| 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 | 40.2 | Very low | 42.2 | Very low | 240 Ų | 240 | 185.3 Ų | 185.3 | 100% | 1.182 | 89% | 0.889 | S | S | * | * | 0 | 137 | 0 | -67.4 | 171.6 | 174.5 | 0 | 0 | 109 | |||||
| 2 | P | 53.7 | Low | 42 | Very low | 132 Ų | 132 | 189.2 Ų | 189.2 | 86% | 0.857 | 89% | 0.888 | S | S | * | * | trans | -82.9 | 118.7 | -179 | 31.5 | -32.3 | 0 | 0 | 0 | 112.4 | ||||
| 3 | R | 44.8 | Very low | 41.6 | Very low | 256 Ų | 256 | 179.8 Ų | 179.8 | 97% | 0.966 | 87% | 0.873 | S | S | * | * | trans | -78.6 | 151.5 | 145.4 | -70.3 | 173.2 | 167.6 | 157.2 | -5.2 | 106.9 | ||||
| 4 | G | 38.6 | Very low | 41.1 | Very low | 70 Ų | 70 | 176.1 Ų | 176.1 | 72% | 0.722 | 88% | 0.875 | S | S | * | * | cis | 159.3 | 136.3 | 3.4 | 0 | 0 | 0 | 0 | 0 | 107 | L6 | G4-L6 PolarHBondContact O-N 3.16Š| ||
| 5 | F | 44.7 | Very low | 40.6 | Very low | 217 Ų | 217 | 170.9 Ų | 170.9 | 95% | 0.952 | 87% | 0.87 | S | S | * | * | trans | -65.3 | 131.9 | -175.2 | -96.2 | -121.5 | 0 | 0 | 0 | 111.8 | ||||
| 6 | L | 42.8 | Very low | 40.3 | Very low | 167 Ų | 167 | 169.1 Ų | 169.1 | 87% | 0.874 | 87% | 0.871 | S | S | * | * | trans | -147 | 115.8 | 150.5 | -144.5 | 126.9 | 0 | 0 | 0 | 114.4 | G4 | G4-L6 PolarHBondContact O-N 3.16Š| ||
| 7 | V | 44.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 170.1 Ų | 170.1 | 73% | 0.727 | 86% | 0.862 | S | S | * | * | trans | -14.6 | 117.4 | 168.6 | -174.1 | 0 | 0 | 0 | 0 | 116.8 | R9 | V7-R9 PolarHBondContact O-N 2.87Š| ||
| 8 | K | 41.5 | Very low | 39.3 | Very low | 195 Ų | 195 | 168.9 Ų | 168.9 | 85% | 0.848 | 85% | 0.845 | S | S | * | * | trans | -81.2 | 112 | 163.6 | -169.9 | 165.3 | -174.2 | 168.9 | 0 | 110.2 | N10 | K8-N10 PolarHBondContact O-N 3.26Å; K8-N10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | R | 36.8 | Very low | 38.7 | Very low | 236 Ų | 236 | 165.2 Ų | 165.2 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -60.1 | 114.7 | 176.3 | -74.5 | 178 | 171.4 | 151.1 | -3.5 | 111 | V7 R11 | V7-R9 PolarHBondContact O-N 2.87Å; R9-R11 PolarHBondContact O-N 3.01Å | ||
| 10 | N | 37.7 | Very low | 38.4 | Very low | 150 Ų | 150 | 165.9 Ų | 165.9 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -72.6 | 115.1 | 171 | -100.4 | -1.5 | 0 | 0 | 0 | 110.3 | K8 R12 | K8-N10 PolarHBondContact O-N 3.26Å; K8-N10 VanDerWaalsContact O-N 3.17Å; N10-R12 PolarHBondContact O-N 2.9Å | ||
| 11 | R | 38.6 | Very low | 38.4 | Very low | 255 Ų | 255 | 163.8 Ų | 163.8 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | trans | -71.4 | 94.5 | 168.2 | -166.3 | 179.2 | -166.7 | -175.3 | 5.1 | 108.2 | R9 G13 | R9-R11 PolarHBondContact O-N 3.01Å; R11-G13 PolarHBondContact O-N 2.88Å | ||
| 12 | R | 40.3 | Very low | 38.1 | Very low | 232 Ų | 232 | 159.5 Ų | 159.5 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 134.3 | 179.8 | -65.3 | -172.7 | -178.9 | -154.2 | 1.5 | 110 | N10 | N10-R12 PolarHBondContact O-N 2.9Š|
| 13 | G | 35.8 | Very low | 37.1 | Very low | 67 Ų | 67 | 156.4 Ų | 156.4 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 146.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R11 A15 | R11-G13 PolarHBondContact O-N 2.88Å; G13-A15 PolarHBondContact O-N 2.79Å |
| 14 | S | 34.5 | Very low | 36.7 | Very low | 129 Ų | 129 | 151 Ų | 151 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.4 | -177.3 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 15 | A | 33.8 | Very low | 36.3 | Very low | 97 Ų | 97 | 151 Ų | 151 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -113.7 | 119.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | G13 | G13-A15 PolarHBondContact O-N 2.79Š| ||
| 16 | T | 36.8 | Very low | 36 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -95.7 | 115.1 | -176.7 | 34.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 17 | Y | 29.9 | Very low | 36.5 | Very low | 186 Ų | 186 | 145 Ų | 145 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | trans | -163.8 | 135.5 | 178.1 | -155.9 | -110.3 | 0 | 0 | 0 | 105.9 | ||||
| 18 | R | 31.4 | Very low | 35.8 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 56% | 0.558 | 81% | 0.806 | S | S | * | * | cis | -152.1 | 161.6 | 1.7 | -153.7 | -171.7 | -160 | 162.9 | 5.2 | 106.9 | ||||
| 19 | A | 29.1 | Very low | 35.4 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -129.5 | 121.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 20 | R | 31.8 | Very low | 36.1 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 67% | 0.672 | 79% | 0.79 | S | S | * | * | trans | -114.4 | 134.4 | 160.1 | -96.5 | -171.7 | 169.7 | -173 | -5.8 | 105.5 | ||||
| 21 | S | 39 | Very low | 35.9 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -102.9 | 120.8 | 163.5 | -52.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 22 | D | 34.3 | Very low | 35.5 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -90.9 | 138.4 | 166.4 | -75 | -64 | 0 | 0 | 0 | 108.7 | ||||
| 23 | G | 32.3 | Very low | 35 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 175.6 | 105.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 24 | T | 36 | Very low | 35 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | 20.9 | 118.9 | 151.7 | 56.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 25 | G | 30.9 | Very low | 34.8 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | 78.3 | 125.7 | 80.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 26 | T | 38.4 | Very low | 35 | Very low | 141 Ų | 141 | 137 Ų | 137 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | cis | -152.5 | 177.5 | 24.5 | 2.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 27 | P | 52.4 | Low | 34.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -83.4 | 166.8 | -170.8 | 36.1 | -37.9 | 0 | 0 | 0 | 113.9 | ||||
| 28 | E | 30.8 | Very low | 35 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -162.4 | 155.9 | 139.7 | -88.7 | -113.7 | 109.6 | 0 | 0 | 110.9 | ||||
| 29 | A | 32.9 | Very low | 35 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -156.5 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 30 | P | 51.6 | Low | 35.2 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -141.7 | -167.5 | 9 | 44.2 | -25.6 | 0 | 0 | 0 | 115.3 | ||||
| 31 | S | 34.5 | Very low | 35.2 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 72.2 | 167.2 | 157.5 | 84.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 32 | C | 30.1 | Very low | 34.9 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | cis | -145.5 | -175.6 | 3 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 33 | D | 29.8 | Very low | 34.8 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -11.9 | 155.6 | 156.7 | -78 | -104.1 | 0 | 0 | 0 | 119.9 | ||||
| 34 | R | 35 | Very low | 34.9 | Very low | 225 Ų | 225 | 136.7 Ų | 136.7 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | cis | -160.2 | 162.9 | 33.4 | -147.5 | 160.1 | -173.4 | 171.7 | 1.2 | 114.4 | ||||
| 35 | S | 31 | Very low | 35.6 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -74.9 | 159.6 | 167.5 | 23.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 36 | R | 36.2 | Very low | 35.7 | Very low | 234 Ų | 234 | 143.8 Ų | 143.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | 171.6 | 110.3 | 116.7 | -173.6 | 165.4 | -171.7 | 152.2 | 0.8 | 116 | |||||
| 37 | A | 32.3 | Very low | 35.8 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | trans | 34.4 | 143.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 38 | Q | 35.3 | Very low | 34.9 | Very low | 199 Ų | 199 | 149 Ų | 149 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | 79.5 | 144.7 | 146.2 | -74.5 | 164.7 | -11.5 | 0 | 0 | 120.6 | ||||
| 39 | G | 30.3 | Very low | 35.2 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 153.7 | 113.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 40 | E | 34.2 | Very low | 35.5 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -106.4 | 177.7 | -173 | -66 | 175 | 94.9 | 0 | 0 | 113.6 | ||||
| 41 | S | 32.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | 113.1 | 172.6 | 144.5 | 81.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 42 | Y | 32.8 | Very low | 34.6 | Very low | 231 Ų | 231 | 145.7 Ų | 145.7 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -119.1 | 159.3 | -150.2 | -53.4 | -101.6 | 0 | 0 | 0 | 111.7 | ||||
| 43 | G | 30.7 | Very low | 34.8 | Very low | 77 Ų | 77 | 147.7 Ų | 147.7 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | 169.8 | 97.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 44 | S | 35.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -86.6 | 152.5 | 153.2 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 45 | P | 50.6 | Low | 36.1 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -131.8 | 169.8 | 138.3 | 35.4 | -24.6 | 0 | 0 | 0 | 113.7 | ||||
| 46 | R | 33.5 | Very low | 36.4 | Very low | 233 Ų | 233 | 142.6 Ų | 142.6 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -109.4 | 143.5 | -176.5 | -77.4 | 177 | 159.5 | -139.9 | -0.8 | 111.8 | ||||
| 47 | R | 39 | Very low | 36.3 | Very low | 240 Ų | 240 | 143.4 Ų | 143.4 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | 33.4 | 113.8 | 128.5 | -164.9 | -170.4 | -146.6 | -105.4 | 5.5 | 117.9 | |||||
| 48 | S | 34.6 | Very low | 36.2 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -132.8 | 166.1 | 151.1 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 49 | G | 37.2 | Very low | 36.2 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -175.5 | 155.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 50 | Q | 38.3 | Very low | 36.5 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 97% | 0.972 | 83% | 0.832 | S | S | * | * | trans | -146.2 | 171.5 | 176.2 | -75.9 | -179.7 | 7.6 | 0 | 0 | 109.1 | ||||
| 51 | G | 33.9 | Very low | 36.4 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -167.6 | -170 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 52 | G | 33.3 | Very low | 36.5 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | 104.1 | 149.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 53 | V | 35.7 | Very low | 36.5 | Very low | 150 Ų | 150 | 133 Ų | 133 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | cis | -149.4 | 161.2 | 2.4 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 54 | E | 34.5 | Very low | 36.6 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -81.3 | -175.6 | 168.8 | -94.7 | -82.4 | 92.3 | 0 | 0 | 111.7 | ||||
| 55 | P | 57.1 | Low | 36.5 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 60% | 0.604 | 82% | 0.824 | S | S | * | * | cis | -134.4 | 178.6 | -16.5 | 30.1 | -9.5 | 0 | 0 | 0 | 115 | ||||
| 56 | S | 36 | Very low | 35.7 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 83% | 0.825 | S | S | * | * | 147.3 | 125.9 | 121.7 | -68.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 57 | R | 34.8 | Very low | 36.1 | Very low | 251 Ų | 251 | 131.3 Ų | 131.3 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | trans | 50.9 | 132.4 | 135.5 | -57.3 | 176.8 | 177 | -171.9 | -1.3 | 122.3 | ||||
| 58 | G | 31 | Very low | 36.9 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 175.8 | 60.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 59 | A | 35.5 | Very low | 37 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | 17 | 136.3 | 153 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 60 | R | 36.3 | Very low | 36.9 | Very low | 253 Ų | 253 | 126 Ų | 126 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | trans | 63.9 | 151.3 | 143.5 | -63.6 | 174 | 179.3 | -152 | -0.5 | 119.5 | ||||
| 61 | G | 31.8 | Very low | 36.8 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | cis | 163.9 | 159.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 62 | G | 34.6 | Very low | 37.1 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | 87.9 | 158 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 63 | G | 32.1 | Very low | 37.3 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | cis | 159.7 | 111.4 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 64 | G | 32.7 | Very low | 37.5 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | 86.1 | 159.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 65 | G | 34.6 | Very low | 37.8 | Very low | 58 Ų | 58 | 133.3 Ų | 133.3 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | cis | 146.1 | 126.6 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 66 | F | 33.8 | Very low | 36.9 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | 66.7 | 162.5 | 169.3 | -42.8 | -77.9 | 0 | 0 | 0 | 116.7 | ||||
| 67 | K | 40.6 | Very low | 37 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | cis | -158.7 | 163.5 | -40.7 | -109.7 | -176.1 | 179.2 | -179.2 | 0 | 107.6 | ||||
| 68 | P | 55.8 | Low | 37.3 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -89.7 | 158.8 | -174.1 | 36.1 | -36 | 0 | 0 | 0 | 115 | ||||
| 69 | V | 36.6 | Very low | 37.4 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -139.9 | 151.7 | 170.2 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 70 | G | 35.4 | Very low | 37.3 | Very low | 59 Ų | 59 | 139.3 Ų | 139.3 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -133.5 | -162.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 71 | T | 37.5 | Very low | 37 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 71.5 | 125 | 169.8 | 71 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 72 | R | 39.6 | Very low | 37.1 | Very low | 244 Ų | 244 | 136.7 Ų | 136.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | -175.7 | 169.2 | 105.6 | -101.6 | -179.2 | 171.5 | -172.8 | -4.1 | 114.1 | |||||
| 73 | L | 37.9 | Very low | 37.1 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -75.9 | 159.8 | 179.4 | -83.9 | 61.5 | 0 | 0 | 0 | 113.1 | ||||
| 74 | L | 38.5 | Very low | 38 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | -153.5 | 149.5 | 119.4 | -146.2 | 75.3 | 0 | 0 | 0 | 111.8 | |||||
| 75 | E | 41.3 | Very low | 37.6 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -101.3 | 161.7 | 165.6 | -67.3 | 168 | 65.2 | 0 | 0 | 110.1 | ||||
| 76 | Q | 38.3 | Very low | 37.5 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -156.5 | 128.1 | 152.5 | -119.3 | 166.9 | 4.9 | 0 | 0 | 112.1 | ||||
| 77 | H | 39.1 | Very low | 38.3 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -86.7 | 152.6 | 168.2 | -84.7 | 69.7 | 0 | 0 | 0 | 110.6 | ||||
| 78 | V | 40.8 | Very low | 38.1 | Very low | 149 Ų | 149 | 139 Ų | 139 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | trans | -139.3 | 141.7 | 147.1 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 79 | E | 33.6 | Very low | 37.9 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | -127.8 | -167.4 | -171.2 | -158.7 | 167.1 | 102.7 | 0 | 0 | 110 | ||||
| 80 | S | 32.3 | Very low | 37.7 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 76.1 | 138.6 | 159.2 | -60.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 81 | E | 30 | Very low | 37.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | cis | -157.7 | 141.5 | -10.4 | -88.1 | -70.6 | 58.3 | 0 | 0 | 111.7 | ||||
| 82 | Q | 34.3 | Very low | 38.5 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 62% | 0.621 | 77% | 0.765 | S | S | * | * | trans | 39.5 | 120.7 | 131.1 | -59.7 | -179.5 | 34.6 | 0 | 0 | 122.5 | ||||
| 83 | Q | 34.8 | Very low | 38.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | 98.8 | 168.4 | 77.1 | -86.5 | -179.9 | -78.3 | 0 | 0 | 115.3 | |||||
| 84 | P | 50.5 | Low | 38.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | cis | -142.7 | 179 | -30.4 | 39 | -19.5 | 0 | 0 | 0 | 118.1 | ||||
| 85 | C | 25.2 | Very low | 38.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | 75.3 | 107.7 | 145.2 | -76 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 86 | S | 31.8 | Very low | 38.4 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 52.8 | 169.1 | 124.1 | 64.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 87 | P | 50.1 | Low | 38.2 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | cis | -131.4 | -151.3 | 1.5 | 44.1 | -25 | 0 | 0 | 0 | 116 | ||||
| 88 | V | 37 | Very low | 37.9 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -100.7 | 167.5 | -167.9 | -142.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 89 | P | 51.6 | Low | 37.6 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | -143.8 | 139.7 | 105.5 | 37.5 | -22.2 | 0 | 0 | 0 | 114.1 | |||||
| 90 | E | 32 | Very low | 37.5 | Very low | 187 Ų | 187 | 127.8 Ų | 127.8 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | 94.5 | 142.5 | 80.7 | -67 | -151.8 | 110.6 | 0 | 0 | 118.3 | |||||
| 91 | L | 37.1 | Very low | 37.6 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | -61.7 | 170 | -174.3 | -93 | 166.1 | 0 | 0 | 0 | 116.6 | ||||
| 92 | P | 53.3 | Low | 39.1 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | -149 | -168.5 | 70.3 | 41 | -18.3 | 0 | 0 | 0 | 118.5 | |||||
| 93 | D | 35.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 127 Ų | 127 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | -121 | 152.4 | -146.1 | -93.7 | -66 | 0 | 0 | 0 | 117.4 | ||||
| 94 | L | 36.9 | Very low | 39.3 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 64.1 | 178.8 | 142 | -67.4 | 173.5 | 0 | 0 | 0 | 118.4 | ||||
| 95 | P | 50.1 | Low | 38.5 | Very low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -136.9 | 168 | 4.1 | 45.1 | -28.2 | 0 | 0 | 0 | 119.3 | ||||
| 96 | F | 31.2 | Very low | 38.9 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 74% | 0.737 | 76% | 0.761 | S | S | * | * | trans | 35.5 | 138.2 | 144.7 | -103.5 | -113.4 | 0 | 0 | 0 | 125.1 | V98 | F96-V98 HydrophobicContact CD1-CG2 3.56Å; F96-V98 HydrophobicContact CE1-CG2 3.55Å | ||
| 97 | L | 35.4 | Very low | 39.1 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | 171.1 | 120.4 | 117.2 | -86.2 | 170.6 | 0 | 0 | 0 | 107.7 | |||||
| 98 | V | 33.5 | Very low | 38.4 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | 85.4 | 112 | 59.2 | 167 | 0 | 0 | 0 | 0 | 115.1 | F96 | F96-V98 HydrophobicContact CD1-CG2 3.56Å; F96-V98 HydrophobicContact CE1-CG2 3.55Å | |||
| 99 | S | 32.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 59.7 | 173.4 | 154.4 | -70.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 100 | A | 33.2 | Very low | 37.8 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -169.6 | 121.7 | -49.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 101 | A | 32.8 | Very low | 38.2 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 62.8 | -162.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 102 | P | 62.5 | Low | 38.2 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | -142.1 | 153.4 | -112.5 | 40.5 | -19.2 | 0 | 0 | 0 | 119.8 | |||||
