| 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 | 35.7 | Very low | 33.9 | Very low | 243 Ų | 243 | 166.3 Ų | 166.3 | 100% | 1.197 | 86% | 0.856 | S | S | * | * | 0 | 104.2 | 0 | -77.5 | -178.2 | 172 | 0 | 0 | 107.9 | |||||
| 2 | D | 26.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 172.8 Ų | 172.8 | 81% | 0.813 | 86% | 0.862 | S | S | * | * | trans | -68.7 | 147.1 | -177.8 | -81.3 | -80.5 | 0 | 0 | 0 | 113.1 | ||||
| 3 | R | 32.8 | Very low | 33 | Very low | 252 Ų | 252 | 167.4 Ų | 167.4 | 95% | 0.951 | 85% | 0.849 | S | S | * | * | trans | -111.1 | 25.5 | -172.5 | -134.4 | 175 | 177.8 | -176.4 | -1.4 | 112.5 | ||||
| 4 | S | 35.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 163.9 Ų | 163.9 | 70% | 0.699 | 84% | 0.844 | S | S | * | * | trans | -103.4 | -3.3 | -162.7 | -52.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 5 | S | 36.4 | Very low | 32.6 | Very low | 117 Ų | 117 | 168.4 Ų | 168.4 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | -108.4 | 66 | -172.8 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | L | 37.6 | Very low | 32.7 | Very low | 165 Ų | 165 | 165.4 Ų | 165.4 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -136.9 | 112.1 | 161.6 | -74.2 | 178.6 | 0 | 0 | 0 | 110.2 | ||||
| 7 | L | 37.8 | Very low | 32.5 | Very low | 148 Ų | 148 | 167.9 Ų | 167.9 | 78% | 0.775 | 85% | 0.845 | S | S | * | * | trans | -66.5 | 150.3 | 178 | -68.9 | 164.7 | 0 | 0 | 0 | 111.8 | F9 | L7-F9 PolarHBondContact O-N 2.93Å; L7-F9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | P | 36.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 162.7 Ų | 162.7 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | trans | -78.7 | 98.9 | 179.6 | 31.5 | -33.8 | 0 | 0 | 0 | 111.6 | Q10 | P8-Q10 PolarHBondContact O-N 2.85Š| ||
| 9 | F | 31.2 | Very low | 32.3 | Very low | 186 Ų | 186 | 161.5 Ų | 161.5 | 82% | 0.816 | 84% | 0.842 | S | S | * | * | trans | -67.3 | 98.4 | 165.7 | -70 | -80.2 | 0 | 0 | 0 | 110.3 | L7 L11 | L7-F9 PolarHBondContact O-N 2.93Å; L7-F9 VanDerWaalsContact O-N 3.14Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.03Å | ||
| 10 | Q | 32.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 164.2 Ų | 164.2 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -80.5 | 78.7 | -178.1 | -159.3 | 170.4 | 17.3 | 0 | 0 | 110.7 | P8 W12 | P8-Q10 PolarHBondContact O-N 2.85Å; Q10-W12 PolarHBondContact O-N 3.45Å; Q10-W12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | L | 30.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 161 Ų | 161 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -63 | 109.1 | 175 | -91.6 | 155.8 | 0 | 0 | 0 | 111 | F9 C13 | F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.03Å; L11-C13 PolarHBondContact O-N 3.35Å; L11-C13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | W | 26.3 | Very low | 31.7 | Very low | 244 Ų | 244 | 157.4 Ų | 157.4 | 92% | 0.924 | 82% | 0.815 | S | S | * | * | trans | -67.2 | 106.7 | 179.4 | -158.5 | -30.2 | 0 | 0 | 0 | 110 | Q10 | Q10-W12 PolarHBondContact O-N 3.45Å; Q10-W12 VanDerWaalsContact O-N 3.1Å | ||
| 13 | C | 30.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 157 Ų | 157 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 123.6 | 171.5 | -65 | 0 | 0 | 0 | 0 | 109.4 | L11 R15 | L11-C13 PolarHBondContact O-N 3.35Å; L11-C13 VanDerWaalsContact O-N 3.14Å; C13-R15 PolarHBondContact O-N 3.37Å |
| 14 | P | 30.1 | Very low | 31.6 | Very low | 119 Ų | 119 | 154 Ų | 154 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 120.3 | 165.8 | -6.1 | 20.9 | 0 | 0 | 0 | 108 | ||
| 15 | R | 30.2 | Very low | 31.2 | Very low | 231 Ų | 231 | 158.3 Ų | 158.3 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130 | 168.2 | -78 | -176.5 | 176.8 | 173.3 | -0.7 | 108.4 | C13 | C13-R15 PolarHBondContact O-N 3.37Š|
| 16 | P | 33.1 | Very low | 31 | Very low | 120 Ų | 120 | 164.1 Ų | 164.1 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 138.8 | 159.4 | 28.2 | -32.3 | 0 | 0 | 0 | 108.5 | G18 | P16-G18 PolarHBondContact O-N 3.45Š|
| 17 | F | 29.6 | Very low | 30.8 | Very low | 208 Ų | 208 | 161.4 Ų | 161.4 | 91% | 0.912 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 125.5 | -177.8 | -73 | -94.9 | 0 | 0 | 0 | 110.7 | T19 | F17-T19 PolarHBondContact O-N 3.15Š|
| 18 | G | 29.3 | Very low | 30.6 | Very low | 74 Ų | 74 | 160.5 Ų | 160.5 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 126.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P16 Y20 | P16-G18 PolarHBondContact O-N 3.45Å; G18-Y20 PolarHBondContact O-N 3.2Å |
| 19 | T | 31.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 160.6 Ų | 160.6 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 126.9 | 168.3 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | F17 S21 | F17-T19 PolarHBondContact O-N 3.15Å; T19-S21 PolarHBondContact O-N 3.26Å |
| 20 | Y | 24.9 | Very low | 30.2 | Very low | 214 Ų | 214 | 158.4 Ų | 158.4 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -71.4 | 97.4 | -171.5 | -151.7 | -92 | 0 | 0 | 0 | 111 | G18 Q22 | G18-Y20 PolarHBondContact O-N 3.2Å; Y20-Q22 HydrophobicContact CD1-CG 4.33Å; Y20-Q22 PolarHBondContact O-N 3.22Å | ||
| 21 | S | 31 | Very low | 30.2 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -78.3 | 108.1 | 169 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | T19 N23 | T19-S21 PolarHBondContact O-N 3.26Å; S21-N23 PolarHBondContact O-N 3.45Å; S21-N23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | Q | 31.9 | Very low | 30.1 | Very low | 166 Ų | 166 | 155 Ų | 155 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -65.2 | 110.7 | 171 | -72.4 | -174.5 | 1.8 | 0 | 0 | 109.7 | Y20 | Y20-Q22 HydrophobicContact CD1-CG 4.33Å; Y20-Q22 PolarHBondContact O-N 3.22Å | ||
| 23 | N | 28.8 | Very low | 30.3 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | trans | -127.6 | 104.1 | 159 | -97.1 | -59.9 | 0 | 0 | 0 | 107.5 | S21 Q25 | S21-N23 PolarHBondContact O-N 3.45Å; S21-N23 VanDerWaalsContact O-N 3.13Å; N23-Q25 PolarHBondContact O-N 3.41Å | ||
| 24 | Q | 29.6 | Very low | 30.4 | Very low | 190 Ų | 190 | 152.8 Ų | 152.8 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 125.5 | 171.9 | -76.7 | -176.9 | -7 | 0 | 0 | 109.5 | ||
| 25 | Q | 27.4 | Very low | 30.5 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78 | 120.6 | 168.9 | -67.3 | 176.2 | -31.8 | 0 | 0 | 109.1 | N23 | N23-Q25 PolarHBondContact O-N 3.41Š|
| 26 | R | 30.4 | Very low | 30.4 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 139.2 | 161.1 | -84.4 | -172.8 | 178 | 179.5 | 0.4 | 109.6 | ||
| 27 | P | 34.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 160.8 | 173.9 | 31.4 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 28 | P | 33 | Very low | 30 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 142.9 | -175.9 | 32.6 | -34.8 | 0 | 0 | 0 | 112.3 | ||
| 29 | S | 29.6 | Very low | 30 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -123.1 | 120.8 | 166.3 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 30 | T | 30.3 | Very low | 29.8 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -74.9 | 139.4 | -179 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 31 | A | 30.9 | Very low | 30 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | 50.5 | 123.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 32 | L | 30.1 | Very low | 29.8 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | -156.1 | 155.9 | 128 | -105.6 | 164.4 | 0 | 0 | 0 | 110.3 | |||||
| 33 | K | 30.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 137 Ų | 137 | 81% | 0.809 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 144.9 | -164.3 | -176.2 | -180 | 179.9 | -178.1 | 0 | 110.3 | ||
| 34 | P | 31.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140.8 | 177.5 | 31.2 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 35 | P | 33.8 | Very low | 29.6 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 160.1 | 166.1 | 35.1 | -32.4 | 0 | 0 | 0 | 111.6 | ||
| 36 | A | 26.2 | Very low | 30.5 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 155.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 37 | C | 27.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 18.3 | 134.4 | 155.2 | -50.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 38 | S | 28.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | -153.1 | 141.2 | 120.8 | 30.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 39 | D | 27.4 | Very low | 30 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -45.1 | 151.2 | -178.8 | -47.5 | -73.2 | 0 | 0 | 0 | 118.9 | ||||
| 40 | T | 28.5 | Very low | 30.5 | Very low | 148 Ų | 148 | 127 Ų | 127 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | -143.1 | 125.1 | 129.5 | -41.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 41 | S | 28.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 146.7 | 173.9 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 42 | G | 27.3 | Very low | 30.1 | Very low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 176.2 | 86.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 43 | G | 25.7 | Very low | 30.1 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -101.9 | 150.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 44 | T | 30.5 | Very low | 29.8 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -148.1 | 118.5 | 149.6 | -47.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 45 | E | 29.9 | Very low | 29.6 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -82.7 | 175.7 | 169.5 | -91.2 | -82 | 95.6 | 0 | 0 | 110.6 | ||||
| 46 | P | 44.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | cis | -128.7 | -174.2 | -10.8 | 32.1 | -11.4 | 0 | 0 | 0 | 112.4 | ||||
| 47 | D | 28.7 | Very low | 30 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | 161.6 | 151.2 | 101 | -151.8 | 3.8 | 0 | 0 | 0 | 114.5 | |||||
| 48 | H | 33 | Very low | 30.3 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 64.9 | 98.1 | 174.7 | -64.7 | 80.3 | 0 | 0 | 0 | 119.4 | ||||
| 49 | G | 26.8 | Very low | 30.1 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -85.5 | -153.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 50 | P | 39.8 | Very low | 30.1 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | cis | -125.2 | 178.8 | 2.2 | 41.2 | -26.4 | 0 | 0 | 0 | 114.8 | ||||
| 51 | A | 27.8 | Very low | 30 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -84 | 166.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 52 | Q | 25.7 | Very low | 30 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 144.5 | 161.2 | 152.6 | -85 | 169.2 | 83.4 | 0 | 0 | 108.9 | ||||
| 53 | S | 28.9 | Very low | 30 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | cis | 169.6 | 167.6 | -13.5 | 177.5 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 54 | E | 25.6 | Very low | 30 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 62.6 | 116.6 | 169 | -95.8 | 141 | 106.6 | 0 | 0 | 117.9 | ||||
| 55 | N | 26 | Very low | 30.1 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | 71.8 | 116.1 | 67.7 | -82.3 | -48.9 | 0 | 0 | 0 | 116.2 | |||||
| 56 | T | 29.1 | Very low | 29.8 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | 87.2 | 139.1 | 146.6 | -49.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 57 | P | 39.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -108.6 | 177.1 | -159.5 | 42.6 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 58 | P | 32.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -110.3 | 167.2 | 156.4 | 36.3 | -26.1 | 0 | 0 | 0 | 113.1 | ||||
| 59 | A | 24.8 | Very low | 28.5 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -119.5 | 170.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 60 | L | 28 | Very low | 28.6 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | 64 | 111.3 | 159.5 | -70 | 161.2 | 0 | 0 | 0 | 118.6 | ||||
| 61 | A | 25.9 | Very low | 28.1 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -142.8 | 131.8 | 131.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 62 | S | 28.3 | Very low | 27.9 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -86.1 | 139.4 | 171.7 | 50 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 63 | D | 27.1 | Very low | 28.1 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -154.3 | 142.7 | 148.5 | -102 | -35.1 | 0 | 0 | 0 | 111.4 | ||||
| 64 | T | 27.2 | Very low | 27.9 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -133.5 | 141.1 | 168.8 | -11.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 65 | P | 32.6 | Very low | 28 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | -142.4 | 176.3 | 100 | 32.3 | -14.7 | 0 | 0 | 0 | 114.5 | |||||
