 PolarHBondContact O-N 3.01Å; V177-L180 VanDerWaalsContact O-N 3.14Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.4Å; L180-I183 PolarHBondContact O-N 2.9Å; L180-I183 VanDerWaalsContact O-N 3.1Å; L180-E184 PolarHBondContact O-N 3.26Å |
| 181 | E | 91.6 | Very high | 88.8 | Confident | 124 Ų | 124 | 104.3 Ų | 104.3 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -41.6 | 174.9 | -71.4 | 176.5 | 166.2 | 0 | 0 | 111.6 | V177 I183 E184 D185 | V177-E181 WeakPolarHBondContact O-CG 3.37Å; V177-E181 PolarHBondContact O-N 3.31Å; E181-I183 VanDerWaalsContact C-N 3.32Å; E181-I183 PolarHBondContact O-N 2.95Å; E181-E184 PolarHBondContact O-N 3.43Å; E181-D185 PolarHBondContact O-N 2.77Å |
| 182 | R | 94.4 | Very high | 88.9 | Confident | 185 Ų | 185 | 103.3 Ų | 103.3 | 70% | 0.698 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -34.1 | 176.1 | -170.6 | 178.1 | -179 | 179.3 | 1.2 | 112.6 | T178 A179 L180 R186 | T178-R182 WeakPolarHBondContact O-CB 3.5Å; T178-R182 PolarHBondContact O-N 3.33Å; T178-R182 VanDerWaalsContact O-N 3.12Å; A179-R182 PolarHBondContact O-N 2.76Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.4Å; R182-R186 VanDerWaalsContact O-CG 3.25Å; R182-R186 WeakPolarHBondContact O-CG 3.37Å; R182-R186 PolarHBondContact O-N 3.34Å |
| 183 | I | 95.1 | Very high | 89 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 174.9 | -69.5 | 164.8 | 0 | 0 | 0 | 110 | A179 L180 E181 R186 L187 | A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.22Å; A179-I183 PolarHBondContact O-N 3.37Å; L180-I183 PolarHBondContact O-N 2.9Å; L180-I183 VanDerWaalsContact O-N 3.1Å; E181-I183 VanDerWaalsContact C-N 3.32Å; E181-I183 PolarHBondContact O-N 2.95Å; I183-R186 PolarHBondContact O-N 2.82Å; I183-L187 HydrophobicContact CG2-CD1 4.03Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.24Å; I183-L187 PolarHBondContact O-N 2.78Å |
| 184 | E | 93.8 | Very high | 88.8 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 178.7 | -170.7 | 161.1 | -148.3 | 0 | 0 | 112.5 | R149 L180 E181 R186 L187 S188 | R149-E184 IonicContact NH2-OE1 3.55Å; R149-E184 PolarHBondContact NH2-OE1 3.25Å; L180-E184 PolarHBondContact O-N 3.26Å; E181-E184 PolarHBondContact O-N 3.43Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.33Å; E184-L187 PolarHBondContact O-N 3.03Å; E184-S188 WeakPolarHBondContact O-CB 3.46Å; E184-S188 PolarHBondContact O-N 3.1Å; E184-S188 PolarHBondContact O-OG 3.1Å |
| 185 | D | 93 | Very high | 88.5 | Confident | 72 Ų | 72 | 101 Ų | 101 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 171.8 | 173.2 | 80.7 | 0 | 0 | 0 | 111.4 | E181 S188 R189 | E181-D185 PolarHBondContact O-N 2.77Å; D185-S188 PolarHBondContact O-N 3.08Å; D185-R189 VanDerWaalsContact O-CG 3.3Å; D185-R189 WeakPolarHBondContact O-CG 3.27Å; D185-R189 PolarHBondContact O-N 2.82Å; D185-R189 IonicContact OD1-CZ 3.62Å; D185-R189 IonicContact OD1-NE 3.53Å; D185-R189 PolarHBondContact OD1-NE 3.15Å; D185-R189 IonicContact OD1-NH2 3.33Å; D185-R189 PolarHBondContact OD1-NH2 3.46Å; D185-R189 IonicContact OD2-CZ 3.19Å; D185-R189 IonicContact OD2-NE 2.76Å; D185-R189 PolarHBondContact OD2-NE 3.44Å; D185-R189 IonicContact OD2-NH2 2.77Å; D185-R189 PolarHBondContact OD2-NH2 3.05Å |
| 186 | R | 92.8 | Very high | 87.8 | Confident | 154 Ų | 154 | 104 Ų | 104 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 176.6 | -75.4 | 178 | 68.6 | -165 | -0.1 | 112.4 | R182 I183 E184 R189 L190 | R182-R186 VanDerWaalsContact O-CG 3.25Å; R182-R186 WeakPolarHBondContact O-CG 3.37Å; R182-R186 PolarHBondContact O-N 3.34Å; I183-R186 PolarHBondContact O-N 2.82Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.33Å; R186-R189 PolarHBondContact O-N 3.33Å; R186-L190 WeakPolarHBondContact O-CB 3.35Å; R186-L190 VanDerWaalsContact O-CG 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.4Å; R186-L190 PolarHBondContact O-N 3.44Å |
| 187 | L | 93.1 | Very high | 87.1 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 176.9 | -71.6 | 174.8 | 0 | 0 | 0 | 110.9 | I183 E184 R189 L190 E191 | I183-L187 HydrophobicContact CG2-CD1 4.03Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.24Å; I183-L187 PolarHBondContact O-N 2.78Å; E184-L187 PolarHBondContact O-N 3.03Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.99Å; L187-L190 PolarHBondContact O-N 3.35Å; L187-E191 WeakPolarHBondContact O-CB 3.42Å; L187-E191 PolarHBondContact O-N 3.46Å |
| 188 | S | 92.1 | Very high | 86.5 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | E184 D185 E191 V192 | E184-S188 WeakPolarHBondContact O-CB 3.46Å; E184-S188 PolarHBondContact O-N 3.1Å; E184-S188 PolarHBondContact O-OG 3.1Å; D185-S188 PolarHBondContact O-N 3.08Å; S188-E191 PolarHBondContact O-N 2.76Å; S188-V192 WeakPolarHBondContact O-CG2 3.23Å; S188-V192 PolarHBondContact O-N 2.96Å; S188-V192 VanDerWaalsContact O-N 3.15Å |
| 189 | R | 90.2 | Very high | 85.6 | Confident | 163 Ų | 163 | 107 Ų | 107 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 175.1 | -71.3 | 174.4 | -166.6 | -80 | -14 | 112.7 | D185 R186 L187 A193 | D185-R189 VanDerWaalsContact O-CG 3.3Å; D185-R189 WeakPolarHBondContact O-CG 3.27Å; D185-R189 PolarHBondContact O-N 2.82Å; D185-R189 IonicContact OD1-CZ 3.62Å; D185-R189 IonicContact OD1-NE 3.53Å; D185-R189 PolarHBondContact OD1-NE 3.15Å; D185-R189 IonicContact OD1-NH2 3.33Å; D185-R189 PolarHBondContact OD1-NH2 3.46Å; D185-R189 IonicContact OD2-CZ 3.19Å; D185-R189 IonicContact OD2-NE 2.76Å; D185-R189 PolarHBondContact OD2-NE 3.44Å; D185-R189 IonicContact OD2-NH2 2.77Å; D185-R189 PolarHBondContact OD2-NH2 3.05Å; R186-R189 PolarHBondContact O-N 3.33Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.99Å; R189-A193 WeakPolarHBondContact O-CB 3.42Å; R189-A193 PolarHBondContact O-N 3.33Å |
| 190 | L | 86.4 | Confident | 84.7 | Confident | 107 Ų | 107 | 113.4 Ų | 113.4 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.4 | -37.5 | 178.1 | -72.9 | 172.4 | 0 | 0 | 0 | 111.7 | R186 L187 A193 H194 | R186-L190 WeakPolarHBondContact O-CB 3.35Å; R186-L190 VanDerWaalsContact O-CG 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.4Å; R186-L190 PolarHBondContact O-N 3.44Å; L187-L190 PolarHBondContact O-N 3.35Å; L190-A193 PolarHBondContact O-N 3.45Å; L190-H194 WeakPolarHBondContact O-CB 3.29Å; L190-H194 PolarHBondContact O-N 2.98Å |
| 191 | E | 83.2 | Confident | 83.7 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -44.5 | 176.3 | -169.8 | 174.4 | 178.4 | 0 | 0 | 111.4 | L187 S188 A193 H194 Q195 | L187-E191 WeakPolarHBondContact O-CB 3.42Å; L187-E191 PolarHBondContact O-N 3.46Å; S188-E191 PolarHBondContact O-N 2.76Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.36Å; E191-H194 PolarHBondContact O-N 3.01Å; E191-Q195 WeakPolarHBondContact O-CG 3.39Å; E191-Q195 PolarHBondContact O-N 3.27Å |
| 192 | V | 82.3 | Confident | 82.7 | Confident | 69 Ų | 69 | 115.6 Ų | 115.6 | 42% | 0.418 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 174.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | S188 R196 | S188-V192 WeakPolarHBondContact O-CG2 3.23Å; S188-V192 PolarHBondContact O-N 2.96Å; S188-V192 VanDerWaalsContact O-N 3.15Å; V192-R196 WeakPolarHBondContact O-CG 3.38Å; V192-R196 PolarHBondContact O-N 3.01Å; V192-R196 VanDerWaalsContact O-N 3.13Å |
| 193 | A | 78.3 | Confident | 81.5 | Confident | 42 Ų | 42 | 116 Ų | 116 | 35% | 0.347 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R189 L190 E191 Q195 R196 D197 | R189-A193 WeakPolarHBondContact O-CB 3.42Å; R189-A193 PolarHBondContact O-N 3.33Å; L190-A193 PolarHBondContact O-N 3.45Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.36Å; A193-Q195 PolarHBondContact O-N 3.5Å; A193-R196 WeakPolarHBondContact O-CB 3.3Å; A193-R196 PolarHBondContact O-N 3.31Å; A193-R196 VanDerWaalsContact O-N 3.16Å; A193-D197 PolarHBondContact O-N 3.27Å |
| 194 | H | 76.5 | Confident | 80.5 | Confident | 117 Ų | 117 | 117.8 Ų | 117.8 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.6 | -171.7 | -84.6 | 0 | 0 | 0 | 111.6 | L190 E191 R196 D197 E198 | L190-H194 WeakPolarHBondContact O-CB 3.29Å; L190-H194 PolarHBondContact O-N 2.98Å; E191-H194 PolarHBondContact O-N 3.01Å; H194-R196 VanDerWaalsContact C-N 3.31Å; H194-R196 PolarHBondContact O-N 2.93Å; H194-D197 PolarHBondContact O-N 3.39Å; H194-E198 WeakPolarHBondContact CE1-CG 3.45Å; H194-E198 IonicContact CE1-OE1 3.42Å; H194-E198 WeakPolarHBondContact ND1-CG 3.29Å; H194-E198 VanDerWaalsContact O-CB 3.29Å; H194-E198 WeakPolarHBondContact O-CB 3.43Å; H194-E198 VanDerWaalsContact O-CG 3.3Å; H194-E198 WeakPolarHBondContact O-CG 3.5Å; H194-E198 PolarHBondContact O-N 2.96Å |
| 195 | Q | 75.1 | Confident | 79.1 | Confident | 101 Ų | 101 | 117.4 Ų | 117.4 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 175.9 | -71.5 | 176.9 | 26 | 0 | 0 | 112.4 | E191 A193 H199 | E191-Q195 WeakPolarHBondContact O-CG 3.39Å; E191-Q195 PolarHBondContact O-N 3.27Å; A193-Q195 PolarHBondContact O-N 3.5Å; Q195-H199 WeakPolarHBondContact O-CB 3.4Å; Q195-H199 PolarHBondContact O-CD2 3.35Å; Q195-H199 VanDerWaalsContact O-CD2 3.26Å; Q195-H199 PolarHBondContact O-N 3.28Å |