| 103 | T | 37.8 | Very low | 37.6 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -148.5 | 146.1 | 155.3 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 104 | S | 34.9 | Very low | 37.6 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | 95.8 | 147.6 | 24.3 | -160.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 105 | V | 35.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 59.9 | 136.1 | -174.5 | -56 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 106 | S | 33.7 | Very low | 36.8 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | 77.1 | 135.9 | 27.9 | 85.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 107 | A | 35.7 | Very low | 36.8 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | cis | -168.8 | -165.8 | -9.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 108 | S | 34.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 72.7 | 165.3 | 172.6 | -43.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 109 | I | 37.9 | Very low | 36.2 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | cis | -132.3 | 130.1 | 11.3 | -72.2 | 178.3 | 0 | 0 | 0 | 105.9 | ||||
| 110 | E | 38.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 61% | 0.607 | 78% | 0.776 | S | S | * | * | 47.9 | 151.8 | 96.4 | -62.4 | -160.3 | 155.1 | 0 | 0 | 115.9 | |||||
| 111 | R | 40.1 | Very low | 35.8 | Very low | 197 Ų | 197 | 115.7 Ų | 115.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -163 | -174.4 | -2 | -121.8 | 171.2 | -167.5 | 152.4 | 0.6 | 108.9 | ||||
| 112 | L | 37.3 | Very low | 35.8 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 130.2 | 91.9 | 147 | -65 | -178.6 | 0 | 0 | 0 | 112.3 | ||||
| 113 | L | 40.3 | Very low | 34.4 | Very low | 153 Ų | 153 | 116.8 Ų | 116.8 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | 80.3 | 115.3 | 103.6 | -68.2 | -173.5 | 0 | 0 | 0 | 112.4 | |||||
| 114 | A | 36.2 | Very low | 34.3 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | 73.9 | 140.2 | 63 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 115 | S | 39 | Very low | 34.2 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | cis | -145.4 | 176.6 | 15 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 116 | G | 30.8 | Very low | 34.2 | Very low | 74 Ų | 74 | 122.4 Ų | 122.4 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | 150.2 | 143 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 117 | G | 30.2 | Very low | 34.3 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | trans | 77.1 | 158.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 118 | G | 28.7 | Very low | 34.3 | Very low | 83 Ų | 83 | 126 Ų | 126 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | cis | 152.8 | 134.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 119 | G | 27.9 | Very low | 34 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | 109.4 | 111.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 120 | S | 27.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | 57.7 | 114.9 | 126.5 | -51.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 121 | S | 29.6 | Very low | 33.6 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | 62.3 | 121.2 | 123.8 | -55.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 122 | S | 32.5 | Very low | 33.3 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 62.9 | 110.3 | 132.6 | -53.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 123 | N | 34.3 | Very low | 33.1 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 177.7 | 156.1 | 98.4 | -96.4 | -38.7 | 0 | 0 | 0 | 115.1 | |||||
| 124 | N | 34.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 10.6 | 149.1 | 144.8 | -41.4 | -43.3 | 0 | 0 | 0 | 119.2 | ||||
| 125 | N | 32.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | cis | 179.9 | 173 | 35.8 | -150.3 | -23.9 | 0 | 0 | 0 | 112.4 | ||||
| 126 | R | 34.8 | Very low | 32.1 | Very low | 212 Ų | 212 | 122.2 Ų | 122.2 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | trans | 65.7 | 152.6 | 158.1 | -67.3 | -169.9 | 160.9 | 168.1 | -5.1 | 118.2 | ||||
| 127 | L | 36.8 | Very low | 32.2 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | cis | -157.7 | 173.8 | -14.5 | -100.5 | 171.1 | 0 | 0 | 0 | 105.9 | ||||
| 128 | H | 35.1 | Very low | 32.4 | Very low | 141 Ų | 141 | 126 Ų | 126 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | cis | -143.7 | -160.2 | 5.8 | -136.6 | 153.9 | 0 | 0 | 0 | 106.1 | Q130 | H128-Q130 PolarHBondContact CE1-NE2 2.9Å; H128-Q130 VanDerWaalsContact CE1-NE2 3.33Å; H128-Q130 PolarHBondContact NE2-NE2 3.1Å | ||
| 129 | A | 28.9 | Very low | 32.7 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 63% | 0.628 | 72% | 0.719 | S | S | * | * | cis | -146.3 | 156.4 | -1.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 130 | Q | 36.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | 56.3 | 129.2 | 82.6 | -51.4 | -171 | 24.1 | 0 | 0 | 115.2 | H128 | H128-Q130 PolarHBondContact CE1-NE2 2.9Å; H128-Q130 VanDerWaalsContact CE1-NE2 3.33Å; H128-Q130 PolarHBondContact NE2-NE2 3.1Å | |||
| 131 | S | 31.2 | Very low | 33.4 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 51% | 0.51 | 71% | 0.712 | S | S | . | * | cis | -171.5 | 174.3 | 1.9 | 38.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 132 | Y | 33.4 | Very low | 33.9 | Very low | 230 Ų | 230 | 138.8 Ų | 138.8 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | 86.5 | 139.5 | 164.4 | -45.9 | -65.1 | 0 | 0 | 0 | 118.2 | ||||
| 133 | G | 33.5 | Very low | 34.2 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | cis | 168.4 | 143.4 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 134 | H | 32.3 | Very low | 34.2 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | 58.4 | 137.8 | 174.5 | -61.7 | -84.8 | 0 | 0 | 0 | 118.4 | ||||
| 135 | N | 30.1 | Very low | 34.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | 97.5 | 149.6 | 10.4 | -153.8 | 54.4 | 0 | 0 | 0 | 117.7 | ||||
| 136 | D | 32.8 | Very low | 35.2 | Very low | 113 Ų | 113 | 144 Ų | 144 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | trans | 75.4 | 149.6 | 172.1 | -57.9 | -65.8 | 0 | 0 | 0 | 116.7 | ||||
| 137 | N | 31.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | cis | -159.3 | 172.2 | -1 | -142 | -42.8 | 0 | 0 | 0 | 114 | ||||
| 138 | T | 35.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | 62.3 | 171.7 | 152.9 | 54.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 139 | K | 34.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | -175.9 | 152.9 | -60.3 | -120.4 | 176.6 | -177 | 171.5 | 0 | 109.5 | |||||
| 140 | Q | 35.7 | Very low | 35 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | 67.1 | 158.8 | 162.8 | -65.5 | -176.3 | 9.6 | 0 | 0 | 117.1 | ||||
| 141 | T | 34.1 | Very low | 35 | Very low | 102 Ų | 102 | 154.1 Ų | 154.1 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | cis | -156.3 | 175.3 | -12.1 | 25.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 142 | K | 40.2 | Very low | 35.2 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 80.3 | 164.5 | 159.3 | -72 | 153.8 | -174.6 | 175.3 | 0 | 117.2 | ||||
| 143 | K | 40 | Very low | 35.8 | Very low | 198 Ų | 198 | 156.3 Ų | 156.3 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -157 | 129.5 | -146.4 | -174.2 | 174.2 | -173.2 | 172.1 | 0 | 111.6 | ||||
| 144 | S | 32.9 | Very low | 36.1 | Very low | 120 Ų | 120 | 160.4 Ų | 160.4 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -147.9 | 158.8 | 167 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 145 | K | 42 | Very low | 36.5 | Very low | 188 Ų | 188 | 159.8 Ų | 159.8 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -141.5 | 165.4 | 178.6 | -73.6 | -173.4 | 173 | -173.5 | 0 | 107.9 | ||||
| 146 | P | 47.8 | Very low | 37.3 | Very low | 116 Ų | 116 | 159.1 Ų | 159.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -131.4 | 164 | -50 | 37.5 | -24 | 0 | 0 | 0 | 110.5 | ||||
| 147 | N | 26.6 | Very low | 37.6 | Very low | 162 Ų | 162 | 160.3 Ų | 160.3 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -154.8 | 152.4 | 156.5 | -140.5 | -39.8 | 0 | 0 | 0 | 114.2 | ||||
| 148 | R | 34.7 | Very low | 38.6 | Very low | 222 Ų | 222 | 160 Ų | 160 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 59.5 | 80.3 | 154.8 | -153.5 | 168.4 | -171.3 | 149.7 | 0.3 | 118.7 | ||||
| 149 | R | 35.5 | Very low | 38.6 | Very low | 238 Ų | 238 | 159.1 Ų | 159.1 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 30.3 | 115.5 | 134 | -64.4 | 177.8 | 172.9 | -120.4 | 0.8 | 118 | ||||
| 150 | Q | 35.4 | Very low | 39.5 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -155.7 | 161.9 | 126.6 | -122.9 | -173.4 | -90.1 | 0 | 0 | 112.5 | |||||
| 151 | N | 35.6 | Very low | 39.9 | Very low | 128 Ų | 128 | 153.8 Ų | 153.8 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | 47.6 | 97.9 | 167.4 | -59.4 | 12.5 | 0 | 0 | 0 | 117 | ||||
| 152 | F | 36.1 | Very low | 40.8 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -73.7 | 147.1 | 136.1 | -171.4 | -103.2 | 0 | 0 | 0 | 107.6 | ||||
| 153 | E | 44.8 | Very low | 41.1 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -92.8 | 128.4 | 177.6 | -64.6 | 167 | 113.4 | 0 | 0 | 108.5 | ||||
| 154 | D | 39.6 | Very low | 41.3 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -118.6 | 138.2 | 165 | -91.4 | -52.3 | 0 | 0 | 0 | 108.8 | ||||
| 155 | E | 41.2 | Very low | 41.8 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -84.4 | 153.5 | -150.7 | -69.6 | -164.3 | 103.6 | 0 | 0 | 116.4 | T157 | E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.27Å | ||
| 156 | V | 48 | Very low | 41.9 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | trans | -7.2 | 75.4 | 137.4 | -166.2 | 0 | 0 | 0 | 0 | 115.7 | T158 | V156-T158 HydrophobicContact CG1-CG2 3.67Å; V156-T158 PolarHBondContact O-N 3.04Å | ||
| 157 | T | 37.7 | Very low | 42.1 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -90 | 80 | 158.8 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | E155 S159 | E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.27Å; T157-S159 PolarHBondContact O-N 3.46Å; T157-S159 VanDerWaalsContact O-N 3.14Å | ||
| 158 | T | 53.3 | Low | 43 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -65.9 | 107.3 | 178.7 | 35.1 | 0 | 0 | 0 | 0 | 112 | V156 | V156-T158 HydrophobicContact CG1-CG2 3.67Å; V156-T158 PolarHBondContact O-N 3.04Å | ||
| 159 | S | 34.6 | Very low | 43.1 | Very low | 100 Ų | 100 | 153.5 Ų | 153.5 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 114.6 | 165.2 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | T157 V161 | T157-S159 PolarHBondContact O-N 3.46Å; T157-S159 VanDerWaalsContact O-N 3.14Å; S159-V161 VanDerWaalsContact C-N 3.27Å; S159-V161 PolarHBondContact O-N 3.25Å; S159-V161 VanDerWaalsContact O-N 3.1Å | ||
| 160 | P | 53.8 | Low | 43.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -87.5 | 37.4 | -169.2 | 36.1 | -37.6 | 0 | 0 | 0 | 114 | ||||
| 161 | V | 45.1 | Very low | 44 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -135 | 114.1 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | S159 | S159-V161 VanDerWaalsContact C-N 3.27Å; S159-V161 PolarHBondContact O-N 3.25Å; S159-V161 VanDerWaalsContact O-N 3.1Å |
| 162 | L | 51.6 | Low | 44.3 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 56.4 | 85.8 | 174.6 | -55.8 | 175 | 0 | 0 | 0 | 114.4 | L164 | L162-L164 PolarHBondContact O-N 3.16Š| ||
| 163 | G | 47.8 | Very low | 44.7 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -68.6 | 50 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117 | R165 | G163-R165 PolarHBondContact O-N 3.27Š| ||
| 164 | L | 42.7 | Very low | 44.3 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -84 | 81.7 | 177.3 | -79.1 | 158.6 | 0 | 0 | 0 | 111 | L162 I166 | L162-L164 PolarHBondContact O-N 3.16Å; L164-I166 PolarHBondContact O-N 3.04Å | ||
| 165 | R | 45.2 | Very low | 44.4 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -69.3 | 87 | 172.8 | 49.9 | 160.7 | -170.8 | -109.3 | -0.3 | 112 | G163 K167 | G163-R165 PolarHBondContact O-N 3.27Å; R165-K167 PolarHBondContact O-N 2.83Å; R165-K167 VanDerWaalsContact O-N 3.08Å | ||
| 166 | I | 43.6 | Very low | 44.1 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -68.7 | 105.5 | 174.5 | -57.2 | 177.9 | 0 | 0 | 0 | 109.2 | L164 | L164-I166 PolarHBondContact O-N 3.04Š| ||
| 167 | K | 52.4 | Low | 43.6 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | -75.6 | 129.2 | 167.6 | -150.6 | 78.2 | 172 | -175.8 | 0 | 107.7 | R165 | R165-K167 PolarHBondContact O-N 2.83Å; R165-K167 VanDerWaalsContact O-N 3.08Å | ||
| 168 | K | 43.7 | Very low | 44.3 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -90.9 | 101.8 | 172.6 | -179.3 | -178.4 | 176.8 | -179 | 0 | 108.3 | ||||
| 169 | E | 38.3 | Very low | 43.6 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -112.2 | 135.3 | 172.5 | 50.1 | -145 | 114.9 | 0 | 0 | 111.2 | ||||
| 170 | S | 35.4 | Very low | 43.8 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 148.1 | -173.6 | -57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 171 | P | 53.7 | Low | 43.3 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -68.8 | 140.6 | 167.8 | 31.4 | -34.3 | 0 | 0 | 0 | 110.3 | ||||
| 172 | E | 41.1 | Very low | 43.5 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -173.4 | 110.1 | 134 | -101.4 | -60.7 | 90.5 | 0 | 0 | 110.4 | ||||
| 173 | L | 44.9 | Very low | 43.3 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | trans | 23.7 | 118 | 152.5 | -54.8 | 174.7 | 0 | 0 | 0 | 120.1 | ||||
| 174 | R | 37.1 | Very low | 43.5 | Very low | 258 Ų | 258 | 154.4 Ų | 154.4 | 97% | 0.974 | 81% | 0.81 | S | S | * | * | -149.4 | 159.3 | 114.6 | -76.4 | -140.7 | 175 | -103.1 | -16.1 | 111.6 | |||||
| 175 | R | 41.3 | Very low | 44.2 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -104.7 | 124.1 | -173.5 | -84.8 | 175.3 | -95.9 | -165.9 | -9.6 | 112 | ||||
| 176 | S | 34.4 | Very low | 45.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -163.7 | 139.3 | 150.3 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 177 | A | 37.5 | Very low | 47 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -163 | 160 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 178 | P | 53.6 | Low | 48.3 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | cis | -119.7 | 160.9 | -2.3 | 39.9 | -28.4 | 0 | 0 | 0 | 113.6 | ||||
| 179 | T | 37.9 | Very low | 50.1 | Low | 151 Ų | 151 | 126 Ų | 126 | 93% | 0.926 | 70% | 0.701 | S | S | * | * | trans | 160.7 | 152 | 142.9 | 33.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 180 | G | 38.7 | Very low | 51.9 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 98.7 | 80.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q182 | G180-Q182 VanDerWaalsContact C-N 3.34Å; G180-Q182 PolarHBondContact O-N 2.91Å | ||
| 181 | T | 42.8 | Very low | 53.6 | Low | 143 Ų | 143 | 126.4 Ų | 126.4 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | trans | -69.5 | 88.3 | 168.1 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | P183 | T181-P183 VanDerWaalsContact O-CD 3.3Å; T181-P183 WeakPolarHBondContact O-CD 3.19Å | ||
| 182 | Q | 49.3 | Very low | 54.7 | Low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | trans | -73.1 | 115.6 | 164 | -69.4 | -173.3 | -9.2 | 0 | 0 | 108.4 | G180 L184 | G180-Q182 VanDerWaalsContact C-N 3.34Å; G180-Q182 PolarHBondContact O-N 2.91Å; Q182-L184 PolarHBondContact O-N 3.35Å | ||
| 183 | P | 47.4 | Very low | 56.5 | Low | 105 Ų | 105 | 122.2 Ų | 122.2 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -69 | 128.6 | 174.6 | 28.4 | -32.8 | 0 | 0 | 0 | 109.5 | T181 G185 | T181-P183 VanDerWaalsContact O-CD 3.3Å; T181-P183 WeakPolarHBondContact O-CD 3.19Å; P183-G185 PolarHBondContact O-N 3.27Å | ||
| 184 | L | 53.7 | Low | 58.2 | Low | 165 Ų | 165 | 120 Ų | 120 | 86% | 0.864 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -72.7 | 76.4 | 171.6 | -81.6 | 121.5 | 0 | 0 | 0 | 110.5 | Q182 | Q182-L184 PolarHBondContact O-N 3.35Š|
| 185 | G | 56.9 | Low | 60.4 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 52% | 0.515 | 64% | 0.635 | S | S | . | * | S | Bend | trans | 64.4 | 104.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P183 F187 | P183-G185 PolarHBondContact O-N 3.27Å; G185-F187 PolarHBondContact O-N 3.19Å |
| 186 | E | 68.3 | Low | 62.4 | Low | 134 Ų | 134 | 105.6 Ų | 105.6 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | trans | -36.6 | 123.1 | 172.8 | -65.3 | 139.7 | -160.4 | 0 | 0 | 111.6 | I188 | E186-I188 HydrophobicContact CB-CD1 3.95Å; E186-I188 HydrophobicContact CB-CG1 3.63Å; E186-I188 PolarHBondContact O-N 3.27Å | ||
| 187 | F | 77.9 | Confident | 64.7 | Low | 63 Ų | 63 | 104.7 Ų | 104.7 | 28% | 0.276 | 59% | 0.593 | S | S | . | * | trans | -80.2 | 61 | -174.7 | -57.9 | -72.2 | 0 | 0 | 0 | 111 | G185 Y196 P199 L202 | G185-F187 PolarHBondContact O-N 3.19Å; F187-Y196 WeakPolarHBondContact CB-O 3.27Å; F187-Y196 WeakPolarHBondContact O-CB 3.1Å; F187-Y196 PolarHBondContact O-N 3.11Å; F187-P199 HydrophobicContact CD1-CB 3.82Å; F187-P199 HydrophobicContact CE1-CB 3.73Å; F187-P199 HydrophobicContact CE1-CG 4.12Å; F187-P199 HydrophobicContact CG-CB 4.42Å; F187-P199 HydrophobicContact CZ-CB 4.25Å; F187-P199 HydrophobicContact CZ-CG 4.14Å; F187-L202 HydrophobicContact CB-CB 4.11Å; F187-L202 HydrophobicContact CB-CD2 3.96Å | ||
| 188 | I | 80.6 | Confident | 67 | Low | 56 Ų | 56 | 104 Ų | 104 | 29% | 0.287 | 58% | 0.576 | S | S | . | * | trans | -77.1 | 126.3 | -175.1 | -44.2 | -165.1 | 0 | 0 | 0 | 110.3 | E186 Q190 K193 E194 E195 | E186-I188 HydrophobicContact CB-CD1 3.95Å; E186-I188 HydrophobicContact CB-CG1 3.63Å; E186-I188 PolarHBondContact O-N 3.27Å; I188-Q190 PolarHBondContact O-N 2.79Å; I188-Q190 VanDerWaalsContact O-N 3.16Å; I188-K193 HydrophobicContact CG2-CB 4.42Å; I188-E194 WeakPolarHBondContact CA-O 3.49Å; I188-E195 HydrophobicContact CD1-CG 3.92Å; I188-E195 HydrophobicContact CG1-CG 3.94Å | ||
| 189 | C | 81.9 | Confident | 68.4 | Low | 14 Ų | 14 | 102 Ų | 102 | 10% | 0.095 | 56% | 0.563 | C | S | . | * | trans | -70.3 | 112.1 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | L191 C192 K193 E194 Y196 L202 | C189-L191 PolarHBondContact O-N 3.19Å; C189-C192 WeakPolarHBondContact CB-SG 3.5Å; C189-C192 PolarHBondContact O-N 3.22Å; C189-K193 WeakPolarHBondContact O-CA 3.32Å; C189-K193 PolarHBondContact O-N 2.86Å; C189-E194 PolarHBondContact N-O 3.02Å; C189-Y196 HydrophobicContact CB-CE2 4.35Å; C189-L202 HydrophobicContact CB-CD1 3.58Å | ||
| 190 | Q | 75.3 | Confident | 70.5 | Confident | 181 Ų | 181 | 102 Ų | 102 | 85% | 0.846 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -11.4 | -176 | -62.5 | -179.8 | 0.7 | 0 | 0 | 114.9 | I188 | I188-Q190 PolarHBondContact O-N 2.79Å; I188-Q190 VanDerWaalsContact O-N 3.16Å |