| 66 | A | 23.6 | Very low | 28 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -83 | 156.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 67 | S | 25.4 | Very low | 28.2 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | -167.6 | 132.9 | 119.2 | -86.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 68 | Q | 27.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | 52.4 | 113 | 141 | -55.7 | 176.7 | 9.8 | 0 | 0 | 119.6 | ||||
| 69 | H | 25.3 | Very low | 27.7 | Very low | 179 Ų | 179 | 123.6 Ų | 123.6 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | 178 | 124.6 | 106 | -95.6 | -74.2 | 0 | 0 | 0 | 110.8 | |||||
| 70 | A | 28.7 | Very low | 28 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -89.5 | 152.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 71 | P | 28.7 | Very low | 28.1 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -137.9 | 125 | 130.1 | 32.2 | -18 | 0 | 0 | 0 | 114.1 | ||||
| 72 | L | 24.7 | Very low | 28.7 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | 41.5 | 125.3 | 127.9 | -61.1 | 172.1 | 0 | 0 | 0 | 120.7 | |||||
| 73 | L | 29 | Very low | 29 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | -40.1 | 139 | 146.5 | -67.7 | 157.2 | 0 | 0 | 0 | 111.9 | ||||
| 74 | S | 25.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -141.4 | 134.5 | 157.5 | -153.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 75 | S | 28.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 136.9 | 176 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 76 | A | 24.8 | Very low | 30 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -148.4 | 79.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A78 | A76-A78 PolarHBondContact O-N 3.12Š| ||
| 77 | A | 34.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -82.1 | 102.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 78 | A | 30.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -165.7 | 122.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A76 | A76-A78 PolarHBondContact O-N 3.12Š| ||
| 79 | G | 29.3 | Very low | 31.8 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 137.6 | 21.7 | 171 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 80 | D | 31.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | -125.9 | 65.8 | 163.4 | -162.8 | -125.6 | 0 | 0 | 0 | 110.7 | R83 | D80-R83 IonicContact OD2-CZ 2.65Å; D80-R83 IonicContact OD2-NE 2.7Å; D80-R83 IonicContact OD2-NH2 3.58Å; D80-R83 PolarHBondContact OD2-NH2 3.04Å | ||
| 81 | E | 30.7 | Very low | 33.1 | Very low | 197 Ų | 197 | 130.4 Ų | 130.4 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -98 | 139.9 | 164.3 | -76.3 | -153 | 130.6 | 0 | 0 | 110.7 | ||||
| 82 | G | 39.1 | Very low | 33.9 | Very low | 70 Ų | 70 | 131.3 Ų | 131.3 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 107.9 | 4.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | V84 | G82-V84 VanDerWaalsContact C-N 3.35Å; G82-V84 PolarHBondContact O-N 3.35Å; G82-V84 VanDerWaalsContact O-N 3.14Å | ||
| 83 | R | 33.8 | Very low | 34.7 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -84.6 | 77.9 | 167.3 | -82 | -174.4 | -84.1 | -127 | -0.3 | 111.5 | D80 L85 | D80-R83 IonicContact OD2-CZ 2.65Å; D80-R83 IonicContact OD2-NE 2.7Å; D80-R83 IonicContact OD2-NH2 3.58Å; D80-R83 PolarHBondContact OD2-NH2 3.04Å; R83-L85 PolarHBondContact O-N 3.12Å | ||
| 84 | V | 37.2 | Very low | 35.1 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 62% | 0.618 | 75% | 0.748 | S | S | * | * | trans | -59 | 117.1 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | G82 L86 | G82-V84 VanDerWaalsContact C-N 3.35Å; G82-V84 PolarHBondContact O-N 3.35Å; G82-V84 VanDerWaalsContact O-N 3.14Å; V84-L86 HydrophobicContact CG1-CG 4.44Å; V84-L86 PolarHBondContact O-N 3.41Å | ||
| 85 | L | 37.1 | Very low | 36 | Very low | 155 Ų | 155 | 128 Ų | 128 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -69 | 100.2 | 168.8 | -91.1 | 158.6 | 0 | 0 | 0 | 109 | R83 D87 | R83-L85 PolarHBondContact O-N 3.12Å; L85-D87 PolarHBondContact O-N 3.46Å; L85-D87 VanDerWaalsContact O-N 3.16Å | ||
| 86 | L | 34.6 | Very low | 36.5 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 59% | 0.586 | 74% | 0.744 | S | S | * | * | trans | -80.5 | 85.3 | 174.8 | -74.4 | 163.7 | 0 | 0 | 0 | 110.1 | V84 T88 | V84-L86 HydrophobicContact CG1-CG 4.44Å; V84-L86 PolarHBondContact O-N 3.41Å; L86-T88 VanDerWaalsContact C-N 3.25Å; L86-T88 PolarHBondContact O-N 3.11Å; L86-T88 PolarHBondContact O-OG1 3.01Å; L86-T88 VanDerWaalsContact O-OG1 3.13Å | ||
| 87 | D | 38.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | trans | -64.1 | 85 | 170.4 | -81.2 | -10.5 | 0 | 0 | 0 | 110.5 | L85 W89 | L85-D87 PolarHBondContact O-N 3.46Å; L85-D87 VanDerWaalsContact O-N 3.16Å; D87-W89 VanDerWaalsContact O-CD1 3.29Å | ||
| 88 | T | 37.4 | Very low | 38.2 | Very low | 73 Ų | 73 | 135 Ų | 135 | 45% | 0.448 | 75% | 0.745 | S | S | . | * | trans | -90.8 | 109.2 | -176.5 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | L86 Y90 | L86-T88 VanDerWaalsContact C-N 3.25Å; L86-T88 PolarHBondContact O-N 3.11Å; L86-T88 PolarHBondContact O-OG1 3.01Å; L86-T88 VanDerWaalsContact O-OG1 3.13Å; T88-Y90 HydrophobicContact CG2-CE1 4.3Å; T88-Y90 HydrophobicContact CG2-CE2 4.13Å | ||
| 89 | W | 38.3 | Very low | 39 | Very low | 210 Ų | 210 | 137.8 Ų | 137.8 | 80% | 0.795 | 74% | 0.741 | S | S | * | * | trans | -103.1 | 129.1 | 179.1 | -64.9 | 84.9 | 0 | 0 | 0 | 111.5 | D87 | D87-W89 VanDerWaalsContact O-CD1 3.29Š| ||
| 90 | Y | 41.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | -100.5 | 122.4 | 176.8 | -57.9 | -84.3 | 0 | 0 | 0 | 110.6 | T88 | T88-Y90 HydrophobicContact CG2-CE1 4.3Å; T88-Y90 HydrophobicContact CG2-CE2 4.13Å | ||
| 91 | V | 39 | Very low | 40.4 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -109.6 | 91.5 | 172.1 | -177 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 92 | I | 45.3 | Very low | 40.8 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | trans | -87.1 | 110.9 | 173.6 | -56.4 | 176.1 | 0 | 0 | 0 | 108 | ||||
| 93 | K | 40.9 | Very low | 40.6 | Very low | 181 Ų | 181 | 140 Ų | 140 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | trans | -80.9 | 119.8 | 168 | -73.7 | -174.7 | 176.4 | -179.2 | 0 | 108.9 | G95 | K93-G95 PolarHBondContact O-N 3.1Š| ||
| 94 | P | 37.8 | Very low | 40.9 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 128.2 | 173 | 27.9 | -32.6 | 0 | 0 | 0 | 109.4 | ||
| 95 | G | 45.5 | Very low | 40.9 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121 | 17.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | K93 | K93-G95 PolarHBondContact O-N 3.1Š|
| 96 | N | 38.2 | Very low | 40.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | trans | -149.5 | 123 | 166.7 | -153.2 | -24.2 | 0 | 0 | 0 | 113.1 | K98 | N96-K98 PolarHBondContact O-N 3.39Š| ||
| 97 | T | 47.3 | Very low | 40.9 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -80.5 | 29.8 | -168.8 | 48.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 98 | K | 49.1 | Very low | 40.8 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -138.1 | 81.3 | 170.6 | -72.3 | -173.4 | 180 | 175.5 | 0 | 109.6 | N96 K100 | N96-K98 PolarHBondContact O-N 3.39Å; K98-K100 PolarHBondContact O-N 3.06Å |
| 99 | E | 46.2 | Very low | 40.7 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -63.3 | 123.2 | -179.2 | -63.6 | 171.2 | -171 | 0 | 0 | 111 | ||||
| 100 | K | 42 | Very low | 40.5 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -107 | 111.4 | 165.3 | -74.2 | -170.4 | 176.6 | -174.1 | 0 | 108.3 | K98 | K98-K100 PolarHBondContact O-N 3.06Š| ||
| 101 | V | 47.8 | Very low | 40.5 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 51% | 0.509 | 76% | 0.76 | S | S | . | * | trans | -84.5 | 129.2 | 173.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | F103 | V101-F103 HydrophobicContact CB-CE2 4.38Å; V101-F103 HydrophobicContact CB-CZ 4.45Å; V101-F103 HydrophobicContact CG1-CE1 4.12Å; V101-F103 HydrophobicContact CG1-CE2 3.98Å; V101-F103 HydrophobicContact CG1-CZ 3.76Å | ||
| 102 | A | 40.1 | Very low | 40.6 | Very low | 63 Ų | 63 | 130.8 Ų | 130.8 | 52% | 0.521 | 76% | 0.76 | S | S | . | * | trans | -104.6 | 135.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | F104 | A102-F104 HydrophobicContact CB-CE2 3.96Å; A102-F104 HydrophobicContact CB-CZ 4.25Å | ||
| 103 | F | 34.8 | Very low | 40.2 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | -107.9 | 127.8 | 176.3 | -59.9 | -87.2 | 0 | 0 | 0 | 108.8 | V101 | V101-F103 HydrophobicContact CB-CE2 4.38Å; V101-F103 HydrophobicContact CB-CZ 4.45Å; V101-F103 HydrophobicContact CG1-CE1 4.12Å; V101-F103 HydrophobicContact CG1-CE2 3.98Å; V101-F103 HydrophobicContact CG1-CZ 3.76Å | ||
| 104 | F | 40.9 | Very low | 40.1 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | trans | -111 | 128.6 | 173.8 | -62.3 | -83.5 | 0 | 0 | 0 | 108.4 | A102 | A102-F104 HydrophobicContact CB-CE2 3.96Å; A102-F104 HydrophobicContact CB-CZ 4.25Å | ||
| 105 | V | 36.2 | Very low | 40.1 | Very low | 91 Ų | 91 | 132 Ų | 132 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | trans | -119.4 | 111.7 | 179.8 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 106 | A | 35.9 | Very low | 39.7 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | trans | -88.3 | 108.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q108 | A106-Q108 PolarHBondContact O-N 3.36Š| ||
| 107 | H | 36.4 | Very low | 39.5 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -78.6 | 110.6 | 168.1 | -86.1 | -90.2 | 0 | 0 | 0 | 109.6 | C109 | H107-C109 PolarHBondContact O-N 3.42Š| ||
| 108 | Q | 37.2 | Very low | 38.9 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -73 | 105.3 | 161.8 | -67.9 | -166.8 | 54.7 | 0 | 0 | 108.2 | A106 | A106-Q108 PolarHBondContact O-N 3.36Š| ||
| 109 | C | 33.9 | Very low | 38.2 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -93.1 | 104 | 175.7 | -164 | 0 | 0 | 0 | 0 | 109 | H107 G111 | H107-C109 PolarHBondContact O-N 3.42Å; C109-G111 PolarHBondContact O-N 3.05Å | ||
| 110 | G | 33.8 | Very low | 37.6 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -64.3 | 127.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G112 | G110-G112 PolarHBondContact O-N 3.42Š| ||
| 111 | G | 43 | Very low | 37.3 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 92% | 0.918 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -68.5 | 116.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | C109 | C109-G111 PolarHBondContact O-N 3.05Š|
| 112 | G | 39.6 | Very low | 36.5 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 139.9 | 55 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | G110 | G110-G112 PolarHBondContact O-N 3.42Š| ||
| 113 | S | 37.6 | Very low | 36 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -165.5 | 167.6 | 140.3 | -156.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 114 | R | 38.9 | Very low | 36.2 | Very low | 235 Ų | 235 | 138.4 Ų | 138.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -64.3 | 140.3 | -170.6 | -65.6 | 176.6 | 176.5 | 172.9 | -1.7 | 112.7 | S116 | R114-S116 PolarHBondContact O-N 3.02Å; R114-S116 VanDerWaalsContact O-N 3.14Å | ||
| 115 | A | 37.8 | Very low | 35.7 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -61.5 | 113 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 116 | S | 36.5 | Very low | 35.7 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -101.8 | 103.3 | 168.6 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | R114 M118 | R114-S116 PolarHBondContact O-N 3.02Å; R114-S116 VanDerWaalsContact O-N 3.14Å; S116-M118 VanDerWaalsContact C-N 3.29Å; S116-M118 PolarHBondContact O-N 3.37Å; S116-M118 WeakPolarHBondContact OG-CG 3.21Å | ||
| 117 | S | 35.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -76.7 | 81 | 175.1 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | K119 | S117-K119 PolarHBondContact O-N 2.93Å; S117-K119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | M | 33.8 | Very low | 35.4 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 94.4 | 175.4 | -61 | -169.4 | 79 | 0 | 0 | 109.7 | S116 V120 | S116-M118 VanDerWaalsContact C-N 3.29Å; S116-M118 PolarHBondContact O-N 3.37Å; S116-M118 WeakPolarHBondContact OG-CG 3.21Å; M118-V120 PolarHBondContact O-N 2.77Å | ||
| 119 | K | 33.9 | Very low | 35.3 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 86.6 | 178.6 | -169.4 | 173.9 | -173.1 | 171.3 | 0 | 110.9 | S117 K121 | S117-K119 PolarHBondContact O-N 2.93Å; S117-K119 VanDerWaalsContact O-N 3.11Å; K119-K121 PolarHBondContact O-N 3.26Å | ||