| 196 | R | 73.3 | Confident | 77.8 | Confident | 182 Ų | 182 | 120.3 Ų | 120.3 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.3 | -42.1 | 175.6 | -72.6 | 176.9 | -175.2 | 179.5 | 2.5 | 112 | V192 A193 H194 H199 R200 | V192-R196 WeakPolarHBondContact O-CG 3.38Å; V192-R196 PolarHBondContact O-N 3.01Å; V192-R196 VanDerWaalsContact O-N 3.13Å; A193-R196 WeakPolarHBondContact O-CB 3.3Å; A193-R196 PolarHBondContact O-N 3.31Å; A193-R196 VanDerWaalsContact O-N 3.16Å; H194-R196 VanDerWaalsContact C-N 3.31Å; H194-R196 PolarHBondContact O-N 2.93Å; R196-H199 PolarHBondContact O-N 3.09Å; R196-R200 WeakPolarHBondContact O-CB 3.47Å; R196-R200 PolarHBondContact O-N 3.1Å |
| 197 | D | 74.7 | Confident | 76.2 | Confident | 88 Ų | 88 | 122.7 Ų | 122.7 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -42.6 | 177.6 | -77 | -24.3 | 0 | 0 | 0 | 111.3 | A193 H194 H199 R200 I201 | A193-D197 PolarHBondContact O-N 3.27Å; H194-D197 PolarHBondContact O-N 3.39Å; D197-H199 PolarHBondContact O-N 3.28Å; D197-R200 CarbonylContact O-C 3.58Å; D197-R200 WeakPolarHBondContact O-CB 3.33Å; D197-R200 PolarHBondContact O-N 2.82Å; D197-R200 VanDerWaalsContact O-N 3.11Å; D197-I201 WeakPolarHBondContact O-CB 3.31Å; D197-I201 WeakPolarHBondContact O-CG1 3.41Å; D197-I201 PolarHBondContact O-N 3.49Å |
| 198 | E | 72.5 | Confident | 75 | Confident | 101 Ų | 101 | 122 Ų | 122 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57 | -48 | 171.2 | -80.3 | -76.4 | 120.3 | 0 | 0 | 111.5 | H194 R200 I201 R202 | H194-E198 WeakPolarHBondContact CE1-CG 3.45Å; H194-E198 IonicContact CE1-OE1 3.42Å; H194-E198 WeakPolarHBondContact ND1-CG 3.29Å; H194-E198 VanDerWaalsContact O-CB 3.29Å; H194-E198 WeakPolarHBondContact O-CB 3.43Å; H194-E198 VanDerWaalsContact O-CG 3.3Å; H194-E198 WeakPolarHBondContact O-CG 3.5Å; H194-E198 PolarHBondContact O-N 2.96Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-R200 PolarHBondContact O-N 2.84Å; E198-I201 PolarHBondContact O-N 3.25Å; E198-R202 WeakPolarHBondContact O-CB 3.28Å; E198-R202 PolarHBondContact O-N 3.23Å |
| 199 | H | 71.3 | Confident | 73.7 | Confident | 112 Ų | 112 | 120.9 Ų | 120.9 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 175.2 | -91.1 | -69.5 | 0 | 0 | 0 | 112.5 | Q195 R196 D197 R203 | Q195-H199 WeakPolarHBondContact O-CB 3.4Å; Q195-H199 PolarHBondContact O-CD2 3.35Å; Q195-H199 VanDerWaalsContact O-CD2 3.26Å; Q195-H199 PolarHBondContact O-N 3.28Å; R196-H199 PolarHBondContact O-N 3.09Å; D197-H199 PolarHBondContact O-N 3.28Å; H199-R203 WeakPolarHBondContact O-CB 3.27Å; H199-R203 VanDerWaalsContact O-CG 3.3Å; H199-R203 WeakPolarHBondContact O-CG 3.09Å; H199-R203 PolarHBondContact O-N 3.29Å |
| 200 | R | 75.1 | Confident | 72.7 | Confident | 184 Ų | 184 | 115.6 Ų | 115.6 | 69% | 0.694 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.9 | -44.6 | 177.1 | -173 | -179.1 | -179.1 | -167.8 | 0.6 | 111.5 | R196 D197 E198 R203 K204 | R196-R200 WeakPolarHBondContact O-CB 3.47Å; R196-R200 PolarHBondContact O-N 3.1Å; D197-R200 CarbonylContact O-C 3.58Å; D197-R200 WeakPolarHBondContact O-CB 3.33Å; D197-R200 PolarHBondContact O-N 2.82Å; D197-R200 VanDerWaalsContact O-N 3.11Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-R200 PolarHBondContact O-N 2.84Å; R200-R203 PolarHBondContact O-N 3.25Å; R200-K204 WeakPolarHBondContact O-CB 3.18Å; R200-K204 PolarHBondContact O-N 2.85Å |
| 201 | I | 73.5 | Confident | 71.9 | Confident | 86 Ų | 86 | 113 Ų | 113 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.3 | -67.3 | 163.4 | 0 | 0 | 0 | 109.1 | D197 E198 R203 K204 N205 | D197-I201 WeakPolarHBondContact O-CB 3.31Å; D197-I201 WeakPolarHBondContact O-CG1 3.41Å; D197-I201 PolarHBondContact O-N 3.49Å; E198-I201 PolarHBondContact O-N 3.25Å; I201-R203 PolarHBondContact O-N 3.47Å; I201-K204 PolarHBondContact O-N 2.96Å; I201-K204 VanDerWaalsContact O-N 3.15Å; I201-N205 WeakPolarHBondContact CG2-ND2 3.31Å; I201-N205 WeakPolarHBondContact O-CB 3.47Å; I201-N205 PolarHBondContact O-N 3.04Å; I201-N205 PolarHBondContact O-OD1 2.59Å |
| 202 | R | 70.8 | Confident | 71.2 | Confident | 189 Ų | 189 | 112.8 Ų | 112.8 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -41 | 176.8 | -169.1 | 174.8 | 178.7 | 174.5 | 0.8 | 112.3 | E198 H206 | E198-R202 WeakPolarHBondContact O-CB 3.28Å; E198-R202 PolarHBondContact O-N 3.23Å; R202-H206 VanDerWaalsContact O-CB 3.26Å; R202-H206 WeakPolarHBondContact O-CB 3.37Å; R202-H206 PolarHBondContact O-N 3.23Å |
| 203 | R | 69.3 | Low | 70.4 | Confident | 194 Ų | 194 | 117.5 Ų | 117.5 | 73% | 0.732 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 173.6 | -78.2 | -179.9 | -179.7 | 178.6 | 2.1 | 112.4 | H199 R200 I201 H206 R207 | H199-R203 WeakPolarHBondContact O-CB 3.27Å; H199-R203 VanDerWaalsContact O-CG 3.3Å; H199-R203 WeakPolarHBondContact O-CG 3.09Å; H199-R203 PolarHBondContact O-N 3.29Å; R200-R203 PolarHBondContact O-N 3.25Å; I201-R203 PolarHBondContact O-N 3.47Å; R203-H206 PolarHBondContact O-N 3.37Å; R203-R207 PolarHBondContact O-N 3.38Å |
| 204 | K | 72.4 | Confident | 69.8 | Low | 125 Ų | 125 | 121.8 Ų | 121.8 | 54% | 0.543 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -48.5 | 177 | -173.5 | 178.8 | 172.6 | -174.6 | 0 | 111 | R200 I201 H206 R207 E208 | R200-K204 WeakPolarHBondContact O-CB 3.18Å; R200-K204 PolarHBondContact O-N 2.85Å; I201-K204 PolarHBondContact O-N 2.96Å; I201-K204 VanDerWaalsContact O-N 3.15Å; K204-H206 VanDerWaalsContact C-N 3.3Å; K204-H206 PolarHBondContact O-N 3.02Å; K204-R207 PolarHBondContact O-N 3.42Å; K204-E208 WeakPolarHBondContact CE-OE1 3.47Å; K204-E208 IonicContact NZ-OE1 2.78Å; K204-E208 WeakPolarHBondContact O-CB 3.48Å; K204-E208 WeakPolarHBondContact O-CG 3.3Å; K204-E208 PolarHBondContact O-N 3.27Å |
| 205 | N | 65.8 | Low | 69.4 | Low | 89 Ų | 89 | 119.2 Ų | 119.2 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.4 | -33 | 177.4 | -65.9 | -2.7 | 0 | 0 | 0 | 111.8 | I201 G209 | I201-N205 WeakPolarHBondContact CG2-ND2 3.31Å; I201-N205 WeakPolarHBondContact O-CB 3.47Å; I201-N205 PolarHBondContact O-N 3.04Å; I201-N205 PolarHBondContact O-OD1 2.59Å; N205-G209 WeakPolarHBondContact O-CA 3.4Å; N205-G209 PolarHBondContact O-N 2.66Å |
| 206 | H | 64.6 | Low | 69 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 62% | 0.616 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.9 | -44.4 | 173.5 | -167.4 | 59.1 | 0 | 0 | 0 | 110.9 | R202 R203 K204 G209 T210 | R202-H206 VanDerWaalsContact O-CB 3.26Å; R202-H206 WeakPolarHBondContact O-CB 3.37Å; R202-H206 PolarHBondContact O-N 3.23Å; R203-H206 PolarHBondContact O-N 3.37Å; K204-H206 VanDerWaalsContact C-N 3.3Å; K204-H206 PolarHBondContact O-N 3.02Å; H206-G209 PolarHBondContact O-N 3.45Å; H206-T210 WeakPolarHBondContact O-CB 3.39Å; H206-T210 VanDerWaalsContact O-CG2 3.25Å; H206-T210 WeakPolarHBondContact O-CG2 3.4Å; H206-T210 PolarHBondContact O-N 3.28Å; H206-T210 PolarHBondContact O-OG1 3.24Å |
| 207 | R | 60.8 | Low | 68.6 | Low | 205 Ų | 205 | 115.2 Ų | 115.2 | 77% | 0.774 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.7 | -40.3 | 177.7 | -167.4 | 178.6 | -173.4 | -174.8 | 2 | 112.9 | R203 K204 T210 A211 | R203-R207 PolarHBondContact O-N 3.38Å; K204-R207 PolarHBondContact O-N 3.42Å; R207-T210 WeakPolarHBondContact CA-OG1 3.37Å; R207-T210 PolarHBondContact O-OG1 3.02Å; R207-A211 WeakPolarHBondContact O-CB 3.37Å; R207-A211 PolarHBondContact O-N 3.4Å; R207-A211 VanDerWaalsContact O-N 3.15Å |
| 208 | E | 66.7 | Low | 68.4 | Low | 93 Ų | 93 | 114.8 Ų | 114.8 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 175.6 | -73.4 | 173.4 | -179.8 | 0 | 0 | 110.8 | K204 A211 I212 | K204-E208 WeakPolarHBondContact CE-OE1 3.47Å; K204-E208 IonicContact NZ-OE1 2.78Å; K204-E208 WeakPolarHBondContact O-CB 3.48Å; K204-E208 WeakPolarHBondContact O-CG 3.3Å; K204-E208 PolarHBondContact O-N 3.27Å; E208-A211 PolarHBondContact O-N 3.43Å; E208-I212 WeakPolarHBondContact O-CB 3.36Å; E208-I212 WeakPolarHBondContact O-CD1 3.32Å; E208-I212 WeakPolarHBondContact O-CG1 3.49Å; E208-I212 PolarHBondContact O-N 2.89Å |
| 209 | G | 64.1 | Low | 68.5 | Low | 36 Ų | 36 | 115.1 Ų | 115.1 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N205 H206 R213 | N205-G209 WeakPolarHBondContact O-CA 3.4Å; N205-G209 PolarHBondContact O-N 2.66Å; H206-G209 PolarHBondContact O-N 3.45Å; G209-R213 WeakPolarHBondContact O-CB 3.29Å; G209-R213 PolarHBondContact O-N 2.95Å |
| 210 | T | 69.6 | Low | 68.4 | Low | 53 Ų | 53 | 112.4 Ų | 112.4 | 33% | 0.325 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 172.8 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | H206 R207 I212 R213 E214 | H206-T210 WeakPolarHBondContact O-CB 3.39Å; H206-T210 VanDerWaalsContact O-CG2 3.25Å; H206-T210 WeakPolarHBondContact O-CG2 3.4Å; H206-T210 PolarHBondContact O-N 3.28Å; H206-T210 PolarHBondContact O-OG1 3.24Å; R207-T210 WeakPolarHBondContact CA-OG1 3.37Å; R207-T210 PolarHBondContact O-OG1 3.02Å; T210-I212 PolarHBondContact O-N 3.31Å; T210-R213 PolarHBondContact O-N 3.02Å; T210-E214 VanDerWaalsContact O-CB 3.31Å; T210-E214 WeakPolarHBondContact O-CB 2.79Å; T210-E214 VanDerWaalsContact O-CG 3.28Å; T210-E214 WeakPolarHBondContact O-CG 3.21Å; T210-E214 PolarHBondContact O-N 3.1Å |
| 211 | A | 70.4 | Confident | 68.5 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R207 E208 A215 | R207-A211 WeakPolarHBondContact O-CB 3.37Å; R207-A211 PolarHBondContact O-N 3.4Å; R207-A211 VanDerWaalsContact O-N 3.15Å; E208-A211 PolarHBondContact O-N 3.43Å; A211-A215 VanDerWaalsContact O-CB 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.5Å; A211-A215 PolarHBondContact O-N 3.13Å |