| 191 | L | 72.1 | Confident | 72.5 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -46.9 | -175.2 | -60.1 | 177.1 | 0 | 0 | 0 | 113.3 | C189 R209 I210 | C189-L191 PolarHBondContact O-N 3.19Å; L191-R209 WeakPolarHBondContact O-CD 3.37Å; L191-I210 HydrophobicContact CD1-CD1 3.77Å; L191-I210 HydrophobicContact CD1-CG1 3.44Å; L191-I210 VanDerWaalsContact CD1-CG1 3.44Å |
| 192 | C | 76.1 | Confident | 74.6 | Confident | 24 Ų | 24 | 96.3 Ų | 96.3 | 16% | 0.162 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -20 | 171.8 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | C189 E194 H205 | C189-C192 WeakPolarHBondContact CB-SG 3.5Å; C189-C192 PolarHBondContact O-N 3.22Å; C192-E194 VanDerWaalsContact C-N 3.25Å; C192-E194 HydrophobicContact CB-CG 4.01Å; C192-E194 PolarHBondContact SG-OE2 3.46Å; C192-H205 PolarHBondContact SG-NE2 3.03Å; C192-H205 VanDerWaalsContact SG-NE2 3.38Å |
| 193 | K | 78.8 | Confident | 76.1 | Confident | 164 Ų | 164 | 91.8 Ų | 91.8 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | trans | 63.5 | 23.6 | -168.2 | -56.5 | -171 | 175.9 | -170.2 | 0 | 114.6 | I188 C189 | I188-K193 HydrophobicContact CG2-CB 4.42Å; C189-K193 WeakPolarHBondContact O-CA 3.32Å; C189-K193 PolarHBondContact O-N 2.86Å | ||
| 194 | E | 80.1 | Confident | 77.5 | Confident | 90 Ų | 90 | 93.2 Ų | 93.2 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | trans | -78.4 | 131.3 | 170.8 | -64.9 | 168.5 | 141.7 | 0 | 0 | 109.7 | I188 C189 C192 Y196 H205 | I188-E194 WeakPolarHBondContact CA-O 3.49Å; C189-E194 PolarHBondContact N-O 3.02Å; C192-E194 VanDerWaalsContact C-N 3.25Å; C192-E194 HydrophobicContact CB-CG 4.01Å; C192-E194 PolarHBondContact SG-OE2 3.46Å; E194-Y196 HydrophobicContact CB-CE2 3.88Å; E194-Y196 PolarHBondContact OE2-OH 3.08Å; E194-H205 IonicContact OE2-CE1 3.13Å; E194-H205 PolarHBondContact OE2-CE1 2.9Å; E194-H205 IonicContact OE2-ND1 3.96Å; E194-H205 IonicContact OE2-NE2 2.68Å | ||
| 195 | E | 84.4 | Confident | 78.9 | Confident | 142 Ų | 142 | 87.4 Ų | 87.4 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | trans | -82.6 | 135.6 | 177.3 | -64.7 | 167.6 | -153.2 | 0 | 0 | 110.2 | I188 | I188-E195 HydrophobicContact CD1-CG 3.92Å; I188-E195 HydrophobicContact CG1-CG 3.94Å | ||
| 196 | Y | 83.8 | Confident | 79.5 | Confident | 57 Ų | 57 | 94.2 Ų | 94.2 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | trans | -117.5 | 145.9 | 174.8 | -70.5 | -77.7 | 0 | 0 | 0 | 111.6 | F187 C189 E194 D198 L202 H205 | F187-Y196 WeakPolarHBondContact CB-O 3.27Å; F187-Y196 WeakPolarHBondContact O-CB 3.1Å; F187-Y196 PolarHBondContact O-N 3.11Å; C189-Y196 HydrophobicContact CB-CE2 4.35Å; E194-Y196 HydrophobicContact CB-CE2 3.88Å; E194-Y196 PolarHBondContact OE2-OH 3.08Å; Y196-D198 VanDerWaalsContact C-N 3.3Å; Y196-L202 HydrophobicContact CD2-CB 4.3Å; Y196-L202 HydrophobicContact CD2-CD1 4.03Å; Y196-L202 HydrophobicContact CG-CB 4.41Å; Y196-H205 HydrophobicContact CE2-CB 4.09Å; Y196-H205 AromaticContact CE2-CG 3.76Å; Y196-H205 AromaticContact CE2-ND1 3.72Å; Y196-H205 AromaticContact CZ-CG 3.79Å; Y196-H205 AromaticContact CZ-ND1 3.38Å; Y196-H205 PolarHBondContact OH-CE1 3.45Å; Y196-H205 VanDerWaalsContact OH-CE1 3.28Å; Y196-H205 PolarHBondContact OH-ND1 3.15Å | ||
| 197 | P | 82.7 | Confident | 79.9 | Confident | 104 Ų | 104 | 88.2 Ų | 88.2 | 68% | 0.675 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -72.6 | -24.3 | 177.3 | 29.4 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 198 | D | 84.9 | Confident | 79.3 | Confident | 82 Ų | 82 | 90 Ų | 90 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -131.5 | 148.3 | -174.2 | -61.6 | -77.3 | 0 | 0 | 0 | 112.5 | Y196 F200 S201 L202 | Y196-D198 VanDerWaalsContact C-N 3.3Å; D198-F200 PolarHBondContact O-N 3.46Å; D198-S201 PolarHBondContact O-N 2.87Å; D198-L202 PolarHBondContact O-N 2.89Å |
| 199 | P | 81.9 | Confident | 78.1 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 49% | 0.494 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -27.7 | 171.6 | 28.3 | -33.5 | 0 | 0 | 0 | 111.9 | F187 A203 | F187-P199 HydrophobicContact CD1-CB 3.82Å; F187-P199 HydrophobicContact CE1-CB 3.73Å; F187-P199 HydrophobicContact CE1-CG 4.12Å; F187-P199 HydrophobicContact CG-CB 4.42Å; F187-P199 HydrophobicContact CZ-CB 4.25Å; F187-P199 HydrophobicContact CZ-CG 4.14Å; P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 2.88Å |
| 200 | F | 82.1 | Confident | 77.2 | Confident | 150 Ų | 150 | 100.1 Ų | 100.1 | 66% | 0.658 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.3 | -40.2 | 175.5 | -168.6 | -93.5 | 0 | 0 | 0 | 111.7 | D198 L202 A203 Q204 | D198-F200 PolarHBondContact O-N 3.46Å; F200-L202 VanDerWaalsContact C-N 3.35Å; F200-A203 PolarHBondContact O-N 2.76Å; F200-A203 VanDerWaalsContact O-N 3.16Å; F200-Q204 WeakPolarHBondContact O-CB 3.42Å; F200-Q204 PolarHBondContact O-N 3Å |
| 201 | S | 82.7 | Confident | 76.1 | Confident | 42 Ų | 42 | 96.6 Ų | 96.6 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | D198 Q204 H205 | D198-S201 PolarHBondContact O-N 2.87Å; S201-Q204 PolarHBondContact O-N 3.12Å; S201-H205 WeakPolarHBondContact O-CB 3.45Å; S201-H205 PolarHBondContact O-N 3Å |
| 202 | L | 85.3 | Confident | 75.3 | Confident | 52 Ų | 52 | 102.3 Ų | 102.3 | 27% | 0.272 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 171.1 | 175.7 | 61.8 | 0 | 0 | 0 | 113 | F187 C189 Y196 D198 F200 H205 | F187-L202 HydrophobicContact CB-CB 4.11Å; F187-L202 HydrophobicContact CB-CD2 3.96Å; C189-L202 HydrophobicContact CB-CD1 3.58Å; Y196-L202 HydrophobicContact CD2-CB 4.3Å; Y196-L202 HydrophobicContact CD2-CD1 4.03Å; Y196-L202 HydrophobicContact CG-CB 4.41Å; D198-L202 PolarHBondContact O-N 2.89Å; F200-L202 VanDerWaalsContact C-N 3.35Å; L202-H205 WeakPolarHBondContact O-CB 3.41Å; L202-H205 PolarHBondContact O-N 2.81Å |
| 203 | A | 80.3 | Confident | 74.6 | Confident | 83 Ų | 83 | 105 Ų | 105 | 69% | 0.686 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72 | -29.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P199 F200 | P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 2.88Å; F200-A203 PolarHBondContact O-N 2.76Å; F200-A203 VanDerWaalsContact O-N 3.16Å |
| 204 | Q | 78.4 | Confident | 74.2 | Confident | 136 Ų | 136 | 101.6 Ų | 101.6 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -85.1 | -18.5 | 175.8 | -175 | 167.4 | -19.3 | 0 | 0 | 112.9 | F200 S201 K206 | F200-Q204 WeakPolarHBondContact O-CB 3.42Å; F200-Q204 PolarHBondContact O-N 3Å; S201-Q204 PolarHBondContact O-N 3.12Å; Q204-K206 PolarHBondContact O-N 3.19Å |
| 205 | H | 81.8 | Confident | 73.7 | Confident | 42 Ų | 42 | 101.4 Ų | 101.4 | 19% | 0.194 | 51% | 0.511 | C | S | . | . | trans | -60.8 | 127.6 | -179.6 | 165.6 | 80.9 | 0 | 0 | 0 | 112.7 | C192 E194 Y196 S201 L202 C207 | C192-H205 PolarHBondContact SG-NE2 3.03Å; C192-H205 VanDerWaalsContact SG-NE2 3.38Å; E194-H205 IonicContact OE2-CE1 3.13Å; E194-H205 PolarHBondContact OE2-CE1 2.9Å; E194-H205 IonicContact OE2-ND1 3.96Å; E194-H205 IonicContact OE2-NE2 2.68Å; Y196-H205 HydrophobicContact CE2-CB 4.09Å; Y196-H205 AromaticContact CE2-CG 3.76Å; Y196-H205 AromaticContact CE2-ND1 3.72Å; Y196-H205 AromaticContact CZ-CG 3.79Å; Y196-H205 AromaticContact CZ-ND1 3.38Å; Y196-H205 PolarHBondContact OH-CE1 3.45Å; Y196-H205 VanDerWaalsContact OH-CE1 3.28Å; Y196-H205 PolarHBondContact OH-ND1 3.15Å; S201-H205 WeakPolarHBondContact O-CB 3.45Å; S201-H205 PolarHBondContact O-N 3Å; L202-H205 WeakPolarHBondContact O-CB 3.41Å; L202-H205 PolarHBondContact O-N 2.81Å; H205-C207 WeakPolarHBondContact NE2-CA 3.33Å; H205-C207 WeakPolarHBondContact NE2-CB 3.31Å; H205-C207 PolarHBondContact NE2-N 3.21Å | ||
| 206 | K | 70.2 | Confident | 73.4 | Confident | 194 Ų | 194 | 101.5 Ų | 101.5 | 84% | 0.843 | 51% | 0.505 | S | S | * | . | trans | -104.2 | 83.8 | 178.7 | -68.1 | 170.7 | -173.6 | 165 | 0 | 109.4 | Q204 S208 | Q204-K206 PolarHBondContact O-N 3.19Å; K206-S208 PolarHBondContact O-N 3.4Å | ||
| 207 | C | 76.8 | Confident | 73.5 | Confident | 8 Ų | 8 | 98.8 Ų | 98.8 | 5% | 0.054 | 49% | 0.494 | C | S | . | . | trans | -52.6 | 122.7 | -174.9 | -176.6 | 0 | 0 | 0 | 0 | 113 | H205 R209 I210 | H205-C207 WeakPolarHBondContact NE2-CA 3.33Å; H205-C207 WeakPolarHBondContact NE2-CB 3.31Å; H205-C207 PolarHBondContact NE2-N 3.21Å; C207-R209 VanDerWaalsContact C-N 3.29Å; C207-R209 PolarHBondContact O-N 3.4Å; C207-R209 PolarHBondContact SG-N 3.05Å; C207-R209 VanDerWaalsContact SG-N 3.39Å; C207-I210 HydrophobicContact CB-CB 4.33Å; C207-I210 HydrophobicContact CB-CD1 3.86Å; C207-I210 HydrophobicContact CB-CG1 3.83Å; C207-I210 VanDerWaalsContact O-CB 3.32Å; C207-I210 WeakPolarHBondContact O-CB 3.44Å; C207-I210 PolarHBondContact O-N 3.4Å; C207-I210 VanDerWaalsContact O-N 3.1Å | ||
| 208 | S | 64.3 | Low | 73.4 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 69% | 0.692 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.5 | 174.5 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | K206 I210 | K206-S208 PolarHBondContact O-N 3.4Å; S208-I210 CarbonylContact O-C 3.45Å; S208-I210 PolarHBondContact O-N 2.85Å |
| 209 | R | 57.2 | Low | 73.2 | Confident | 191 Ų | 191 | 99.1 Ų | 99.1 | 72% | 0.721 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12.1 | 173.9 | -144.1 | -174.9 | -163.3 | 128.9 | 1.2 | 113.6 | L191 C207 V211 | L191-R209 WeakPolarHBondContact O-CD 3.37Å; C207-R209 VanDerWaalsContact C-N 3.29Å; C207-R209 PolarHBondContact O-N 3.4Å; C207-R209 PolarHBondContact SG-N 3.05Å; C207-R209 VanDerWaalsContact SG-N 3.39Å; R209-V211 PolarHBondContact O-N 3.27Å |
| 210 | I | 61.8 | Low | 73.2 | Confident | 92 Ų | 92 | 97.4 Ų | 97.4 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -73.4 | 85.8 | 150.9 | -59.2 | 169.8 | 0 | 0 | 0 | 105 | L191 C207 S208 R212 | L191-I210 HydrophobicContact CD1-CD1 3.77Å; L191-I210 HydrophobicContact CD1-CG1 3.44Å; L191-I210 VanDerWaalsContact CD1-CG1 3.44Å; C207-I210 HydrophobicContact CB-CB 4.33Å; C207-I210 HydrophobicContact CB-CD1 3.86Å; C207-I210 HydrophobicContact CB-CG1 3.83Å; C207-I210 VanDerWaalsContact O-CB 3.32Å; C207-I210 WeakPolarHBondContact O-CB 3.44Å; C207-I210 PolarHBondContact O-N 3.4Å; C207-I210 VanDerWaalsContact O-N 3.1Å; S208-I210 CarbonylContact O-C 3.45Å; S208-I210 PolarHBondContact O-N 2.85Å; I210-R212 PolarHBondContact O-N 3.12Å |
| 211 | V | 53.2 | Low | 73 | Confident | 107 Ų | 107 | 96 Ų | 96 | 65% | 0.648 | 48% | 0.482 | S | S | * | . | trans | -42.7 | 129.2 | 144.1 | 176.3 | 0 | 0 | 0 | 0 | 105.2 | R209 V213 | R209-V211 PolarHBondContact O-N 3.27Å; V211-V213 PolarHBondContact O-N 2.76Å | ||
| 212 | R | 54.2 | Low | 72.7 | Confident | 214 Ų | 214 | 99.2 Ų | 99.2 | 81% | 0.808 | 49% | 0.491 | S | S | * | . | trans | -63.3 | 87.4 | 172.1 | -74.9 | -178.3 | 178.4 | 142.6 | 0.7 | 107.3 | I210 E214 | I210-R212 PolarHBondContact O-N 3.12Å; R212-E214 PolarHBondContact O-N 3.27Å | ||
| 213 | V | 62.2 | Low | 72.5 | Confident | 79 Ų | 79 | 100 Ų | 100 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | trans | -66.7 | 91.8 | 170.7 | 176.3 | 0 | 0 | 0 | 0 | 104.2 | V211 Y215 | V211-V213 PolarHBondContact O-N 2.76Å; V213-Y215 VanDerWaalsContact C-N 3.3Å; V213-Y215 HydrophobicContact CB-CE2 4.1Å; V213-Y215 HydrophobicContact CG1-CD1 4.09Å; V213-Y215 HydrophobicContact CG1-CD2 4.45Å; V213-Y215 HydrophobicContact CG1-CE1 3.69Å; V213-Y215 HydrophobicContact CG1-CE2 4.09Å; V213-Y215 HydrophobicContact CG1-CG 4.44Å; V213-Y215 WeakPolarHBondContact O-CD2 3.35Å; V213-Y215 WeakPolarHBondContact O-CE2 3.36Å; V213-Y215 PolarHBondContact O-N 3.03Å | ||
| 214 | E | 69.1 | Low | 72.4 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | trans | -62 | 97.7 | 174.4 | -72 | -167.4 | 162.2 | 0 | 0 | 106.7 | R212 R216 V223 | R212-E214 PolarHBondContact O-N 3.27Å; E214-R216 HydrophobicContact CB-CG 4.29Å; E214-R216 VanDerWaalsContact O-CG 3.23Å; E214-R216 WeakPolarHBondContact O-CG 3.41Å; E214-R216 PolarHBondContact O-N 2.81Å; E214-R216 IonicContact OE2-CZ 3.41Å; E214-R216 IonicContact OE2-NE 3.3Å; E214-R216 PolarHBondContact OE2-NE 3.1Å; E214-R216 IonicContact OE2-NH2 2.68Å; E214-R216 PolarHBondContact OE2-NH2 3.29Å; E214-V223 HydrophobicContact CB-CB 4.48Å; E214-V223 HydrophobicContact CB-CG1 3.6Å; E214-V223 HydrophobicContact CB-CG2 4.2Å; E214-V223 HydrophobicContact CG-CG1 3.61Å | ||
| 215 | Y | 70.3 | Confident | 72.4 | Confident | 86 Ų | 86 | 96.3 Ų | 96.3 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 83 | -178.9 | -72.1 | -75.4 | 0 | 0 | 0 | 108 | V213 F224 P227 | V213-Y215 VanDerWaalsContact C-N 3.3Å; V213-Y215 HydrophobicContact CB-CE2 4.1Å; V213-Y215 HydrophobicContact CG1-CD1 4.09Å; V213-Y215 HydrophobicContact CG1-CD2 4.45Å; V213-Y215 HydrophobicContact CG1-CE1 3.69Å; V213-Y215 HydrophobicContact CG1-CE2 4.09Å; V213-Y215 HydrophobicContact CG1-CG 4.44Å; V213-Y215 WeakPolarHBondContact O-CD2 3.35Å; V213-Y215 WeakPolarHBondContact O-CE2 3.36Å; V213-Y215 PolarHBondContact O-N 3.03Å; Y215-F224 WeakPolarHBondContact CB-O 3.37Å; Y215-F224 PolarHBondContact N-O 3.12Å; Y215-F224 WeakPolarHBondContact O-CD2 3.42Å; Y215-F224 PolarHBondContact O-N 3.49Å; Y215-F224 VanDerWaalsContact O-N 3.07Å; Y215-P227 HydrophobicContact CD2-CG 4.24Å; Y215-P227 HydrophobicContact CE1-CG 4.11Å; Y215-P227 HydrophobicContact CE2-CG 3.71Å |
| 216 | R | 78.7 | Confident | 72 | Confident | 143 Ų | 143 | 97 Ų | 97 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.9 | -177.5 | -55.1 | -150.5 | 167.7 | -166.7 | -2.2 | 109.5 | E214 P218 K222 V223 | E214-R216 HydrophobicContact CB-CG 4.29Å; E214-R216 VanDerWaalsContact O-CG 3.23Å; E214-R216 WeakPolarHBondContact O-CG 3.41Å; E214-R216 PolarHBondContact O-N 2.81Å; E214-R216 IonicContact OE2-CZ 3.41Å; E214-R216 IonicContact OE2-NE 3.3Å; E214-R216 PolarHBondContact OE2-NE 3.1Å; E214-R216 IonicContact OE2-NH2 2.68Å; E214-R216 PolarHBondContact OE2-NH2 3.29Å; R216-P218 WeakPolarHBondContact O-CD 3.45Å; R216-K222 WeakPolarHBondContact CA-O 3.48Å; R216-V223 HydrophobicContact CG-CG2 4.09Å |
| 217 | C | 85.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 47% | 0.468 | C | S | . | . | trans | -77.3 | 119.4 | 172.1 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | E219 C220 D221 K222 F224 L230 H233 H237 | C217-E219 PolarHBondContact O-N 3.43Å; C217-C220 PolarHBondContact O-N 3Å; C217-D221 WeakPolarHBondContact O-CA 3.43Å; C217-D221 PolarHBondContact O-N 3.17Å; C217-K222 PolarHBondContact N-O 3.2Å; C217-F224 HydrophobicContact CB-CE2 4.37Å; C217-L230 HydrophobicContact CB-CD1 3.65Å; C217-H233 VanDerWaalsContact SG-CD2 3.6Å; C217-H237 VanDerWaalsContact SG-CD2 3.52Å; C217-H237 PolarHBondContact SG-NE2 3.36Å | ||
| 218 | P | 80.8 | Confident | 72.4 | Confident | 102 Ų | 102 | 94 Ų | 94 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.9 | -178.5 | 29 | -35.7 | 0 | 0 | 0 | 113.2 | R216 | R216-P218 WeakPolarHBondContact O-CD 3.45Š|
| 219 | E | 80.1 | Confident | 73.2 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -12.3 | -174.4 | -63.5 | 148.9 | -102.9 | 0 | 0 | 112 | C217 R234 H237 | C217-E219 PolarHBondContact O-N 3.43Å; E219-R234 IonicContact OE1-CZ 2.79Å; E219-R234 IonicContact OE1-NE 2.8Å; E219-R234 PolarHBondContact OE1-NE 3.13Å; E219-R234 IonicContact OE1-NH2 3.96Å; E219-R234 PolarHBondContact OE1-NH2 2.8Å; E219-H237 HydrophobicContact CB-CB 4.38Å; E219-H237 VanDerWaalsContact CB-CD2 3.43Å; E219-H237 WeakPolarHBondContact CB-CD2 3.46Å; E219-H237 WeakPolarHBondContact OE2-CB 3.45Å; E219-H237 IonicContact OE2-CD2 3.69Å; E219-H237 IonicContact OE2-CG 3.64Å |
| 220 | C | 82.7 | Confident | 74.4 | Confident | 40 Ų | 40 | 85.6 Ų | 85.6 | 27% | 0.27 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -165.7 | 25.6 | 174.8 | 72.8 | 0 | 0 | 0 | 0 | 116.6 | C217 K222 H233 H237 | C217-C220 PolarHBondContact O-N 3Å; C220-K222 PolarHBondContact O-N 3.03Å; C220-K222 WeakPolarHBondContact SG-CE 3.43Å; C220-K222 VanDerWaalsContact SG-CG 3.58Å; C220-H233 PolarHBondContact SG-NE2 2.79Å; C220-H237 PolarHBondContact SG-CE1 3.06Å; C220-H237 PolarHBondContact SG-NE2 3.25Å; C220-H237 VanDerWaalsContact SG-NE2 3.39Å |
| 221 | D | 77.1 | Confident | 75.4 | Confident | 122 Ų | 122 | 83.8 Ų | 83.8 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | trans | 55.2 | 10.7 | 176 | -66.7 | -49.3 | 0 | 0 | 0 | 118.1 | C217 V223 | C217-D221 WeakPolarHBondContact O-CA 3.43Å; C217-D221 PolarHBondContact O-N 3.17Å; D221-V223 PolarHBondContact O-N 3.35Å | ||
| 222 | K | 76 | Confident | 76.9 | Confident | 109 Ų | 109 | 82 Ų | 82 | 47% | 0.474 | 44% | 0.444 | S | S | . | . | trans | -69.1 | 122.7 | 178.7 | -67.3 | -175 | -148 | -34.2 | 0 | 110.2 | R216 C217 C220 F224 | R216-K222 WeakPolarHBondContact CA-O 3.48Å; C217-K222 PolarHBondContact N-O 3.2Å; C220-K222 PolarHBondContact O-N 3.03Å; C220-K222 WeakPolarHBondContact SG-CE 3.43Å; C220-K222 VanDerWaalsContact SG-CG 3.58Å; K222-F224 HydrophobicContact CB-CD2 4.47Å; K222-F224 HydrophobicContact CB-CE2 3.53Å; K222-F224 HydrophobicContact CB-CZ 3.84Å; K222-F224 HydrophobicContact CD-CZ 4.49Å; K222-F224 VanDerWaalsContact O-CD2 3.31Å; K222-F224 WeakPolarHBondContact O-CD2 3.38Å; K222-F224 WeakPolarHBondContact O-CE2 3.46Å | ||
| 223 | V | 81.8 | Confident | 78.4 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 128 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | E214 R216 D221 | E214-V223 HydrophobicContact CB-CB 4.48Å; E214-V223 HydrophobicContact CB-CG1 3.6Å; E214-V223 HydrophobicContact CB-CG2 4.2Å; E214-V223 HydrophobicContact CG-CG1 3.61Å; R216-V223 HydrophobicContact CG-CG2 4.09Å; D221-V223 PolarHBondContact O-N 3.35Å |
| 224 | F | 79.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 75.7 Ų | 75.7 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.4 | 171 | -62.2 | -87.8 | 0 | 0 | 0 | 111.2 | Y215 C217 K222 C226 N229 L230 H233 | Y215-F224 WeakPolarHBondContact CB-O 3.37Å; Y215-F224 PolarHBondContact N-O 3.12Å; Y215-F224 WeakPolarHBondContact O-CD2 3.42Å; Y215-F224 PolarHBondContact O-N 3.49Å; Y215-F224 VanDerWaalsContact O-N 3.07Å; C217-F224 HydrophobicContact CB-CE2 4.37Å; K222-F224 HydrophobicContact CB-CD2 4.47Å; K222-F224 HydrophobicContact CB-CE2 3.53Å; K222-F224 HydrophobicContact CB-CZ 3.84Å; K222-F224 HydrophobicContact CD-CZ 4.49Å; K222-F224 VanDerWaalsContact O-CD2 3.31Å; K222-F224 WeakPolarHBondContact O-CD2 3.38Å; K222-F224 WeakPolarHBondContact O-CE2 3.46Å; F224-C226 VanDerWaalsContact C-N 3.33Å; F224-N229 HydrophobicContact CB-CB 4.41Å; F224-N229 HydrophobicContact CD1-CB 3.83Å; F224-N229 HydrophobicContact CG-CB 4.41Å; F224-L230 HydrophobicContact CB-CB 4.25Å; F224-L230 HydrophobicContact CD2-CB 4.05Å; F224-L230 HydrophobicContact CD2-CD1 3.93Å; F224-L230 HydrophobicContact CE2-CD1 4.2Å; F224-L230 HydrophobicContact CG-CB 4.27Å; F224-H233 HydrophobicContact CE1-CB 4.12Å; F224-H233 HydrophobicContact CE2-CB 3.99Å; F224-H233 AromaticContact CE2-CD2 3.21Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.36Å; F224-H233 AromaticContact CE2-CG 3.72Å; F224-H233 HydrophobicContact CZ-CB 3.57Å; F224-H233 AromaticContact CZ-CD2 3.33Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.4Å; F224-H233 AromaticContact CZ-CG 3.37Å |