| 120 | V | 33.5 | Very low | 35.1 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 99.8 | 173.7 | -180 | 0 | 0 | 0 | 0 | 109.1 | M118 G122 | M118-V120 PolarHBondContact O-N 2.77Å; V120-G122 PolarHBondContact O-N 3.41Å | ||
| 121 | K | 37 | Very low | 35 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -71.4 | 72 | 172.2 | -180 | 80.6 | 174.6 | -173.5 | 0 | 109.2 | K119 H123 | K119-K121 PolarHBondContact O-N 3.26Å; K121-H123 PolarHBondContact O-N 3.02Å; K121-H123 VanDerWaalsContact O-N 3.17Å | ||
| 122 | G | 31 | Very low | 34.3 | Very low | 45 Ų | 45 | 140.4 Ų | 140.4 | 46% | 0.464 | 80% | 0.795 | S | S | . | * | trans | -66.3 | 108.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | V120 W124 | V120-G122 PolarHBondContact O-N 3.41Å; G122-W124 PolarHBondContact O-N 3.42Å | ||
| 123 | H | 29 | Very low | 34.2 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 90.3 | 172.7 | 172.8 | -84.5 | 0 | 0 | 0 | 109.8 | K121 G125 | K121-H123 PolarHBondContact O-N 3.02Å; K121-H123 VanDerWaalsContact O-N 3.17Å; H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 PolarHBondContact O-N 2.92Å | ||
| 124 | W | 39.6 | Very low | 34.2 | Very low | 251 Ų | 251 | 151.5 Ų | 151.5 | 95% | 0.951 | 79% | 0.794 | S | S | * | * | trans | -93.2 | 60.3 | 165.4 | -68.2 | 107.2 | 0 | 0 | 0 | 110 | G122 | G122-W124 PolarHBondContact O-N 3.42Š| ||
| 125 | G | 30.8 | Very low | 33.9 | Very low | 41 Ų | 41 | 150.6 Ų | 150.6 | 42% | 0.423 | 79% | 0.791 | S | S | . | * | trans | -88 | 129.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H123 | H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 PolarHBondContact O-N 2.92Å | ||
| 126 | S | 35.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -42.9 | 127.3 | -176.9 | -53.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 127 | D | 27.9 | Very low | 33.5 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -140.3 | 81.1 | 152.4 | -112.2 | -32.8 | 0 | 0 | 0 | 110.6 | S129 | D127-S129 PolarHBondContact O-N 3.14Š| ||
| 128 | S | 38.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 160.1 Ų | 160.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 79.6 | -174.9 | 52 | 0 | 0 | 0 | 0 | 112.8 | K130 | S128-K130 PolarHBondContact O-N 3.43Š| ||
| 129 | S | 33.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -93.9 | 84.6 | -177.7 | -148.5 | 0 | 0 | 0 | 0 | 114.8 | D127 | D127-S129 PolarHBondContact O-N 3.14Š| ||
| 130 | K | 30.4 | Very low | 33.3 | Very low | 194 Ų | 194 | 155.8 Ų | 155.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 37 | 97.8 | 150.8 | -69.3 | 169.4 | -179.3 | 160.3 | 0 | 119.3 | S128 | S128-K130 PolarHBondContact O-N 3.43Š| ||
| 131 | A | 32.2 | Very low | 33.1 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 132.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R133 | A131-R133 PolarHBondContact O-N 3.05Š| ||
| 132 | K | 28.3 | Very low | 32.7 | Very low | 196 Ų | 196 | 156 Ų | 156 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -88.3 | 102.9 | -171.8 | -169.6 | 161.7 | -176.6 | 168.9 | 0 | 113.3 | ||||
| 133 | R | 36.3 | Very low | 32.7 | Very low | 222 Ų | 222 | 157.9 Ų | 157.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -80.8 | 114.1 | 174.2 | 179.7 | -172.9 | -173.8 | -113.4 | 5.3 | 113 | A131 | A131-R133 PolarHBondContact O-N 3.05Š| ||
| 134 | R | 38.2 | Very low | 33.2 | Very low | 213 Ų | 213 | 156 Ų | 156 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -157.7 | 145.5 | 152.9 | -68.8 | -165.5 | 175.2 | -154 | -1.5 | 109.3 | ||||
| 135 | R | 32.9 | Very low | 33.3 | Very low | 216 Ų | 216 | 150.1 Ų | 150.1 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | cis | -161.5 | 145.5 | -27.4 | -110.1 | -174.6 | -170.9 | -109.1 | 5.6 | 104.9 | ||||
| 136 | R | 38.7 | Very low | 33.3 | Very low | 246 Ų | 246 | 154.5 Ų | 154.5 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 147.6 | 165.6 | -73.9 | -170.9 | -177.4 | -154.9 | 1.5 | 110.5 | ||||
| 137 | C | 28.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 155 Ų | 155 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 155.8 | 150.1 | 163.6 | -85.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 138 | L | 30.8 | Very low | 33.5 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | cis | -157.7 | 171.9 | -9.2 | -116.1 | 169.6 | 0 | 0 | 0 | 109.6 | ||||
| 139 | E | 29.9 | Very low | 33 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | -136.6 | 164.8 | 169.9 | -89.8 | -74.1 | 162.4 | 0 | 0 | 106.7 | ||||
| 140 | P | 37.8 | Very low | 33 | Very low | 99 Ų | 99 | 154.8 Ų | 154.8 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | cis | -137.2 | -171.7 | -3.1 | 40.5 | -21.3 | 0 | 0 | 0 | 115.9 | ||||
| 141 | T | 27.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 77.4 | 116.9 | 150.8 | -59.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 142 | K | 28.3 | Very low | 32.6 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | -167.5 | 140.1 | 127 | -114.5 | -174.5 | -179.5 | -173.3 | 0 | 114.3 | |||||
| 143 | A | 32.2 | Very low | 32.8 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -124.4 | -169 | 163 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 144 | P | 38.7 | Very low | 33 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | cis | -103.6 | -121.8 | -7.3 | 29.8 | -7.3 | 0 | 0 | 0 | 110.3 | ||||
| 145 | P | 41.2 | Very low | 32.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | cis | -101.4 | -178.7 | 14.5 | 41.9 | -37.9 | 0 | 0 | 0 | 115.4 | ||||
| 146 | D | 31.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -145.2 | 143.3 | 170.9 | 170.2 | 47.1 | 0 | 0 | 0 | 108 | ||||
| 147 | P | 40.1 | Very low | 32.4 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -107.5 | 83.9 | 169.8 | 36.1 | -25.8 | 0 | 0 | 0 | 111.8 | ||||
| 148 | G | 28.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -69.1 | -169.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 149 | G | 28.4 | Very low | 32.7 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 164.2 | 99.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 150 | R | 31.8 | Very low | 33.3 | Very low | 252 Ų | 252 | 118.3 Ų | 118.3 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | 58 | 118.7 | 151.6 | -75.6 | 178.3 | 169.2 | -103.8 | -1.2 | 120.1 | ||||
| 151 | G | 28.2 | Very low | 33 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -69.9 | 174 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 152 | G | 26.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 165 | 117.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 153 | A | 32.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -98.3 | 149.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 154 | P | 40.8 | Very low | 33.4 | Very low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -147.4 | -174.3 | 75.4 | 38.1 | -18.2 | 0 | 0 | 0 | 115.4 | |||||
| 155 | A | 32 | Very low | 33.3 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | 6 | 155.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 156 | T | 31.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | cis | -169.6 | 152.1 | 39.1 | -15.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 157 | E | 33.9 | Very low | 34.3 | Very low | 187 Ų | 187 | 116.6 Ų | 116.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 51.8 | 134.3 | 149.7 | -59.2 | -72.9 | 98.5 | 0 | 0 | 121.5 | ||||
| 158 | G | 30 | Very low | 35.4 | Very low | 74 Ų | 74 | 117 Ų | 117 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -175.9 | -18.2 | 175 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 159 | A | 34.6 | Very low | 37.2 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | 60.6 | -176.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 160 | P | 42.9 | Very low | 39.5 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | -129.3 | 167.7 | -114.2 | 32 | -9.7 | 0 | 0 | 0 | 117.5 | |||||
| 161 | T | 30.7 | Very low | 41.9 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 51.3 | 110.8 | 150.8 | 52.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 162 | T | 30.9 | Very low | 44.2 | Very low | 144 Ų | 144 | 114.4 Ų | 114.4 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | -134.8 | 120 | 108.5 | 36.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 163 | S | 33.2 | Very low | 46.7 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 126.5 | 166.4 | 43.8 | 0 | 0 | 0 | 0 | 108.2 | D165 | S163-D165 PolarHBondContact O-N 3.36Š| ||
| 164 | G | 32.3 | Very low | 49.3 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | trans | -65.6 | 123.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | D166 | G164-D166 PolarHBondContact O-N 3.11Å; G164-D166 VanDerWaalsContact O-N 3.08Å | ||
| 165 | D | 37.3 | Very low | 51.6 | Low | 150 Ų | 150 | 113.4 Ų | 113.4 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | -54.3 | 115 | 170 | -76.4 | -75.2 | 0 | 0 | 0 | 108.9 | S163 V167 | S163-D165 PolarHBondContact O-N 3.36Å; D165-V167 PolarHBondContact O-N 3.21Å; D165-V167 VanDerWaalsContact O-N 3.12Å | ||
| 166 | D | 45.3 | Very low | 54.2 | Low | 148 Ų | 148 | 112.9 Ų | 112.9 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -63.5 | 111.8 | 163.5 | -156.7 | -83.9 | 0 | 0 | 0 | 105.7 | G164 D168 | G164-D166 PolarHBondContact O-N 3.11Å; G164-D166 VanDerWaalsContact O-N 3.08Å; D166-D168 PolarHBondContact O-N 3.27Å | ||
| 167 | V | 49.5 | Very low | 56.9 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | trans | -72.9 | 89.6 | -175.5 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | D165 L169 | D165-V167 PolarHBondContact O-N 3.21Å; D165-V167 VanDerWaalsContact O-N 3.12Å; V167-L169 WeakPolarHBondContact O-CG 3.35Å; V167-L169 PolarHBondContact O-N 2.94Å | ||
| 168 | D | 63.1 | Low | 59.4 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | trans | -47.8 | 108.1 | -170.4 | -156.4 | 2.3 | 0 | 0 | 0 | 110.5 | D166 L170 | D166-D168 PolarHBondContact O-N 3.27Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.58Å | ||
| 169 | L | 66.4 | Low | 62.4 | Low | 157 Ų | 157 | 104.5 Ų | 104.5 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | trans | -79.2 | 78.3 | -168.8 | -69.8 | 178.6 | 0 | 0 | 0 | 109.4 | V167 S171 | V167-L169 WeakPolarHBondContact O-CG 3.35Å; V167-L169 PolarHBondContact O-N 2.94Å; L169-S171 PolarHBondContact O-N 3.49Å | ||
| 170 | L | 75.9 | Confident | 65 | Low | 92 Ų | 92 | 105.9 Ų | 105.9 | 48% | 0.482 | 63% | 0.632 | S | S | . | * | trans | -39.5 | 123.3 | -179.4 | -67.7 | 176.5 | 0 | 0 | 0 | 111.8 | D168 L178 | D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.58Å; L170-L178 HydrophobicContact CD1-CD1 4.13Å | ||
| 171 | S | 83.4 | Confident | 67 | Low | 64 Ų | 64 | 106.4 Ų | 106.4 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | trans | -60.2 | 151.4 | 179.1 | -180 | 0 | 0 | 0 | 0 | 110.7 | L169 A173 E174 M175 | L169-S171 PolarHBondContact O-N 3.49Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 VanDerWaalsContact O-N 3.11Å; S171-E174 WeakPolarHBondContact CB-OE2 3.38Å; S171-E174 PolarHBondContact N-OE2 3.35Å; S171-E174 PolarHBondContact O-N 3.33Å; S171-M175 PolarHBondContact O-N 3.26Å | ||
| 172 | V | 75.8 | Confident | 69.5 | Low | 113 Ų | 113 | 109 Ų | 109 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54.5 | -34 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V176 | V172-V176 WeakPolarHBondContact O-CG2 3.36Å; V172-V176 PolarHBondContact O-N 3.47Å |
| 173 | A | 78.6 | Confident | 72 | Confident | 70 Ų | 70 | 104.5 Ų | 104.5 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.8 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S171 V176 A177 | S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 VanDerWaalsContact O-N 3.11Å; A173-V176 PolarHBondContact O-N 3.03Å; A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.01Å |
| 174 | E | 87 | Confident | 74.2 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.9 | -37.1 | 178.9 | -63.5 | 170 | 132.9 | 0 | 0 | 111.2 | S171 A177 L178 | S171-E174 WeakPolarHBondContact CB-OE2 3.38Å; S171-E174 PolarHBondContact N-OE2 3.35Å; S171-E174 PolarHBondContact O-N 3.33Å; E174-A177 PolarHBondContact O-N 3.35Å; E174-L178 WeakPolarHBondContact O-CB 3.41Å; E174-L178 WeakPolarHBondContact O-CG 3.47Å; E174-L178 PolarHBondContact O-N 3.44Å |
| 175 | M | 89.1 | Confident | 76.4 | Confident | 114 Ų | 114 | 103 Ų | 103 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -42.7 | 173.8 | -165.3 | -173.7 | -54.8 | 0 | 0 | 111.7 | S171 V179 | S171-M175 PolarHBondContact O-N 3.26Å; M175-V179 WeakPolarHBondContact O-CG2 3.36Å; M175-V179 PolarHBondContact O-N 2.87Å; M175-V179 VanDerWaalsContact O-N 3.15Å |