| 212 | I | 69.1 | Low | 69 | Low | 118 Ų | 118 | 109.8 Ų | 109.8 | 61% | 0.605 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 175.5 | -67.4 | 163.5 | 0 | 0 | 0 | 110.3 | E208 T210 A215 A216 | E208-I212 WeakPolarHBondContact O-CB 3.36Å; E208-I212 WeakPolarHBondContact O-CD1 3.32Å; E208-I212 WeakPolarHBondContact O-CG1 3.49Å; E208-I212 PolarHBondContact O-N 2.89Å; T210-I212 PolarHBondContact O-N 3.31Å; I212-A215 PolarHBondContact O-N 3.1Å; I212-A216 VanDerWaalsContact O-CB 3.23Å; I212-A216 WeakPolarHBondContact O-CB 3.32Å; I212-A216 PolarHBondContact O-N 3.14Å |
| 213 | R | 65.1 | Low | 69.7 | Low | 167 Ų | 167 | 104.1 Ų | 104.1 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.9 | -37.6 | 178.8 | -167.2 | 176.1 | -172.3 | -178.9 | 1.8 | 112 | G209 T210 R217 | G209-R213 WeakPolarHBondContact O-CB 3.29Å; G209-R213 PolarHBondContact O-N 2.95Å; T210-R213 PolarHBondContact O-N 3.02Å; R213-R217 WeakPolarHBondContact O-CB 3.35Å; R213-R217 VanDerWaalsContact O-CG 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.46Å; R213-R217 PolarHBondContact O-N 2.98Å |
| 214 | E | 65.6 | Low | 70.6 | Confident | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.621 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 173.2 | -76.7 | 176.1 | 176.2 | 0 | 0 | 111.3 | T210 A216 R217 S218 | T210-E214 VanDerWaalsContact O-CB 3.31Å; T210-E214 WeakPolarHBondContact O-CB 2.79Å; T210-E214 VanDerWaalsContact O-CG 3.28Å; T210-E214 WeakPolarHBondContact O-CG 3.21Å; T210-E214 PolarHBondContact O-N 3.1Å; E214-A216 PolarHBondContact O-N 2.83Å; E214-R217 PolarHBondContact O-N 2.59Å; E214-S218 WeakPolarHBondContact O-CB 2.99Å; E214-S218 PolarHBondContact O-N 3.27Å |
| 215 | A | 68.4 | Low | 71.4 | Confident | 63 Ų | 63 | 97.6 Ų | 97.6 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A211 I212 S218 K219 | A211-A215 VanDerWaalsContact O-CB 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.5Å; A211-A215 PolarHBondContact O-N 3.13Å; I212-A215 PolarHBondContact O-N 3.1Å; A215-S218 PolarHBondContact O-N 3.45Å; A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 PolarHBondContact O-N 2.93Å |
| 216 | A | 65.9 | Low | 72.5 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I212 E214 K219 A220 | I212-A216 VanDerWaalsContact O-CB 3.23Å; I212-A216 WeakPolarHBondContact O-CB 3.32Å; I212-A216 PolarHBondContact O-N 3.14Å; E214-A216 PolarHBondContact O-N 2.83Å; A216-K219 PolarHBondContact O-N 3.13Å; A216-A220 WeakPolarHBondContact O-CB 3.21Å; A216-A220 PolarHBondContact O-N 3.44Å |
| 217 | R | 65.8 | Low | 73.8 | Confident | 142 Ų | 142 | 91.4 Ų | 91.4 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.2 | -81.6 | -178 | 175.3 | -165.3 | -2.7 | 111.7 | R213 E214 K219 A220 E221 | R213-R217 WeakPolarHBondContact O-CB 3.35Å; R213-R217 VanDerWaalsContact O-CG 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.46Å; R213-R217 PolarHBondContact O-N 2.98Å; E214-R217 PolarHBondContact O-N 2.59Å; R217-K219 VanDerWaalsContact C-N 3.26Å; R217-K219 PolarHBondContact O-N 3.41Å; R217-A220 CarbonylContact O-C 3.58Å; R217-A220 WeakPolarHBondContact O-CA 3.42Å; R217-A220 WeakPolarHBondContact O-CB 3.25Å; R217-A220 PolarHBondContact O-N 2.85Å; R217-E221 WeakPolarHBondContact O-CG 3.43Å; R217-E221 PolarHBondContact O-N 2.94Å |
| 218 | S | 69 | Low | 75.2 | Confident | 79 Ų | 79 | 85.5 Ų | 85.5 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.2 | -36.6 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | E214 A215 L222 | E214-S218 WeakPolarHBondContact O-CB 2.99Å; E214-S218 PolarHBondContact O-N 3.27Å; A215-S218 PolarHBondContact O-N 3.45Å; S218-L222 PolarHBondContact O-N 3.23Å |
| 219 | K | 74.3 | Confident | 76.2 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 172.7 | -167.9 | 174.6 | -176 | 179.9 | 0 | 112.7 | A215 A216 R217 G231 D236 | A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 PolarHBondContact O-N 2.93Å; A216-K219 PolarHBondContact O-N 3.13Å; R217-K219 VanDerWaalsContact C-N 3.26Å; R217-K219 PolarHBondContact O-N 3.41Å; K219-G231 CarbonylContact O-C 3.54Å; K219-D236 IonicContact NZ-OD2 3.52Å |
| 220 | A | 70.4 | Confident | 77.4 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A216 R217 T230 G231 | A216-A220 WeakPolarHBondContact O-CB 3.21Å; A216-A220 PolarHBondContact O-N 3.44Å; R217-A220 CarbonylContact O-C 3.58Å; R217-A220 WeakPolarHBondContact O-CA 3.42Å; R217-A220 WeakPolarHBondContact O-CB 3.25Å; R217-A220 PolarHBondContact O-N 2.85Å; A220-T230 WeakPolarHBondContact O-CB 3.23Å; A220-G231 PolarHBondContact O-N 3.41Å |
| 221 | E | 77.4 | Confident | 78.2 | Confident | 147 Ų | 147 | 86.7 Ų | 86.7 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -82 | -18.4 | 178.2 | -71.4 | 169.1 | -164.1 | 0 | 0 | 112.8 | R217 T223 | R217-E221 WeakPolarHBondContact O-CG 3.43Å; R217-E221 PolarHBondContact O-N 2.94Å; E221-T223 PolarHBondContact O-N 3.32Å |
| 222 | L | 82.9 | Confident | 79.1 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 123.2 | 178.2 | -163.2 | 86.2 | 0 | 0 | 0 | 111.2 | S218 T230 G231 V233 | S218-L222 PolarHBondContact O-N 3.23Å; L222-T230 WeakPolarHBondContact O-CA 3.47Å; L222-G231 PolarHBondContact O-N 3Å; L222-G231 VanDerWaalsContact O-N 3.15Å; L222-V233 HydrophobicContact CD2-CB 4.14Å; L222-V233 HydrophobicContact CD2-CG1 3.13Å |
| 223 | T | 86.7 | Confident | 80 | Confident | 70 Ų | 70 | 82.3 Ų | 82.3 | 43% | 0.429 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 130.6 | 171.8 | 53.1 | 0 | 0 | 0 | 0 | 111 | E221 F225 T230 | E221-T223 PolarHBondContact O-N 3.32Å; T223-F225 PolarHBondContact O-N 3.5Å; T223-T230 HydrophobicContact CG2-CG2 3.63Å |
| 224 | C | 88.7 | Confident | 81 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.007 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 127.9 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | V226 C227 A228 T229 H232 C237 | C224-V226 PolarHBondContact O-N 3.25Å; C224-V226 PolarHBondContact SG-N 2.99Å; C224-V226 VanDerWaalsContact SG-N 3.37Å; C224-C227 VanDerWaalsContact SG-SG 3.63Å; C224-A228 WeakPolarHBondContact O-CA 3.31Å; C224-A228 PolarHBondContact O-N 2.95Å; C224-T229 WeakPolarHBondContact CB-O 3.12Å; C224-T229 PolarHBondContact N-O 2.87Å; C224-H232 WeakPolarHBondContact CA-O 3.42Å; C224-H232 VanDerWaalsContact CB-NE2 3.3Å; C224-H232 WeakPolarHBondContact CB-NE2 3.49Å; C224-H232 WeakPolarHBondContact CB-O 3.35Å; C224-H232 PolarHBondContact N-O 3.31Å; C224-H232 PolarHBondContact SG-NE2 3.43Å; C224-C237 VanDerWaalsContact SG-CB 3.58Å |
| 225 | F | 88.9 | Confident | 82 | Confident | 181 Ų | 181 | 79.4 Ų | 79.4 | 79% | 0.794 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -11.8 | 177.5 | -65.6 | -80 | 0 | 0 | 0 | 114.8 | T223 A234 | T223-F225 PolarHBondContact O-N 3.5Å; F225-A234 HydrophobicContact CB-CB 4.29Å |
| 226 | V | 88.5 | Confident | 82.9 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 38% | 0.376 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -50.5 | -179.1 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | C224 A234 C237 M239 | C224-V226 PolarHBondContact O-N 3.25Å; C224-V226 PolarHBondContact SG-N 2.99Å; C224-V226 VanDerWaalsContact SG-N 3.37Å; V226-A234 HydrophobicContact CG2-CB 3.91Å; V226-C237 HydrophobicContact CB-CB 4.1Å; V226-C237 HydrophobicContact CG1-CB 4.48Å; V226-C237 HydrophobicContact CG2-CB 4.36Å; V226-M239 HydrophobicContact CG1-CB 4.31Å |
| 227 | C | 92.3 | Very high | 84 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 20% | 0.203 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -0.8 | -176.7 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | C224 T229 H232 M239 | C224-C227 VanDerWaalsContact SG-SG 3.63Å; C227-T229 PolarHBondContact O-N 3.37Å; C227-T229 VanDerWaalsContact O-N 3.09Å; C227-T229 PolarHBondContact SG-OG1 3.02Å; C227-H232 PolarHBondContact SG-CE1 3.29Å; C227-H232 PolarHBondContact SG-NE2 2.88Å; C227-M239 HydrophobicContact CB-CG 4.34Å; C227-M239 HydrophobicContact CB-SD 3.65Å |
| 228 | A | 89.7 | Confident | 85 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 67% | 0.669 | 42% | 0.423 | S | S | * | . | trans | 58.9 | 13.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C224 | C224-A228 WeakPolarHBondContact O-CA 3.31Å; C224-A228 PolarHBondContact O-N 2.95Å | ||
| 229 | T | 87.9 | Confident | 85.7 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 46% | 0.46 | 42% | 0.419 | S | S | . | . | trans | -94.9 | 149.7 | 176.1 | 66 | 0 | 0 | 0 | 0 | 111.7 | C224 C227 H232 | C224-T229 WeakPolarHBondContact CB-O 3.12Å; C224-T229 PolarHBondContact N-O 2.87Å; C227-T229 PolarHBondContact O-N 3.37Å; C227-T229 VanDerWaalsContact O-N 3.09Å; C227-T229 PolarHBondContact SG-OG1 3.02Å; T229-H232 PolarHBondContact OG1-CE1 3.28Å; T229-H232 VanDerWaalsContact OG1-CE1 3.28Å | ||
| 230 | T | 89.4 | Confident | 86.1 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | B | Isolated β-bridge | trans | -77.6 | 161.1 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | A220 L222 T223 | A220-T230 WeakPolarHBondContact O-CB 3.23Å; L222-T230 WeakPolarHBondContact O-CA 3.47Å; T223-T230 HydrophobicContact CG2-CG2 3.63Å |