| 225 | S | 77.3 | Confident | 80.2 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 69% | 0.692 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -82.9 | -7.8 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 226 | C | 74.6 | Confident | 80.6 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -140.8 | 134.9 | -174.9 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | F224 A228 N229 L230 | F224-C226 VanDerWaalsContact C-N 3.33Å; C226-A228 VanDerWaalsContact C-N 3.32Å; C226-A228 PolarHBondContact O-N 3.05Å; C226-N229 HydrophobicContact CB-CB 4.49Å; C226-N229 PolarHBondContact O-N 3.16Å; C226-N229 VanDerWaalsContact O-N 3.13Å; C226-L230 PolarHBondContact O-N 3.36Å |
| 227 | P | 78.3 | Confident | 80.7 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.6 | -40.2 | 178.7 | -26.9 | 33.9 | 0 | 0 | 0 | 114.1 | Y215 N229 L230 A231 | Y215-P227 HydrophobicContact CD2-CG 4.24Å; Y215-P227 HydrophobicContact CE1-CG 4.11Å; Y215-P227 HydrophobicContact CE2-CG 3.71Å; P227-N229 PolarHBondContact O-N 2.84Å; P227-L230 PolarHBondContact O-N 3.31Å; P227-A231 WeakPolarHBondContact O-CB 3.36Å; P227-A231 PolarHBondContact O-N 2.6Å |
| 228 | A | 76.1 | Confident | 80.4 | Confident | 64 Ų | 64 | 91.8 Ų | 91.8 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -33.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C226 S232 | C226-A228 VanDerWaalsContact C-N 3.32Å; C226-A228 PolarHBondContact O-N 3.05Å; A228-S232 WeakPolarHBondContact O-CB 3.44Å; A228-S232 PolarHBondContact O-N 2.98Å; A228-S232 PolarHBondContact O-OG 3.06Å |
| 229 | N | 80.8 | Confident | 79.7 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74 | -40.2 | 177.8 | -66.3 | -10.6 | 0 | 0 | 0 | 111.1 | F224 C226 P227 S232 H233 | F224-N229 HydrophobicContact CB-CB 4.41Å; F224-N229 HydrophobicContact CD1-CB 3.83Å; F224-N229 HydrophobicContact CG-CB 4.41Å; C226-N229 HydrophobicContact CB-CB 4.49Å; C226-N229 PolarHBondContact O-N 3.16Å; C226-N229 VanDerWaalsContact O-N 3.13Å; P227-N229 PolarHBondContact O-N 2.84Å; N229-S232 PolarHBondContact O-N 3.22Å; N229-H233 VanDerWaalsContact O-CB 3.28Å; N229-H233 WeakPolarHBondContact O-CB 3.26Å; N229-H233 PolarHBondContact O-N 3.47Å |
| 230 | L | 83.8 | Confident | 78.2 | Confident | 25 Ų | 25 | 98.8 Ų | 98.8 | 13% | 0.131 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 170.7 | 174.5 | 62.1 | 0 | 0 | 0 | 111.2 | C217 F224 C226 P227 S232 H233 R234 | C217-L230 HydrophobicContact CB-CD1 3.65Å; F224-L230 HydrophobicContact CB-CB 4.25Å; F224-L230 HydrophobicContact CD2-CB 4.05Å; F224-L230 HydrophobicContact CD2-CD1 3.93Å; F224-L230 HydrophobicContact CE2-CD1 4.2Å; F224-L230 HydrophobicContact CG-CB 4.27Å; C226-L230 PolarHBondContact O-N 3.36Å; P227-L230 PolarHBondContact O-N 3.31Å; L230-S232 VanDerWaalsContact C-N 3.27Å; L230-S232 PolarHBondContact O-N 3.14Å; L230-H233 PolarHBondContact O-N 3.33Å; L230-H233 VanDerWaalsContact O-N 3.13Å; L230-R234 HydrophobicContact CD1-CG 3.89Å; L230-R234 HydrophobicContact CG-CG 4.32Å; L230-R234 WeakPolarHBondContact O-CG 3.41Å; L230-R234 PolarHBondContact O-N 3.45Å |
| 231 | A | 81.4 | Confident | 76.7 | Confident | 54 Ų | 54 | 102.2 Ų | 102.2 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -34.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P227 | P227-A231 WeakPolarHBondContact O-CB 3.36Å; P227-A231 PolarHBondContact O-N 2.6Å |
| 232 | S | 84.1 | Confident | 75.2 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | A228 N229 L230 R235 | A228-S232 WeakPolarHBondContact O-CB 3.44Å; A228-S232 PolarHBondContact O-N 2.98Å; A228-S232 PolarHBondContact O-OG 3.06Å; N229-S232 PolarHBondContact O-N 3.22Å; L230-S232 VanDerWaalsContact C-N 3.27Å; L230-S232 PolarHBondContact O-N 3.14Å; S232-R235 PolarHBondContact O-N 3.39Å |
| 233 | H | 86 | Confident | 73.7 | Confident | 28 Ų | 28 | 102.6 Ų | 102.6 | 13% | 0.13 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 177.2 | 173.6 | 49.7 | 0 | 0 | 0 | 113.1 | C217 C220 F224 N229 L230 R235 W236 H237 | C217-H233 VanDerWaalsContact SG-CD2 3.6Å; C220-H233 PolarHBondContact SG-NE2 2.79Å; F224-H233 HydrophobicContact CE1-CB 4.12Å; F224-H233 HydrophobicContact CE2-CB 3.99Å; F224-H233 AromaticContact CE2-CD2 3.21Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.36Å; F224-H233 AromaticContact CE2-CG 3.72Å; F224-H233 HydrophobicContact CZ-CB 3.57Å; F224-H233 AromaticContact CZ-CD2 3.33Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.4Å; F224-H233 AromaticContact CZ-CG 3.37Å; N229-H233 VanDerWaalsContact O-CB 3.28Å; N229-H233 WeakPolarHBondContact O-CB 3.26Å; N229-H233 PolarHBondContact O-N 3.47Å; L230-H233 PolarHBondContact O-N 3.33Å; L230-H233 VanDerWaalsContact O-N 3.13Å; H233-R235 PolarHBondContact O-N 3.29Å; H233-R235 VanDerWaalsContact O-N 3.16Å; H233-W236 WeakPolarHBondContact O-CB 3.44Å; H233-W236 PolarHBondContact O-N 3.3Å; H233-H237 AromaticContact CD2-NE2 3.88Å; H233-H237 AromaticContact CE1-CE1 3.6Å; H233-H237 AromaticContact CE1-NE2 3.33Å; H233-H237 PolarHBondContact CE1-NE2 3.43Å; H233-H237 VanDerWaalsContact CE1-NE2 3.33Å; H233-H237 AromaticContact NE2-CE1 3.73Å; H233-H237 AromaticContact NE2-NE2 3.08Å; H233-H237 PolarHBondContact NE2-NE2 3.28Å |
| 234 | R | 84.3 | Confident | 71.9 | Confident | 131 Ų | 131 | 106.4 Ų | 106.4 | 49% | 0.494 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.2 | -24.6 | 177.6 | -70.1 | -177.5 | 73.2 | -154 | -1.7 | 113.3 | E219 L230 W236 H237 | E219-R234 IonicContact OE1-CZ 2.79Å; E219-R234 IonicContact OE1-NE 2.8Å; E219-R234 PolarHBondContact OE1-NE 3.13Å; E219-R234 IonicContact OE1-NH2 3.96Å; E219-R234 PolarHBondContact OE1-NH2 2.8Å; L230-R234 HydrophobicContact CD1-CG 3.89Å; L230-R234 HydrophobicContact CG-CG 4.32Å; L230-R234 WeakPolarHBondContact O-CG 3.41Å; L230-R234 PolarHBondContact O-N 3.45Å; R234-W236 PolarHBondContact O-N 2.86Å; R234-H237 PolarHBondContact O-N 3.23Å |
| 235 | R | 85.8 | Confident | 70.2 | Confident | 204 Ų | 204 | 112 Ų | 112 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -18.9 | 172.8 | -62.6 | 174.8 | -173.9 | -129.2 | 1.3 | 113.4 | S232 H233 | S232-R235 PolarHBondContact O-N 3.39Å; H233-R235 PolarHBondContact O-N 3.29Å; H233-R235 VanDerWaalsContact O-N 3.16Å |
| 236 | W | 78.9 | Confident | 68.2 | Low | 220 Ų | 220 | 110.5 Ų | 110.5 | 83% | 0.833 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -21.4 | 175.9 | -83 | 73.9 | 0 | 0 | 0 | 113.9 | H233 R234 | H233-W236 WeakPolarHBondContact O-CB 3.44Å; H233-W236 PolarHBondContact O-N 3.3Å; R234-W236 PolarHBondContact O-N 2.86Å |
| 237 | H | 81.2 | Confident | 66.4 | Low | 60 Ų | 60 | 115.9 Ų | 115.9 | 28% | 0.278 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -17.1 | 179.7 | -66.4 | -47.9 | 0 | 0 | 0 | 113.8 | C217 E219 C220 H233 R234 P239 | C217-H237 VanDerWaalsContact SG-CD2 3.52Å; C217-H237 PolarHBondContact SG-NE2 3.36Å; E219-H237 HydrophobicContact CB-CB 4.38Å; E219-H237 VanDerWaalsContact CB-CD2 3.43Å; E219-H237 WeakPolarHBondContact CB-CD2 3.46Å; E219-H237 WeakPolarHBondContact OE2-CB 3.45Å; E219-H237 IonicContact OE2-CD2 3.69Å; E219-H237 IonicContact OE2-CG 3.64Å; C220-H237 PolarHBondContact SG-CE1 3.06Å; C220-H237 PolarHBondContact SG-NE2 3.25Å; C220-H237 VanDerWaalsContact SG-NE2 3.39Å; H233-H237 AromaticContact CD2-NE2 3.88Å; H233-H237 AromaticContact CE1-CE1 3.6Å; H233-H237 AromaticContact CE1-NE2 3.33Å; H233-H237 PolarHBondContact CE1-NE2 3.43Å; H233-H237 VanDerWaalsContact CE1-NE2 3.33Å; H233-H237 AromaticContact NE2-CE1 3.73Å; H233-H237 AromaticContact NE2-NE2 3.08Å; H233-H237 PolarHBondContact NE2-NE2 3.28Å; R234-H237 PolarHBondContact O-N 3.23Å; H237-P239 WeakPolarHBondContact O-CD 3.4Å |
| 238 | K | 78.5 | Confident | 64.6 | Low | 178 Ų | 178 | 121.5 Ų | 121.5 | 77% | 0.774 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -95.1 | 91.9 | 170.9 | -166.8 | 165.3 | -167.7 | 172.9 | 0 | 108.8 | R240 | K238-R240 PolarHBondContact O-N 3.07Š|
| 239 | P | 65.3 | Low | 62.4 | Low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.9 | 175.4 | 24.4 | -34.2 | 0 | 0 | 0 | 109.1 | H237 P241 | H237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-P241 WeakPolarHBondContact O-CD 3.29Å |
| 240 | R | 50.1 | Low | 60.2 | Low | 229 Ų | 229 | 127.5 Ų | 127.5 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124 | 177.4 | -177.2 | -175.6 | -177.8 | -147.2 | 1.3 | 107.8 | K238 V242 | K238-R240 PolarHBondContact O-N 3.07Å; R240-V242 PolarHBondContact O-N 3.45Å |
| 241 | P | 49.9 | Very low | 57.7 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 124.9 | 171.6 | 25.4 | -32.7 | 0 | 0 | 0 | 108.7 | P239 N243 | P239-P241 WeakPolarHBondContact O-CD 3.29Å; P241-N243 PolarHBondContact O-N 2.95Å; P241-N243 VanDerWaalsContact O-N 3.14Å |
| 242 | V | 46.6 | Very low | 55.4 | Low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -73.6 | 101.2 | 174.6 | -83.5 | 0 | 0 | 0 | 0 | 108.7 | R240 N244 | R240-V242 PolarHBondContact O-N 3.45Å; V242-N244 VanDerWaalsContact C-N 3.29Å; V242-N244 PolarHBondContact O-N 3.06Å | ||
| 243 | N | 43.4 | Very low | 53.2 | Low | 117 Ų | 117 | 143.5 Ų | 143.5 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | trans | -74.8 | 83.9 | 175.5 | -173.9 | 77.7 | 0 | 0 | 0 | 109.5 | P241 Q245 | P241-N243 PolarHBondContact O-N 2.95Å; P241-N243 VanDerWaalsContact O-N 3.14Å; N243-Q245 PolarHBondContact ND2-OE1 2.74Å; N243-Q245 PolarHBondContact O-N 3.25Å | ||
| 244 | N | 44.8 | Very low | 50.6 | Low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 87.7 | 178.7 | -75.4 | 1.6 | 0 | 0 | 0 | 110.6 | V242 | V242-N244 VanDerWaalsContact C-N 3.29Å; V242-N244 PolarHBondContact O-N 3.06Å | ||
| 245 | Q | 42.7 | Very low | 48.6 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -136.2 | 126.6 | 165.8 | -66.3 | 167.6 | -20.1 | 0 | 0 | 106.2 | N243 | N243-Q245 PolarHBondContact ND2-OE1 2.74Å; N243-Q245 PolarHBondContact O-N 3.25Å | ||
| 246 | G | 35.7 | Very low | 46.3 | Very low | 69 Ų | 69 | 146.4 Ų | 146.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 155.6 | 114.9 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 247 | I | 37.8 | Very low | 44.3 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -123.7 | 93.5 | 173.2 | -61.5 | -176.6 | 0 | 0 | 0 | 108.6 | ||||
| 248 | E | 38.5 | Very low | 42 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 34.2 | 129.3 | 143.8 | -52 | -168.7 | 151.8 | 0 | 0 | 121.6 | ||||
| 249 | G | 31.3 | Very low | 39.7 | Very low | 80 Ų | 80 | 147.7 Ų | 147.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -164.5 | 128.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | H | 34.4 | Very low | 38.3 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -94.8 | 163.8 | -164.3 | -126.9 | -105 | 0 | 0 | 0 | 114.5 | ||||
| 251 | A | 31.1 | Very low | 37.5 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | 71.8 | 135 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 252 | N | 32.4 | Very low | 36.5 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | cis | -141.9 | 171.7 | 28.7 | -142.3 | -30.2 | 0 | 0 | 0 | 114.2 | ||||
| 253 | R | 37.8 | Very low | 35.6 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -101.2 | 121.4 | -174.4 | -123.7 | -177.1 | 170.2 | 169.5 | -5.1 | 112.1 | ||||
| 254 | T | 31 | Very low | 35.2 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -156.7 | 117.5 | 148.5 | 6.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 255 | Q | 43.7 | Very low | 34.5 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -99.6 | 162.1 | 153.1 | -74 | -174.9 | -15.2 | 0 | 0 | 107.9 | ||||
| 256 | P | 36.6 | Very low | 34 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | -115.8 | 142.5 | 110 | -11.5 | 29.6 | 0 | 0 | 0 | 113.6 | |||||
| 257 | L | 36.5 | Very low | 33.6 | Very low | 144 Ų | 144 | 154.1 Ų | 154.1 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 156 | 159.6 | -75.3 | 159.5 | 0 | 0 | 0 | 110.2 | ||||
| 258 | K | 33.9 | Very low | 33.1 | Very low | 176 Ų | 176 | 155.1 Ų | 155.1 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 172.5 | 143.9 | 144.7 | -96.5 | -167.5 | 177.4 | -164.9 | 0 | 109.3 | ||||
| 259 | E | 29.2 | Very low | 32.7 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | cis | -160.2 | 154.8 | -22 | -130.1 | 158.8 | -170.1 | 0 | 0 | 106.3 | ||||
| 260 | A | 37.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 153.9 Ų | 153.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -107.5 | 147 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 261 | R | 33 | Very low | 33.5 | Very low | 228 Ų | 228 | 150.5 Ų | 150.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -164.1 | 139.8 | 168.9 | -84 | -151.5 | 159 | 127.6 | 2.3 | 109.2 | ||||
| 262 | D | 27.7 | Very low | 33.6 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -143.3 | 145.7 | -14.3 | -66.6 | -55.5 | 0 | 0 | 0 | 106.2 | ||||
| 263 | F | 27.9 | Very low | 34 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | 39.9 | 120.1 | 85.2 | -110.6 | -116.6 | 0 | 0 | 0 | 113.6 | |||||
| 264 | V | 35.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | cis | -161.3 | 128.4 | 48.7 | 152.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 265 | T | 29.8 | Very low | 34 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | 78.1 | 128 | 59.1 | 65.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 266 | H | 31.6 | Very low | 34.1 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 73% | 0.731 | 76% | 0.763 | S | S | * | * | trans | 73.6 | 150.8 | 173.8 | -69.5 | -84.2 | 0 | 0 | 0 | 116.9 | ||||
| 267 | E | 27.6 | Very low | 34.2 | Very low | 195 Ų | 195 | 151 Ų | 151 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | cis | -112.3 | -168.3 | 19.3 | -58.9 | -153.5 | 83.3 | 0 | 0 | 116.9 | ||||
| 268 | R | 28.6 | Very low | 34.5 | Very low | 191 Ų | 191 | 150 Ų | 150 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -144.7 | 137.9 | -164.8 | -90.1 | -176.5 | 171 | -143.7 | 16.4 | 114.6 | ||||
| 269 | Q | 29.5 | Very low | 34.9 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 61.7 | 176.9 | 136.4 | -64.2 | -177.6 | -63.6 | 0 | 0 | 117.9 | ||||
| 270 | P | 48.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -108.1 | -177.3 | -8.9 | 16.1 | 9.7 | 0 | 0 | 0 | 112.4 | ||||
| 271 | V | 33.9 | Very low | 36.2 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | cis | -148.3 | 124.8 | 42.1 | -77.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 272 | D | 33.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | 36.3 | 142.3 | 108 | -55.4 | -24.7 | 0 | 0 | 0 | 120.3 | |||||
| 273 | L | 40 | Very low | 37.6 | Very low | 145 Ų | 145 | 152 Ų | 152 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | cis | -164.1 | 176.4 | 3 | -120.5 | 173 | 0 | 0 | 0 | 113.1 | ||||
| 274 | E | 35.9 | Very low | 38.4 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | 69.5 | 148.1 | 165.7 | -66.4 | 174.4 | 125.2 | 0 | 0 | 119.2 | ||||
| 275 | G | 33.4 | Very low | 38.6 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | cis | -150.7 | -176.2 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 276 | K | 45.4 | Very low | 39.5 | Very low | 215 Ų | 215 | 154.4 Ų | 154.4 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | -120 | 109.8 | -167.1 | -63.3 | 167.3 | -177.9 | 165.8 | 0 | 114.4 | ||||
| 277 | E | 39.2 | Very low | 39.7 | Very low | 181 Ų | 181 | 155.7 Ų | 155.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -162.6 | 122.3 | 161.6 | 50.9 | -178.3 | 143.4 | 0 | 0 | 115 | ||||
| 278 | N | 41.6 | Very low | 40.1 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | trans | 174.2 | 4.7 | 136.8 | -106.8 | -87.4 | 0 | 0 | 0 | 116 | L280 | N278-L280 PolarHBondContact O-N 3.19Š| ||
| 279 | E | 42 | Very low | 40.4 | Very low | 201 Ų | 201 | 152.4 Ų | 152.4 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 22.8 | -175.3 | -162.5 | 137 | -142.5 | 0 | 0 | 115.3 | ||
| 280 | L | 46.3 | Very low | 40.5 | Very low | 158 Ų | 158 | 151.7 Ų | 151.7 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -4.4 | -179.2 | -90.7 | 167 | 0 | 0 | 0 | 115.6 | N278 | N278-L280 PolarHBondContact O-N 3.19Š|
| 281 | L | 48.3 | Very low | 39.8 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 13 | -177 | -84.8 | 167.5 | 0 | 0 | 0 | 115.5 | ||
| 282 | R | 46.5 | Very low | 39.8 | Very low | 247 Ų | 247 | 150.3 Ų | 150.3 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 4.9 | 178.5 | -68.4 | -168.2 | 176.9 | -162.3 | 2.2 | 115.4 | ||
| 283 | A | 44.3 | Very low | 40 | Very low | 84 Ų | 84 | 156.1 Ų | 156.1 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -104.2 | 4.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 284 | H | 44.5 | Very low | 39.7 | Very low | 178 Ų | 178 | 154.9 Ų | 154.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -138 | 56.8 | -166.3 | -156.5 | -71.9 | 0 | 0 | 0 | 116.3 | ||
| 285 | T | 40.8 | Very low | 39.7 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -141 | 5.5 | 166.2 | 57.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 286 | N | 46.9 | Very low | 39.8 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -139.1 | 70.3 | -177.7 | -79.5 | -80.4 | 0 | 0 | 0 | 112.6 | ||
| 287 | Q | 36.5 | Very low | 39.2 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 175.6 | 145.9 | 166.7 | -97.8 | 145.3 | 96.5 | 0 | 0 | 106.3 | ||||
| 288 | H | 35.3 | Very low | 38.9 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 68% | 0.676 | 78% | 0.776 | S | S | * | * | cis | -155.2 | 134.8 | -22 | -164.2 | -102.8 | 0 | 0 | 0 | 105.8 | D290 | H288-D290 VanDerWaalsContact CE1-CB 3.43Å; H288-D290 WeakPolarHBondContact CE1-CB 3.19Å | ||
| 289 | L | 36.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -135.8 | 56.9 | 172.5 | -79.4 | -177.8 | 0 | 0 | 0 | 110.6 | ||||
| 290 | D | 31 | Very low | 37.6 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | -84.4 | 138 | 146.1 | -165.4 | -12.8 | 0 | 0 | 0 | 107.7 | H288 | H288-D290 VanDerWaalsContact CE1-CB 3.43Å; H288-D290 WeakPolarHBondContact CE1-CB 3.19Å | ||