| 176 | V | 87.9 | Confident | 78.1 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 44% | 0.442 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -47.1 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | V172 A173 L178 V179 E180 | V172-V176 WeakPolarHBondContact O-CG2 3.36Å; V172-V176 PolarHBondContact O-N 3.47Å; A173-V176 PolarHBondContact O-N 3.03Å; V176-L178 VanDerWaalsContact C-N 3.31Å; V176-L178 PolarHBondContact O-N 3.04Å; V176-V179 PolarHBondContact O-N 2.92Å; V176-E180 HydrophobicContact CG1-CG 4.3Å; V176-E180 PolarHBondContact O-N 3.26Å |
| 177 | A | 88.2 | Confident | 79.3 | Confident | 49 Ų | 49 | 97.7 Ų | 97.7 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A173 E174 E180 Q181 | A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.01Å; E174-A177 PolarHBondContact O-N 3.35Å; A177-E180 PolarHBondContact O-N 3Å; A177-Q181 VanDerWaalsContact O-CB 3.22Å; A177-Q181 WeakPolarHBondContact O-CB 3.25Å; A177-Q181 PolarHBondContact O-N 3.32Å |
| 178 | L | 86.2 | Confident | 80.1 | Confident | 64 Ų | 64 | 99.4 Ų | 99.4 | 34% | 0.335 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 175.7 | -76 | 168.1 | 0 | 0 | 0 | 113.1 | L170 E174 V176 R182 | L170-L178 HydrophobicContact CD1-CD1 4.13Å; E174-L178 WeakPolarHBondContact O-CB 3.41Å; E174-L178 WeakPolarHBondContact O-CG 3.47Å; E174-L178 PolarHBondContact O-N 3.44Å; V176-L178 VanDerWaalsContact C-N 3.31Å; V176-L178 PolarHBondContact O-N 3.04Å; L178-R182 WeakPolarHBondContact O-CB 3.39Å; L178-R182 VanDerWaalsContact O-CG 3.24Å; L178-R182 WeakPolarHBondContact O-CG 3.38Å; L178-R182 PolarHBondContact O-N 3.12Å; L178-R182 VanDerWaalsContact O-N 3.12Å |
| 179 | V | 91.5 | Very high | 80.2 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.7 | -45.5 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | M175 V176 R182 A183 | M175-V179 WeakPolarHBondContact O-CG2 3.36Å; M175-V179 PolarHBondContact O-N 2.87Å; M175-V179 VanDerWaalsContact O-N 3.15Å; V176-V179 PolarHBondContact O-N 2.92Å; V179-R182 PolarHBondContact O-N 3.45Å; V179-A183 WeakPolarHBondContact O-CB 3.45Å; V179-A183 PolarHBondContact O-N 3.44Å |
| 180 | E | 90.2 | Very high | 79.2 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.8 | -70.1 | -177.2 | 162.5 | 0 | 0 | 111.7 | V176 A177 R182 A183 A184 | V176-E180 HydrophobicContact CG1-CG 4.3Å; V176-E180 PolarHBondContact O-N 3.26Å; A177-E180 PolarHBondContact O-N 3Å; E180-R182 PolarHBondContact O-N 2.86Å; E180-A183 PolarHBondContact O-N 3.48Å; E180-A184 WeakPolarHBondContact O-CB 3.32Å; E180-A184 PolarHBondContact O-N 2.79Å |
| 181 | Q | 84.4 | Confident | 77.7 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60 | -43.6 | 174.9 | -172.4 | -178.3 | 16 | 0 | 0 | 111.9 | A177 A184 L185 | A177-Q181 VanDerWaalsContact O-CB 3.22Å; A177-Q181 WeakPolarHBondContact O-CB 3.25Å; A177-Q181 PolarHBondContact O-N 3.32Å; Q181-A184 PolarHBondContact O-N 2.81Å; Q181-L185 HydrophobicContact CG-CD1 4.43Å; Q181-L185 WeakPolarHBondContact O-CG 3.43Å; Q181-L185 PolarHBondContact O-N 2.8Å |
| 182 | R | 84.1 | Confident | 75.8 | Confident | 181 Ų | 181 | 108 Ų | 108 | 68% | 0.683 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.7 | -37.9 | 176.3 | -74 | 173.5 | -175.3 | -179.3 | 3.9 | 112.4 | L178 V179 E180 L185 A186 | L178-R182 WeakPolarHBondContact O-CB 3.39Å; L178-R182 VanDerWaalsContact O-CG 3.24Å; L178-R182 WeakPolarHBondContact O-CG 3.38Å; L178-R182 PolarHBondContact O-N 3.12Å; L178-R182 VanDerWaalsContact O-N 3.12Å; V179-R182 PolarHBondContact O-N 3.45Å; E180-R182 PolarHBondContact O-N 2.86Å; R182-L185 PolarHBondContact O-N 3.45Å; R182-A186 WeakPolarHBondContact O-CB 3.35Å; R182-A186 PolarHBondContact O-N 3.08Å |
| 183 | A | 83.1 | Confident | 73.8 | Confident | 49 Ų | 49 | 108.5 Ų | 108.5 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.4 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V179 E180 L185 A186 L187 | V179-A183 WeakPolarHBondContact O-CB 3.45Å; V179-A183 PolarHBondContact O-N 3.44Å; E180-A183 PolarHBondContact O-N 3.48Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 3.34Å; A183-A186 PolarHBondContact O-N 3.31Å; A183-L187 WeakPolarHBondContact O-CG 3.4Å; A183-L187 PolarHBondContact O-N 3.09Å |
| 184 | A | 79.1 | Confident | 71.8 | Confident | 47 Ų | 47 | 110.9 Ų | 110.9 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.2 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E180 Q181 Q188 | E180-A184 WeakPolarHBondContact O-CB 3.32Å; E180-A184 PolarHBondContact O-N 2.79Å; Q181-A184 PolarHBondContact O-N 2.81Å; A184-Q188 WeakPolarHBondContact O-CG 3.13Å; A184-Q188 PolarHBondContact O-N 2.94Å; A184-Q188 PolarHBondContact O-NE2 3.36Å |
| 185 | L | 77.8 | Confident | 69.3 | Low | 101 Ų | 101 | 112.8 Ų | 112.8 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.6 | -39.1 | 173.9 | -70.4 | 170.6 | 0 | 0 | 0 | 112.3 | Q181 R182 A183 L187 Q188 S189 | Q181-L185 HydrophobicContact CG-CD1 4.43Å; Q181-L185 WeakPolarHBondContact O-CG 3.43Å; Q181-L185 PolarHBondContact O-N 2.8Å; R182-L185 PolarHBondContact O-N 3.45Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 3.34Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 PolarHBondContact O-N 3.23Å; L185-Q188 PolarHBondContact O-N 3.36Å; L185-Q188 VanDerWaalsContact O-N 3.12Å; L185-S189 PolarHBondContact O-N 3.2Å |
| 186 | A | 73.3 | Confident | 67 | Low | 48 Ų | 48 | 116.5 Ų | 116.5 | 40% | 0.397 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.5 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R182 A183 Q188 S189 Y190 | R182-A186 WeakPolarHBondContact O-CB 3.35Å; R182-A186 PolarHBondContact O-N 3.08Å; A183-A186 PolarHBondContact O-N 3.31Å; A186-Q188 VanDerWaalsContact C-N 3.29Å; A186-Q188 PolarHBondContact O-N 2.78Å; A186-S189 PolarHBondContact O-N 3.06Å; A186-S189 PolarHBondContact O-OG 3.15Å; A186-Y190 WeakPolarHBondContact O-CD2 3.32Å |
| 187 | L | 71.4 | Confident | 64.2 | Low | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68 | -24.9 | 175.3 | -69.7 | 171.8 | 0 | 0 | 0 | 113.6 | A183 L185 | A183-L187 WeakPolarHBondContact O-CG 3.4Å; A183-L187 PolarHBondContact O-N 3.09Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 PolarHBondContact O-N 3.23Å |
| 188 | Q | 65.8 | Low | 61.9 | Low | 152 Ų | 152 | 121 Ų | 121 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -82.6 | -13.8 | 174.7 | -73.1 | 171.4 | 80.8 | 0 | 0 | 113.4 | A184 L185 A186 | A184-Q188 WeakPolarHBondContact O-CG 3.13Å; A184-Q188 PolarHBondContact O-N 2.94Å; A184-Q188 PolarHBondContact O-NE2 3.36Å; L185-Q188 PolarHBondContact O-N 3.36Å; L185-Q188 VanDerWaalsContact O-N 3.12Å; A186-Q188 VanDerWaalsContact C-N 3.29Å; A186-Q188 PolarHBondContact O-N 2.78Å |
| 189 | S | 64.3 | Low | 59.5 | Low | 88 Ų | 88 | 124.3 Ų | 124.3 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -91 | -3.1 | -177.5 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | L185 A186 P191 | L185-S189 PolarHBondContact O-N 3.2Å; A186-S189 PolarHBondContact O-N 3.06Å; A186-S189 PolarHBondContact O-OG 3.15Å; S189-P191 WeakPolarHBondContact O-CD 3.39Å |
| 190 | Y | 46.1 | Very low | 56.7 | Low | 186 Ų | 186 | 125.7 Ų | 125.7 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -85.6 | 116.5 | 175.1 | -84 | -88.2 | 0 | 0 | 0 | 111.6 | A186 R192 | A186-Y190 WeakPolarHBondContact O-CD2 3.32Å; Y190-R192 PolarHBondContact O-N 2.9Å |
| 191 | P | 45.6 | Very low | 53.8 | Low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -67.7 | 125.5 | 168.6 | 28.4 | -32.7 | 0 | 0 | 0 | 109.6 | S189 S193 | S189-P191 WeakPolarHBondContact O-CD 3.39Å; P191-S193 PolarHBondContact O-N 3.35Å | ||
| 192 | R | 43.6 | Very low | 51.3 | Low | 240 Ų | 240 | 129.5 Ų | 129.5 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | trans | -76.3 | 92.6 | -178.8 | -158.8 | 176.8 | -165.9 | 168.6 | 3.3 | 109.8 | Y190 T194 | Y190-R192 PolarHBondContact O-N 2.9Å; R192-T194 PolarHBondContact O-N 2.95Å | ||
| 193 | S | 32.6 | Very low | 48.7 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | -72 | 85.1 | -179.5 | 43.9 | 0 | 0 | 0 | 0 | 112.3 | P191 | P191-S193 PolarHBondContact O-N 3.35Š| ||
| 194 | T | 37.6 | Very low | 46.1 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -78.8 | 143.4 | 162 | -13.7 | 0 | 0 | 0 | 0 | 109.9 | R192 | R192-T194 PolarHBondContact O-N 2.95Š| ||
| 195 | T | 32.7 | Very low | 43.8 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | 113.8 | 123.3 | 167.8 | -45.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 196 | Q | 42.6 | Very low | 41.5 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -79.6 | 150.3 | 175.6 | -64.2 | 168.9 | -22.9 | 0 | 0 | 110.6 | ||||
| 197 | A | 28.7 | Very low | 39.2 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -133.2 | 145.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 198 | P | 39.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -88.2 | 162.7 | -164.7 | 35.2 | -36.9 | 0 | 0 | 0 | 114.4 | ||||
| 199 | V | 34.8 | Very low | 36.4 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 134.2 | 178.8 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 200 | V | 33.1 | Very low | 34.8 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -111 | 122.6 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 201 | F | 28.9 | Very low | 34.2 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -83.9 | 145.4 | 169.1 | -101.7 | -103.2 | 0 | 0 | 0 | 110.4 | ||||
| 202 | V | 32 | Very low | 33.4 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -126.1 | 118.8 | 163.5 | 178.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 203 | S | 30.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -112.2 | 145.2 | 168.7 | -158.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 204 | A | 28.8 | Very low | 32.7 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -149 | 126.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 205 | E | 29.8 | Very low | 32.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 70% | 0.696 | 83% | 0.827 | S | S | * | * | trans | -118.7 | 150.4 | -173.4 | -57 | -158.1 | 159.5 | 0 | 0 | 112.4 | ||||
| 206 | Q | 30 | Very low | 32.7 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | 65.4 | 135.2 | 149.9 | -66.4 | 170.4 | 43.1 | 0 | 0 | 121.1 | ||||
| 207 | G | 25.1 | Very low | 32.4 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 156.7 | 97.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 208 | A | 29.9 | Very low | 32.8 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -127.7 | -174.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 209 | P | 47.7 | Very low | 33.1 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | cis | -126.5 | 170.3 | -35 | 35.2 | -20.1 | 0 | 0 | 0 | 113 | ||||
| 210 | A | 31.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -148.5 | 140.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 211 | K | 33.8 | Very low | 33.6 | Very low | 220 Ų | 220 | 135.5 Ų | 135.5 | 96% | 0.957 | 83% | 0.828 | S | S | * | * | trans | -85.5 | 147.6 | -179.2 | -67.2 | 175 | 175.7 | 176 | 0 | 111.7 | ||||
| 212 | G | 28.7 | Very low | 34.5 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 158.5 | 100.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 213 | L | 32.2 | Very low | 35.4 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | 36.2 | 121.6 | 150.6 | -103.6 | 64.5 | 0 | 0 | 0 | 121.3 | ||||
| 214 | G | 28.6 | Very low | 36.2 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | 112.5 | 113.4 | 120.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 215 | S | 33.2 | Very low | 37.6 | Very low | 136 Ų | 136 | 128 Ų | 128 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | 77.9 | 155.7 | 152.1 | -147.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 216 | E | 36.9 | Very low | 39.2 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 159 | -153.7 | -124 | -177.8 | 79.2 | 0 | 0 | 114.4 | ||||
| 217 | R | 37 | Very low | 40.8 | Very low | 220 Ų | 220 | 126 Ų | 126 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 75.1 | 94.8 | 160.4 | -63.1 | 171.6 | -154.5 | -139.4 | -0.9 | 119.5 | ||||
| 218 | R | 36.3 | Very low | 42.7 | Very low | 241 Ų | 241 | 125.1 Ų | 125.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -75.1 | 145.7 | 145.2 | -53.1 | -179 | 174.2 | -151.4 | -2.4 | 108.1 | ||||