| 231 | G | 86.2 | Confident | 86 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 101.6 | -6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K219 A220 L222 | K219-G231 CarbonylContact O-C 3.54Å; A220-G231 PolarHBondContact O-N 3.41Å; L222-G231 PolarHBondContact O-N 3Å; L222-G231 VanDerWaalsContact O-N 3.15Å |
| 232 | H | 88.1 | Confident | 85.5 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 12% | 0.12 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -153.8 | 157 | 176.4 | 66.7 | -82 | 0 | 0 | 0 | 112.7 | C224 C227 T229 D236 C237 | C224-H232 WeakPolarHBondContact CA-O 3.42Å; C224-H232 VanDerWaalsContact CB-NE2 3.3Å; C224-H232 WeakPolarHBondContact CB-NE2 3.49Å; C224-H232 WeakPolarHBondContact CB-O 3.35Å; C224-H232 PolarHBondContact N-O 3.31Å; C224-H232 PolarHBondContact SG-NE2 3.43Å; C227-H232 PolarHBondContact SG-CE1 3.29Å; C227-H232 PolarHBondContact SG-NE2 2.88Å; T229-H232 PolarHBondContact OG1-CE1 3.28Å; T229-H232 VanDerWaalsContact OG1-CE1 3.28Å; H232-D236 HydrophobicContact CB-CB 4.15Å; H232-C237 WeakPolarHBondContact CD2-CA 3.48Å; H232-C237 WeakPolarHBondContact NE2-CA 3.46Å; H232-C237 PolarHBondContact NE2-SG 3.24Å |
| 233 | V | 88.5 | Confident | 84.5 | Confident | 52 Ų | 52 | 85.5 Ų | 85.5 | 32% | 0.315 | 44% | 0.44 | S | S | . | . | trans | -85 | 159.3 | 173.3 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | L222 R235 D236 C237 | L222-V233 HydrophobicContact CD2-CB 4.14Å; L222-V233 HydrophobicContact CD2-CG1 3.13Å; V233-R235 HydrophobicContact CG2-CB 4.16Å; V233-R235 PolarHBondContact O-N 3.37Å; V233-D236 HydrophobicContact CG2-CB 4.12Å; V233-D236 WeakPolarHBondContact CG2-OD2 3.31Å; V233-D236 PolarHBondContact O-N 2.94Å; V233-C237 PolarHBondContact O-N 2.91Å | ||
| 234 | A | 86.5 | Confident | 83.2 | Confident | 28 Ų | 28 | 85 Ų | 85 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -50.1 | -28.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F225 V226 C237 R240 | F225-A234 HydrophobicContact CB-CB 4.29Å; V226-A234 HydrophobicContact CG2-CB 3.91Å; A234-C237 WeakPolarHBondContact O-CB 3.49Å; A234-R240 WeakPolarHBondContact O-CD 3.42Å |
| 235 | R | 86 | Confident | 81.6 | Confident | 212 Ų | 212 | 89.9 Ų | 89.9 | 80% | 0.8 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -69.6 | -33.5 | 175.7 | -69.1 | -174.9 | 177.4 | -179.4 | -0.7 | 113.5 | V233 C237 | V233-R235 HydrophobicContact CG2-CB 4.16Å; V233-R235 PolarHBondContact O-N 3.37Å; R235-C237 VanDerWaalsContact C-N 3.33Å |
| 236 | D | 87.4 | Confident | 80 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 43% | 0.428 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -96.1 | 11.6 | -177.7 | -62.4 | -19.5 | 0 | 0 | 0 | 111.2 | K219 H232 V233 P238 | K219-D236 IonicContact NZ-OD2 3.52Å; H232-D236 HydrophobicContact CB-CB 4.15Å; V233-D236 HydrophobicContact CG2-CB 4.12Å; V233-D236 WeakPolarHBondContact CG2-OD2 3.31Å; V233-D236 PolarHBondContact O-N 2.94Å; D236-P238 WeakPolarHBondContact O-CD 3.4Å |
| 237 | C | 88.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 46% | 0.459 | C | S | . | . | trans | -71.1 | 123 | -175.1 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | C224 V226 H232 V233 A234 R235 M239 R240 Q241 | C224-C237 VanDerWaalsContact SG-CB 3.58Å; V226-C237 HydrophobicContact CB-CB 4.1Å; V226-C237 HydrophobicContact CG1-CB 4.48Å; V226-C237 HydrophobicContact CG2-CB 4.36Å; H232-C237 WeakPolarHBondContact CD2-CA 3.48Å; H232-C237 WeakPolarHBondContact NE2-CA 3.46Å; H232-C237 PolarHBondContact NE2-SG 3.24Å; V233-C237 PolarHBondContact O-N 2.91Å; A234-C237 WeakPolarHBondContact O-CB 3.49Å; R235-C237 VanDerWaalsContact C-N 3.33Å; C237-M239 PolarHBondContact O-N 3.39Å; C237-R240 HydrophobicContact CB-CB 4.1Å; C237-R240 WeakPolarHBondContact O-CB 3.43Å; C237-R240 PolarHBondContact O-N 2.69Å; C237-Q241 PolarHBondContact O-N 3.22Å | ||
| 238 | P | 87.5 | Confident | 76.6 | Confident | 85 Ų | 85 | 91.9 Ų | 91.9 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -26.4 | 178.8 | 25.2 | -33.5 | 0 | 0 | 0 | 112.4 | D236 R240 R242 | D236-P238 WeakPolarHBondContact O-CD 3.4Å; P238-R240 VanDerWaalsContact C-N 3.34Å; P238-R242 PolarHBondContact O-N 3.25Å |
| 239 | M | 83.3 | Confident | 74.8 | Confident | 96 Ų | 96 | 94.7 Ų | 94.7 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 173 | -70.6 | -170.6 | 61.2 | 0 | 0 | 112.1 | V226 C227 C237 Q241 R242 E243 | V226-M239 HydrophobicContact CG1-CB 4.31Å; C227-M239 HydrophobicContact CB-CG 4.34Å; C227-M239 HydrophobicContact CB-SD 3.65Å; C237-M239 PolarHBondContact O-N 3.39Å; M239-Q241 PolarHBondContact O-N 3.28Å; M239-R242 PolarHBondContact O-N 2.99Å; M239-E243 PolarHBondContact O-N 3.25Å; M239-E243 VanDerWaalsContact O-N 3.08Å |
| 240 | R | 83.3 | Confident | 73 | Confident | 146 Ų | 146 | 94.7 Ų | 94.7 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.9 | -32.9 | -179.6 | -165.1 | 171.6 | -171.5 | -93.7 | -4.6 | 112.6 | A234 C237 P238 S244 | A234-R240 WeakPolarHBondContact O-CD 3.42Å; C237-R240 HydrophobicContact CB-CB 4.1Å; C237-R240 WeakPolarHBondContact O-CB 3.43Å; C237-R240 PolarHBondContact O-N 2.69Å; P238-R240 VanDerWaalsContact C-N 3.34Å; R240-S244 PolarHBondContact O-N 3.49Å |
| 241 | Q | 69 | Low | 71 | Confident | 122 Ų | 122 | 94.3 Ų | 94.3 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.8 | -33 | 174 | -66.3 | -173.2 | 6.8 | 0 | 0 | 112.2 | C237 M239 S244 N245 | C237-Q241 PolarHBondContact O-N 3.22Å; M239-Q241 PolarHBondContact O-N 3.28Å; Q241-S244 PolarHBondContact O-OG 3.17Å; Q241-N245 VanDerWaalsContact O-CG 3.25Å; Q241-N245 PolarHBondContact O-N 3.2Å; Q241-N245 PolarHBondContact O-ND2 3.36Å |
| 242 | R | 66.4 | Low | 69.2 | Low | 207 Ų | 207 | 101.4 Ų | 101.4 | 78% | 0.781 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -34.9 | 172.9 | -86.1 | -174 | 173.3 | -168.9 | -2.1 | 112.5 | P238 M239 A246 | P238-R242 PolarHBondContact O-N 3.25Å; M239-R242 PolarHBondContact O-N 2.99Å; R242-A246 WeakPolarHBondContact O-CB 3.38Å; R242-A246 PolarHBondContact O-N 3.45Å |
| 243 | E | 61 | Low | 67.2 | Low | 110 Ų | 110 | 105.2 Ų | 105.2 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.3 | -39.4 | 177.8 | -73.8 | 172.9 | -175.3 | 0 | 0 | 112.6 | M239 N245 A246 T247 | M239-E243 PolarHBondContact O-N 3.25Å; M239-E243 VanDerWaalsContact O-N 3.08Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.87Å; E243-A246 PolarHBondContact O-N 2.92Å; E243-T247 PolarHBondContact O-N 3.21Å; E243-T247 PolarHBondContact O-OG1 2.93Å |
| 244 | S | 59.3 | Low | 64.9 | Low | 60 Ų | 60 | 110.7 Ų | 110.7 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.5 | -36 | 176.4 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | R240 Q241 T247 | R240-S244 PolarHBondContact O-N 3.49Å; Q241-S244 PolarHBondContact O-OG 3.17Å; S244-T247 PolarHBondContact O-OG1 2.96Å |
| 245 | N | 55.6 | Low | 63 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -81.5 | -23.3 | -179.4 | -61.1 | -5.3 | 0 | 0 | 0 | 112.1 | Q241 E243 | Q241-N245 VanDerWaalsContact O-CG 3.25Å; Q241-N245 PolarHBondContact O-N 3.2Å; Q241-N245 PolarHBondContact O-ND2 3.36Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.87Å |
| 246 | A | 56.2 | Low | 60.7 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -77.5 | -29.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R242 E243 S250 | R242-A246 WeakPolarHBondContact O-CB 3.38Å; R242-A246 PolarHBondContact O-N 3.45Å; E243-A246 PolarHBondContact O-N 2.92Å; A246-S250 WeakPolarHBondContact O-CB 3.26Å; A246-S250 PolarHBondContact O-N 2.86Å; A246-S250 VanDerWaalsContact O-N 3.12Å; A246-S250 PolarHBondContact O-OG 3.3Å |
| 247 | T | 55 | Low | 58.4 | Low | 101 Ų | 101 | 113 Ų | 113 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.5 | -20.2 | -179.2 | 45.4 | 0 | 0 | 0 | 0 | 114.6 | E243 S244 | E243-T247 PolarHBondContact O-N 3.21Å; E243-T247 PolarHBondContact O-OG1 2.93Å; S244-T247 PolarHBondContact O-OG1 2.96Å |
| 248 | E | 53.2 | Low | 55.9 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -92.5 | -26.4 | 179.2 | -63.1 | -171.9 | 167.5 | 0 | 0 | 112.6 | ||
| 249 | D | 53.2 | Low | 53.8 | Low | 141 Ų | 141 | 121.8 Ų | 121.8 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -96.8 | -18.9 | 176.1 | -72.1 | -29.4 | 0 | 0 | 0 | 114.2 | ||
| 250 | S | 49.7 | Very low | 51.9 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -95.3 | 2.8 | -179.2 | -53.6 | 0 | 0 | 0 | 0 | 114.9 | A246 M252 | A246-S250 WeakPolarHBondContact O-CB 3.26Å; A246-S250 PolarHBondContact O-N 2.86Å; A246-S250 VanDerWaalsContact O-N 3.12Å; A246-S250 PolarHBondContact O-OG 3.3Å; S250-M252 PolarHBondContact O-N 3.14Å; S250-M252 VanDerWaalsContact O-N 3.15Å |
| 251 | A | 46.3 | Very low | 49.9 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 5.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 252 | M | 48.9 | Very low | 48.8 | Very low | 188 Ų | 188 | 129 Ų | 129 | 93% | 0.926 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 12.8 | 179.1 | -62.1 | -150.9 | -175.1 | 0 | 0 | 115.5 | S250 | S250-M252 PolarHBondContact O-N 3.14Å; S250-M252 VanDerWaalsContact O-N 3.15Å |
| 253 | S | 45.7 | Very low | 47.5 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -150.5 | 78.3 | 176.9 | -147 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 254 | L | 41.2 | Very low | 46.5 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -121.6 | 90.5 | 167.1 | -79.7 | 174.3 | 0 | 0 | 0 | 109 | ||||