| 291 | S | 32.8 | Very low | 36.8 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -139.9 | 101.2 | -174.1 | -82.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 292 | S | 34.4 | Very low | 35.8 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -157.6 | 129.8 | 165.6 | -89 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 293 | R | 38.1 | Very low | 34.8 | Very low | 242 Ų | 242 | 147.2 Ų | 147.2 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | 70.6 | 152.7 | 178.3 | -56.7 | 177.1 | 153.5 | 145.7 | -5.9 | 113.1 | ||||
| 294 | V | 35 | Very low | 34.1 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | cis | -144.6 | 116.9 | 33.8 | 171 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 295 | L | 34.5 | Very low | 34.6 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 64.4 | 168.5 | 150.6 | -52.1 | 172.5 | 0 | 0 | 0 | 118.4 | ||||
| 296 | L | 34.8 | Very low | 33.8 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | cis | -155.9 | 152.4 | 9.8 | -163.4 | 52.3 | 0 | 0 | 0 | 115.1 | ||||
| 297 | L | 34.4 | Very low | 33 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | trans | 79.7 | 146.4 | 147.8 | -100.1 | 168.3 | 0 | 0 | 0 | 124.7 | ||||
| 298 | H | 31.6 | Very low | 32.7 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | 70.2 | 128.7 | 175.2 | -49.1 | 103.3 | 0 | 0 | 0 | 117.2 | ||||
| 299 | G | 26.5 | Very low | 32.4 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | cis | -160.8 | 175.9 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 300 | R | 31 | Very low | 32 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | -68.2 | 160.8 | 175.3 | -68.4 | 174.5 | 169.4 | 152.7 | -5.4 | 110.2 | ||||
| 301 | T | 28.2 | Very low | 31.9 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | -176.3 | 152.9 | 64 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 302 | R | 28.3 | Very low | 31.6 | Very low | 218 Ų | 218 | 142.5 Ų | 142.5 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | 66.8 | 154.9 | 152 | -68.4 | 179.8 | 152.3 | 144.1 | -3.4 | 118.5 | ||||
| 303 | D | 25.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | -152.5 | 173.2 | -20.7 | -97.6 | -22 | 0 | 0 | 0 | 108.7 | ||||
| 304 | T | 29.2 | Very low | 31.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -110 | -173.5 | -176.8 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 305 | P | 55.6 | Low | 31.5 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -129.9 | -141.3 | -24.2 | 33.2 | -10.4 | 0 | 0 | 0 | 111.2 | ||||
| 306 | D | 24.3 | Very low | 31.4 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | 92.8 | 134 | 151.9 | -143 | 65.7 | 0 | 0 | 0 | 118.1 | ||||
| 307 | S | 29.1 | Very low | 31.5 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | cis | -163.2 | 174.4 | -24.1 | -106.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 308 | S | 30.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 63 | 107.6 | 164.7 | -57.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 309 | S | 28.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | 55.7 | 124.5 | 54.8 | -147.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 310 | T | 28.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | -151.8 | 157.4 | 54.1 | 42.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 311 | H | 29.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 64% | 0.644 | 74% | 0.743 | S | S | * | * | trans | 24.8 | 125.8 | 143.9 | -64.8 | -96.8 | 0 | 0 | 0 | 119.5 | ||||
| 312 | Y | 25.6 | Very low | 33.4 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | cis | -146.4 | 179.6 | 17.3 | -70.7 | -81.4 | 0 | 0 | 0 | 109.5 | ||||
| 313 | R | 30.5 | Very low | 33.8 | Very low | 234 Ų | 234 | 141 Ų | 141 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | cis | -153.6 | 161.7 | 10.1 | -149.6 | 179.7 | -167.9 | 178.3 | 4.6 | 110.5 | ||||
| 314 | N | 33 | Very low | 34.3 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | -147.3 | 177.3 | 162.4 | -142.7 | 9.8 | 0 | 0 | 0 | 107.3 | D316 | N314-D316 PolarHBondContact ND2-OD2 3.31Å; N314-D316 PolarHBondContact OD1-N 3.03Å | ||
| 315 | P | 41.9 | Very low | 34.4 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -109.2 | 167 | 29 | 43.5 | -34.5 | 0 | 0 | 0 | 113.1 | ||||
| 316 | D | 31.8 | Very low | 33.3 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 54% | 0.54 | 76% | 0.763 | S | S | . | * | cis | 58.8 | 147.7 | 49.5 | -98.1 | -61.5 | 0 | 0 | 0 | 113.4 | N314 Q318 | N314-D316 PolarHBondContact ND2-OD2 3.31Å; N314-D316 PolarHBondContact OD1-N 3.03Å; D316-Q318 PolarHBondContact OD1-N 3.33Å | ||
| 317 | L | 37.9 | Very low | 34 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -130.7 | 138.4 | 36.7 | -76.8 | 159.5 | 0 | 0 | 0 | 115 | ||||
| 318 | Q | 45.8 | Very low | 34.9 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 130.4 | 142.5 | -64.3 | -176.3 | 22.7 | 0 | 0 | 109.8 | D316 H320 | D316-Q318 PolarHBondContact OD1-N 3.33Å; Q318-H320 PolarHBondContact O-N 2.81Å |
| 319 | P | 41.5 | Very low | 36 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 118.6 | 164.4 | -19.6 | 34 | 0 | 0 | 0 | 110.5 | ||
| 320 | H | 34.5 | Very low | 37.5 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 153 | 176.8 | -82.2 | -105.3 | 0 | 0 | 0 | 113.1 | Q318 | Q318-H320 PolarHBondContact O-N 2.81Š|
| 321 | V | 35.9 | Very low | 39.4 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136.1 | 161 | -72.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 322 | R | 32.8 | Very low | 41.8 | Very low | 250 Ų | 250 | 143.5 Ų | 143.5 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | trans | -130.6 | 132.3 | 154.5 | -86.5 | -170.3 | 165 | 127.3 | -1.4 | 108.3 | ||||
| 323 | A | 38.2 | Very low | 44.7 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -103 | 114.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 324 | A | 34.4 | Very low | 47.3 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | -162.3 | 118.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 325 | D | 31.4 | Very low | 49.9 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 84% | 0.84 | 69% | 0.686 | S | S | * | * | trans | 24 | 105.1 | 159.1 | -52.5 | -44.7 | 0 | 0 | 0 | 120.1 | ||||
| 326 | S | 33.3 | Very low | 51.8 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | 172.1 | 139 | 106.4 | -77.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 327 | L | 38.5 | Very low | 53.8 | Low | 164 Ų | 164 | 134.7 Ų | 134.7 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | 54.1 | 103.1 | 155.7 | -59.8 | 177.8 | 0 | 0 | 0 | 119.2 | E329 | L327-E329 PolarHBondContact O-N 3.22Š| ||
| 328 | A | 47.7 | Very low | 55.8 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 90% | 0.901 | 68% | 0.681 | S | S | * | * | trans | -46.9 | 110.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 329 | E | 53.9 | Low | 57.1 | Low | 190 Ų | 190 | 125 Ų | 125 | 89% | 0.888 | 67% | 0.672 | S | S | * | * | trans | -80.3 | 131.4 | 154 | -61.6 | -164.5 | 139.8 | 0 | 0 | 109.8 | L327 E331 | L327-E329 PolarHBondContact O-N 3.22Å; E329-E331 PolarHBondContact O-N 3.44Å | ||
| 330 | E | 60.5 | Low | 59 | Low | 100 Ų | 100 | 124.7 Ų | 124.7 | 47% | 0.467 | 66% | 0.657 | S | S | . | * | trans | -70.2 | 124.8 | 172.8 | -77.3 | -170 | 98.4 | 0 | 0 | 110.7 | L332 R343 | E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 HydrophobicContact CB-CG 4.17Å; E330-L332 WeakPolarHBondContact O-CG 3.4Å; E330-L332 PolarHBondContact O-N 3.02Å; E330-R343 VanDerWaalsContact OE1-CD 3.24Å; E330-R343 WeakPolarHBondContact OE1-CD 3.29Å; E330-R343 WeakPolarHBondContact OE1-CG 3.15Å; E330-R343 IonicContact OE1-CZ 2.89Å; E330-R343 IonicContact OE1-NE 3.53Å; E330-R343 PolarHBondContact OE1-NE 3.01Å; E330-R343 IonicContact OE1-NH2 3.47Å; E330-R343 IonicContact OE2-CZ 3.51Å; E330-R343 IonicContact OE2-NE 3.16Å; E330-R343 PolarHBondContact OE2-NE 2.87Å; E330-R343 IonicContact OE2-NH2 3.64Å; E330-R343 PolarHBondContact OE2-NH2 2.89Å | ||
| 331 | E | 68.2 | Low | 61.3 | Low | 138 Ų | 138 | 122.9 Ų | 122.9 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | trans | -65.7 | 86.3 | 174.9 | -163.6 | -167.2 | 149 | 0 | 0 | 111 | E329 Y333 | E329-E331 PolarHBondContact O-N 3.44Å; E331-Y333 HydrophobicContact CG-CE1 4.36Å; E331-Y333 WeakPolarHBondContact O-CD2 3.29Å; E331-Y333 WeakPolarHBondContact O-CE2 3.4Å; E331-Y333 PolarHBondContact O-N 3.39Å; E331-Y333 WeakPolarHBondContact OE1-CE1 3.06Å; E331-Y333 PolarHBondContact OE1-OH 3.47Å; E331-Y333 PolarHBondContact OE2-OH 3.25Å | ||
| 332 | L | 81 | Confident | 63.7 | Low | 77 Ų | 77 | 118.3 Ų | 118.3 | 40% | 0.403 | 62% | 0.615 | S | S | . | * | trans | -89.9 | 95.4 | -171.4 | -81.2 | 165.7 | 0 | 0 | 0 | 111.9 | E330 E334 K341 R343 | E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 HydrophobicContact CB-CG 4.17Å; E330-L332 WeakPolarHBondContact O-CG 3.4Å; E330-L332 PolarHBondContact O-N 3.02Å; L332-E334 PolarHBondContact O-N 3.14Å; L332-K341 HydrophobicContact CB-CB 4.35Å; L332-K341 HydrophobicContact CB-CD 4.49Å; L332-K341 HydrophobicContact CD2-CB 4.41Å; L332-R343 HydrophobicContact CD2-CB 4.47Å; L332-R343 HydrophobicContact CD2-CG 3.77Å | ||
| 333 | Y | 85.2 | Confident | 66.2 | Low | 63 Ų | 63 | 114.5 Ų | 114.5 | 25% | 0.247 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.9 | 116 | 177.6 | -57.4 | -77 | 0 | 0 | 0 | 112.4 | E331 F342 Q345 | E331-Y333 HydrophobicContact CG-CE1 4.36Å; E331-Y333 WeakPolarHBondContact O-CD2 3.29Å; E331-Y333 WeakPolarHBondContact O-CE2 3.4Å; E331-Y333 PolarHBondContact O-N 3.39Å; E331-Y333 WeakPolarHBondContact OE1-CE1 3.06Å; E331-Y333 PolarHBondContact OE1-OH 3.47Å; E331-Y333 PolarHBondContact OE2-OH 3.25Å; Y333-F342 PolarHBondContact N-O 3.31Å; Y333-F342 PolarHBondContact O-N 2.88Å; Y333-Q345 HydrophobicContact CD1-CB 4.16Å; Y333-Q345 HydrophobicContact CD1-CG 4.45Å; Y333-Q345 HydrophobicContact CD2-CB 3.89Å; Y333-Q345 HydrophobicContact CE1-CB 4.14Å; Y333-Q345 HydrophobicContact CE2-CB 3.82Å; Y333-Q345 HydrophobicContact CG-CB 4.03Å |
| 334 | E | 85.2 | Confident | 68.4 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 145.2 | -176.3 | 61.8 | 173.3 | -146 | 0 | 0 | 115.2 | L332 R336 K340 K341 L348 | L332-E334 PolarHBondContact O-N 3.14Å; E334-R336 PolarHBondContact O-N 2.86Å; E334-K340 CarbonylContact C-O 3.44Å; E334-K340 WeakPolarHBondContact CA-O 3.42Å; E334-K341 HydrophobicContact CB-CG 4.13Å; E334-L348 WeakPolarHBondContact O-CD2 3.39Å |
| 335 | C | 88.3 | Confident | 70.9 | Confident | 2 Ų | 2 | 116 Ų | 116 | 1% | 0.014 | 57% | 0.567 | C | S | . | * | trans | -83 | 107.3 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | Y337 C338 G339 K340 F342 L348 H351 | C335-Y337 PolarHBondContact O-N 3.19Å; C335-C338 PolarHBondContact O-N 3.39Å; C335-G339 PolarHBondContact O-N 2.87Å; C335-K340 HydrophobicContact CB-CB 4.3Å; C335-K340 PolarHBondContact N-O 3.29Å; C335-F342 HydrophobicContact CB-CE2 4.29Å; C335-L348 HydrophobicContact CB-CD1 3.58Å; C335-H351 VanDerWaalsContact SG-CD2 3.53Å; C335-H351 PolarHBondContact SG-NE2 2.93Å | ||
| 336 | R | 82.4 | Confident | 73.6 | Confident | 236 Ų | 236 | 111.6 Ų | 111.6 | 89% | 0.891 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -18.9 | 175.6 | -55.7 | 177.7 | -170.8 | 140.8 | 0.4 | 115.3 | E334 | E334-R336 PolarHBondContact O-N 2.86Š|
| 337 | Y | 72.6 | Confident | 76.1 | Confident | 172 Ų | 172 | 111.7 Ų | 111.7 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -16.1 | -179.3 | -60.2 | -87.9 | 0 | 0 | 0 | 114.1 | C335 L352 | C335-Y337 PolarHBondContact O-N 3.19Å; Y337-L352 HydrophobicContact CD2-CD2 3.55Å; Y337-L352 HydrophobicContact CE2-CD2 3.78Å |
| 338 | C | 80.4 | Confident | 78.6 | Confident | 54 Ų | 54 | 104.5 Ų | 104.5 | 37% | 0.365 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160 | 21.5 | -179.1 | 71.6 | 0 | 0 | 0 | 0 | 116.1 | C335 K340 H351 | C335-C338 PolarHBondContact O-N 3.39Å; C338-K340 PolarHBondContact O-N 2.87Å; C338-K340 VanDerWaalsContact SG-CD 3.56Å; C338-H351 PolarHBondContact SG-NE2 2.75Å |
| 339 | G | 74.2 | Confident | 80.4 | Confident | 53 Ų | 53 | 106.1 Ų | 106.1 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | trans | 67.3 | 0.2 | 173 | 0 | 0 | 0 | 0 | 0 | 117.2 | C335 K341 | C335-G339 PolarHBondContact O-N 2.87Å; G339-K341 PolarHBondContact O-N 3.42Å | ||
| 340 | K | 80.1 | Confident | 82 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | trans | -69.5 | 120 | -175.7 | -70 | 175.1 | -169.8 | 167.7 | 0 | 110.7 | E334 C335 C338 F342 | E334-K340 CarbonylContact C-O 3.44Å; E334-K340 WeakPolarHBondContact CA-O 3.42Å; C335-K340 HydrophobicContact CB-CB 4.3Å; C335-K340 PolarHBondContact N-O 3.29Å; C338-K340 PolarHBondContact O-N 2.87Å; C338-K340 VanDerWaalsContact SG-CD 3.56Å; K340-F342 HydrophobicContact CB-CE2 3.63Å; K340-F342 HydrophobicContact CB-CZ 3.93Å; K340-F342 WeakPolarHBondContact O-CD2 3.38Å; K340-F342 WeakPolarHBondContact O-CE2 3.32Å | ||
| 341 | K | 83.1 | Confident | 83.1 | Confident | 135 Ų | 135 | 101.4 Ų | 101.4 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 137.7 | 178 | -58.6 | -164.5 | 173.5 | -169.2 | 0 | 111.3 | L332 E334 G339 | L332-K341 HydrophobicContact CB-CB 4.35Å; L332-K341 HydrophobicContact CB-CD 4.49Å; L332-K341 HydrophobicContact CD2-CB 4.41Å; E334-K341 HydrophobicContact CB-CG 4.13Å; G339-K341 PolarHBondContact O-N 3.42Å |
| 342 | F | 86.4 | Confident | 83.9 | Confident | 46 Ų | 46 | 96.7 Ų | 96.7 | 20% | 0.202 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.4 | -177 | -64.3 | -89.3 | 0 | 0 | 0 | 111.4 | Y333 C335 K340 R344 L348 H351 | Y333-F342 PolarHBondContact N-O 3.31Å; Y333-F342 PolarHBondContact O-N 2.88Å; C335-F342 HydrophobicContact CB-CE2 4.29Å; K340-F342 HydrophobicContact CB-CE2 3.63Å; K340-F342 HydrophobicContact CB-CZ 3.93Å; K340-F342 WeakPolarHBondContact O-CD2 3.38Å; K340-F342 WeakPolarHBondContact O-CE2 3.32Å; F342-R344 PolarHBondContact O-N 2.81Å; F342-L348 HydrophobicContact CB-CB 4.31Å; F342-L348 HydrophobicContact CD2-CB 3.93Å; F342-L348 HydrophobicContact CD2-CD1 3.9Å; F342-L348 HydrophobicContact CD2-CG 4.48Å; F342-L348 HydrophobicContact CE2-CD1 3.98Å; F342-L348 HydrophobicContact CG-CB 4.27Å; F342-H351 HydrophobicContact CE1-CB 4.16Å; F342-H351 HydrophobicContact CE2-CB 4.04Å; F342-H351 AromaticContact CE2-CD2 3.45Å; F342-H351 VanDerWaalsContact CE2-CD2 3.45Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.39Å; F342-H351 AromaticContact CE2-CG 3.91Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.44Å; F342-H351 VanDerWaalsContact CZ-CD2 3.44Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.42Å; F342-H351 AromaticContact CZ-CG 3.47Å; F342-H351 VanDerWaalsContact CZ-CG 3.47Å |
| 343 | R | 85.5 | Confident | 84 | Confident | 171 Ų | 171 | 94.6 Ų | 94.6 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -57.9 | -10.9 | 176.2 | -75.6 | -179.7 | 157 | 165.4 | -9.5 | 115.8 | E330 L332 | E330-R343 VanDerWaalsContact OE1-CD 3.24Å; E330-R343 WeakPolarHBondContact OE1-CD 3.29Å; E330-R343 WeakPolarHBondContact OE1-CG 3.15Å; E330-R343 IonicContact OE1-CZ 2.89Å; E330-R343 IonicContact OE1-NE 3.53Å; E330-R343 PolarHBondContact OE1-NE 3.01Å; E330-R343 IonicContact OE1-NH2 3.47Å; E330-R343 IonicContact OE2-CZ 3.51Å; E330-R343 IonicContact OE2-NE 3.16Å; E330-R343 PolarHBondContact OE2-NE 2.87Å; E330-R343 IonicContact OE2-NH2 3.64Å; E330-R343 PolarHBondContact OE2-NH2 2.89Å; L332-R343 HydrophobicContact CD2-CB 4.47Å; L332-R343 HydrophobicContact CD2-CG 3.77Å |
| 344 | R | 84.9 | Confident | 83.6 | Confident | 152 Ų | 152 | 93.9 Ų | 93.9 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -149 | 131.8 | 179.3 | -76.1 | -175.8 | -86.9 | -171.8 | -4.8 | 111.4 | F342 A346 Y347 L348 | F342-R344 PolarHBondContact O-N 2.81Å; R344-A346 PolarHBondContact O-N 3.21Å; R344-A346 VanDerWaalsContact O-N 3.09Å; R344-Y347 HydrophobicContact CB-CD2 3.88Å; R344-Y347 HydrophobicContact CB-CE2 4.2Å; R344-Y347 PolarHBondContact NH2-OH 3.35Å; R344-Y347 PolarHBondContact O-N 2.68Å; R344-L348 PolarHBondContact O-N 2.85Å |
| 345 | Q | 85.6 | Confident | 83.1 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -53.1 | -32.1 | 179.7 | -174.3 | 64.6 | -74.2 | 0 | 0 | 113.5 | Y333 Y347 L348 K349 | Y333-Q345 HydrophobicContact CD1-CB 4.16Å; Y333-Q345 HydrophobicContact CD1-CG 4.45Å; Y333-Q345 HydrophobicContact CD2-CB 3.89Å; Y333-Q345 HydrophobicContact CE1-CB 4.14Å; Y333-Q345 HydrophobicContact CE2-CB 3.82Å; Y333-Q345 HydrophobicContact CG-CB 4.03Å; Q345-Y347 VanDerWaalsContact C-N 3.3Å; Q345-Y347 PolarHBondContact O-N 3.3Å; Q345-L348 PolarHBondContact O-N 2.98Å; Q345-K349 WeakPolarHBondContact O-CG 3.31Å; Q345-K349 PolarHBondContact O-N 3.39Å |
| 346 | A | 88.6 | Confident | 82.1 | Confident | 64 Ų | 64 | 96.8 Ų | 96.8 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.9 | -28.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R344 K350 | R344-A346 PolarHBondContact O-N 3.21Å; R344-A346 VanDerWaalsContact O-N 3.09Å; A346-K350 WeakPolarHBondContact O-CG 3.44Å; A346-K350 PolarHBondContact O-N 3.27Å |
| 347 | Y | 86.3 | Confident | 80.7 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.6 | -36.6 | 173.8 | -61.5 | -49.3 | 0 | 0 | 0 | 111.7 | R344 Q345 K350 H351 | R344-Y347 HydrophobicContact CB-CD2 3.88Å; R344-Y347 HydrophobicContact CB-CE2 4.2Å; R344-Y347 PolarHBondContact NH2-OH 3.35Å; R344-Y347 PolarHBondContact O-N 2.68Å; Q345-Y347 VanDerWaalsContact C-N 3.3Å; Q345-Y347 PolarHBondContact O-N 3.3Å; Y347-K350 PolarHBondContact O-N 3.26Å; Y347-H351 WeakPolarHBondContact O-CB 3.43Å; Y347-H351 PolarHBondContact O-N 3.28Å |
| 348 | L | 90.3 | Very high | 79.9 | Confident | 13 Ų | 13 | 89.6 Ų | 89.6 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 170.9 | 175.8 | 56.6 | 0 | 0 | 0 | 110.7 | E334 C335 F342 R344 Q345 K350 H351 L352 | E334-L348 WeakPolarHBondContact O-CD2 3.39Å; C335-L348 HydrophobicContact CB-CD1 3.58Å; F342-L348 HydrophobicContact CB-CB 4.31Å; F342-L348 HydrophobicContact CD2-CB 3.93Å; F342-L348 HydrophobicContact CD2-CD1 3.9Å; F342-L348 HydrophobicContact CD2-CG 4.48Å; F342-L348 HydrophobicContact CE2-CD1 3.98Å; F342-L348 HydrophobicContact CG-CB 4.27Å; R344-L348 PolarHBondContact O-N 2.85Å; Q345-L348 PolarHBondContact O-N 2.98Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.1Å; L348-H351 CarbonylContact O-C 3.55Å; L348-H351 WeakPolarHBondContact O-CA 3.22Å; L348-H351 WeakPolarHBondContact O-CB 3.22Å; L348-H351 PolarHBondContact O-N 3.21Å; L348-L352 HydrophobicContact CD1-CD1 4.23Å; L348-L352 HydrophobicContact CD1-CD2 4.24Å; L348-L352 HydrophobicContact CD1-CG 3.94Å; L348-L352 HydrophobicContact CG-CD1 4.08Å; L348-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CG 3.39Å; L348-L352 PolarHBondContact O-N 3.05Å |