| 219 | S | 46 | Very low | 44.3 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | cis | 62.5 | 106.9 | 48.4 | -157.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 220 | G | 33.7 | Very low | 45.1 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | trans | -158.7 | 82.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 221 | G | 44.8 | Very low | 46.7 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | -143.1 | 45.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 222 | G | 47.8 | Very low | 48.4 | Very low | 47 Ų | 47 | 114.2 Ų | 114.2 | 49% | 0.485 | 70% | 0.699 | S | S | . | * | trans | -93.6 | -34.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 223 | D | 49.7 | Very low | 49.7 | Very low | 130 Ų | 130 | 116.2 Ų | 116.2 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -86.1 | -29.9 | -162.8 | -54.3 | -54.2 | 0 | 0 | 0 | 113.9 | S225 R226 | D223-S225 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 3.33Å; D223-R226 PolarHBondContact O-N 2.89Å |
| 224 | C | 49.5 | Very low | 51.2 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -64 | -31.8 | -179.4 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | A228 | C224-A228 PolarHBondContact O-N 3.14Å |
| 225 | S | 58.2 | Low | 52.7 | Low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.5 | -38.9 | -177.2 | -157.3 | 0 | 0 | 0 | 0 | 112.3 | D223 V227 A228 E229 | D223-S225 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 3.33Å; S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 2.89Å; S225-A228 PolarHBondContact O-N 3.38Å; S225-E229 WeakPolarHBondContact O-CB 3.44Å; S225-E229 PolarHBondContact O-N 3.45Å |
| 226 | R | 62.1 | Low | 53.8 | Low | 193 Ų | 193 | 114 Ų | 114 | 73% | 0.728 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.4 | -33.3 | 178.1 | -74.1 | -177.7 | 172.7 | -177.7 | -2.5 | 112.7 | D223 A230 | D223-R226 PolarHBondContact O-N 2.89Å; R226-A230 WeakPolarHBondContact O-CB 3.48Å; R226-A230 PolarHBondContact O-N 3.35Å |
| 227 | V | 63.5 | Low | 54.3 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.2 | -40.9 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | S225 A230 V231 | S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 2.89Å; V227-A230 PolarHBondContact O-N 3.03Å; V227-V231 WeakPolarHBondContact O-CG2 3.24Å; V227-V231 PolarHBondContact O-N 3.29Å |
| 228 | A | 65.7 | Low | 54.8 | Low | 64 Ų | 64 | 112.5 Ų | 112.5 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.5 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C224 S225 V231 A232 | C224-A228 PolarHBondContact O-N 3.14Å; S225-A228 PolarHBondContact O-N 3.38Å; A228-V231 PolarHBondContact O-N 2.81Å; A228-A232 PolarHBondContact O-N 2.77Å |
| 229 | E | 63.5 | Low | 55 | Low | 139 Ų | 139 | 107.9 Ų | 107.9 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.7 | -41.5 | 177.3 | -169.6 | 173.3 | -163.2 | 0 | 0 | 112.2 | S225 A232 H233 | S225-E229 WeakPolarHBondContact O-CB 3.44Å; S225-E229 PolarHBondContact O-N 3.45Å; E229-A232 PolarHBondContact O-N 2.85Å; E229-H233 PolarHBondContact O-N 3.37Å |
| 230 | A | 64.3 | Low | 54.7 | Low | 48 Ų | 48 | 106 Ų | 106 | 40% | 0.397 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.5 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R226 V227 H233 F234 | R226-A230 WeakPolarHBondContact O-CB 3.48Å; R226-A230 PolarHBondContact O-N 3.35Å; V227-A230 PolarHBondContact O-N 3.03Å; A230-H233 PolarHBondContact O-N 2.83Å; A230-F234 VanDerWaalsContact O-CD2 3.25Å; A230-F234 WeakPolarHBondContact O-CD2 3.22Å; A230-F234 PolarHBondContact O-N 3.47Å; A230-F234 VanDerWaalsContact O-N 3.11Å |
| 231 | V | 65.7 | Low | 55.1 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.6 | -44.6 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | V227 A228 H233 F234 E235 | V227-V231 WeakPolarHBondContact O-CG2 3.24Å; V227-V231 PolarHBondContact O-N 3.29Å; A228-V231 PolarHBondContact O-N 2.81Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H233 PolarHBondContact O-N 3.4Å; V231-F234 PolarHBondContact O-N 3.23Å; V231-F234 VanDerWaalsContact O-N 3.1Å; V231-E235 PolarHBondContact O-N 3.39Å |
| 232 | A | 68.3 | Low | 54.8 | Low | 57 Ų | 57 | 110.2 Ų | 110.2 | 47% | 0.471 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.1 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A228 E229 E235 A236 | A228-A232 PolarHBondContact O-N 2.77Å; E229-A232 PolarHBondContact O-N 2.85Å; A232-E235 PolarHBondContact O-N 3.05Å; A232-A236 WeakPolarHBondContact O-CB 3.25Å; A232-A236 PolarHBondContact O-N 3.34Å |
| 233 | H | 57.7 | Low | 54.2 | Low | 118 Ų | 118 | 114.6 Ų | 114.6 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 174.4 | -169.5 | -69.9 | 0 | 0 | 0 | 112.2 | E229 A230 V231 Q237 | E229-H233 PolarHBondContact O-N 3.37Å; A230-H233 PolarHBondContact O-N 2.83Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H233 PolarHBondContact O-N 3.4Å; H233-Q237 PolarHBondContact CE1-OE1 2.83Å; H233-Q237 PolarHBondContact ND1-OE1 3.5Å; H233-Q237 WeakPolarHBondContact O-CB 3.33Å; H233-Q237 PolarHBondContact O-N 3.43Å |
| 234 | F | 62.7 | Low | 53.6 | Low | 142 Ų | 142 | 118.7 Ų | 118.7 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.1 | -28.1 | 177.5 | -85.2 | -65.1 | 0 | 0 | 0 | 114.1 | A230 V231 R238 | A230-F234 VanDerWaalsContact O-CD2 3.25Å; A230-F234 WeakPolarHBondContact O-CD2 3.22Å; A230-F234 PolarHBondContact O-N 3.47Å; A230-F234 VanDerWaalsContact O-N 3.11Å; V231-F234 PolarHBondContact O-N 3.23Å; V231-F234 VanDerWaalsContact O-N 3.1Å; F234-R238 WeakPolarHBondContact O-CD 3.39Å; F234-R238 WeakPolarHBondContact O-CG 3.4Å |
| 235 | E | 60.8 | Low | 52.8 | Low | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.7 | -47.6 | 173.4 | -70.3 | -176 | 151.8 | 0 | 0 | 110.9 | V231 A232 Q237 R238 | V231-E235 PolarHBondContact O-N 3.39Å; A232-E235 PolarHBondContact O-N 3.05Å; E235-Q237 PolarHBondContact O-N 2.82Å; E235-Q237 VanDerWaalsContact O-N 3.15Å; E235-R238 PolarHBondContact O-N 2.82Å |
| 236 | A | 56.1 | Low | 51.6 | Low | 74 Ų | 74 | 121.3 Ų | 121.3 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -58.1 | -31.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A232 R238 | A232-A236 WeakPolarHBondContact O-CB 3.25Å; A232-A236 PolarHBondContact O-N 3.34Å; A236-R238 VanDerWaalsContact C-N 3.25Å; A236-R238 PolarHBondContact O-N 2.83Å |
| 237 | Q | 46.4 | Very low | 50.2 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -1.6 | -179.6 | -156.6 | 161.2 | 23.4 | 0 | 0 | 113.9 | H233 E235 | H233-Q237 PolarHBondContact CE1-OE1 2.83Å; H233-Q237 PolarHBondContact ND1-OE1 3.5Å; H233-Q237 WeakPolarHBondContact O-CB 3.33Å; H233-Q237 PolarHBondContact O-N 3.43Å; E235-Q237 PolarHBondContact O-N 2.82Å; E235-Q237 VanDerWaalsContact O-N 3.15Å |
| 238 | R | 48.3 | Very low | 48.5 | Very low | 212 Ų | 212 | 127 Ų | 127 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -14.1 | 178.8 | -69.2 | 174.5 | 68.2 | 150.1 | 4 | 114.4 | F234 E235 A236 | F234-R238 WeakPolarHBondContact O-CD 3.39Å; F234-R238 WeakPolarHBondContact O-CG 3.4Å; E235-R238 PolarHBondContact O-N 2.82Å; A236-R238 VanDerWaalsContact C-N 3.25Å; A236-R238 PolarHBondContact O-N 2.83Å |
| 239 | D | 40.8 | Very low | 47 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -93.4 | 6.1 | -175.4 | -74 | -33.2 | 0 | 0 | 0 | 114.6 | P241 | D239-P241 WeakPolarHBondContact O-CD 3.49Š|
| 240 | S | 38.7 | Very low | 45.2 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | trans | -100.9 | 110.7 | 176.7 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 241 | P | 42 | Very low | 43.7 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 127.9 | 178.1 | 32.6 | -32.8 | 0 | 0 | 0 | 112.5 | D239 | D239-P241 WeakPolarHBondContact O-CD 3.49Š|
| 242 | P | 40.2 | Very low | 42.5 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 143.5 | 172.9 | 31.5 | -31.7 | 0 | 0 | 0 | 112.9 | ||
| 243 | T | 33.6 | Very low | 40.6 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -81 | 160 | -172.5 | 45.7 | 0 | 0 | 0 | 0 | 115 | ||
| 244 | K | 37.9 | Very low | 39.6 | Very low | 216 Ų | 216 | 146 Ų | 146 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 144.8 | 175.1 | -64.3 | 175.6 | 178 | 175.9 | 0 | 113.1 | ||
| 245 | G | 32.1 | Very low | 38.4 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -146.2 | 154 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 246 | L | 33 | Very low | 37.2 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -90.7 | 159.7 | -164.7 | -87.5 | 95.7 | 0 | 0 | 0 | 116.9 | ||||
| 247 | R | 32.1 | Very low | 36.1 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -18.4 | 147 | 164.1 | -66.6 | -178.7 | 168.8 | -97.1 | 0.4 | 119.3 | ||||
| 248 | K | 28.6 | Very low | 35.3 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | -148.6 | 152.4 | 121.4 | -160.8 | 179.8 | 173.4 | -156.2 | 0 | 111.4 | E250 | K248-E250 IonicContact NZ-OE2 3.79Š| |||
| 249 | E | 33.5 | Very low | 34.5 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -104 | 140.6 | 178.9 | 174.1 | -169.5 | 137.6 | 0 | 0 | 110.6 | ||||
| 250 | E | 27.5 | Very low | 34 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -159.5 | 174 | 153.8 | -132.4 | 169.3 | 98.8 | 0 | 0 | 113.2 | K248 | K248-E250 IonicContact NZ-OE2 3.79Š| ||
| 251 | R | 32.1 | Very low | 33.6 | Very low | 238 Ų | 238 | 145.4 Ų | 145.4 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -97.4 | 171.7 | -151.1 | -103.3 | -177.4 | 167.6 | 176.6 | -4 | 116.4 | ||||
| 252 | P | 40.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -86.3 | 155.8 | -167 | 35.1 | -36.9 | 0 | 0 | 0 | 115.4 | ||||
| 253 | G | 29 | Very low | 32.1 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -139.3 | 165 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 254 | P | 35.8 | Very low | 31.8 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87 | 147.5 | -146.7 | 32.8 | -37.1 | 0 | 0 | 0 | 115.6 | ||
| 255 | G | 37.4 | Very low | 31.4 | Very low | 75 Ų | 75 | 149 Ų | 149 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 146.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 256 | P | 36.8 | Very low | 31.1 | Very low | 137 Ų | 137 | 151 Ų | 151 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 148.6 | 160.4 | 35.9 | -30.2 | 0 | 0 | 0 | 110.1 | ||
| 257 | G | 32.4 | Very low | 30.8 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 166.7 | 96.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 258 | E | 30.2 | Very low | 30.6 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | trans | -79.2 | 121.9 | -172.6 | -172.5 | -174.4 | 137.6 | 0 | 0 | 111.5 | R260 | E258-R260 HydrophobicContact CG-CG 4.14Å; E258-R260 WeakPolarHBondContact OE1-CD 3.22Å; E258-R260 WeakPolarHBondContact OE1-CG 3.11Å; E258-R260 IonicContact OE1-CZ 3.76Å; E258-R260 IonicContact OE1-NE 3.71Å; E258-R260 IonicContact OE1-NH1 2.71Å; E258-R260 PolarHBondContact OE1-NH1 3.41Å | ||
| 259 | V | 30.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -95.9 | 113.1 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | I261 | V259-I261 HydrophobicContact CG1-CG1 4.25Š| ||
| 260 | R | 31.1 | Very low | 30.6 | Very low | 204 Ų | 204 | 147 Ų | 147 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -110.4 | 118.8 | 175.1 | -57.9 | 172 | 84.6 | 126.9 | -9.7 | 109 | E258 | E258-R260 HydrophobicContact CG-CG 4.14Å; E258-R260 WeakPolarHBondContact OE1-CD 3.22Å; E258-R260 WeakPolarHBondContact OE1-CG 3.11Å; E258-R260 IonicContact OE1-CZ 3.76Å; E258-R260 IonicContact OE1-NE 3.71Å; E258-R260 IonicContact OE1-NH1 2.71Å; E258-R260 PolarHBondContact OE1-NH1 3.41Å | ||
| 261 | I | 30 | Very low | 30.9 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | -98.9 | 130.5 | 177.6 | -56.5 | 176.7 | 0 | 0 | 0 | 108.8 | V259 F263 | V259-I261 HydrophobicContact CG1-CG1 4.25Å; I261-F263 HydrophobicContact CG2-CD2 4.1Å; I261-F263 HydrophobicContact CG2-CE2 3.52Å; I261-F263 HydrophobicContact CG2-CZ 3.82Å | ||
| 262 | A | 25.1 | Very low | 30.7 | Very low | 85 Ų | 85 | 143.9 Ų | 143.9 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -127.9 | 126.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 263 | F | 25.4 | Very low | 30.2 | Very low | 191 Ų | 191 | 143 Ų | 143 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -96.5 | 141.6 | 176.5 | -71.7 | -79.2 | 0 | 0 | 0 | 111.4 | I261 | I261-F263 HydrophobicContact CG2-CD2 4.1Å; I261-F263 HydrophobicContact CG2-CE2 3.52Å; I261-F263 HydrophobicContact CG2-CZ 3.82Å | ||
| 264 | R | 27.6 | Very low | 30.6 | Very low | 232 Ų | 232 | 144.6 Ų | 144.6 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -121.5 | 136.1 | 177.5 | -39.7 | 177.6 | -166.6 | -163.5 | 2.3 | 106.2 | ||||
| 265 | I | 28.2 | Very low | 30.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -130.5 | 129.5 | 173.5 | -56.6 | -179.1 | 0 | 0 | 0 | 108.1 | ||||