| 255 | T | 45.9 | Very low | 45.5 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -149.9 | 112.5 | 149.5 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 256 | D | 39 | Very low | 44.4 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | 54.8 | 112.1 | 147.8 | -61.5 | -35.9 | 0 | 0 | 0 | 120.7 | ||||
| 257 | G | 38.5 | Very low | 43.5 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 171.9 | 87.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 258 | A | 36.3 | Very low | 42.5 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -60.8 | 129.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 259 | L | 43.5 | Very low | 41.6 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -140.3 | 103.9 | 157.4 | -75 | -179 | 0 | 0 | 0 | 112.6 | ||||
| 260 | S | 42.3 | Very low | 40.5 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 35 | 128.7 | 136.3 | -143 | 0 | 0 | 0 | 0 | 121.6 | E262 | S260-E262 PolarHBondContact O-N 2.96Š| ||
| 261 | R | 42.4 | Very low | 39.8 | Very low | 248 Ų | 248 | 148 Ų | 148 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -97.5 | 41.8 | -164.2 | -166.2 | 177 | 161.4 | -170.8 | -5.1 | 112.9 | ||
| 262 | E | 46.5 | Very low | 39.2 | Very low | 157 Ų | 157 | 153 Ų | 153 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -139.4 | 62.1 | -164.8 | -154.5 | 79.7 | -134.2 | 0 | 0 | 112.7 | S260 | S260-E262 PolarHBondContact O-N 2.96Š| ||
| 263 | S | 39 | Very low | 38.6 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -163.4 | 35.7 | 173.6 | -88.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 264 | R | 38.8 | Very low | 38.2 | Very low | 251 Ų | 251 | 147.4 Ų | 147.4 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -125.2 | 68.5 | 170.1 | -64.5 | -169.1 | -170.4 | -158.4 | 4.7 | 111.5 | ||||
| 265 | R | 37.5 | Very low | 38.2 | Very low | 242 Ų | 242 | 145.6 Ų | 145.6 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -120.3 | 98 | 162.2 | -77.2 | -172.5 | 177.9 | 179.4 | 1 | 108.2 | ||||
| 266 | L | 33.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -71.7 | 142.8 | 162.7 | -67.5 | 172.7 | 0 | 0 | 0 | 108 | Y268 | L266-Y268 PolarHBondContact O-N 3.4Š| ||
| 267 | P | 37.1 | Very low | 37.7 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 130.2 | 176.3 | 25.8 | -32.2 | 0 | 0 | 0 | 110 | ||||
| 268 | Y | 33.9 | Very low | 37.5 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -117.1 | 155.1 | 171.2 | 73.1 | -91.1 | 0 | 0 | 0 | 109.1 | L266 E270 | L266-Y268 PolarHBondContact O-N 3.4Å; Y268-E270 HydrophobicContact CD2-CG 3.97Å; Y268-E270 HydrophobicContact CE2-CB 4.24Å; Y268-E270 HydrophobicContact CE2-CG 3.56Å; Y268-E270 WeakPolarHBondContact CE2-OE1 3.15Å | ||
| 269 | V | 34.2 | Very low | 37.4 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | trans | -117.3 | 121 | 169.5 | 179.4 | 0 | 0 | 0 | 0 | 107 | V271 | V269-V271 HydrophobicContact CG1-CG2 4.14Š| ||
| 270 | E | 31.4 | Very low | 36.9 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -81.7 | 128.8 | 169.8 | -93.3 | 166.7 | -169.8 | 0 | 0 | 109.1 | Y268 | Y268-E270 HydrophobicContact CD2-CG 3.97Å; Y268-E270 HydrophobicContact CE2-CB 4.24Å; Y268-E270 HydrophobicContact CE2-CG 3.56Å; Y268-E270 WeakPolarHBondContact CE2-OE1 3.15Å | ||
| 271 | V | 34.8 | Very low | 36.4 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 53% | 0.533 | 77% | 0.769 | S | S | . | * | trans | -124 | 114.4 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | V269 V273 | V269-V271 HydrophobicContact CG1-CG2 4.14Å; V271-V273 HydrophobicContact CG1-CG2 4.14Å | ||
| 272 | E | 32.3 | Very low | 35.9 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -86.8 | 124.9 | 170.5 | -71.6 | -173 | 153.2 | 0 | 0 | 109.6 | ||||
| 273 | V | 36.9 | Very low | 35.5 | Very low | 93 Ų | 93 | 138 Ų | 138 | 56% | 0.564 | 77% | 0.767 | S | S | * | * | trans | -114.6 | 121.8 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 109 | V271 V323 | V271-V273 HydrophobicContact CG1-CG2 4.14Å; V273-V323 HydrophobicContact CG1-CG2 4.37Å | ||
| 274 | S | 36.6 | Very low | 35.4 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | trans | -104.2 | 109.5 | 175.8 | 34 | 0 | 0 | 0 | 0 | 110.2 | G276 | S274-G276 PolarHBondContact O-N 3.28Š| ||
| 275 | N | 42 | Very low | 35.5 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -80.6 | 108.7 | 175.6 | -107.5 | -0.8 | 0 | 0 | 0 | 110.6 | ||||
| 276 | G | 36.4 | Very low | 35.2 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -104.7 | 61.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S274 S278 | S274-G276 PolarHBondContact O-N 3.28Å; G276-S278 PolarHBondContact O-N 3.4Å | ||
| 277 | M | 37.8 | Very low | 35.4 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -90.3 | 96.6 | 168.8 | -72.1 | 178.9 | 86.6 | 0 | 0 | 109.6 | A279 | M277-A279 PolarHBondContact O-N 2.65Š| ||
| 278 | S | 33.8 | Very low | 35.2 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -80.6 | 98.8 | 154.5 | -77.8 | 0 | 0 | 0 | 0 | 107.9 | G276 | G276-S278 PolarHBondContact O-N 3.4Š| ||
| 279 | A | 35.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -91.6 | 105.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | M277 | M277-A279 PolarHBondContact O-N 2.65Š| ||
| 280 | E | 32.3 | Very low | 35.4 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -83.7 | 137.3 | 168.5 | -68.3 | -159.6 | 152 | 0 | 0 | 111.1 | ||||
| 281 | S | 32.2 | Very low | 35.6 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 89.6 | 153.8 | 155.4 | 89.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 282 | P | 31.4 | Very low | 35.7 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -136.1 | 116.9 | -58.1 | 32.2 | -15.1 | 0 | 0 | 0 | 110.5 | |||||
| 283 | C | 37.5 | Very low | 35.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 91% | 0.905 | 78% | 0.776 | S | S | * | * | trans | -121.6 | 97.3 | 167.6 | -69.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 284 | N | 37.3 | Very low | 35.6 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -4.6 | 136.4 | 147 | -86.7 | -39.1 | 0 | 0 | 0 | 117.7 | ||||
| 285 | H | 41.7 | Very low | 35.3 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | 83.1 | 90.5 | 163.3 | -64.5 | 52.3 | 0 | 0 | 0 | 116.8 | ||||
| 286 | G | 31.6 | Very low | 34.9 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 87.5 | 55.6 | 109.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 287 | S | 37.3 | Very low | 34.7 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -177.4 | 104.1 | 142.6 | 39.4 | 0 | 0 | 0 | 0 | 110.1 | Q289 | S287-Q289 PolarHBondContact O-N 3.25Š| ||
| 288 | R | 32 | Very low | 34.4 | Very low | 257 Ų | 257 | 151.7 Ų | 151.7 | 97% | 0.97 | 79% | 0.789 | S | S | * | * | trans | -71.8 | 100.8 | 162.4 | -92.2 | 179.2 | 166.7 | 175.6 | -4 | 107.5 | ||||
| 289 | Q | 39 | Very low | 34.5 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -116.8 | 114.6 | 156.7 | -79.5 | -170.7 | -15.9 | 0 | 0 | 108.5 | S287 L291 | S287-Q289 PolarHBondContact O-N 3.25Å; Q289-L291 PolarHBondContact O-N 2.8Å | ||
| 290 | H | 34.4 | Very low | 34.4 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -82.5 | 95.1 | 177.3 | -136.5 | -113.8 | 0 | 0 | 0 | 106.6 | ||||
| 291 | L | 35.6 | Very low | 34.7 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | -116.6 | 90.7 | 166.8 | -83.6 | 161.3 | 0 | 0 | 0 | 107.3 | Q289 E293 | Q289-L291 PolarHBondContact O-N 2.8Å; L291-E293 PolarHBondContact O-N 3.02Å; L291-E293 VanDerWaalsContact O-N 3.14Å | ||
| 292 | K | 35.9 | Very low | 34.8 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -76.6 | 78.7 | 161.1 | -86.3 | -175.9 | 172.5 | -178.1 | 0 | 107 | ||||
| 293 | E | 35.9 | Very low | 35.2 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -96.9 | 111.6 | 163.5 | -105.3 | 173.9 | 165.3 | 0 | 0 | 107.9 | L291 M295 | L291-E293 PolarHBondContact O-N 3.02Å; L291-E293 VanDerWaalsContact O-N 3.14Å; E293-M295 PolarHBondContact O-N 3.02Å | ||
| 294 | W | 32.1 | Very low | 35.1 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | trans | -71.8 | 114.8 | 172.7 | -64.2 | 85.7 | 0 | 0 | 0 | 107.7 | ||||
| 295 | M | 30.3 | Very low | 35.3 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | trans | -89.7 | 105.1 | 165.6 | -117.5 | 171.4 | 76.3 | 0 | 0 | 107.8 | E293 L297 | E293-M295 PolarHBondContact O-N 3.02Å; M295-L297 PolarHBondContact O-N 3.36Å | ||
| 296 | E | 33.5 | Very low | 35.5 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | trans | -65.7 | 110 | 168.4 | -170.8 | -175.4 | 154.6 | 0 | 0 | 108.2 | R298 | E296-R298 HydrophobicContact CG-CG 4.36Å; E296-R298 IonicContact OE1-CZ 3.53Å; E296-R298 IonicContact OE1-NE 2.66Å; E296-R298 PolarHBondContact OE1-NE 3Å; E296-R298 IonicContact OE1-NH2 3.53Å; E296-R298 PolarHBondContact OE1-NH2 3.19Å | ||
| 297 | L | 31.5 | Very low | 35.7 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | trans | -98 | 96.6 | 179.4 | -128.4 | 148.3 | 0 | 0 | 0 | 108.5 | M295 V299 | M295-L297 PolarHBondContact O-N 3.36Å; L297-V299 HydrophobicContact CD2-CG2 4.16Å; L297-V299 PolarHBondContact O-N 3.38Å | ||
| 298 | R | 31.5 | Very low | 36.2 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -80.6 | 110.6 | 174.1 | -66.6 | -175.6 | 178.4 | -141.5 | -6.1 | 109.6 | E296 | E296-R298 HydrophobicContact CG-CG 4.36Å; E296-R298 IonicContact OE1-CZ 3.53Å; E296-R298 IonicContact OE1-NE 2.66Å; E296-R298 PolarHBondContact OE1-NE 3Å; E296-R298 IonicContact OE1-NH2 3.53Å; E296-R298 PolarHBondContact OE1-NH2 3.19Å | ||