| 349 | K | 86.3 | Confident | 78.5 | Confident | 144 Ų | 144 | 90.8 Ų | 90.8 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -55.8 | -44.6 | 176.1 | -73.7 | -174.6 | 176.5 | -173.5 | 0 | 112.9 | Q345 H351 L352 A353 | Q345-K349 WeakPolarHBondContact O-CG 3.31Å; Q345-K349 PolarHBondContact O-N 3.39Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-H351 PolarHBondContact O-N 3.48Å; K349-L352 PolarHBondContact O-N 3.4Å; K349-A353 PolarHBondContact O-N 3.2Å; K349-A353 VanDerWaalsContact O-N 3.12Å |
| 350 | K | 86.9 | Confident | 77.1 | Confident | 159 Ų | 159 | 95.9 Ų | 95.9 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.3 | -29.9 | 174.8 | -73.4 | -177.7 | 179.6 | -171.3 | 0 | 113.3 | A346 Y347 L348 | A346-K350 WeakPolarHBondContact O-CG 3.44Å; A346-K350 PolarHBondContact O-N 3.27Å; Y347-K350 PolarHBondContact O-N 3.26Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.1Å |
| 351 | H | 83.8 | Confident | 75.3 | Confident | 32 Ų | 32 | 94.1 Ų | 94.1 | 15% | 0.148 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -76.3 | -36.8 | 175 | 176 | 45.5 | 0 | 0 | 0 | 112.6 | C335 C338 F342 Y347 L348 K349 A354 H355 | C335-H351 VanDerWaalsContact SG-CD2 3.53Å; C335-H351 PolarHBondContact SG-NE2 2.93Å; C338-H351 PolarHBondContact SG-NE2 2.75Å; F342-H351 HydrophobicContact CE1-CB 4.16Å; F342-H351 HydrophobicContact CE2-CB 4.04Å; F342-H351 AromaticContact CE2-CD2 3.45Å; F342-H351 VanDerWaalsContact CE2-CD2 3.45Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.39Å; F342-H351 AromaticContact CE2-CG 3.91Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.44Å; F342-H351 VanDerWaalsContact CZ-CD2 3.44Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.42Å; F342-H351 AromaticContact CZ-CG 3.47Å; F342-H351 VanDerWaalsContact CZ-CG 3.47Å; Y347-H351 WeakPolarHBondContact O-CB 3.43Å; Y347-H351 PolarHBondContact O-N 3.28Å; L348-H351 CarbonylContact O-C 3.55Å; L348-H351 WeakPolarHBondContact O-CA 3.22Å; L348-H351 WeakPolarHBondContact O-CB 3.22Å; L348-H351 PolarHBondContact O-N 3.21Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-H351 PolarHBondContact O-N 3.48Å; H351-A354 WeakPolarHBondContact O-CB 3.45Å; H351-A354 PolarHBondContact O-N 2.79Å; H351-A354 VanDerWaalsContact O-N 3.15Å; H351-H355 AromaticContact CE1-CD2 3.78Å; H351-H355 AromaticContact CE1-NE2 3.2Å; H351-H355 PolarHBondContact CE1-NE2 2.96Å; H351-H355 AromaticContact NE2-CD2 3.84Å; H351-H355 AromaticContact NE2-NE2 3.1Å; H351-H355 PolarHBondContact NE2-NE2 3.09Å; H351-H355 PolarHBondContact O-CD2 3.01Å |
| 352 | L | 84.6 | Confident | 72.9 | Confident | 38 Ų | 38 | 92.5 Ų | 92.5 | 20% | 0.199 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.2 | -67.6 | 173.6 | 0 | 0 | 0 | 111.5 | Y337 L348 K349 A354 H355 E356 | Y337-L352 HydrophobicContact CD2-CD2 3.55Å; Y337-L352 HydrophobicContact CE2-CD2 3.78Å; L348-L352 HydrophobicContact CD1-CD1 4.23Å; L348-L352 HydrophobicContact CD1-CD2 4.24Å; L348-L352 HydrophobicContact CD1-CG 3.94Å; L348-L352 HydrophobicContact CG-CD1 4.08Å; L348-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CG 3.39Å; L348-L352 PolarHBondContact O-N 3.05Å; K349-L352 PolarHBondContact O-N 3.4Å; L352-A354 PolarHBondContact O-N 3.22Å; L352-A354 VanDerWaalsContact O-N 3.09Å; L352-H355 WeakPolarHBondContact O-CA 3.43Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 2.9Å; L352-E356 PolarHBondContact O-N 3.22Å |
| 353 | A | 82.6 | Confident | 71.1 | Confident | 33 Ų | 33 | 96.1 Ų | 96.1 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57 | -25.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | K349 E356 M357 | K349-A353 PolarHBondContact O-N 3.2Å; K349-A353 VanDerWaalsContact O-N 3.12Å; A353-E356 WeakPolarHBondContact CA-OE2 3.39Å; A353-E356 PolarHBondContact O-N 2.93Å; A353-M357 WeakPolarHBondContact O-CB 3.5Å; A353-M357 VanDerWaalsContact O-CG 3.3Å; A353-M357 WeakPolarHBondContact O-CG 3.49Å; A353-M357 PolarHBondContact O-N 3.16Å |
| 354 | A | 78.2 | Confident | 68.7 | Low | 49 Ų | 49 | 94 Ų | 94 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.2 | -27.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H351 L352 T358 | H351-A354 WeakPolarHBondContact O-CB 3.45Å; H351-A354 PolarHBondContact O-N 2.79Å; H351-A354 VanDerWaalsContact O-N 3.15Å; L352-A354 PolarHBondContact O-N 3.22Å; L352-A354 VanDerWaalsContact O-N 3.09Å; A354-T358 PolarHBondContact O-N 2.96Å; A354-T358 PolarHBondContact O-OG1 2.89Å |
| 355 | H | 74.1 | Confident | 66.5 | Low | 60 Ų | 60 | 93.1 Ų | 93.1 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.5 | -43.2 | 168 | -66 | -87.7 | 0 | 0 | 0 | 110.2 | H351 L352 T358 A359 | H351-H355 AromaticContact CE1-CD2 3.78Å; H351-H355 AromaticContact CE1-NE2 3.2Å; H351-H355 PolarHBondContact CE1-NE2 2.96Å; H351-H355 AromaticContact NE2-CD2 3.84Å; H351-H355 AromaticContact NE2-NE2 3.1Å; H351-H355 PolarHBondContact NE2-NE2 3.09Å; H351-H355 PolarHBondContact O-CD2 3.01Å; L352-H355 WeakPolarHBondContact O-CA 3.43Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 2.9Å; H355-T358 CarbonylContact O-C 3.39Å; H355-T358 WeakPolarHBondContact O-CA 3.47Å; H355-T358 WeakPolarHBondContact O-CB 3.15Å; H355-T358 PolarHBondContact O-N 3.2Å; H355-A359 PolarHBondContact O-N 2.91Å |
| 356 | E | 66.8 | Low | 64 | Low | 111 Ų | 111 | 94.8 Ų | 94.8 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.1 | -46.8 | 177.5 | -66.7 | 160.6 | -167.2 | 0 | 0 | 112.1 | L352 A353 T358 A359 H360 | L352-E356 PolarHBondContact O-N 3.22Å; A353-E356 WeakPolarHBondContact CA-OE2 3.39Å; A353-E356 PolarHBondContact O-N 2.93Å; E356-T358 PolarHBondContact O-N 3.04Å; E356-A359 PolarHBondContact O-N 3.47Å; E356-A359 VanDerWaalsContact O-N 3.09Å; E356-H360 PolarHBondContact O-CD2 3.1Å; E356-H360 VanDerWaalsContact O-CD2 3.22Å; E356-H360 PolarHBondContact O-N 3.3Å |
| 357 | M | 54.2 | Low | 61.8 | Low | 150 Ų | 150 | 97.4 Ų | 97.4 | 74% | 0.739 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.2 | -24.2 | 174 | -74.4 | 178.8 | 175.7 | 0 | 0 | 113.5 | A353 | A353-M357 WeakPolarHBondContact O-CB 3.5Å; A353-M357 VanDerWaalsContact O-CG 3.3Å; A353-M357 WeakPolarHBondContact O-CG 3.49Å; A353-M357 PolarHBondContact O-N 3.16Å |
| 358 | T | 54.3 | Low | 59.3 | Low | 108 Ų | 108 | 102.4 Ų | 102.4 | 66% | 0.663 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -83.4 | -31.3 | 174.8 | -52 | 0 | 0 | 0 | 0 | 111.6 | A354 H355 E356 | A354-T358 PolarHBondContact O-N 2.96Å; A354-T358 PolarHBondContact O-OG1 2.89Å; H355-T358 CarbonylContact O-C 3.39Å; H355-T358 WeakPolarHBondContact O-CA 3.47Å; H355-T358 WeakPolarHBondContact O-CB 3.15Å; H355-T358 PolarHBondContact O-N 3.2Å; E356-T358 PolarHBondContact O-N 3.04Å |
| 359 | A | 52 | Low | 56.7 | Low | 79 Ų | 79 | 106.7 Ų | 106.7 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.6 | -28.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H355 E356 | H355-A359 PolarHBondContact O-N 2.91Å; E356-A359 PolarHBondContact O-N 3.47Å; E356-A359 VanDerWaalsContact O-N 3.09Å |
| 360 | H | 45.2 | Very low | 54.5 | Low | 159 Ų | 159 | 109 Ų | 109 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 11.3 | 177.5 | -70 | -63 | 0 | 0 | 0 | 114.4 | E356 S362 | E356-H360 PolarHBondContact O-CD2 3.1Å; E356-H360 VanDerWaalsContact O-CD2 3.22Å; E356-H360 PolarHBondContact O-N 3.3Å; H360-S362 PolarHBondContact O-N 3.28Å |
| 361 | A | 41.8 | Very low | 52.2 | Low | 81 Ų | 81 | 105.8 Ų | 105.8 | 67% | 0.669 | 63% | 0.633 | S | S | * | * | trans | -79.4 | 56.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 362 | S | 33.5 | Very low | 50 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -114.1 | 152 | 168.2 | -83 | 0 | 0 | 0 | 0 | 110.2 | H360 | H360-S362 PolarHBondContact O-N 3.28Š|
| 363 | P | 47 | Very low | 47.6 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | -69.3 | 149.3 | -162.2 | 25.9 | -35 | 0 | 0 | 0 | 114.5 | ||||
| 364 | T | 35.6 | Very low | 45.6 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | -63.7 | 135.7 | 174.6 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | S366 | T364-S366 PolarHBondContact O-N 2.92Å; T364-S366 VanDerWaalsContact O-N 3.1Å | ||
| 365 | P | 39.8 | Very low | 43.4 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -71.1 | 106.1 | 173.4 | 29.1 | -33.1 | 0 | 0 | 0 | 110.5 | ||||
| 366 | S | 32.2 | Very low | 41.7 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -82.1 | 128.5 | 164.3 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | T364 Y368 | T364-S366 PolarHBondContact O-N 2.92Å; T364-S366 VanDerWaalsContact O-N 3.1Å; S366-Y368 PolarHBondContact O-N 3.08Å; S366-Y368 VanDerWaalsContact O-N 3.16Å | ||
| 367 | S | 42.6 | Very low | 40.5 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -87.3 | 81.9 | -167.4 | 58 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 368 | Y | 34.8 | Very low | 40.1 | Very low | 216 Ų | 216 | 130.7 Ų | 130.7 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -157.1 | 163.6 | 156.1 | -157.8 | -112.6 | 0 | 0 | 0 | 112.8 | S366 | S366-Y368 PolarHBondContact O-N 3.08Å; S366-Y368 VanDerWaalsContact O-N 3.16Å | ||
| 369 | S | 35.1 | Very low | 39.7 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 69.5 | 133.1 | 179.3 | -59.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 370 | Q | 39.7 | Very low | 40.1 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -102.9 | 155.8 | -175.4 | -69.2 | 173.1 | -38 | 0 | 0 | 112.8 | ||||
| 371 | A | 39.4 | Very low | 40.8 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | 43.4 | 118.8 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 372 | R | 36.7 | Very low | 41.8 | Very low | 259 Ų | 259 | 128.7 Ų | 128.7 | 98% | 0.977 | 77% | 0.772 | S | S | * | * | -136.6 | 176.5 | 113.4 | -68.4 | -148.9 | 92.5 | 155.8 | 6 | 109.6 | |||||
| 373 | D | 34.3 | Very low | 43.7 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -108.2 | 159 | -154.8 | -174.3 | 6.8 | 0 | 0 | 0 | 113.3 | ||||
| 374 | S | 39.4 | Very low | 45.1 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 63.9 | 119.9 | 156.5 | -74 | 0 | 0 | 0 | 0 | 120 | ||||
| 375 | G | 33.7 | Very low | 47.1 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | trans | 166.1 | 65.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 376 | S | 38 | Very low | 48.6 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | 37.2 | 92 | 159.8 | -155.8 | 0 | 0 | 0 | 0 | 118.4 | Q378 | S376-Q378 PolarHBondContact O-N 3.33Š| ||
| 377 | V | 41.3 | Very low | 50.5 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 93% | 0.927 | 67% | 0.67 | S | S | * | * | trans | -74.2 | 91.8 | 166.7 | -179 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 378 | Q | 45.3 | Very low | 52 | Low | 161 Ų | 161 | 115.2 Ų | 115.2 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | trans | -82.4 | 135.7 | 168.6 | -69 | -172.1 | 1.9 | 0 | 0 | 110.8 | S376 | S376-Q378 PolarHBondContact O-N 3.33Š| ||
| 379 | S | 47.4 | Very low | 53.6 | Low | 102 Ų | 102 | 107.1 Ų | 107.1 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | trans | -54.7 | 151.2 | -176.8 | 44.6 | 0 | 0 | 0 | 0 | 113 | Q381 | S379-Q381 PolarHBondContact O-N 3.22Š| ||
| 380 | G | 59.1 | Low | 55.1 | Low | 76 Ų | 76 | 103.9 Ų | 103.9 | 78% | 0.784 | 61% | 0.614 | S | S | * | * | trans | -54.7 | 95.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V382 | G380-V382 PolarHBondContact O-N 2.93Š| ||
| 381 | Q | 60.7 | Low | 56.5 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | trans | -71.6 | 115.4 | -174.1 | -166.8 | 76.5 | -46.9 | 0 | 0 | 110.2 | S379 F383 | S379-Q381 PolarHBondContact O-N 3.22Å; Q381-F383 HydrophobicContact CB-CE1 4.36Å; Q381-F383 HydrophobicContact CB-CE2 4.1Å; Q381-F383 HydrophobicContact CB-CZ 3.77Å; Q381-F383 HydrophobicContact CG-CD1 4.42Å; Q381-F383 HydrophobicContact CG-CE1 3.68Å; Q381-F383 HydrophobicContact CG-CE2 4.28Å; Q381-F383 HydrophobicContact CG-CZ 3.6Å; Q381-F383 VanDerWaalsContact O-CD2 3.29Å; Q381-F383 WeakPolarHBondContact O-CD2 3.43Å; Q381-F383 WeakPolarHBondContact O-CE2 3.04Å | ||
| 382 | V | 62.4 | Low | 58.1 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | trans | -91.7 | 116 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | G380 R391 | G380-V382 PolarHBondContact O-N 2.93Å; V382-R391 HydrophobicContact CG1-CB 3.62Å; V382-R391 HydrophobicContact CG1-CG 3.7Å | ||
| 383 | F | 73.8 | Confident | 59.4 | Low | 54 Ų | 54 | 94 Ų | 94 | 24% | 0.237 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 115 | -175.3 | -59.8 | -77.7 | 0 | 0 | 0 | 110.9 | Q381 F392 V395 R398 | Q381-F383 HydrophobicContact CB-CE1 4.36Å; Q381-F383 HydrophobicContact CB-CE2 4.1Å; Q381-F383 HydrophobicContact CB-CZ 3.77Å; Q381-F383 HydrophobicContact CG-CD1 4.42Å; Q381-F383 HydrophobicContact CG-CE1 3.68Å; Q381-F383 HydrophobicContact CG-CE2 4.28Å; Q381-F383 HydrophobicContact CG-CZ 3.6Å; Q381-F383 VanDerWaalsContact O-CD2 3.29Å; Q381-F383 WeakPolarHBondContact O-CD2 3.43Å; Q381-F383 WeakPolarHBondContact O-CE2 3.04Å; F383-F392 PolarHBondContact N-O 2.95Å; F383-F392 PolarHBondContact O-N 3.16Å; F383-V395 HydrophobicContact CD1-CG2 3.48Å; F383-V395 VanDerWaalsContact CD1-CG2 3.48Å; F383-V395 HydrophobicContact CD2-CG2 4.14Å; F383-V395 HydrophobicContact CE1-CG2 3.39Å; F383-V395 HydrophobicContact CE2-CG2 4.06Å; F383-V395 HydrophobicContact CG-CG2 3.86Å; F383-V395 HydrophobicContact CZ-CG2 3.69Å; F383-R398 HydrophobicContact CB-CB 4.43Å |
| 384 | L | 75.1 | Confident | 61.3 | Low | 87 Ų | 87 | 89 Ų | 89 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134.1 | 179.7 | -68.9 | 164.4 | 0 | 0 | 0 | 111.5 | H386 G389 A390 R391 R398 | L384-H386 PolarHBondContact O-CE1 3.07Å; L384-H386 PolarHBondContact O-ND1 2.74Å; L384-G389 VanDerWaalsContact CD2-O 3.31Å; L384-G389 WeakPolarHBondContact CD2-O 3.33Å; L384-A390 CarbonylContact C-O 3.59Å; L384-A390 WeakPolarHBondContact CA-O 3.21Å; L384-R391 HydrophobicContact CD2-CG 3.46Å; L384-R391 VanDerWaalsContact CD2-CG 3.46Å; L384-R398 WeakPolarHBondContact O-CD 3.34Å |
| 385 | C | 79.1 | Confident | 63 | Low | 2 Ų | 2 | 86.7 Ų | 86.7 | 1% | 0.014 | 52% | 0.521 | C | S | . | . | trans | -74.8 | 125.9 | 164.2 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L387 C388 G389 A390 F392 R398 H401 | C385-L387 PolarHBondContact O-N 2.68Å; C385-C388 VanDerWaalsContact SG-SG 3.66Å; C385-G389 VanDerWaalsContact O-CA 3.32Å; C385-G389 WeakPolarHBondContact O-CA 3.43Å; C385-G389 PolarHBondContact O-N 2.8Å; C385-A390 HydrophobicContact CB-CB 4.46Å; C385-A390 PolarHBondContact N-O 3.01Å; C385-F392 HydrophobicContact CB-CE2 3.92Å; C385-R398 HydrophobicContact CB-CG 4.26Å; C385-H401 VanDerWaalsContact SG-CD2 3.57Å | ||
| 386 | H | 70.9 | Confident | 64.9 | Low | 123 Ų | 123 | 88.5 Ų | 88.5 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.9 | -173.5 | -21.5 | -55.7 | 0 | 0 | 0 | 112.8 | L384 | L384-H386 PolarHBondContact O-CE1 3.07Å; L384-H386 PolarHBondContact O-ND1 2.74Å |
| 387 | L | 72.3 | Confident | 66.4 | Low | 101 Ų | 101 | 87.9 Ų | 87.9 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -9.2 | -174 | -56.8 | 174.7 | 0 | 0 | 0 | 113.6 | C385 H405 | C385-L387 PolarHBondContact O-N 2.68Å; L387-H405 HydrophobicContact CD1-CB 3.52Å |
| 388 | C | 73.1 | Confident | 68.1 | Low | 68 Ų | 68 | 82.5 Ų | 82.5 | 46% | 0.459 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.7 | -0.7 | -178.8 | 67.4 | 0 | 0 | 0 | 0 | 115.5 | C385 A390 H401 H405 | C385-C388 VanDerWaalsContact SG-SG 3.66Å; C388-A390 PolarHBondContact O-N 2.79Å; C388-A390 VanDerWaalsContact SG-CB 3.51Å; C388-H401 PolarHBondContact SG-NE2 3.09Å; C388-H405 PolarHBondContact SG-NE2 3.42Å |
| 389 | G | 69.3 | Low | 69.5 | Low | 47 Ų | 47 | 77 Ų | 77 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | trans | 71.9 | 0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L384 C385 | L384-G389 VanDerWaalsContact CD2-O 3.31Å; L384-G389 WeakPolarHBondContact CD2-O 3.33Å; C385-G389 VanDerWaalsContact O-CA 3.32Å; C385-G389 WeakPolarHBondContact O-CA 3.43Å; C385-G389 PolarHBondContact O-N 2.8Å | ||
| 390 | A | 66.8 | Low | 70.6 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 28% | 0.281 | 43% | 0.431 | S | S | . | . | trans | -61.5 | 138.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L384 C385 C388 F392 | L384-A390 CarbonylContact C-O 3.59Å; L384-A390 WeakPolarHBondContact CA-O 3.21Å; C385-A390 HydrophobicContact CB-CB 4.46Å; C385-A390 PolarHBondContact N-O 3.01Å; C388-A390 PolarHBondContact O-N 2.79Å; C388-A390 VanDerWaalsContact SG-CB 3.51Å; A390-F392 HydrophobicContact CB-CE2 3.59Å; A390-F392 HydrophobicContact CB-CZ 3.82Å; A390-F392 WeakPolarHBondContact O-CD2 3.35Å; A390-F392 WeakPolarHBondContact O-CE2 3.23Å | ||
| 391 | R | 68.1 | Low | 71.3 | Confident | 192 Ų | 192 | 76.8 Ų | 76.8 | 73% | 0.725 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.8 | -174.4 | -74.6 | 177.5 | 177.1 | -144.9 | -2 | 111.2 | V382 L384 | V382-R391 HydrophobicContact CG1-CB 3.62Å; V382-R391 HydrophobicContact CG1-CG 3.7Å; L384-R391 HydrophobicContact CD2-CG 3.46Å; L384-R391 VanDerWaalsContact CD2-CG 3.46Å |
| 392 | F | 72.8 | Confident | 72.1 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.5 | -179.9 | -61.3 | -82.5 | 0 | 0 | 0 | 111.8 | F383 C385 A390 S394 I397 R398 H401 | F383-F392 PolarHBondContact N-O 2.95Å; F383-F392 PolarHBondContact O-N 3.16Å; C385-F392 HydrophobicContact CB-CE2 3.92Å; A390-F392 HydrophobicContact CB-CE2 3.59Å; A390-F392 HydrophobicContact CB-CZ 3.82Å; A390-F392 WeakPolarHBondContact O-CD2 3.35Å; A390-F392 WeakPolarHBondContact O-CE2 3.23Å; F392-S394 VanDerWaalsContact C-N 3.25Å; F392-S394 PolarHBondContact O-N 3.36Å; F392-I397 HydrophobicContact CD1-CB 4.29Å; F392-I397 HydrophobicContact CD1-CG2 3.65Å; F392-I397 HydrophobicContact CE1-CG2 4.25Å; F392-R398 HydrophobicContact CB-CB 4.03Å; F392-R398 HydrophobicContact CD2-CB 3.72Å; F392-R398 HydrophobicContact CD2-CG 3.99Å; F392-R398 HydrophobicContact CG-CB 3.98Å; F392-H401 HydrophobicContact CE1-CB 4.08Å; F392-H401 HydrophobicContact CE2-CB 4.31Å; F392-H401 AromaticContact CE2-CD2 3.36Å; F392-H401 WeakPolarHBondContact CE2-CD2 3.39Å; F392-H401 AromaticContact CE2-CG 3.93Å; F392-H401 HydrophobicContact CZ-CB 3.72Å; F392-H401 AromaticContact CZ-CD2 3.26Å; F392-H401 WeakPolarHBondContact CZ-CD2 3.42Å; F392-H401 AromaticContact CZ-CG 3.38Å; F392-H401 AromaticContact CZ-NE2 3.87Å |
| 393 | P | 64.8 | Low | 72.9 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 71% | 0.708 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -79.2 | -5.2 | 177.4 | 33.2 | -35.5 | 0 | 0 | 0 | 113.4 | I397 | P393-I397 HydrophobicContact CG-CD1 4.17Š|
| 394 | S | 74.1 | Confident | 72.7 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -148.1 | 145.2 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | F392 E396 I397 R398 | F392-S394 VanDerWaalsContact C-N 3.25Å; F392-S394 PolarHBondContact O-N 3.36Å; S394-E396 VanDerWaalsContact C-N 3.27Å; S394-E396 PolarHBondContact O-N 2.94Å; S394-E396 PolarHBondContact OG-N 3.23Å; S394-I397 PolarHBondContact O-N 3.35Å; S394-R398 PolarHBondContact O-N 2.84Å; S394-R398 VanDerWaalsContact O-N 3.14Å |