| 266 | S | 27.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -103 | 148.9 | -178.1 | -59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 267 | N | 27 | Very low | 29.3 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 146 | 176.1 | -71.6 | -14.2 | 0 | 0 | 0 | 112.5 | ||||
| 268 | G | 27.7 | Very low | 29 | Very low | 81 Ų | 81 | 151.9 Ų | 151.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -136.2 | 148.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 269 | R | 29.2 | Very low | 29.6 | Very low | 253 Ų | 253 | 149.8 Ų | 149.8 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | trans | -129.8 | 151.7 | -164.5 | -163.1 | -177.9 | -164.1 | -127.6 | 7.9 | 112.1 | ||||
| 270 | E | 31.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | -40.1 | 159.8 | 176.3 | -135.8 | 98.2 | 167.8 | 0 | 0 | 117.9 | ||||
| 271 | P | 33.5 | Very low | 29.2 | Very low | 132 Ų | 132 | 151 Ų | 151 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | -148.1 | -172.8 | 84.9 | 36.2 | -14.9 | 0 | 0 | 0 | 117.7 | |||||
| 272 | R | 29.3 | Very low | 29.1 | Very low | 213 Ų | 213 | 149.3 Ų | 149.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -115 | 154.5 | -157.4 | -57.2 | 169.4 | 168.5 | 165.5 | -7.4 | 118.1 | ||||
| 273 | S | 27.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 60.6 | 169.9 | 140.2 | 66.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 274 | P | 39.2 | Very low | 29.3 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | cis | -144.7 | -174.2 | 9.2 | 46.2 | -26.5 | 0 | 0 | 0 | 119.6 | ||||
| 275 | D | 27.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | 72.7 | 141.6 | 149.4 | -60.6 | -32.7 | 0 | 0 | 0 | 126.5 | ||||
| 276 | G | 25.8 | Very low | 30.3 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 158.3 | 60.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 277 | N | 28.4 | Very low | 30.3 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | 64.3 | 148.4 | 148.1 | -67.7 | -23.8 | 0 | 0 | 0 | 126.3 | ||||
| 278 | L | 26.8 | Very low | 30.4 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -102 | -172.1 | 171.5 | -132.5 | 85.8 | 0 | 0 | 0 | 109.8 | ||||
| 279 | P | 42.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | cis | -153.5 | -176.6 | 30.5 | 45.9 | -22.8 | 0 | 0 | 0 | 120.8 | ||||
| 280 | T | 26.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 96.6 | 109.5 | 138.7 | -62.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 281 | W | 26.3 | Very low | 30.9 | Very low | 241 Ų | 241 | 131.6 Ų | 131.6 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | 67.8 | 142.7 | 135.7 | -142.9 | -109.1 | 0 | 0 | 0 | 119.4 | ||||
| 282 | S | 28.6 | Very low | 30.9 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | cis | -164.5 | 166.2 | -3.3 | 45.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 283 | G | 26.5 | Very low | 31.1 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | cis | 176.1 | -173.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 284 | S | 28.7 | Very low | 31.3 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | 86.2 | 143.6 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 285 | R | 32.1 | Very low | 31 | Very low | 242 Ų | 242 | 138.1 Ų | 138.1 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -147 | -178.2 | -163 | -114.8 | -175.5 | 179.3 | -149.8 | 2.8 | 107.6 | ||||
| 286 | P | 43 | Very low | 31.2 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | cis | -132.1 | 174.7 | -18.8 | 35.6 | -17.6 | 0 | 0 | 0 | 114.1 | ||||
| 287 | G | 27.4 | Very low | 31.4 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 166 | 83.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 288 | S | 30.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -90.7 | 170.2 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 289 | P | 38.6 | Very low | 31.8 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | cis | -141.5 | 157.7 | 15.5 | 40.4 | -20.9 | 0 | 0 | 0 | 119.3 | ||||
| 290 | G | 28.2 | Very low | 31.4 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | 89.9 | 103.2 | 129.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 291 | A | 32.6 | Very low | 31.8 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -164.3 | 139.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 292 | R | 32.3 | Very low | 32.1 | Very low | 249 Ų | 249 | 142.9 Ų | 142.9 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | -85.7 | 143.6 | 178.8 | -84.1 | -172.8 | 174.7 | -164 | 1 | 112.4 | ||||
| 293 | A | 34.2 | Very low | 32.4 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | 50.4 | 131.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 294 | K | 32.9 | Very low | 32.6 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 85% | 0.852 | 84% | 0.84 | S | S | * | * | -163.5 | 97.9 | 120.2 | -149 | 159.2 | -174.8 | 172.7 | 0 | 111.5 | |||||
| 295 | D | 31.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 153 Ų | 153 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -67.4 | 138 | 171.7 | -68.7 | -50.3 | 0 | 0 | 0 | 110.7 | I297 | D295-I297 PolarHBondContact O-N 2.82Š| ||
| 296 | K | 31.7 | Very low | 32.7 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | -90 | 104.4 | -172.5 | -63.8 | -178.6 | -179.6 | -176.7 | 0 | 110.2 | T298 | K296-T298 PolarHBondContact O-N 2.82Š| ||
| 297 | I | 30.1 | Very low | 32.2 | Very low | 164 Ų | 164 | 147 Ų | 147 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | -82.3 | 100.9 | 165.5 | -57.3 | 175 | 0 | 0 | 0 | 107.7 | D295 | D295-I297 PolarHBondContact O-N 2.82Š| ||
| 298 | T | 32.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 69% | 0.693 | 82% | 0.822 | S | S | * | * | trans | -84.6 | 126.2 | 168.9 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | K296 | K296-T298 PolarHBondContact O-N 2.82Š| ||
| 299 | C | 32.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | -102 | 100.9 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | L301 | C299-L301 VanDerWaalsContact C-N 3.33Å; C299-L301 PolarHBondContact O-N 3.17Å | ||
| 300 | D | 34.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 154.2 Ų | 154.2 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -74.2 | 80.2 | 173.6 | -71 | -44.1 | 0 | 0 | 0 | 111.4 | ||||
| 301 | L | 35.1 | Very low | 33.3 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -131.9 | 45.6 | 177.7 | -159 | 69.9 | 0 | 0 | 0 | 113.6 | C299 | C299-L301 VanDerWaalsContact C-N 3.33Å; C299-L301 PolarHBondContact O-N 3.17Å | ||
| 302 | Y | 31.9 | Very low | 33.3 | Very low | 236 Ų | 236 | 157.1 Ų | 157.1 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -143.7 | 38.5 | 171.6 | -101.3 | -77.4 | 0 | 0 | 0 | 114 | ||||
| 303 | Q | 33.9 | Very low | 33.5 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -116.3 | 1.9 | 174.5 | -81.1 | -164.2 | 8.7 | 0 | 0 | 116.2 | ||
| 304 | L | 32.7 | Very low | 33.8 | Very low | 159 Ų | 159 | 151 Ų | 151 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -126.8 | 143.1 | 168.5 | -78 | 94.3 | 0 | 0 | 0 | 111.3 | ||
| 305 | I | 34.2 | Very low | 34.2 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 76.7 | 59.9 | -179.8 | -37.3 | 169.2 | 0 | 0 | 0 | 114.5 | ||
| 306 | S | 27.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -130.1 | 124.9 | 135.8 | -76.5 | 0 | 0 | 0 | 0 | 107.5 | S308 | S306-S308 PolarHBondContact O-N 3.19Š| ||
| 307 | P | 31.4 | Very low | 35 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 121.7 | 168.6 | -19.1 | 31.9 | 0 | 0 | 0 | 108.4 | ||||
| 308 | S | 29.3 | Very low | 35.3 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | -60 | 149.9 | 173.5 | 49.5 | 0 | 0 | 0 | 0 | 110 | S306 D310 | S306-S308 PolarHBondContact O-N 3.19Å; S308-D310 PolarHBondContact O-N 3.04Å; S308-D310 VanDerWaalsContact O-N 3.11Å | ||
| 309 | R | 37.5 | Very low | 35.7 | Very low | 244 Ų | 244 | 149.1 Ų | 149.1 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -81.4 | 22 | -179.2 | -80.6 | 178.2 | 54.7 | -171.6 | -7.3 | 113.1 | ||
| 310 | D | 41.8 | Very low | 36 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -124.9 | 41.5 | -165.8 | -56.8 | -64.6 | 0 | 0 | 0 | 112.1 | S308 | S308-D310 PolarHBondContact O-N 3.04Å; S308-D310 VanDerWaalsContact O-N 3.11Å | ||
| 311 | A | 40.3 | Very low | 36.1 | Very low | 85 Ų | 85 | 147.2 Ų | 147.2 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -147.2 | 70.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 312 | L | 32.8 | Very low | 36.3 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -117.3 | 133.3 | 156.7 | -70.1 | 176.8 | 0 | 0 | 0 | 108 | S314 | L312-S314 PolarHBondContact O-N 3.06Š| ||
| 313 | P | 36.4 | Very low | 36.5 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 128.6 | -177.5 | 27.1 | -33.6 | 0 | 0 | 0 | 111.1 | N315 | P313-N315 PolarHBondContact O-N 3.24Å; P313-N315 VanDerWaalsContact O-N 3.12Å | ||
| 314 | S | 40.7 | Very low | 36.6 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 94.4 | 177.6 | 42.4 | 0 | 0 | 0 | 0 | 111.4 | L312 | L312-S314 PolarHBondContact O-N 3.06Š| ||
| 315 | N | 41.5 | Very low | 37 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -116 | 10.9 | 173.5 | 68.8 | -27.8 | 0 | 0 | 0 | 114.6 | P313 | P313-N315 PolarHBondContact O-N 3.24Å; P313-N315 VanDerWaalsContact O-N 3.12Å | ||
| 316 | M | 38.3 | Very low | 37 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -100.3 | -14.6 | 173.6 | 76.4 | -177.7 | -166.5 | 0 | 0 | 114.5 | ||
| 317 | E | 40.1 | Very low | 37.2 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -82.2 | -22.6 | -174.3 | -155.5 | 159.3 | -151.2 | 0 | 0 | 112.7 | L319 | E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.84Å |
| 318 | F | 37.2 | Very low | 37.2 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -81.1 | -0.2 | -179.9 | -141.3 | -93.4 | 0 | 0 | 0 | 114.6 | ||
| 319 | L | 39.1 | Very low | 37.2 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -111.5 | -6.8 | -179.2 | -70.6 | 177 | 0 | 0 | 0 | 114.4 | E317 | E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.84Å |
| 320 | L | 39.4 | Very low | 36.7 | Very low | 142 Ų | 142 | 142 Ų | 142 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -20.8 | 174.1 | -72.7 | 167.2 | 0 | 0 | 0 | 112.9 | R322 | L320-R322 PolarHBondContact O-N 3.2Š|
| 321 | A | 37.5 | Very low | 36.2 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 26.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 322 | R | 39 | Very low | 35.9 | Very low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 19.7 | -180 | -121.2 | -176.9 | -175.6 | 177.4 | 2.2 | 115 | L320 | L320-R322 PolarHBondContact O-N 3.2Š|
| 323 | A | 36.7 | Very low | 35.6 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -121.6 | 9.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 324 | D | 36 | Very low | 35.4 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -122.8 | 95.9 | 166.9 | -88.9 | -62.9 | 0 | 0 | 0 | 107.3 | ||
| 325 | E | 39.3 | Very low | 34.7 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | 175.6 | 60 | 162.8 | -94 | -47.3 | 99.2 | 0 | 0 | 108.3 | ||||
| 326 | A | 35.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -164.3 | 52.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 327 | S | 32.2 | Very low | 34.4 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -163.8 | 70.7 | 162.4 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 328 | E | 29.8 | Very low | 33.9 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | trans | -107.8 | 135.7 | 168.7 | -82.7 | -88.2 | 113.8 | 0 | 0 | 110.4 | ||||
| 329 | G | 29.5 | Very low | 33.6 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 107.5 | 121.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 330 | E | 27.3 | Very low | 33.5 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | cis | -142.2 | 171.2 | 23.5 | -148.4 | 173.7 | 123.9 | 0 | 0 | 112.6 | ||||
| 331 | T | 31.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | trans | -83.4 | 152.2 | -158.8 | -39.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 332 | P | 35.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -97 | 164.9 | -172.5 | 37.7 | -37.3 | 0 | 0 | 0 | 115.9 | ||||
| 333 | A | 25.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -114.5 | 94.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 334 | L | 31.6 | Very low | 34.1 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | 34.1 | 110.9 | 142 | -158.7 | 79 | 0 | 0 | 0 | 121.9 | ||||
| 335 | A | 26.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | -158.7 | 154.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 336 | R | 32.8 | Very low | 34.9 | Very low | 239 Ų | 239 | 133.4 Ų | 133.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -147.5 | 172.5 | -174.7 | -106.6 | -171.7 | 175 | 177 | -1.4 | 108.2 | ||||