| 299 | V | 37.2 | Very low | 36.7 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 51% | 0.509 | 70% | 0.703 | S | S | . | * | trans | -100.2 | 111.5 | 171.6 | -176 | 0 | 0 | 0 | 0 | 108.8 | L297 A301 L313 | L297-V299 HydrophobicContact CD2-CG2 4.16Å; L297-V299 PolarHBondContact O-N 3.38Å; V299-A301 PolarHBondContact O-N 3.08Å; V299-L313 HydrophobicContact CG1-CD1 3.88Å | ||
| 300 | N | 33 | Very low | 36.8 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | trans | -76.3 | 102.6 | 170.4 | -67.2 | -41.3 | 0 | 0 | 0 | 108.7 | ||||
| 301 | A | 38.1 | Very low | 37.4 | Very low | 61 Ų | 61 | 123.7 Ų | 123.7 | 50% | 0.504 | 67% | 0.674 | S | S | . | * | trans | -106 | 130 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V299 | V299-A301 PolarHBondContact O-N 3.08Š| ||
| 302 | V | 34.9 | Very low | 38 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 67% | 0.667 | 68% | 0.681 | S | S | * | * | trans | -91.1 | 115.3 | 169.4 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | L304 | V302-L304 HydrophobicContact CG1-CD2 3.92Å; V302-L304 HydrophobicContact CG1-CG 4.35Å | ||
| 303 | V | 38.2 | Very low | 38.7 | Very low | 100 Ų | 100 | 117.7 Ų | 117.7 | 61% | 0.606 | 66% | 0.664 | S | S | * | * | trans | -88 | 110.3 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 304 | L | 36.2 | Very low | 39.3 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 60% | 0.602 | 65% | 0.646 | S | S | * | * | trans | -83.3 | 128.6 | 174.8 | -65.2 | 176.5 | 0 | 0 | 0 | 109.8 | V302 A306 C309 | V302-L304 HydrophobicContact CG1-CD2 3.92Å; V302-L304 HydrophobicContact CG1-CG 4.35Å; L304-A306 PolarHBondContact O-N 2.93Å; L304-C309 PolarHBondContact O-SG 3.28Å | ||
| 305 | A | 42.1 | Very low | 40.4 | Very low | 111 Ų | 111 | 105.7 Ų | 105.7 | 92% | 0.917 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -74.8 | 27.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 306 | A | 44.9 | Very low | 41.4 | Very low | 66 Ų | 66 | 104 Ų | 104 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -136.8 | 120.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L304 C309 | L304-A306 PolarHBondContact O-N 2.93Å; A306-C309 PolarHBondContact O-SG 3.28Å; A306-C309 VanDerWaalsContact O-SG 3.37Å |
| 307 | P | 37 | Very low | 42.5 | Very low | 119 Ų | 119 | 99.1 Ų | 99.1 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -74.7 | 146.9 | 175.1 | 28.4 | -31.2 | 0 | 0 | 0 | 112 | ||
| 308 | P | 46.8 | Very low | 43.6 | Very low | 123 Ų | 123 | 93.9 Ų | 93.9 | 80% | 0.799 | 58% | 0.58 | S | S | * | * | S | Bend | cis | -83.6 | 119.9 | -1.1 | 31.9 | -27.9 | 0 | 0 | 0 | 110 | P310 | P308-P310 WeakPolarHBondContact O-CD 3.46Š|
| 309 | C | 42.4 | Very low | 44.8 | Very low | 66 Ų | 66 | 89.5 Ų | 89.5 | 45% | 0.446 | 57% | 0.574 | S | S | . | * | trans | -73.6 | 111.8 | 177.8 | -39.2 | 0 | 0 | 0 | 0 | 108.3 | L304 A306 L311 | L304-C309 PolarHBondContact O-SG 3.28Å; A306-C309 PolarHBondContact O-SG 3.28Å; A306-C309 VanDerWaalsContact O-SG 3.37Å; C309-L311 PolarHBondContact O-N 3.36Å | ||
| 310 | P | 40.6 | Very low | 45.8 | Very low | 109 Ų | 109 | 90.5 Ų | 90.5 | 71% | 0.708 | 59% | 0.585 | S | S | * | * | trans | -75.6 | 112.1 | 159.1 | 13.5 | 4.1 | 0 | 0 | 0 | 105.5 | P308 A312 | P308-P310 WeakPolarHBondContact O-CD 3.46Å; P310-A312 PolarHBondContact O-N 3.42Å | ||
| 311 | L | 47.2 | Very low | 46.9 | Very low | 53 Ų | 53 | 88 Ų | 88 | 28% | 0.277 | 57% | 0.571 | S | S | . | * | trans | -51.3 | 131.4 | 160 | -75.9 | 166.3 | 0 | 0 | 0 | 106.7 | C309 L313 G314 M315 L318 L325 | C309-L311 PolarHBondContact O-N 3.36Å; L311-L313 CarbonylContact C-O 3.57Å; L311-L313 VanDerWaalsContact CB-O 3.27Å; L311-L313 WeakPolarHBondContact CB-O 3.38Å; L311-L313 CarbonylContact O-C 3.54Å; L311-L313 PolarHBondContact O-N 3.21Å; L311-L313 VanDerWaalsContact O-O 3.1Å; L311-G314 PolarHBondContact O-N 3.44Å; L311-M315 HydrophobicContact CD1-CE 3.67Å; L311-L318 HydrophobicContact CB-CD1 4.47Å; L311-L318 HydrophobicContact CD1-CD1 3.69Å; L311-L325 HydrophobicContact CD1-CD1 3.69Å | ||
| 312 | A | 47.9 | Very low | 47.2 | Very low | 101 Ų | 101 | 88.1 Ų | 88.1 | 84% | 0.835 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -55.8 | -21.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P310 | P310-A312 PolarHBondContact O-N 3.42Š|
| 313 | L | 52.2 | Low | 48 | Very low | 71 Ų | 71 | 84.4 Ų | 84.4 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -94.6 | 104.2 | 158.3 | -62.7 | 169.3 | 0 | 0 | 0 | 107.5 | V299 L311 A317 L318 | V299-L313 HydrophobicContact CG1-CD1 3.88Å; L311-L313 CarbonylContact C-O 3.57Å; L311-L313 VanDerWaalsContact CB-O 3.27Å; L311-L313 WeakPolarHBondContact CB-O 3.38Å; L311-L313 CarbonylContact O-C 3.54Å; L311-L313 PolarHBondContact O-N 3.21Å; L311-L313 VanDerWaalsContact O-O 3.1Å; L313-A317 HydrophobicContact CB-CB 4.5Å; L313-L318 HydrophobicContact CB-CD1 4.48Å; L313-L318 HydrophobicContact CB-CD2 4.32Å; L313-L318 HydrophobicContact CB-CG 4.11Å; L313-L318 HydrophobicContact CD1-CD2 4.22Å |
| 314 | G | 47.6 | Very low | 48.2 | Very low | 40 Ų | 40 | 85.9 Ų | 85.9 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | trans | -50.9 | 152.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L311 D316 A317 L318 | L311-G314 PolarHBondContact O-N 3.44Å; G314-D316 PolarHBondContact O-N 3.04Å; G314-A317 WeakPolarHBondContact O-CA 3.47Å; G314-A317 WeakPolarHBondContact O-CB 3.36Å; G314-A317 PolarHBondContact O-N 3.48Å; G314-L318 PolarHBondContact O-N 3.2Å | ||
| 315 | M | 54.9 | Low | 48.7 | Very low | 101 Ų | 101 | 84.4 Ų | 84.4 | 50% | 0.498 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.2 | -33.4 | -177.6 | -66.1 | -85.4 | 68.8 | 0 | 0 | 112.6 | L311 A317 L318 T319 L325 | L311-M315 HydrophobicContact CD1-CE 3.67Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 3.18Å; M315-L318 HydrophobicContact CE-CB 4.43Å; M315-L318 HydrophobicContact CE-CD1 3.51Å; M315-L318 PolarHBondContact O-N 3.48Å; M315-T319 WeakPolarHBondContact O-CB 3.47Å; M315-T319 PolarHBondContact O-N 3.49Å; M315-T319 PolarHBondContact O-OG1 3.31Å; M315-L325 HydrophobicContact CE-CD1 4.27Å |
| 316 | D | 52.6 | Low | 48.6 | Very low | 133 Ų | 133 | 87.8 Ų | 87.8 | 71% | 0.711 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62 | -37.9 | 174.5 | -58.4 | -28.5 | 0 | 0 | 0 | 112.8 | G314 S320 | G314-D316 PolarHBondContact O-N 3.04Å; D316-S320 VanDerWaalsContact O-CB 3.26Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 2.85Å; D316-S320 PolarHBondContact O-OG 3.22Å |
| 317 | A | 56.1 | Low | 48.4 | Very low | 40 Ų | 40 | 93 Ų | 93 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L313 G314 M315 S320 L321 | L313-A317 HydrophobicContact CB-CB 4.5Å; G314-A317 WeakPolarHBondContact O-CA 3.47Å; G314-A317 WeakPolarHBondContact O-CB 3.36Å; G314-A317 PolarHBondContact O-N 3.48Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 3.18Å; A317-S320 PolarHBondContact O-N 2.98Å; A317-L321 VanDerWaalsContact O-CG 3.31Å; A317-L321 WeakPolarHBondContact O-CG 3.06Å; A317-L321 PolarHBondContact O-N 2.84Å; A317-L321 VanDerWaalsContact O-N 3.1Å |
| 318 | L | 54.8 | Low | 48.2 | Very low | 20 Ų | 20 | 89.6 Ų | 89.6 | 11% | 0.105 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -67.7 | -42.4 | 175.9 | -71 | 168.4 | 0 | 0 | 0 | 111.5 | L311 L313 G314 M315 S320 L321 G322 V323 L325 | L311-L318 HydrophobicContact CB-CD1 4.47Å; L311-L318 HydrophobicContact CD1-CD1 3.69Å; L313-L318 HydrophobicContact CB-CD1 4.48Å; L313-L318 HydrophobicContact CB-CD2 4.32Å; L313-L318 HydrophobicContact CB-CG 4.11Å; L313-L318 HydrophobicContact CD1-CD2 4.22Å; G314-L318 PolarHBondContact O-N 3.2Å; M315-L318 HydrophobicContact CE-CB 4.43Å; M315-L318 HydrophobicContact CE-CD1 3.51Å; M315-L318 PolarHBondContact O-N 3.48Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 3.05Å; L318-L321 CarbonylContact O-C 3.05Å; L318-L321 PolarHBondContact O-N 3.13Å; L318-G322 PolarHBondContact O-N 3.2Å; L318-V323 CarbonylContact C-O 3.57Å; L318-V323 HydrophobicContact CB-CB 4.4Å; L318-V323 HydrophobicContact CD2-CB 4.41Å; L318-V323 HydrophobicContact CD2-CG1 4.47Å; L318-V323 PolarHBondContact O-N 2.93Å; L318-L325 HydrophobicContact CD1-CD1 3.77Å |
| 319 | T | 56.6 | Low | 47.9 | Very low | 93 Ų | 93 | 88.1 Ų | 88.1 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -40.3 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | M315 L321 G322 | M315-T319 WeakPolarHBondContact O-CB 3.47Å; M315-T319 PolarHBondContact O-N 3.49Å; M315-T319 PolarHBondContact O-OG1 3.31Å; T319-L321 PolarHBondContact O-N 3.19Å; T319-G322 PolarHBondContact O-N 3.33Å |
| 320 | S | 58.2 | Low | 47.5 | Very low | 106 Ų | 106 | 90.7 Ų | 90.7 | 74% | 0.741 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.4 | -22.9 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | D316 A317 L318 G322 | D316-S320 VanDerWaalsContact O-CB 3.26Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 2.85Å; D316-S320 PolarHBondContact O-OG 3.22Å; A317-S320 PolarHBondContact O-N 2.98Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 3.05Å; S320-G322 VanDerWaalsContact C-N 3.31Å |