| 395 | V | 75.3 | Confident | 72.6 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -47.7 | -48 | 168.7 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | F383 I397 R398 D399 | F383-V395 HydrophobicContact CD1-CG2 3.48Å; F383-V395 VanDerWaalsContact CD1-CG2 3.48Å; F383-V395 HydrophobicContact CD2-CG2 4.14Å; F383-V395 HydrophobicContact CE1-CG2 3.39Å; F383-V395 HydrophobicContact CE2-CG2 4.06Å; F383-V395 HydrophobicContact CG-CG2 3.86Å; F383-V395 HydrophobicContact CZ-CG2 3.69Å; V395-I397 VanDerWaalsContact C-N 3.31Å; V395-I397 PolarHBondContact O-N 3.4Å; V395-R398 WeakPolarHBondContact O-CB 3.31Å; V395-R398 PolarHBondContact O-N 3.32Å; V395-D399 VanDerWaalsContact CG1-OD2 3.29Å; V395-D399 WeakPolarHBondContact CG1-OD2 3.45Å; V395-D399 WeakPolarHBondContact O-CB 3.24Å; V395-D399 VanDerWaalsContact O-CG 3.27Å; V395-D399 PolarHBondContact O-N 2.8Å |
| 396 | E | 73.9 | Confident | 72.1 | Confident | 115 Ų | 115 | 79 Ų | 79 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | -174.3 | -164.5 | -159 | 142.6 | 0 | 0 | 112.2 | S394 D399 K400 | S394-E396 VanDerWaalsContact C-N 3.27Å; S394-E396 PolarHBondContact O-N 2.94Å; S394-E396 PolarHBondContact OG-N 3.23Å; E396-D399 PolarHBondContact O-N 3.15Å; E396-K400 WeakPolarHBondContact O-CB 3.4Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 3.34Å; E396-K400 WeakPolarHBondContact OE1-CE 3.41Å; E396-K400 IonicContact OE1-NZ 2.6Å; E396-K400 PolarHBondContact OE1-NZ 3.37Å |
| 397 | I | 68.3 | Low | 71.6 | Confident | 82 Ų | 82 | 78.5 Ų | 78.5 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.9 | -40.6 | 178.9 | -53.4 | 174.2 | 0 | 0 | 0 | 110 | F392 P393 S394 V395 D399 H401 | F392-I397 HydrophobicContact CD1-CB 4.29Å; F392-I397 HydrophobicContact CD1-CG2 3.65Å; F392-I397 HydrophobicContact CE1-CG2 4.25Å; P393-I397 HydrophobicContact CG-CD1 4.17Å; S394-I397 PolarHBondContact O-N 3.35Å; V395-I397 VanDerWaalsContact C-N 3.31Å; V395-I397 PolarHBondContact O-N 3.4Å; I397-D399 VanDerWaalsContact C-N 3.31Å; I397-D399 PolarHBondContact O-N 2.99Å; I397-H401 WeakPolarHBondContact O-CB 3.45Å; I397-H401 PolarHBondContact O-N 2.93Å |
| 398 | R | 77.4 | Confident | 70.7 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 170.9 | 179 | -156.3 | 64.2 | -162.2 | -0.2 | 110.9 | F383 L384 C385 F392 S394 V395 H401 R402 | F383-R398 HydrophobicContact CB-CB 4.43Å; L384-R398 WeakPolarHBondContact O-CD 3.34Å; C385-R398 HydrophobicContact CB-CG 4.26Å; F392-R398 HydrophobicContact CB-CB 4.03Å; F392-R398 HydrophobicContact CD2-CB 3.72Å; F392-R398 HydrophobicContact CD2-CG 3.99Å; F392-R398 HydrophobicContact CG-CB 3.98Å; S394-R398 PolarHBondContact O-N 2.84Å; S394-R398 VanDerWaalsContact O-N 3.14Å; V395-R398 WeakPolarHBondContact O-CB 3.31Å; V395-R398 PolarHBondContact O-N 3.32Å; R398-H401 CarbonylContact O-C 3.59Å; R398-H401 WeakPolarHBondContact O-CA 3.44Å; R398-H401 WeakPolarHBondContact O-CB 3.44Å; R398-H401 PolarHBondContact O-N 3.49Å; R398-H401 VanDerWaalsContact O-N 3.16Å; R398-R402 PolarHBondContact O-N 2.91Å |
| 399 | D | 75.2 | Confident | 69.7 | Low | 45 Ų | 45 | 80.1 Ų | 80.1 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -75.8 | -36 | -173.5 | -67.1 | -24.2 | 0 | 0 | 0 | 112.2 | V395 E396 I397 H401 R402 V403 | V395-D399 VanDerWaalsContact CG1-OD2 3.29Å; V395-D399 WeakPolarHBondContact CG1-OD2 3.45Å; V395-D399 WeakPolarHBondContact O-CB 3.24Å; V395-D399 VanDerWaalsContact O-CG 3.27Å; V395-D399 PolarHBondContact O-N 2.8Å; E396-D399 PolarHBondContact O-N 3.15Å; I397-D399 VanDerWaalsContact C-N 3.31Å; I397-D399 PolarHBondContact O-N 2.99Å; D399-H401 PolarHBondContact O-N 3.07Å; D399-R402 WeakPolarHBondContact O-CB 3.32Å; D399-R402 PolarHBondContact O-N 2.99Å; D399-R402 VanDerWaalsContact OD1-CD 3.29Å; D399-R402 WeakPolarHBondContact OD1-CD 3.3Å; D399-R402 IonicContact OD1-CZ 3.72Å; D399-R402 IonicContact OD1-NE 3.91Å; D399-R402 IonicContact OD1-NH1 2.76Å; D399-R402 PolarHBondContact OD1-NH1 3.14Å; D399-V403 PolarHBondContact O-N 3.3Å; D399-V403 VanDerWaalsContact O-N 3.12Å |
| 400 | K | 69.5 | Low | 68.9 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 59% | 0.591 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.1 | -36.6 | 164.5 | -75.6 | 169.2 | 173.6 | 174.3 | 0 | 112.3 | E396 | E396-K400 WeakPolarHBondContact O-CB 3.4Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 3.34Å; E396-K400 WeakPolarHBondContact OE1-CE 3.41Å; E396-K400 IonicContact OE1-NZ 2.6Å; E396-K400 PolarHBondContact OE1-NZ 3.37Å |
| 401 | H | 75.7 | Confident | 68.1 | Low | 39 Ų | 39 | 88 Ų | 88 | 18% | 0.181 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -74.5 | -25.6 | 173.1 | 166.6 | 70.8 | 0 | 0 | 0 | 113.8 | C385 C388 F392 I397 R398 D399 W404 H405 | C385-H401 VanDerWaalsContact SG-CD2 3.57Å; C388-H401 PolarHBondContact SG-NE2 3.09Å; F392-H401 HydrophobicContact CE1-CB 4.08Å; F392-H401 HydrophobicContact CE2-CB 4.31Å; F392-H401 AromaticContact CE2-CD2 3.36Å; F392-H401 WeakPolarHBondContact CE2-CD2 3.39Å; F392-H401 AromaticContact CE2-CG 3.93Å; F392-H401 HydrophobicContact CZ-CB 3.72Å; F392-H401 AromaticContact CZ-CD2 3.26Å; F392-H401 WeakPolarHBondContact CZ-CD2 3.42Å; F392-H401 AromaticContact CZ-CG 3.38Å; F392-H401 AromaticContact CZ-NE2 3.87Å; I397-H401 WeakPolarHBondContact O-CB 3.45Å; I397-H401 PolarHBondContact O-N 2.93Å; R398-H401 CarbonylContact O-C 3.59Å; R398-H401 WeakPolarHBondContact O-CA 3.44Å; R398-H401 WeakPolarHBondContact O-CB 3.44Å; R398-H401 PolarHBondContact O-N 3.49Å; R398-H401 VanDerWaalsContact O-N 3.16Å; D399-H401 PolarHBondContact O-N 3.07Å; H401-W404 WeakPolarHBondContact O-CB 3.48Å; H401-W404 PolarHBondContact O-N 2.86Å; H401-H405 AromaticContact CE1-CD2 3.87Å; H401-H405 AromaticContact CE1-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 3.76Å; H401-H405 AromaticContact NE2-NE2 3.59Å; H401-H405 PolarHBondContact O-N 2.9Å |
| 402 | R | 75.8 | Confident | 67.1 | Low | 99 Ų | 99 | 82.7 Ų | 82.7 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.1 | -32.5 | 170.7 | -75 | 167.4 | 60.6 | -145.5 | 1.4 | 112.4 | R398 D399 W404 H405 A406 | R398-R402 PolarHBondContact O-N 2.91Å; D399-R402 WeakPolarHBondContact O-CB 3.32Å; D399-R402 PolarHBondContact O-N 2.99Å; D399-R402 VanDerWaalsContact OD1-CD 3.29Å; D399-R402 WeakPolarHBondContact OD1-CD 3.3Å; D399-R402 IonicContact OD1-CZ 3.72Å; D399-R402 IonicContact OD1-NE 3.91Å; D399-R402 IonicContact OD1-NH1 2.76Å; D399-R402 PolarHBondContact OD1-NH1 3.14Å; R402-W404 VanDerWaalsContact C-N 3.25Å; R402-W404 PolarHBondContact O-N 3.13Å; R402-H405 WeakPolarHBondContact O-CB 3.42Å; R402-H405 PolarHBondContact O-N 3.34Å; R402-A406 PolarHBondContact O-N 2.84Å |
| 403 | V | 79.3 | Confident | 66 | Low | 88 Ų | 88 | 84 Ų | 84 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -32.7 | 170.7 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | D399 H405 A406 M407 | D399-V403 PolarHBondContact O-N 3.3Å; D399-V403 VanDerWaalsContact O-N 3.12Å; V403-H405 VanDerWaalsContact C-N 3.27Å; V403-H405 PolarHBondContact O-N 2.99Å; V403-A406 PolarHBondContact O-N 3.44Å; V403-M407 PolarHBondContact O-N 2.81Å; V403-M407 VanDerWaalsContact O-N 3.15Å |
| 404 | W | 71 | Confident | 65.1 | Low | 133 Ų | 133 | 85.7 Ų | 85.7 | 50% | 0.504 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -28.3 | 171.9 | -176.8 | 87 | 0 | 0 | 0 | 113.1 | H401 R402 R408 | H401-W404 WeakPolarHBondContact O-CB 3.48Å; H401-W404 PolarHBondContact O-N 2.86Å; R402-W404 VanDerWaalsContact C-N 3.25Å; R402-W404 PolarHBondContact O-N 3.13Å; W404-R408 WeakPolarHBondContact O-CB 3.35Å; W404-R408 PolarHBondContact O-N 3.13Å; W404-R408 VanDerWaalsContact O-N 3.12Å |
| 405 | H | 72.1 | Confident | 63.6 | Low | 21 Ų | 21 | 88.5 Ų | 88.5 | 10% | 0.097 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 170.1 | -85.9 | -90.9 | 0 | 0 | 0 | 112.2 | L387 C388 H401 R402 V403 M407 R408 D409 | L387-H405 HydrophobicContact CD1-CB 3.52Å; C388-H405 PolarHBondContact SG-NE2 3.42Å; H401-H405 AromaticContact CE1-CD2 3.87Å; H401-H405 AromaticContact CE1-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 3.76Å; H401-H405 AromaticContact NE2-NE2 3.59Å; H401-H405 PolarHBondContact O-N 2.9Å; R402-H405 WeakPolarHBondContact O-CB 3.42Å; R402-H405 PolarHBondContact O-N 3.34Å; V403-H405 VanDerWaalsContact C-N 3.27Å; V403-H405 PolarHBondContact O-N 2.99Å; H405-M407 PolarHBondContact O-N 3.3Å; H405-R408 CarbonylContact O-C 3.59Å; H405-R408 WeakPolarHBondContact O-CA 3.04Å; H405-R408 VanDerWaalsContact O-CB 3.31Å; H405-R408 WeakPolarHBondContact O-CB 3.42Å; H405-R408 PolarHBondContact O-N 3.35Å; H405-D409 PolarHBondContact O-N 3.2Å |
| 406 | A | 69.7 | Low | 61.9 | Low | 55 Ų | 55 | 93 Ų | 93 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R402 V403 R408 D409 E410 | R402-A406 PolarHBondContact O-N 2.84Å; V403-A406 PolarHBondContact O-N 3.44Å; A406-R408 PolarHBondContact O-N 2.87Å; A406-D409 PolarHBondContact O-N 2.97Å; A406-E410 PolarHBondContact O-N 3.21Å; A406-E410 VanDerWaalsContact O-N 3.11Å |
| 407 | M | 59.5 | Low | 60.2 | Low | 111 Ų | 111 | 90.4 Ų | 90.4 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -18.7 | 174 | -69.4 | -180 | 166 | 0 | 0 | 114 | V403 H405 L411 | V403-M407 PolarHBondContact O-N 2.81Å; V403-M407 VanDerWaalsContact O-N 3.15Å; H405-M407 PolarHBondContact O-N 3.3Å; M407-L411 WeakPolarHBondContact O-CD1 3.46Å |
| 408 | R | 52.4 | Low | 58.7 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -81.4 | -42.9 | 173.4 | -177.4 | 73.3 | 111.4 | 135.9 | 17.5 | 110.8 | W404 H405 A406 L411 L412 | W404-R408 WeakPolarHBondContact O-CB 3.35Å; W404-R408 PolarHBondContact O-N 3.13Å; W404-R408 VanDerWaalsContact O-N 3.12Å; H405-R408 CarbonylContact O-C 3.59Å; H405-R408 WeakPolarHBondContact O-CA 3.04Å; H405-R408 VanDerWaalsContact O-CB 3.31Å; H405-R408 WeakPolarHBondContact O-CB 3.42Å; H405-R408 PolarHBondContact O-N 3.35Å; A406-R408 PolarHBondContact O-N 2.87Å; R408-L411 PolarHBondContact O-N 3.36Å; R408-L412 HydrophobicContact CG-CD1 3.95Å; R408-L412 HydrophobicContact CG-CG 4.5Å; R408-L412 WeakPolarHBondContact O-CG 3.28Å; R408-L412 PolarHBondContact O-N 2.78Å |
| 409 | D | 52.8 | Low | 56.8 | Low | 86 Ų | 86 | 92.2 Ų | 92.2 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.2 | -32.6 | -176.1 | -68.4 | -12.3 | 0 | 0 | 0 | 111.4 | H405 A406 L412 A413 | H405-D409 PolarHBondContact O-N 3.2Å; A406-D409 PolarHBondContact O-N 2.97Å; D409-L412 PolarHBondContact O-N 3.23Å; D409-A413 WeakPolarHBondContact O-CB 3.38Å; D409-A413 PolarHBondContact O-N 2.66Å |
| 410 | E | 52.4 | Low | 54.9 | Low | 138 Ų | 138 | 98.5 Ų | 98.5 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 169.5 | -70.8 | 179.8 | 147.9 | 0 | 0 | 111.8 | A406 L412 A413 E414 | A406-E410 PolarHBondContact O-N 3.21Å; A406-E410 VanDerWaalsContact O-N 3.11Å; E410-L412 PolarHBondContact O-N 3.34Å; E410-A413 WeakPolarHBondContact O-CB 3.47Å; E410-A413 PolarHBondContact O-N 3.41Å; E410-E414 PolarHBondContact O-N 3.3Å |
| 411 | L | 49.6 | Very low | 53.1 | Low | 109 Ų | 109 | 97 Ų | 97 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -20.7 | 176.3 | -70.8 | 169.6 | 0 | 0 | 0 | 113.6 | M407 R408 | M407-L411 WeakPolarHBondContact O-CD1 3.46Å; R408-L411 PolarHBondContact O-N 3.36Å |
| 412 | L | 48.2 | Very low | 51.6 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 42% | 0.419 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -86.9 | -32.9 | 173.1 | -71.6 | 173.1 | 0 | 0 | 0 | 112 | R408 D409 E410 T415 L416 | R408-L412 HydrophobicContact CG-CD1 3.95Å; R408-L412 HydrophobicContact CG-CG 4.5Å; R408-L412 WeakPolarHBondContact O-CG 3.28Å; R408-L412 PolarHBondContact O-N 2.78Å; D409-L412 PolarHBondContact O-N 3.23Å; E410-L412 PolarHBondContact O-N 3.34Å; L412-T415 WeakPolarHBondContact CA-OG1 3.42Å; L412-T415 PolarHBondContact O-N 3.44Å; L412-T415 VanDerWaalsContact O-N 3.16Å; L412-T415 PolarHBondContact O-OG1 2.9Å; L412-L416 PolarHBondContact O-N 3.09Å |
| 413 | A | 49.6 | Very low | 49.7 | Very low | 60 Ų | 60 | 103.4 Ų | 103.4 | 50% | 0.496 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.1 | -42 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D409 E410 T415 L416 G417 | D409-A413 WeakPolarHBondContact O-CB 3.38Å; D409-A413 PolarHBondContact O-N 2.66Å; E410-A413 WeakPolarHBondContact O-CB 3.47Å; E410-A413 PolarHBondContact O-N 3.41Å; A413-T415 PolarHBondContact O-N 3.38Å; A413-L416 PolarHBondContact O-N 2.92Å; A413-G417 PolarHBondContact O-N 3.31Å |
| 414 | E | 44.8 | Very low | 47.8 | Very low | 146 Ų | 146 | 102.2 Ų | 102.2 | 68% | 0.682 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.5 | -36.5 | 171.5 | -71.7 | -172.2 | 140.2 | 0 | 0 | 112.4 | E410 L416 | E410-E414 PolarHBondContact O-N 3.3Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.12Å |
| 415 | T | 43.9 | Very low | 46 | Very low | 99 Ų | 99 | 105.1 Ų | 105.1 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -6.5 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 115.3 | L412 A413 | L412-T415 WeakPolarHBondContact CA-OG1 3.42Å; L412-T415 PolarHBondContact O-N 3.44Å; L412-T415 VanDerWaalsContact O-N 3.16Å; L412-T415 PolarHBondContact O-OG1 2.9Å; A413-T415 PolarHBondContact O-N 3.38Å |
| 416 | L | 38.8 | Very low | 44.4 | Very low | 153 Ų | 153 | 112 Ų | 112 | 80% | 0.801 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -16 | -177.7 | -67.9 | 176 | 0 | 0 | 0 | 114.4 | L412 A413 E414 | L412-L416 PolarHBondContact O-N 3.09Å; A413-L416 PolarHBondContact O-N 2.92Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.12Å |
| 417 | G | 38 | Very low | 43 | Very low | 61 Ų | 61 | 113.2 Ų | 113.2 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -86.7 | -0.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A413 A419 | A413-G417 PolarHBondContact O-N 3.31Å; G417-A419 PolarHBondContact O-N 3.28Å |
| 418 | G | 37.7 | Very low | 42 | Very low | 76 Ų | 76 | 116.1 Ų | 116.1 | 78% | 0.784 | 69% | 0.689 | S | S | * | * | trans | -72.5 | 30.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 419 | A | 37.4 | Very low | 41.3 | Very low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -144.4 | 138.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G417 | G417-A419 PolarHBondContact O-N 3.28Š|
| 420 | L | 34.4 | Very low | 40.4 | Very low | 178 Ų | 178 | 122.7 Ų | 122.7 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 72.7 | 63.6 | 178 | -49.6 | -178 | 0 | 0 | 0 | 117.4 | ||
| 421 | A | 32.5 | Very low | 40.2 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -164 | 121.9 | 131 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 422 | A | 43.7 | Very low | 39.5 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | -127.6 | 95.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 423 | D | 36.8 | Very low | 38.9 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -158.6 | 141 | 152.9 | -97.4 | -41.3 | 0 | 0 | 0 | 106.6 | ||||
| 424 | G | 38.7 | Very low | 38.1 | Very low | 63 Ų | 63 | 129.3 Ų | 129.3 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -112 | 167 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 425 | F | 32.2 | Very low | 37.5 | Very low | 195 Ų | 195 | 125.7 Ų | 125.7 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -155.1 | 126.9 | 148.7 | -128.1 | -92.8 | 0 | 0 | 0 | 112.5 | ||||
| 426 | H | 39.1 | Very low | 37.6 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 38.7 | 146.8 | 157.6 | -83 | -100.7 | 0 | 0 | 0 | 124.2 | ||||
| 427 | A | 39.6 | Very low | 37.9 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | -104.3 | 162.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 428 | H | 38.5 | Very low | 38.3 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | 174 | 134.1 | 137.2 | -94.1 | -53.9 | 0 | 0 | 0 | 109.6 | ||||
| 429 | R | 38.1 | Very low | 38.9 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 77 | 132.7 | 95.4 | -159.9 | 179 | 150.9 | 128.2 | 19.2 | 111.3 | |||||
| 430 | E | 34.3 | Very low | 40 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | -146.1 | 169.9 | 57.1 | -78.1 | -85.9 | 46.4 | 0 | 0 | 113.4 | |||||
| 431 | E | 48.1 | Very low | 41.5 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -82.5 | 142 | 161.9 | -64.7 | -174.4 | 107 | 0 | 0 | 111 | ||||
| 432 | G | 34.6 | Very low | 43.5 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -149.2 | 122.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 433 | N | 35.7 | Very low | 45.2 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 95% | 0.947 | 74% | 0.74 | S | S | * | * | trans | -89.8 | 153.1 | -171.5 | -176.1 | 28.6 | 0 | 0 | 0 | 113.1 | ||||
| 434 | G | 33.3 | Very low | 47 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | 101.6 | 79.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 435 | G | 32.1 | Very low | 48.9 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 70% | 0.695 | S | S | * | * | trans | 178.3 | 90.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R437 | G435-R437 PolarHBondContact O-N 2.78Š| ||
| 436 | E | 46.2 | Very low | 50.8 | Low | 208 Ų | 208 | 134.2 Ų | 134.2 | 97% | 0.972 | 69% | 0.694 | S | S | * | * | trans | -72.1 | 83.3 | -177.2 | -65.3 | -172 | 121.2 | 0 | 0 | 112.9 | ||||
| 437 | R | 44.2 | Very low | 52.3 | Low | 226 Ų | 226 | 132.3 Ų | 132.3 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -112 | 118.8 | 156.7 | -71 | -177.3 | 176 | 175.7 | -0.1 | 108.1 | G435 Q439 | G435-R437 PolarHBondContact O-N 2.78Å; R437-Q439 PolarHBondContact O-N 3.1Å | ||
| 438 | E | 48 | Very low | 53.6 | Low | 164 Ų | 164 | 130.3 Ų | 130.3 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | trans | -59.6 | 101.3 | -176.8 | -171.8 | -178 | 92.5 | 0 | 0 | 110.3 | Q440 | E438-Q440 HydrophobicContact CG-CG 4.34Å; E438-Q440 PolarHBondContact O-N 3.39Å; E438-Q440 PolarHBondContact OE1-NE2 2.97Å | ||
| 439 | Q | 50.1 | Low | 55.2 | Low | 166 Ų | 166 | 128.4 Ų | 128.4 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -71.8 | 91.2 | -179 | -63.7 | -178.1 | 17.1 | 0 | 0 | 109.3 | R437 Q441 | R437-Q439 PolarHBondContact O-N 3.1Å; Q439-Q441 PolarHBondContact O-N 3.44Å | ||
| 440 | Q | 60.1 | Low | 56.5 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | trans | -72.2 | 76.9 | -179.9 | -68.8 | -176 | -2.1 | 0 | 0 | 111 | E438 I442 | E438-Q440 HydrophobicContact CG-CG 4.34Å; E438-Q440 PolarHBondContact O-N 3.39Å; E438-Q440 PolarHBondContact OE1-NE2 2.97Å; Q440-I442 PolarHBondContact O-N 3.45Å | ||