| 337 | P | 41.7 | Very low | 35.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 81% | 0.808 | S | S | * | * | cis | -135.4 | -159.5 | -25.4 | 32.5 | -9 | 0 | 0 | 0 | 112.6 | ||||
| 338 | E | 28.2 | Very low | 35.4 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 76.7 | 140.3 | 168.5 | -48.5 | -165.3 | 123.6 | 0 | 0 | 116.2 | ||||
| 339 | D | 30.7 | Very low | 35.6 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | cis | -146.8 | 166.5 | 11.6 | -154 | -12.7 | 0 | 0 | 0 | 111.6 | ||||
| 340 | T | 37.8 | Very low | 35.6 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -142.4 | 132.9 | -177.4 | -63.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 341 | P | 38.9 | Very low | 35.8 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -114.4 | 156.1 | 151.8 | 8.8 | 12.8 | 0 | 0 | 0 | 113.1 | ||||
| 342 | P | 41.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 158.4 | -160.7 | 35.2 | -37.6 | 0 | 0 | 0 | 116.1 | ||
| 343 | A | 39.2 | Very low | 35.3 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 150.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 344 | P | 46.1 | Very low | 35.8 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 154.9 | 177.7 | 32.4 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 345 | P | 46.9 | Very low | 35.9 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 156.7 | -176.4 | 31.8 | -36.4 | 0 | 0 | 0 | 113.9 | ||
| 346 | P | 44.3 | Very low | 36 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76 | 147.4 | 178.7 | 31.4 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 347 | P | 42 | Very low | 35.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 153.6 | 175.7 | 31.7 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 348 | P | 36.1 | Very low | 34.9 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 156.4 | -174.8 | 30.2 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 349 | A | 34.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 143.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 350 | R | 29.6 | Very low | 34.4 | Very low | 232 Ų | 232 | 124.7 Ų | 124.7 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -112.3 | 122.9 | 170.7 | -66.3 | -175.2 | 70.8 | 174.1 | 2.7 | 109.1 | C352 | R350-C352 PolarHBondContact O-N 3.05Š| ||
| 351 | D | 31.4 | Very low | 33.8 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -61.8 | 122.5 | 175.3 | -58.7 | -70 | 0 | 0 | 0 | 111.2 | G353 | D351-G353 PolarHBondContact O-N 3.45Å; D351-G353 VanDerWaalsContact O-N 3.08Å | ||
| 352 | C | 28.8 | Very low | 33.2 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 91% | 0.905 | 78% | 0.777 | S | S | * | * | trans | -78.1 | 88.5 | 169 | -79.6 | 0 | 0 | 0 | 0 | 109.6 | R350 A354 | R350-C352 PolarHBondContact O-N 3.05Å; C352-A354 PolarHBondContact O-N 2.94Å | ||
| 353 | G | 28.7 | Very low | 32.6 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -58.1 | 128 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D351 S355 | D351-G353 PolarHBondContact O-N 3.45Å; D351-G353 VanDerWaalsContact O-N 3.08Å; G353-S355 PolarHBondContact O-N 2.94Å | ||
| 354 | A | 35.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -68.6 | 110.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C352 G356 | C352-A354 PolarHBondContact O-N 2.94Å; A354-G356 PolarHBondContact O-N 3.11Å | ||
| 355 | S | 33.2 | Very low | 31.4 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -75.7 | 91 | 171.7 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | G353 | G353-S355 PolarHBondContact O-N 2.94Š| ||
| 356 | G | 29.6 | Very low | 30.5 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A354 | A354-G356 PolarHBondContact O-N 3.11Š|
| 357 | F | 25.3 | Very low | 29.7 | Very low | 198 Ų | 198 | 124.6 Ų | 124.6 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 124.6 | 176.7 | -68.1 | -89 | 0 | 0 | 0 | 110.8 | ||
| 358 | H | 25.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 134.4 | 169.9 | -165.2 | -100 | 0 | 0 | 0 | 109.4 | D360 | H358-D360 IonicContact CE1-OD1 2.58Å; H358-D360 PolarHBondContact CE1-OD1 3.23Å; H358-D360 IonicContact CE1-OD2 3.27Å; H358-D360 PolarHBondContact CE1-OD2 2.85Å; H358-D360 IonicContact ND1-OD1 3.98Å; H358-D360 IonicContact ND1-OD2 3.49Å; H358-D360 PolarHBondContact ND1-OD2 2.79Å |
| 359 | V | 25.5 | Very low | 28.8 | Very low | 121 Ų | 121 | 129 Ų | 129 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -118.7 | 102.2 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 109 | V361 | V359-V361 HydrophobicContact CG1-CG2 4.42Š| ||
| 360 | D | 23.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 116.9 | 170.4 | -81.3 | -63.5 | 0 | 0 | 0 | 110.8 | H358 V362 | H358-D360 IonicContact CE1-OD1 2.58Å; H358-D360 PolarHBondContact CE1-OD1 3.23Å; H358-D360 IonicContact CE1-OD2 3.27Å; H358-D360 PolarHBondContact CE1-OD2 2.85Å; H358-D360 IonicContact ND1-OD1 3.98Å; H358-D360 IonicContact ND1-OD2 3.49Å; H358-D360 PolarHBondContact ND1-OD2 2.79Å; D360-V362 PolarHBondContact O-N 3.33Å | ||
| 361 | V | 25.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 124 Ų | 124 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -89.7 | 91.1 | 173 | -177.1 | 0 | 0 | 0 | 0 | 109 | V359 V363 | V359-V361 HydrophobicContact CG1-CG2 4.42Å; V361-V363 HydrophobicContact CG1-CG2 4.08Å; V361-V363 PolarHBondContact O-N 3.08Å | ||
| 362 | V | 25.8 | Very low | 28.4 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -87.1 | 107.8 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | D360 T364 | D360-V362 PolarHBondContact O-N 3.33Å; V362-T364 HydrophobicContact CG1-CG2 4.06Å; V362-T364 PolarHBondContact O-N 3.38Å | ||
| 363 | V | 29.4 | Very low | 28.4 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | trans | -94.3 | 89.7 | 173.9 | -175 | 0 | 0 | 0 | 0 | 109.8 | V361 G365 | V361-V363 HydrophobicContact CG1-CG2 4.08Å; V361-V363 PolarHBondContact O-N 3.08Å; V363-G365 VanDerWaalsContact C-N 3.35Å; V363-G365 PolarHBondContact O-N 3.18Å | ||
| 364 | T | 29.1 | Very low | 28.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -84.7 | 79.1 | 165.5 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | V362 | V362-T364 HydrophobicContact CG1-CG2 4.06Å; V362-T364 PolarHBondContact O-N 3.38Å | ||
| 365 | G | 30.1 | Very low | 28.3 | Very low | 60 Ų | 60 | 133.2 Ų | 133.2 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | trans | -87.3 | 110.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V363 | V363-G365 VanDerWaalsContact C-N 3.35Å; V363-G365 PolarHBondContact O-N 3.18Å | ||
| 366 | V | 29 | Very low | 28.3 | Very low | 143 Ų | 143 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -82.3 | 123.6 | 163.5 | -158.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 367 | V | 27.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -87.4 | 110.9 | 175.3 | 179 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 368 | D | 29.3 | Very low | 28.9 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -70.4 | 129.9 | 168.2 | -104.1 | -33.2 | 0 | 0 | 0 | 109.8 | C370 | D368-C370 PolarHBondContact O-N 3.06Š| ||
| 369 | E | 29 | Very low | 29.2 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 110.4 | -173.1 | -165.6 | 170.6 | -150.7 | 0 | 0 | 110.5 | V371 | E369-V371 PolarHBondContact O-N 3.14Š| ||
| 370 | C | 30.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -76 | 90.8 | 178.5 | -73.7 | 0 | 0 | 0 | 0 | 110.9 | D368 F372 | D368-C370 PolarHBondContact O-N 3.06Å; C370-F372 PolarHBondContact O-N 3.19Å | ||
| 371 | V | 28.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 113.1 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | E369 F373 | E369-V371 PolarHBondContact O-N 3.14Å; V371-F373 PolarHBondContact O-N 3.47Å | ||
| 372 | F | 26.8 | Very low | 29.9 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -75.7 | 117.2 | 167.9 | -88.2 | -100.1 | 0 | 0 | 0 | 110.3 | C370 G374 | C370-F372 PolarHBondContact O-N 3.19Å; F372-G374 VanDerWaalsContact C-N 3.25Å; F372-G374 PolarHBondContact O-N 3.16Å | ||
| 373 | F | 29.8 | Very low | 30.1 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -77.1 | 78.9 | 163.3 | -90.2 | -86.3 | 0 | 0 | 0 | 110.2 | V371 K375 | V371-F373 PolarHBondContact O-N 3.47Å; F373-K375 PolarHBondContact O-N 2.82Å | ||
| 374 | G | 29.4 | Very low | 30 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 120.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F372 | F372-G374 VanDerWaalsContact C-N 3.25Å; F372-G374 PolarHBondContact O-N 3.16Å |
| 375 | K | 32.2 | Very low | 29.9 | Very low | 206 Ų | 206 | 139.9 Ų | 139.9 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 117 | 178.9 | -173.1 | 176.6 | 179.5 | -178.2 | 0 | 108.9 | F373 G377 | F373-K375 PolarHBondContact O-N 2.82Å; K375-G377 PolarHBondContact O-N 2.91Å |
| 376 | D | 33.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.3 | -170.3 | -56.4 | -69.8 | 0 | 0 | 0 | 113.5 | ||
| 377 | G | 33.7 | Very low | 29.5 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90 | 134.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K375 | K375-G377 PolarHBondContact O-N 2.91Š|
| 378 | T | 32.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -141.7 | 150.7 | 154.3 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 379 | K | 32.4 | Very low | 29.3 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 87.3 | 86.8 | 160.1 | -56.5 | 178.8 | -166.4 | -178.5 | 0 | 118.7 | ||||
| 380 | N | 31.3 | Very low | 29.2 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 46.4 | 118.2 | 128.5 | 51.9 | -109.7 | 0 | 0 | 0 | 120.9 | |||||
| 381 | V | 29.2 | Very low | 29 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | -160.9 | 163 | 124.8 | 133.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 382 | K | 29.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 68% | 0.683 | 78% | 0.782 | S | S | * | * | trans | -106.3 | 166 | -169.2 | -162.9 | -173 | 175.9 | -136.2 | 0 | 110 | ||||
| 383 | E | 29.1 | Very low | 30 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | trans | 66.8 | 151.4 | 169.7 | -70.8 | 137.9 | -165.1 | 0 | 0 | 114.6 | ||||
| 384 | E | 27.9 | Very low | 30.1 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -150.5 | -178.1 | -2.4 | -136.2 | -164.7 | 115.7 | 0 | 0 | 111.5 | ||||
| 385 | T | 26.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | trans | -21.7 | 149.3 | 159.7 | 47.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 386 | V | 24 | Very low | 31.3 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | -162.9 | 144 | 62.5 | 162 | 0 | 0 | 0 | 0 | 110.7 | L388 | V386-L388 HydrophobicContact CG1-CG 4.03Š| |||
| 387 | C | 25.9 | Very low | 31.4 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -87.4 | 135.3 | 162.3 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 388 | L | 23.8 | Very low | 31.4 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -134.8 | 110 | 160.3 | -77.7 | 178.2 | 0 | 0 | 0 | 111.2 | V386 | V386-L388 HydrophobicContact CG1-CG 4.03Š| ||
| 389 | T | 30.3 | Very low | 31.6 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -85.3 | 139.9 | 161.7 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 390 | V | 26.5 | Very low | 31.9 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 166.3 | 142.6 | 161.8 | 147.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 391 | S | 25.6 | Very low | 32.1 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -160.9 | 165.5 | -24 | -86.6 | 0 | 0 | 0 | 0 | 106.2 | E393 | S391-E393 PolarHBondContact O-N 3.2Š| ||
| 392 | P | 43.2 | Very low | 32.6 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -90.4 | 107.1 | -175.3 | 33.6 | -31.5 | 0 | 0 | 0 | 113.1 | ||||
| 393 | E | 33.1 | Very low | 32.7 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -149.8 | 155.5 | 158.6 | -146.8 | -178.4 | 148.5 | 0 | 0 | 111 | S391 | S391-E393 PolarHBondContact O-N 3.2Š| ||
| 394 | E | 32.3 | Very low | 33 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 98.3 | 122.1 | 173.9 | -148 | 167 | 173.2 | 0 | 0 | 117.7 | ||||
| 395 | P | 38.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 153 | -169.1 | 36.3 | -36.3 | 0 | 0 | 0 | 115.1 | ||
| 396 | P | 49.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 154.9 | 175.4 | 31.9 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 397 | P | 35.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68 | 156 | -173.6 | 26.2 | -35 | 0 | 0 | 0 | 114.7 | ||
| 398 | P | 33.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -81.5 | 145.2 | -162.1 | 32.2 | -36.7 | 0 | 0 | 0 | 114.2 | ||