| 321 | L | 55.7 | Low | 47.2 | Very low | 111 Ų | 111 | 89 Ų | 89 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 2.9 | 173.3 | -69.7 | 170.1 | 0 | 0 | 0 | 113 | A317 L318 T319 V323 | A317-L321 VanDerWaalsContact O-CG 3.31Å; A317-L321 WeakPolarHBondContact O-CG 3.06Å; A317-L321 PolarHBondContact O-N 2.84Å; A317-L321 VanDerWaalsContact O-N 3.1Å; L318-L321 CarbonylContact O-C 3.05Å; L318-L321 PolarHBondContact O-N 3.13Å; T319-L321 PolarHBondContact O-N 3.19Å; L321-V323 HydrophobicContact CB-CG2 4.17Å; L321-V323 PolarHBondContact O-N 2.94Å |
| 322 | G | 44.8 | Very low | 46.4 | Very low | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.8 | 12.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L318 T319 S320 | L318-G322 PolarHBondContact O-N 3.2Å; T319-G322 PolarHBondContact O-N 3.33Å; S320-G322 VanDerWaalsContact C-N 3.31Å |
| 323 | V | 50.3 | Low | 45.5 | Very low | 33 Ų | 33 | 92.7 Ų | 92.7 | 20% | 0.2 | 57% | 0.571 | C | S | . | * | trans | -92.7 | 112.4 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 109 | V273 L318 L321 L325 | V273-V323 HydrophobicContact CG1-CG2 4.37Å; L318-V323 CarbonylContact C-O 3.57Å; L318-V323 HydrophobicContact CB-CB 4.4Å; L318-V323 HydrophobicContact CD2-CB 4.41Å; L318-V323 HydrophobicContact CD2-CG1 4.47Å; L318-V323 PolarHBondContact O-N 2.93Å; L321-V323 HydrophobicContact CB-CG2 4.17Å; L321-V323 PolarHBondContact O-N 2.94Å; V323-L325 HydrophobicContact CG1-CD2 4.5Å; V323-L325 HydrophobicContact CG1-CG 4.26Å | ||
| 324 | T | 43.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 95.1 Ų | 95.1 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | trans | -94.3 | 124.9 | 165.8 | 18.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 325 | L | 47 | Very low | 43.6 | Very low | 83 Ų | 83 | 99.9 Ų | 99.9 | 44% | 0.435 | 60% | 0.6 | S | S | . | * | trans | -107.4 | 114.5 | 172.2 | -73.2 | 171.9 | 0 | 0 | 0 | 108.2 | L311 M315 L318 V323 | L311-L325 HydrophobicContact CD1-CD1 3.69Å; M315-L325 HydrophobicContact CE-CD1 4.27Å; L318-L325 HydrophobicContact CD1-CD1 3.77Å; V323-L325 HydrophobicContact CG1-CD2 4.5Å; V323-L325 HydrophobicContact CG1-CG 4.26Å | ||
| 326 | E | 38.5 | Very low | 42.6 | Very low | 183 Ų | 183 | 101.2 Ų | 101.2 | 86% | 0.855 | 61% | 0.609 | S | S | * | * | trans | -90.2 | 117.9 | 164.1 | -74.1 | -152.8 | 145.9 | 0 | 0 | 109.4 | S328 | E326-S328 PolarHBondContact O-N 3.47Š| ||
| 327 | L | 41.2 | Very low | 41.5 | Very low | 174 Ų | 174 | 102.4 Ų | 102.4 | 91% | 0.911 | 61% | 0.612 | S | S | * | * | trans | -84.5 | 96.3 | 170.2 | -66 | 171.2 | 0 | 0 | 0 | 107.8 | ||||
| 328 | S | 33.7 | Very low | 40.5 | Very low | 48 Ų | 48 | 107.8 Ų | 107.8 | 34% | 0.336 | 64% | 0.636 | S | S | . | * | trans | -70.4 | 136.9 | 169.7 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | E326 Q330 | E326-S328 PolarHBondContact O-N 3.47Å; S328-Q330 CarbonylContact C-O 3.53Å; S328-Q330 WeakPolarHBondContact CB-O 3.23Å; S328-Q330 CarbonylContact O-C 3.57Å; S328-Q330 PolarHBondContact O-N 2.87Å; S328-Q330 PolarHBondContact OG-N 2.84Å; S328-Q330 VanDerWaalsContact OG-N 3.1Å; S328-Q330 PolarHBondContact OG-O 3.3Å; S328-Q330 VanDerWaalsContact OG-O 3.13Å; S328-Q330 PolarHBondContact OG-OE1 3.12Å; S328-Q330 VanDerWaalsContact OG-OE1 3.13Å | ||
| 329 | A | 38.7 | Very low | 39.6 | Very low | 93 Ų | 93 | 114.7 Ų | 114.7 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -65.4 | -14.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 330 | Q | 35.9 | Very low | 38.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -91.3 | 119.6 | 159.2 | -61.8 | 100.7 | 16.1 | 0 | 0 | 108.1 | S328 S332 | S328-Q330 CarbonylContact C-O 3.53Å; S328-Q330 WeakPolarHBondContact CB-O 3.23Å; S328-Q330 CarbonylContact O-C 3.57Å; S328-Q330 PolarHBondContact O-N 2.87Å; S328-Q330 PolarHBondContact OG-N 2.84Å; S328-Q330 VanDerWaalsContact OG-N 3.1Å; S328-Q330 PolarHBondContact OG-O 3.3Å; S328-Q330 VanDerWaalsContact OG-O 3.13Å; S328-Q330 PolarHBondContact OG-OE1 3.12Å; S328-Q330 VanDerWaalsContact OG-OE1 3.13Å; Q330-S332 PolarHBondContact O-N 3.44Å |
| 331 | G | 32.8 | Very low | 37.4 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.7 | 127.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L333 | G331-L333 PolarHBondContact O-N 2.89Š|
| 332 | S | 31.3 | Very low | 36.3 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.2 | 64.4 | 164.8 | -45.5 | 0 | 0 | 0 | 0 | 116.9 | Q330 | Q330-S332 PolarHBondContact O-N 3.44Š|
| 333 | L | 28.7 | Very low | 36 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 58% | 0.581 | 71% | 0.712 | S | S | * | * | trans | -100.1 | 101.7 | 154.7 | -159.9 | 87.3 | 0 | 0 | 0 | 108.4 | G331 Q335 | G331-L333 PolarHBondContact O-N 2.89Å; L333-Q335 HydrophobicContact CD2-CB 4.14Å; L333-Q335 PolarHBondContact O-N 3.34Å | ||
| 334 | V | 29.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | -80.4 | 98 | 166.8 | 179 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 335 | Q | 31 | Very low | 35.2 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | trans | -104.7 | 102.1 | 176.7 | -160.2 | 168.4 | 3.6 | 0 | 0 | 109.4 | L333 M337 | L333-Q335 HydrophobicContact CD2-CB 4.14Å; L333-Q335 PolarHBondContact O-N 3.34Å; Q335-M337 HydrophobicContact CG-CG 4.4Å; Q335-M337 PolarHBondContact O-N 3.15Å | ||
| 336 | L | 32.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 101 | 168.8 | -87.6 | 151.9 | 0 | 0 | 0 | 108.9 | ||||
| 337 | M | 29.5 | Very low | 34.6 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | -94.7 | 107.1 | 163.8 | -66.6 | -159.9 | 75.9 | 0 | 0 | 108.8 | Q335 | Q335-M337 HydrophobicContact CG-CG 4.4Å; Q335-M337 PolarHBondContact O-N 3.15Å | ||
| 338 | N | 35.5 | Very low | 34.2 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -82.8 | 128.4 | 163.7 | -98.3 | -23.2 | 0 | 0 | 0 | 108.9 | R340 | N338-R340 PolarHBondContact O-N 2.68Š| ||
| 339 | D | 35.7 | Very low | 34.1 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -51.5 | 106.8 | 172.1 | -71.5 | -53.2 | 0 | 0 | 0 | 112.2 | ||||
| 340 | R | 34.4 | Very low | 33.9 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -131.8 | 111.1 | 146.3 | -88.5 | -169.9 | 175 | 179.7 | -0.8 | 108.3 | N338 | N338-R340 PolarHBondContact O-N 2.68Š| ||
| 341 | Q | 34.9 | Very low | 33.7 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 147.3 | 165.8 | -91.2 | -160.5 | -10.6 | 0 | 0 | 111.3 | T343 | Q341-T343 PolarHBondContact O-N 3.42Š|
| 342 | P | 32.2 | Very low | 33.6 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 130.5 | -174.5 | 30.5 | -32.5 | 0 | 0 | 0 | 109.7 | ||
| 343 | T | 39 | Very low | 33.9 | Very low | 137 Ų | 137 | 153 Ų | 153 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 117.6 | 164.2 | 18.1 | 0 | 0 | 0 | 0 | 108 | Q341 K345 | Q341-T343 PolarHBondContact O-N 3.42Å; T343-K345 PolarHBondContact O-N 3.15Å |
| 344 | D | 33.3 | Very low | 34.3 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 121.8 | 170.3 | -76.7 | -45.4 | 0 | 0 | 0 | 110.8 | ||
| 345 | K | 42.3 | Very low | 34.2 | Very low | 192 Ų | 192 | 160.3 Ų | 160.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 155.8 | 142 | 140.9 | -81.4 | 152.4 | -165.7 | -179.5 | 0 | 110.3 | T343 | T343-K345 PolarHBondContact O-N 3.15Š| ||
| 346 | E | 38.3 | Very low | 34.5 | Very low | 183 Ų | 183 | 160.6 Ų | 160.6 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | 82.1 | 78.2 | -176 | -54.8 | -170.6 | 161.9 | 0 | 0 | 113.4 | ||||
| 347 | I | 35.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | 48.4 | 92.2 | 66.2 | -40.5 | 176 | 0 | 0 | 0 | 112.5 | |||||
| 348 | L | 32.6 | Very low | 35 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | -178.2 | 132.8 | 100.7 | -90.2 | 172.1 | 0 | 0 | 0 | 110.8 | |||||
| 349 | P | 32.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 160.8 Ų | 160.8 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | trans | -92 | 143.2 | -176.4 | 35.7 | -30.5 | 0 | 0 | 0 | 111.5 | ||||
| 350 | T | 34.3 | Very low | 35 | Very low | 140 Ų | 140 | 157.5 Ų | 157.5 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -126.7 | 99.1 | 162.1 | -47.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 351 | R | 31 | Very low | 34.7 | Very low | 219 Ų | 219 | 152.6 Ų | 152.6 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 64.4 | 104.8 | 141.3 | -147.9 | 168.3 | 173.1 | 156.6 | -3.2 | 119 | ||||
| 352 | A | 31.2 | Very low | 34.4 | Very low | 89 Ų | 89 | 149.9 Ų | 149.9 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 143.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 353 | E | 37.2 | Very low | 34.2 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | trans | -133.6 | 107.2 | 145.7 | -72.1 | -171.2 | 171.2 | 0 | 0 | 109.2 | ||||
| 354 | T | 35.9 | Very low | 33.7 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 56.3 | 105.3 | 144.1 | 56.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 355 | W | 29.2 | Very low | 33.3 | Very low | 251 Ų | 251 | 150.1 Ų | 150.1 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | trans | -82.3 | 141.8 | 155.2 | -70.3 | 54 | 0 | 0 | 0 | 110.4 | ||||