| 441 | Q | 65.9 | Low | 58.5 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | trans | -51 | 124.8 | 177.2 | -68.3 | -179.9 | -5.5 | 0 | 0 | 110.6 | Q439 F443 | Q439-Q441 PolarHBondContact O-N 3.44Å; Q441-F443 HydrophobicContact CB-CE2 3.74Å; Q441-F443 HydrophobicContact CB-CZ 3.85Å; Q441-F443 WeakPolarHBondContact O-CD2 3.49Å; Q441-F443 WeakPolarHBondContact O-CE2 3.09Å | ||
| 442 | I | 75.1 | Confident | 60 | Low | 97 Ų | 97 | 110.9 Ų | 110.9 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -90.8 | 110.1 | -176.4 | -55.3 | -179.4 | 0 | 0 | 0 | 108.8 | Q440 T451 F453 | Q440-I442 PolarHBondContact O-N 3.45Å; I442-T451 HydrophobicContact CG2-CG2 4.47Å; I442-F453 HydrophobicContact CD1-CD1 4.49Å; I442-F453 HydrophobicContact CD1-CE1 3.97Å; I442-F453 HydrophobicContact CG1-CD1 4.01Å; I442-F453 HydrophobicContact CG1-CE1 3.97Å | ||
| 443 | F | 78.8 | Confident | 62.3 | Low | 64 Ų | 64 | 113.4 Ų | 113.4 | 28% | 0.281 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 109.5 | -179.7 | -61.9 | -87.4 | 0 | 0 | 0 | 110.1 | Q441 F452 L458 | Q441-F443 HydrophobicContact CB-CE2 3.74Å; Q441-F443 HydrophobicContact CB-CZ 3.85Å; Q441-F443 WeakPolarHBondContact O-CD2 3.49Å; Q441-F443 WeakPolarHBondContact O-CE2 3.09Å; F443-F452 WeakPolarHBondContact CB-O 3.18Å; F443-F452 PolarHBondContact N-O 3.38Å; F443-F452 PolarHBondContact O-N 3.07Å; F443-L458 HydrophobicContact CB-CB 4Å; F443-L458 HydrophobicContact CB-CD2 3.77Å; F443-L458 HydrophobicContact CB-CG 4.48Å |
| 444 | T | 75.2 | Confident | 64.2 | Low | 90 Ų | 90 | 107.5 Ų | 107.5 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 145.7 | -179.4 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | T451 L458 | T444-T451 HydrophobicContact CG2-CG2 3.86Å; T444-L458 VanDerWaalsContact O-CD2 3.27Å; T444-L458 WeakPolarHBondContact O-CD2 3.45Å |
| 445 | C | 78.4 | Confident | 66.2 | Low | 13 Ų | 13 | 106.6 Ų | 106.6 | 9% | 0.088 | 54% | 0.543 | C | S | . | . | trans | -83.3 | 125.6 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | Y447 C448 S450 F452 L458 H461 | C445-Y447 PolarHBondContact O-N 3.28Å; C445-Y447 VanDerWaalsContact O-N 3.12Å; C445-C448 WeakPolarHBondContact CB-O 3.46Å; C445-S450 WeakPolarHBondContact CB-O 3.42Å; C445-S450 PolarHBondContact N-O 3.26Å; C445-F452 HydrophobicContact CB-CE2 4.48Å; C445-L458 HydrophobicContact CB-CD1 3.6Å; C445-H461 VanDerWaalsContact SG-CD2 3.55Å; C445-H461 PolarHBondContact SG-NE2 3.25Å | ||
| 446 | K | 71.8 | Confident | 68.5 | Low | 192 Ų | 192 | 106.7 Ų | 106.7 | 84% | 0.835 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -2.8 | 178.3 | -60.6 | -165.5 | 176.1 | -167.1 | 0 | 114.6 | ||
| 447 | Y | 69.6 | Low | 70 | Confident | 126 Ų | 126 | 97.7 Ų | 97.7 | 49% | 0.494 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -6.3 | -172.7 | -55.2 | -69.5 | 0 | 0 | 0 | 114.4 | C445 H466 | C445-Y447 PolarHBondContact O-N 3.28Å; C445-Y447 VanDerWaalsContact O-N 3.12Å; Y447-H466 VanDerWaalsContact CB-CE1 3.43Å; Y447-H466 WeakPolarHBondContact CB-CE1 2.94Å; Y447-H466 WeakPolarHBondContact CB-ND1 3.32Å; Y447-H466 HydrophobicContact CD2-CB 4.39Å; Y447-H466 PolarHBondContact O-CE1 3.33Å; Y447-H466 VanDerWaalsContact O-CE1 3.31Å |
| 448 | C | 68.6 | Low | 71.7 | Confident | 38 Ų | 38 | 88.1 Ų | 88.1 | 26% | 0.257 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -165.4 | 163.4 | 171.1 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | C445 S450 H461 H466 | C445-C448 WeakPolarHBondContact CB-O 3.46Å; C448-S450 PolarHBondContact O-N 2.67Å; C448-S450 PolarHBondContact SG-OG 3.47Å; C448-H461 PolarHBondContact SG-CE1 3.16Å; C448-H461 PolarHBondContact SG-NE2 2.92Å; C448-H466 PolarHBondContact SG-NE2 2.75Å; C448-H466 VanDerWaalsContact SG-NE2 3.39Å |
| 449 | P | 70.8 | Confident | 73.2 | Confident | 130 Ų | 130 | 83.6 Ų | 83.6 | 84% | 0.844 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -76.5 | 40.1 | -174.3 | 33.4 | -38.3 | 0 | 0 | 0 | 114.3 | ||
| 450 | S | 65.8 | Low | 74.6 | Confident | 41 Ų | 41 | 84.1 Ų | 84.1 | 29% | 0.287 | 44% | 0.438 | S | S | . | . | trans | -95.3 | 129.2 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 111 | C445 C448 F452 | C445-S450 WeakPolarHBondContact CB-O 3.42Å; C445-S450 PolarHBondContact N-O 3.26Å; C448-S450 PolarHBondContact O-N 2.67Å; C448-S450 PolarHBondContact SG-OG 3.47Å; S450-F452 VanDerWaalsContact CB-CE2 3.47Å | ||
| 451 | T | 76.6 | Confident | 75.7 | Confident | 79 Ų | 79 | 79.8 Ų | 79.8 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 147.4 | 177.6 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | I442 T444 | I442-T451 HydrophobicContact CG2-CG2 4.47Å; T444-T451 HydrophobicContact CG2-CG2 3.86Å |
| 452 | F | 80.1 | Confident | 76.3 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 22% | 0.219 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 126.7 | -173.9 | -58.2 | -87.4 | 0 | 0 | 0 | 111.6 | F443 C445 S450 S454 L458 H461 | F443-F452 WeakPolarHBondContact CB-O 3.18Å; F443-F452 PolarHBondContact N-O 3.38Å; F443-F452 PolarHBondContact O-N 3.07Å; C445-F452 HydrophobicContact CB-CE2 4.48Å; S450-F452 VanDerWaalsContact CB-CE2 3.47Å; F452-S454 PolarHBondContact O-N 3.13Å; F452-L458 HydrophobicContact CB-CB 4.15Å; F452-L458 HydrophobicContact CD2-CB 3.91Å; F452-L458 HydrophobicContact CD2-CD1 3.58Å; F452-L458 HydrophobicContact CD2-CG 4.36Å; F452-L458 HydrophobicContact CE2-CD1 3.84Å; F452-L458 HydrophobicContact CG-CB 4.21Å; F452-H461 HydrophobicContact CE1-CB 3.8Å; F452-H461 HydrophobicContact CE2-CB 3.77Å; F452-H461 AromaticContact CE2-CD2 3.37Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.2Å; F452-H461 AromaticContact CE2-CG 3.53Å; F452-H461 HydrophobicContact CZ-CB 3.31Å; F452-H461 AromaticContact CZ-CD2 3.57Å; F452-H461 AromaticContact CZ-CG 3.2Å; F452-H461 AromaticContact CZ-ND1 3.71Å |
| 453 | F | 81.8 | Confident | 76.3 | Confident | 135 Ų | 135 | 75 Ų | 75 | 59% | 0.592 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -74.8 | 27 | 176.3 | -50.3 | -82.5 | 0 | 0 | 0 | 113.4 | I442 | I442-F453 HydrophobicContact CD1-CD1 4.49Å; I442-F453 HydrophobicContact CD1-CE1 3.97Å; I442-F453 HydrophobicContact CG1-CD1 4.01Å; I442-F453 HydrophobicContact CG1-CE1 3.97Å |
| 454 | S | 74.9 | Confident | 76 | Confident | 53 Ų | 53 | 80.6 Ų | 80.6 | 37% | 0.371 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -167.8 | 125 | -177.5 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | F452 P456 G457 L458 | F452-S454 PolarHBondContact O-N 3.13Å; S454-P456 WeakPolarHBondContact OG-CD 3.36Å; S454-G457 VanDerWaalsContact O-CA 3.27Å; S454-G457 WeakPolarHBondContact O-CA 3.05Å; S454-G457 PolarHBondContact O-N 3.35Å; S454-L458 PolarHBondContact O-N 2.9Å |
| 455 | S | 76.9 | Confident | 75.6 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55.7 | -48.9 | 174.6 | 162 | 0 | 0 | 0 | 0 | 112.3 | G457 L458 T459 | S455-G457 PolarHBondContact O-N 3.28Å; S455-G457 VanDerWaalsContact O-N 3.08Å; S455-L458 PolarHBondContact O-N 2.82Å; S455-T459 PolarHBondContact O-N 3.43Å; S455-T459 PolarHBondContact O-OG1 3.16Å |
| 456 | P | 79.9 | Confident | 75.3 | Confident | 74 Ų | 74 | 81 Ų | 81 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.9 | -15.2 | 169.3 | -27.7 | 35.5 | 0 | 0 | 0 | 116.1 | S454 R460 | S454-P456 WeakPolarHBondContact OG-CD 3.36Å; P456-R460 PolarHBondContact O-NE 3.47Å; P456-R460 PolarHBondContact O-NH2 2.99Å; P456-R460 VanDerWaalsContact O-NH2 3.1Å |
| 457 | G | 77.2 | Confident | 74.6 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -75.6 | -54.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S454 S455 T459 R460 H461 | S454-G457 VanDerWaalsContact O-CA 3.27Å; S454-G457 WeakPolarHBondContact O-CA 3.05Å; S454-G457 PolarHBondContact O-N 3.35Å; S455-G457 PolarHBondContact O-N 3.28Å; S455-G457 VanDerWaalsContact O-N 3.08Å; G457-T459 PolarHBondContact O-N 3.32Å; G457-R460 PolarHBondContact O-N 2.95Å; G457-H461 PolarHBondContact O-N 3.41Å |
| 458 | L | 81.2 | Confident | 74.2 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 13% | 0.126 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -55.9 | -47.7 | 176.7 | 175.9 | 62.9 | 0 | 0 | 0 | 112.3 | F443 T444 C445 F452 S454 S455 R460 H461 I462 | F443-L458 HydrophobicContact CB-CB 4Å; F443-L458 HydrophobicContact CB-CD2 3.77Å; F443-L458 HydrophobicContact CB-CG 4.48Å; T444-L458 VanDerWaalsContact O-CD2 3.27Å; T444-L458 WeakPolarHBondContact O-CD2 3.45Å; C445-L458 HydrophobicContact CB-CD1 3.6Å; F452-L458 HydrophobicContact CB-CB 4.15Å; F452-L458 HydrophobicContact CD2-CB 3.91Å; F452-L458 HydrophobicContact CD2-CD1 3.58Å; F452-L458 HydrophobicContact CD2-CG 4.36Å; F452-L458 HydrophobicContact CE2-CD1 3.84Å; F452-L458 HydrophobicContact CG-CB 4.21Å; S454-L458 PolarHBondContact O-N 2.9Å; S455-L458 PolarHBondContact O-N 2.82Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 2.79Å; L458-H461 PolarHBondContact O-N 3.37Å; L458-H461 VanDerWaalsContact O-N 3.13Å; L458-I462 HydrophobicContact CD1-CD1 3.73Å; L458-I462 HydrophobicContact CD1-CG1 3.82Å; L458-I462 HydrophobicContact CD2-CD1 4.13Å; L458-I462 HydrophobicContact CG-CD1 3.69Å; L458-I462 HydrophobicContact CG-CG1 4.17Å; L458-I462 WeakPolarHBondContact O-CB 3.47Å; L458-I462 WeakPolarHBondContact O-CG1 3.34Å; L458-I462 PolarHBondContact O-N 3.3Å |
| 459 | T | 78.9 | Confident | 73.4 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | -179.9 | -43.4 | 0 | 0 | 0 | 0 | 112.1 | S455 G457 N463 | S455-T459 PolarHBondContact O-N 3.43Å; S455-T459 PolarHBondContact O-OG1 3.16Å; G457-T459 PolarHBondContact O-N 3.32Å; T459-N463 WeakPolarHBondContact O-CB 3.42Å; T459-N463 PolarHBondContact O-N 2.86Å |
| 460 | R | 80.2 | Confident | 72.3 | Confident | 176 Ų | 176 | 82.8 Ų | 82.8 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.2 | -40.5 | 176.2 | -89.1 | 178.6 | -71.9 | -166.1 | -2.4 | 111.7 | P456 G457 L458 K464 | P456-R460 PolarHBondContact O-NE 3.47Å; P456-R460 PolarHBondContact O-NH2 2.99Å; P456-R460 VanDerWaalsContact O-NH2 3.1Å; G457-R460 PolarHBondContact O-N 2.95Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 2.79Å; R460-K464 WeakPolarHBondContact O-CB 3.43Å; R460-K464 PolarHBondContact O-N 2.91Å; R460-K464 VanDerWaalsContact O-N 3.07Å |
| 461 | H | 81.3 | Confident | 71.8 | Confident | 27 Ų | 27 | 85 Ų | 85 | 13% | 0.125 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 172.1 | 161.2 | 74.3 | 0 | 0 | 0 | 111.6 | C445 C448 F452 G457 L458 N463 K464 S465 H466 | C445-H461 VanDerWaalsContact SG-CD2 3.55Å; C445-H461 PolarHBondContact SG-NE2 3.25Å; C448-H461 PolarHBondContact SG-CE1 3.16Å; C448-H461 PolarHBondContact SG-NE2 2.92Å; F452-H461 HydrophobicContact CE1-CB 3.8Å; F452-H461 HydrophobicContact CE2-CB 3.77Å; F452-H461 AromaticContact CE2-CD2 3.37Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.2Å; F452-H461 AromaticContact CE2-CG 3.53Å; F452-H461 HydrophobicContact CZ-CB 3.31Å; F452-H461 AromaticContact CZ-CD2 3.57Å; F452-H461 AromaticContact CZ-CG 3.2Å; F452-H461 AromaticContact CZ-ND1 3.71Å; G457-H461 PolarHBondContact O-N 3.41Å; L458-H461 PolarHBondContact O-N 3.37Å; L458-H461 VanDerWaalsContact O-N 3.13Å; H461-N463 VanDerWaalsContact C-N 3.28Å; H461-N463 PolarHBondContact O-N 3.07Å; H461-K464 PolarHBondContact O-N 3.05Å; H461-S465 PolarHBondContact ND1-OG 3.19Å; H461-S465 WeakPolarHBondContact O-CB 3.45Å; H461-S465 PolarHBondContact O-N 2.78Å; H461-H466 AromaticContact CE1-NE2 4Å; H461-H466 AromaticContact NE2-CD2 3.96Å; H461-H466 AromaticContact NE2-NE2 3.68Å |
| 462 | I | 79.4 | Confident | 70.4 | Confident | 28 Ų | 28 | 89.9 Ų | 89.9 | 14% | 0.144 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -52.2 | -46.2 | 177.8 | -77.8 | 179.1 | 0 | 0 | 0 | 111.1 | L458 K464 H466 R471 | L458-I462 HydrophobicContact CD1-CD1 3.73Å; L458-I462 HydrophobicContact CD1-CG1 3.82Å; L458-I462 HydrophobicContact CD2-CD1 4.13Å; L458-I462 HydrophobicContact CG-CD1 3.69Å; L458-I462 HydrophobicContact CG-CG1 4.17Å; L458-I462 WeakPolarHBondContact O-CB 3.47Å; L458-I462 WeakPolarHBondContact O-CG1 3.34Å; L458-I462 PolarHBondContact O-N 3.3Å; I462-K464 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 3.1Å; I462-H466 CarbonylContact O-C 3.58Å; I462-H466 WeakPolarHBondContact O-CA 3.42Å; I462-H466 WeakPolarHBondContact O-CB 3.3Å; I462-H466 PolarHBondContact O-N 3.22Å; I462-H466 VanDerWaalsContact O-O 3.14Å; I462-R471 PolarHBondContact O-NH2 3.33Å |
| 463 | N | 74.4 | Confident | 68.7 | Low | 94 Ų | 94 | 94.3 Ų | 94.3 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -82.8 | -4.1 | -180 | -65.9 | -14.5 | 0 | 0 | 0 | 114.7 | T459 H461 R471 | T459-N463 WeakPolarHBondContact O-CB 3.42Å; T459-N463 PolarHBondContact O-N 2.86Å; H461-N463 VanDerWaalsContact C-N 3.28Å; H461-N463 PolarHBondContact O-N 3.07Å; N463-R471 PolarHBondContact OD1-NH1 3.06Å; N463-R471 PolarHBondContact OD1-NH2 3.24Å |
| 464 | K | 73.8 | Confident | 66.7 | Low | 182 Ų | 182 | 96.4 Ų | 96.4 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -104.4 | -33.8 | 177.8 | -173.3 | 72.5 | 172.4 | -174.4 | 0 | 112.7 | R460 H461 I462 | R460-K464 WeakPolarHBondContact O-CB 3.43Å; R460-K464 PolarHBondContact O-N 2.91Å; R460-K464 VanDerWaalsContact O-N 3.07Å; H461-K464 PolarHBondContact O-N 3.05Å; I462-K464 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 3.1Å |
| 465 | S | 67.3 | Low | 65.1 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -106.6 | -22.7 | -174.9 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | H461 | H461-S465 PolarHBondContact ND1-OG 3.19Å; H461-S465 WeakPolarHBondContact O-CB 3.45Å; H461-S465 PolarHBondContact O-N 2.78Å |
| 466 | H | 70.4 | Confident | 63.2 | Low | 44 Ų | 44 | 106.6 Ų | 106.6 | 20% | 0.204 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -128.3 | 68.1 | -179.3 | -54 | -77.8 | 0 | 0 | 0 | 110.5 | Y447 C448 H461 I462 R471 | Y447-H466 VanDerWaalsContact CB-CE1 3.43Å; Y447-H466 WeakPolarHBondContact CB-CE1 2.94Å; Y447-H466 WeakPolarHBondContact CB-ND1 3.32Å; Y447-H466 HydrophobicContact CD2-CB 4.39Å; Y447-H466 PolarHBondContact O-CE1 3.33Å; Y447-H466 VanDerWaalsContact O-CE1 3.31Å; C448-H466 PolarHBondContact SG-NE2 2.75Å; C448-H466 VanDerWaalsContact SG-NE2 3.39Å; H461-H466 AromaticContact CE1-NE2 4Å; H461-H466 AromaticContact NE2-CD2 3.96Å; H461-H466 AromaticContact NE2-NE2 3.68Å; I462-H466 CarbonylContact O-C 3.58Å; I462-H466 WeakPolarHBondContact O-CA 3.42Å; I462-H466 WeakPolarHBondContact O-CB 3.3Å; I462-H466 PolarHBondContact O-N 3.22Å; I462-H466 VanDerWaalsContact O-O 3.14Å; H466-R471 PolarHBondContact O-NH2 2.98Å |
| 467 | P | 58.6 | Low | 61.1 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | trans | -55.2 | 153.6 | 177.9 | 24.4 | -33.9 | 0 | 0 | 0 | 112.2 | E469 | P467-E469 VanDerWaalsContact C-N 3.29Å; P467-E469 PolarHBondContact O-N 3.14Å | ||
| 468 | T | 61 | Low | 59 | Low | 93 Ų | 93 | 118.7 Ų | 118.7 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -77.7 | 4.8 | -150.3 | 40.7 | 0 | 0 | 0 | 0 | 117.4 | N470 R471 | T468-N470 PolarHBondContact O-N 3.18Å; T468-R471 PolarHBondContact O-N 3.32Å |
| 469 | E | 51.7 | Low | 56.9 | Low | 179 Ų | 179 | 123.3 Ų | 123.3 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -62.8 | -39.6 | -177.1 | -162.3 | 164 | -171.6 | 0 | 0 | 112.2 | P467 R471 | P467-E469 VanDerWaalsContact C-N 3.29Å; P467-E469 PolarHBondContact O-N 3.14Å; E469-R471 VanDerWaalsContact C-N 3.34Å; E469-R471 PolarHBondContact O-N 2.78Å |
| 470 | N | 46.2 | Very low | 55.1 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -90.8 | 34.7 | 178.3 | -74.7 | -27.4 | 0 | 0 | 0 | 114.3 | T468 | T468-N470 PolarHBondContact O-N 3.18Š|
| 471 | R | 55.1 | Low | 52.7 | Low | 88 Ų | 88 | 128.7 Ų | 128.7 | 33% | 0.332 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -118.4 | 10.8 | 176.5 | -57.8 | -163.9 | -156.5 | 160.4 | 11.6 | 115 | I462 N463 H466 T468 E469 | I462-R471 PolarHBondContact O-NH2 3.33Å; N463-R471 PolarHBondContact OD1-NH1 3.06Å; N463-R471 PolarHBondContact OD1-NH2 3.24Å; H466-R471 PolarHBondContact O-NH2 2.98Å; T468-R471 PolarHBondContact O-N 3.32Å; E469-R471 VanDerWaalsContact C-N 3.34Å; E469-R471 PolarHBondContact O-N 2.78Å |
| 472 | Q | 48.1 | Very low | 51.3 | Low | 181 Ų | 181 | 136.9 Ų | 136.9 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -118.7 | 26.9 | -175.7 | -72.1 | -172.8 | -36.9 | 0 | 0 | 115.1 | ||
| 473 | V | 44.5 | Very low | 49.9 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -134.5 | 66.4 | 165.3 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 474 | M | 38.9 | Very low | 48.6 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -161.6 | 78.4 | 150 | -82.9 | -143 | 172.1 | 0 | 0 | 108.9 | ||||
| 475 | L | 42.7 | Very low | 47.2 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -70 | 129.9 | 160.5 | -82.6 | 168 | 0 | 0 | 0 | 108.1 | Q477 | L475-Q477 PolarHBondContact O-N 3.08Å; L475-Q477 VanDerWaalsContact O-N 3.1Å | ||
| 476 | L | 36.1 | Very low | 46 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 109.8 | 175.3 | -82.9 | 66.5 | 0 | 0 | 0 | 109.3 | M478 | L476-M478 HydrophobicContact CB-CG 4.17Å; L476-M478 HydrophobicContact CD2-CG 4.4Å; L476-M478 PolarHBondContact O-N 2.86Å | ||
| 477 | Q | 37.2 | Very low | 44.5 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -72.2 | 85.6 | 155.4 | -76.1 | -174.4 | -40.6 | 0 | 0 | 108.3 | L475 T479 | L475-Q477 PolarHBondContact O-N 3.08Å; L475-Q477 VanDerWaalsContact O-N 3.1Å; Q477-T479 PolarHBondContact O-N 3.42Å | ||
| 478 | M | 32.2 | Very low | 43.5 | Very low | 156 Ų | 156 | 157.6 Ų | 157.6 | 77% | 0.768 | 81% | 0.813 | S | S | * | * | trans | -72.1 | 110.4 | 166.1 | -69.8 | -169.2 | 68.9 | 0 | 0 | 108.6 | L476 V480 | L476-M478 HydrophobicContact CB-CG 4.17Å; L476-M478 HydrophobicContact CD2-CG 4.4Å; L476-M478 PolarHBondContact O-N 2.86Å; M478-V480 PolarHBondContact O-N 2.98Å; M478-V480 VanDerWaalsContact O-N 3.16Å | ||
| 479 | T | 36.8 | Very low | 42.3 | Very low | 121 Ų | 121 | 162.2 Ų | 162.2 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 104.8 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | Q477 | Q477-T479 PolarHBondContact O-N 3.42Š| ||
| 480 | V | 40.3 | Very low | 41.5 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -69.7 | 132.5 | 161.3 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | M478 | M478-V480 PolarHBondContact O-N 2.98Å; M478-V480 VanDerWaalsContact O-N 3.16Å | ||
| 481 | R | 31.4 | Very low | 41.1 | Very low | 223 Ų | 223 | 161.3 Ų | 161.3 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | -158.4 | 144.7 | 179.7 | -96 | -171.6 | 169.8 | -164.7 | -1.9 | 110.1 | ||||
| 482 | P | 50.5 | Low | 39.9 | Very low | 199 Ų | 199 | 168 Ų | 168 | 100% | 1.292 | 88% | 0.875 | S | S | * | * | cis | -91.4 | 0 | -41.3 | 2.6 | 19.2 | 0 | 0 | 0 | 111.2 |
Retrieved 482 of 482 residues in 58.1 ms
(Link to these results)