| 356 | T | 36.4 | Very low | 32.7 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -144.2 | 126.3 | 142.7 | 45 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 357 | A | 34.7 | Very low | 32.1 | Very low | 90 Ų | 90 | 140.2 Ų | 140.2 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -64.2 | 149.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 358 | E | 37.9 | Very low | 31.7 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | 176.8 | 134.3 | 128.6 | -96.9 | 172.8 | -164.6 | 0 | 0 | 111.5 | |||||
| 359 | E | 39 | Very low | 31.6 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 88.2 | 150 | 146.5 | -63.7 | -91.7 | 130.1 | 0 | 0 | 120.9 | ||||
| 360 | P | 32.7 | Very low | 31.5 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 62% | 0.617 | 80% | 0.796 | S | S | * | * | trans | -104.4 | 162.7 | -130.2 | 38.7 | -35.9 | 0 | 0 | 0 | 116.1 | T362 | P360-T362 PolarHBondContact O-N 2.81Š| ||
| 361 | I | 27.3 | Very low | 31.3 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -62.3 | 111.5 | 177.2 | -58.9 | 167 | 0 | 0 | 0 | 109.8 | ||||
| 362 | T | 30.4 | Very low | 31.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -104.3 | 137.8 | 170.3 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | P360 | P360-T362 PolarHBondContact O-N 2.81Š| ||
| 363 | S | 27.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -48.4 | 128 | -174.8 | 178.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 364 | V | 27.9 | Very low | 32 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -86.9 | 105.9 | 168.6 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 365 | M | 25.9 | Very low | 32.2 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | trans | -93.8 | 114 | 162.5 | -80 | -99.7 | -77.1 | 0 | 0 | 108.3 | G367 | M365-G367 PolarHBondContact O-N 2.98Š| ||
| 366 | A | 29.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -79.2 | 102.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 367 | G | 26.3 | Very low | 32.9 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 122.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | M365 | M365-G367 PolarHBondContact O-N 2.98Š| ||
| 368 | V | 27.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -96.4 | 111.9 | 169.3 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | Y370 | V368-Y370 HydrophobicContact CG1-CE2 4.35Š| ||
| 369 | T | 29.6 | Very low | 33.1 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -88 | 127.8 | 166.9 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 370 | Y | 30.2 | Very low | 33.1 | Very low | 226 Ų | 226 | 133.7 Ų | 133.7 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -86.6 | 123.5 | 166.7 | -79.1 | -90.3 | 0 | 0 | 0 | 108.5 | V368 | V368-Y370 HydrophobicContact CG1-CE2 4.35Š| ||
| 371 | G | 30.3 | Very low | 33.4 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -131.7 | 116.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 372 | E | 37.5 | Very low | 34.1 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -136.3 | 114.3 | 147.3 | -74.7 | -165.2 | 143.6 | 0 | 0 | 108.3 | ||||
| 373 | Q | 34.7 | Very low | 34.4 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -70.4 | 131.6 | 166.1 | -73.7 | 168.8 | -42.1 | 0 | 0 | 109.1 | ||||
| 374 | L | 42.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | trans | -139.7 | 115.9 | 141.3 | -76.1 | -178.6 | 0 | 0 | 0 | 108.9 | ||||
| 375 | N | 40.3 | Very low | 35.2 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -67 | 149.1 | 174.1 | -66.1 | -41.2 | 0 | 0 | 0 | 111 | ||||
| 376 | G | 38.9 | Very low | 35.8 | Very low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | 163.7 | 77.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 377 | E | 42 | Very low | 35.9 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | 29 | 109.3 | 137.2 | -51.9 | -178.8 | 136.7 | 0 | 0 | 116.1 | ||||
| 378 | G | 38.8 | Very low | 36.6 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | 105.1 | 115 | 75.8 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 379 | G | 37.4 | Very low | 37 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | 164.4 | 81.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 380 | E | 37.6 | Very low | 37.6 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -54.1 | 152.4 | 179.4 | -110.2 | 159.2 | 82.8 | 0 | 0 | 117.5 | ||||
| 381 | S | 40.8 | Very low | 38 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 59% | 0.587 | 82% | 0.815 | S | S | * | * | 100.7 | 122.2 | 127.4 | -88.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 382 | R | 40.5 | Very low | 38.2 | Very low | 250 Ų | 250 | 138.9 Ų | 138.9 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | 77 | 128.3 | 143.1 | -65.6 | 169.9 | 162.2 | -165.6 | -5.9 | 116.1 | ||||
| 383 | G | 37.4 | Very low | 38.4 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | cis | 151.5 | 145.1 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 384 | G | 37 | Very low | 38.3 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | trans | 71.6 | 138.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 385 | G | 34.7 | Very low | 38.4 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | cis | 153.3 | 159.5 | 11.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 386 | S | 38.7 | Very low | 38.3 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 86.1 | 95.6 | 160.7 | -149.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 387 | W | 31.3 | Very low | 38 | Very low | 230 Ų | 230 | 131.7 Ų | 131.7 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | -8.4 | 137 | 125.7 | -61.4 | 83.1 | 0 | 0 | 0 | 117.6 | |||||
| 388 | N | 40.8 | Very low | 37.7 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -166.4 | 113.6 | 138.1 | -88.7 | -33.1 | 0 | 0 | 0 | 111.7 | ||||
| 389 | H | 36.3 | Very low | 37.8 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.787 | 81% | 0.808 | S | S | * | * | trans | -84.5 | -178.3 | 146.6 | -95.9 | -73.4 | 0 | 0 | 0 | 108.1 | ||||
| 390 | P | 41.7 | Very low | 38.1 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | cis | -135.3 | -161.5 | -20.4 | 29.9 | -6.5 | 0 | 0 | 0 | 112.3 | ||||
| 391 | S | 38.7 | Very low | 37.9 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 106.8 | 103.4 | 154.7 | -36.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 392 | N | 34.1 | Very low | 38 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | 83.3 | 116.5 | 89.6 | -165 | 16.1 | 0 | 0 | 0 | 112.8 | |||||
| 393 | T | 42.5 | Very low | 37.9 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | 179.4 | 128.8 | 120.6 | 32 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 394 | N | 32.4 | Very low | 38.5 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -48.9 | 139.8 | 167.1 | -174.5 | 14.8 | 0 | 0 | 0 | 114.8 | ||||
| 395 | T | 44.3 | Very low | 39 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -165.1 | 136.9 | 141.5 | 42.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 396 | G | 37.7 | Very low | 39.1 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 120.2 | 61.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 397 | S | 32.6 | Very low | 39.7 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 133.9 | 159.9 | -53.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 398 | K | 37.5 | Very low | 40.3 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -164.9 | 114.7 | 153.8 | -106 | 170.7 | -172.2 | 178.2 | 0 | 110.4 | ||||
| 399 | S | 40.2 | Very low | 40.8 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -149.9 | 138.4 | 157.6 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 400 | Y | 43.6 | Very low | 41 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -91.5 | 145 | -156.7 | -73.9 | -101.5 | 0 | 0 | 0 | 113.1 | ||||
| 401 | H | 34 | Very low | 40.9 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 80% | 0.801 | 83% | 0.829 | S | S | * | * | trans | -81 | 135.2 | 169.4 | -132 | -77.4 | 0 | 0 | 0 | 110 | ||||
| 402 | V | 42.5 | Very low | 41.1 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -138.9 | 116.1 | 158 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 403 | S | 37.4 | Very low | 41.5 | Very low | 87 Ų | 87 | 152.3 Ų | 152.3 | 61% | 0.608 | 84% | 0.839 | S | S | * | * | trans | -117.4 | 134.3 | 167.2 | -60.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 404 | P | 51 | Low | 41.4 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 79% | 0.792 | 84% | 0.839 | S | S | * | * | trans | -95.3 | 112.8 | 168.7 | 31.2 | -24.4 | 0 | 0 | 0 | 111.8 | ||||
| 405 | V | 47.7 | Very low | 42 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | trans | 12.7 | 119.7 | 137.9 | -172.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 406 | S | 36.7 | Very low | 41.9 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -62.2 | 135.1 | 161 | -41 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 407 | R | 50.1 | Low | 42.2 | Very low | 243 Ų | 243 | 160.8 Ų | 160.8 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | trans | -114.3 | 117.2 | 163 | -119.6 | -176.9 | -166.2 | -166 | 4.3 | 109.9 | ||||
| 408 | L | 44.7 | Very low | 43 | Very low | 172 Ų | 172 | 163.9 Ų | 163.9 | 90% | 0.901 | 84% | 0.844 | S | S | * | * | trans | -61.8 | 132.9 | 163 | -83.9 | 136.7 | 0 | 0 | 0 | 110.9 | ||||
| 409 | K | 50.3 | Low | 43.5 | Very low | 279 Ų | 279 | 162 Ų | 162 | 100% | 1.213 | 85% | 0.848 | S | S | * | * | trans | -153.8 | 0 | 131.8 | -120.2 | -178.4 | -177.4 | -176.3 | 0 | 109.2 |
Retrieved 409 of 409 residues in 248.8 ms
(Link to these results)