| 399 | G | 36.3 | Very low | 34.4 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 168.6 | -12.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 400 | Q | 38.4 | Very low | 34.4 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | trans | -129.9 | 108.8 | -179.3 | -73.2 | -175.7 | -35.7 | 0 | 0 | 112.3 | F402 | Q400-F402 HydrophobicContact CB-CD2 4.3Å; Q400-F402 HydrophobicContact CB-CE2 3.99Å; Q400-F402 PolarHBondContact O-N 2.87Å | ||
| 401 | L | 36.2 | Very low | 34.4 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | -82.7 | 100.4 | 176.2 | -67.6 | 170.7 | 0 | 0 | 0 | 110.5 | ||||
| 402 | F | 39.6 | Very low | 35.1 | Very low | 167 Ų | 167 | 145 Ų | 145 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -103.1 | 109.1 | 163.9 | -69.4 | -78.5 | 0 | 0 | 0 | 109.5 | Q400 L404 | Q400-F402 HydrophobicContact CB-CD2 4.3Å; Q400-F402 HydrophobicContact CB-CE2 3.99Å; Q400-F402 PolarHBondContact O-N 2.87Å; F402-L404 PolarHBondContact O-N 3.05Å; F402-L404 VanDerWaalsContact O-N 3.14Å | ||
| 403 | F | 31.1 | Very low | 35.4 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -76.3 | 96.9 | 171.7 | -78.7 | -81.4 | 0 | 0 | 0 | 110.2 | ||||
| 404 | L | 34.9 | Very low | 35.2 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 125.9 | 164 | -72 | 170.1 | 0 | 0 | 0 | 109.4 | F402 A406 | F402-L404 PolarHBondContact O-N 3.05Å; F402-L404 VanDerWaalsContact O-N 3.14Å; L404-A406 PolarHBondContact O-N 2.82Å |
| 405 | Q | 32.6 | Very low | 35.7 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 124.7 | 174.4 | -70.7 | 178 | -10.7 | 0 | 0 | 109.9 | ||
| 406 | A | 28.5 | Very low | 36.5 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L404 | L404-A406 PolarHBondContact O-N 2.82Š|
| 407 | R | 30.3 | Very low | 35.9 | Very low | 245 Ų | 245 | 140.5 Ų | 140.5 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -122.9 | 132 | 166.2 | -167 | 175.3 | -179.6 | 106.8 | -0.3 | 108.2 | ||||
| 408 | G | 28.7 | Very low | 35.7 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -71.8 | 173.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 409 | P | 37.7 | Very low | 35.6 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -98.7 | 179 | -161.2 | 39.3 | -37.7 | 0 | 0 | 0 | 116.1 | ||||
| 410 | E | 30.7 | Very low | 35.5 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | 91.5 | 133.4 | 158.2 | -80.8 | -111.7 | 79.2 | 0 | 0 | 121.6 | ||||
| 411 | G | 26.8 | Very low | 35.7 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 131.7 | 94.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 412 | P | 40.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | -124.2 | -176.4 | 160.7 | 40.3 | -28.4 | 0 | 0 | 0 | 112.8 | ||||
| 413 | P | 49 | Very low | 34.9 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | cis | -130.4 | 173.3 | -33.3 | 38.4 | -22.6 | 0 | 0 | 0 | 114.3 | ||||
| 414 | E | 28.6 | Very low | 35.3 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 173.7 | 165.1 | 139 | -97.9 | -138.4 | 70.5 | 0 | 0 | 114 | ||||
| 415 | P | 43.2 | Very low | 35.7 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -121 | -145.9 | -157.1 | 47 | -31.5 | 0 | 0 | 0 | 115.5 | ||||
| 416 | P | 53.8 | Low | 35.7 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -110.5 | -174.9 | -127.2 | 39.7 | -20.6 | 0 | 0 | 0 | 115.2 | |||||
| 417 | P | 37.1 | Very low | 36.4 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -138 | 164 | 119.7 | 37.7 | -27 | 0 | 0 | 0 | 114.8 | |||||
| 418 | A | 31.6 | Very low | 36.8 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -91.8 | 160.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 419 | D | 32.3 | Very low | 37.3 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -160.8 | 138.7 | 137.7 | -103.3 | -27.4 | 0 | 0 | 0 | 112.7 | ||||
| 420 | T | 33.8 | Very low | 37.7 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | -135.4 | 147.8 | 171.6 | 51 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 421 | P | 43 | Very low | 38.2 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | -155 | -173.3 | 59 | 40 | -18.2 | 0 | 0 | 0 | 115.8 | |||||
| 422 | G | 27.1 | Very low | 38.8 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | 160.5 | 65.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 423 | T | 30.5 | Very low | 38.9 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 76.7 | 138.7 | 146.8 | -48.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 424 | V | 40.4 | Very low | 38.8 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -128.5 | 152.2 | -170.9 | -179.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 425 | P | 42.8 | Very low | 39.5 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | -156.6 | 136.7 | 54.4 | 39.3 | -14.9 | 0 | 0 | 0 | 121.9 | |||||
| 426 | G | 32.3 | Very low | 39.9 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 180 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 427 | P | 44.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | cis | -116.6 | -171.5 | -9.2 | 41.4 | -27.8 | 0 | 0 | 0 | 113.6 | ||||
| 428 | D | 38.7 | Very low | 40.2 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -20.5 | 133.7 | 176.1 | -61.8 | -84.3 | 0 | 0 | 0 | 119.8 | ||||
| 429 | D | 38.5 | Very low | 40.8 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | -155.8 | 124.9 | 108.7 | -109.6 | -36.5 | 0 | 0 | 0 | 111.2 | |||||
| 430 | S | 45.7 | Very low | 41.6 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -94 | 108.9 | 171.7 | -72.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 431 | E | 42.6 | Very low | 42 | Very low | 200 Ų | 200 | 121 Ų | 121 | 94% | 0.935 | 74% | 0.737 | S | S | * | * | trans | -123.4 | 118.9 | 163 | -133 | -172.9 | 145.4 | 0 | 0 | 111.8 | ||||
| 432 | G | 39.2 | Very low | 42.2 | Very low | 64 Ų | 64 | 123.4 Ų | 123.4 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | trans | -62.7 | 145.6 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | P434 | G432-P434 WeakPolarHBondContact O-CD 3.36Å; G432-P434 VanDerWaalsContact O-N 3.14Å | ||
| 433 | T | 42.2 | Very low | 43.5 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | -44.3 | 117.2 | 146.4 | 26.7 | 0 | 0 | 0 | 0 | 109.1 | D435 | T433-D435 PolarHBondContact O-N 2.67Š| ||
| 434 | P | 47 | Very low | 44.8 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 126.6 | 179.5 | 25.3 | -33.1 | 0 | 0 | 0 | 109.3 | G432 T436 | G432-P434 WeakPolarHBondContact O-CD 3.36Å; G432-P434 VanDerWaalsContact O-N 3.14Å; P434-T436 PolarHBondContact O-N 3.04Å; P434-T436 PolarHBondContact O-OG1 3.42Å | ||
| 435 | D | 44.5 | Very low | 46.1 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | trans | -51 | 92.4 | -174.9 | -93.2 | -58.1 | 0 | 0 | 0 | 113.2 | T433 S437 L438 | T433-D435 PolarHBondContact O-N 2.67Å; D435-S437 VanDerWaalsContact CB-OG 3.29Å; D435-S437 WeakPolarHBondContact CB-OG 3.42Å; D435-S437 PolarHBondContact O-N 3.14Å; D435-S437 PolarHBondContact OD1-OG 3.38Å; D435-L438 HydrophobicContact CB-CB 4.32Å; D435-L438 HydrophobicContact CB-CD1 3.98Å; D435-L438 HydrophobicContact CB-CG 3.96Å; D435-L438 PolarHBondContact O-N 2.96Å | ||
| 436 | T | 49.6 | Very low | 48 | Very low | 100 Ų | 100 | 127 Ų | 127 | 61% | 0.613 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -10.8 | 170.3 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | P434 | P434-T436 PolarHBondContact O-N 3.04Å; P434-T436 PolarHBondContact O-OG1 3.42Å |
| 437 | S | 53.1 | Low | 50.4 | Low | 59 Ų | 59 | 130 Ų | 130 | 41% | 0.413 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -42.5 | 169.5 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | D435 R440 | D435-S437 VanDerWaalsContact CB-OG 3.29Å; D435-S437 WeakPolarHBondContact CB-OG 3.42Å; D435-S437 PolarHBondContact O-N 3.14Å; D435-S437 PolarHBondContact OD1-OG 3.38Å; S437-R440 PolarHBondContact O-N 3.37Å |
| 438 | L | 45 | Very low | 52.3 | Low | 114 Ų | 114 | 129 Ų | 129 | 60% | 0.597 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -71.8 | -32.6 | -175.8 | -72.9 | 176.6 | 0 | 0 | 0 | 112.8 | D435 R440 L441 | D435-L438 HydrophobicContact CB-CB 4.32Å; D435-L438 HydrophobicContact CB-CD1 3.98Å; D435-L438 HydrophobicContact CB-CG 3.96Å; D435-L438 PolarHBondContact O-N 2.96Å; L438-R440 PolarHBondContact O-N 3.12Å; L438-L441 PolarHBondContact O-N 2.8Å |
| 439 | C | 45.2 | Very low | 54.6 | Low | 86 Ų | 86 | 127.6 Ų | 127.6 | 58% | 0.581 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -65.1 | -16 | 174.1 | -65.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 440 | R | 48.5 | Very low | 56.9 | Low | 202 Ų | 202 | 124.2 Ų | 124.2 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -87.8 | -13.2 | 176.6 | -67.7 | 178.9 | 175.3 | 152.7 | 0.4 | 114 | S437 L438 | S437-R440 PolarHBondContact O-N 3.37Å; L438-R440 PolarHBondContact O-N 3.12Å |
| 441 | L | 42.4 | Very low | 58.8 | Low | 148 Ų | 148 | 122.1 Ų | 122.1 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -27 | 173.6 | -103 | 75.6 | 0 | 0 | 0 | 112.7 | L438 R443 | L438-L441 PolarHBondContact O-N 2.8Å; L441-R443 PolarHBondContact O-N 3.25Å; L441-R443 VanDerWaalsContact O-N 3.09Å |
| 442 | Y | 46.6 | Very low | 60.8 | Low | 185 Ų | 185 | 117.1 Ų | 117.1 | 73% | 0.725 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -70.6 | 103.6 | 163 | -104 | -96.9 | 0 | 0 | 0 | 108.5 | H444 | Y442-H444 VanDerWaalsContact C-N 3.3Å; Y442-H444 PolarHBondContact O-N 2.73Å |
| 443 | R | 54.9 | Low | 63 | Low | 233 Ų | 233 | 121.3 Ų | 121.3 | 88% | 0.879 | 60% | 0.604 | S | S | * | * | trans | -60.1 | 97.5 | 165.2 | -85.2 | -171.7 | 163.3 | 107.3 | -1.2 | 108 | L441 V445 | L441-R443 PolarHBondContact O-N 3.25Å; L441-R443 VanDerWaalsContact O-N 3.09Å; R443-V445 PolarHBondContact O-N 2.83Å | ||
| 444 | H | 58.3 | Low | 65 | Low | 166 Ų | 166 | 120.8 Ų | 120.8 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | trans | -59.5 | 95.1 | 161.3 | -71.3 | -71.3 | 0 | 0 | 0 | 107.5 | Y442 S446 | Y442-H444 VanDerWaalsContact C-N 3.3Å; Y442-H444 PolarHBondContact O-N 2.73Å; H444-S446 PolarHBondContact O-N 3.42Å | ||
| 445 | V | 67.2 | Low | 66.7 | Low | 73 Ų | 73 | 120.7 Ų | 120.7 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | trans | -59 | 119.7 | 167.5 | -177.2 | 0 | 0 | 0 | 0 | 105.7 | R443 F449 L450 | R443-V445 PolarHBondContact O-N 2.83Å; V445-F449 HydrophobicContact CG1-CB 3.87Å; V445-F449 HydrophobicContact CG1-CD1 3.15Å; V445-F449 HydrophobicContact CG1-CE1 3.87Å; V445-F449 HydrophobicContact CG1-CG 3.75Å; V445-L450 HydrophobicContact CB-CD2 4.42Å; V445-L450 HydrophobicContact CB-CG 4.42Å; V445-L450 HydrophobicContact CG1-CD2 3.77Å; V445-L450 HydrophobicContact CG1-CG 3.83Å | ||
| 446 | S | 81.8 | Confident | 68.5 | Low | 62 Ų | 62 | 119.8 Ų | 119.8 | 43% | 0.434 | 57% | 0.573 | S | S | . | * | trans | -58.5 | 146.6 | -176.3 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | H444 D448 F449 L450 | H444-S446 PolarHBondContact O-N 3.42Å; S446-D448 PolarHBondContact O-N 2.98Å; S446-F449 WeakPolarHBondContact O-CB 3.34Å; S446-F449 PolarHBondContact O-N 2.85Å; S446-F449 WeakPolarHBondContact OG-CB 3.34Å; S446-F449 PolarHBondContact OG-N 3.12Å; S446-L450 PolarHBondContact O-N 3.18Å; S446-L450 VanDerWaalsContact O-N 3.09Å | ||
| 447 | H | 82.4 | Confident | 69.9 | Low | 137 Ų | 137 | 120.7 Ų | 120.7 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -49.3 | -45.7 | 172.6 | 179.2 | -86.4 | 0 | 0 | 0 | 110 | F449 L450 E451 | H447-F449 VanDerWaalsContact C-N 3.33Å; H447-F449 PolarHBondContact O-N 2.92Å; H447-L450 PolarHBondContact O-N 3.09Å; H447-L450 VanDerWaalsContact O-N 3.08Å; H447-E451 IonicContact CE1-OE2 3.55Å; H447-E451 PolarHBondContact CE1-OE2 2.81Å; H447-E451 VanDerWaalsContact CE1-OE2 3.27Å; H447-E451 IonicContact ND1-OE2 3.06Å; H447-E451 PolarHBondContact ND1-OE2 2.91Å; H447-E451 WeakPolarHBondContact O-CB 3.41Å; H447-E451 PolarHBondContact O-N 3.33Å |
| 448 | D | 84.4 | Confident | 70.8 | Confident | 101 Ų | 101 | 124.4 Ų | 124.4 | 54% | 0.54 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -55.6 | -40.9 | 175.6 | -48.3 | -12.7 | 0 | 0 | 0 | 113.1 | S446 E451 I452 | S446-D448 PolarHBondContact O-N 2.98Å; D448-E451 PolarHBondContact O-N 3.08Å; D448-I452 WeakPolarHBondContact O-CB 3.49Å; D448-I452 WeakPolarHBondContact O-CD1 3.37Å; D448-I452 WeakPolarHBondContact O-CG1 3.49Å; D448-I452 PolarHBondContact O-N 3.46Å |
| 449 | F | 87.1 | Confident | 72 | Confident | 112 Ų | 112 | 124.5 Ų | 124.5 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.2 | -40.6 | 176.5 | 178.6 | -79.9 | 0 | 0 | 0 | 111.6 | V445 S446 H447 E451 R453 | V445-F449 HydrophobicContact CG1-CB 3.87Å; V445-F449 HydrophobicContact CG1-CD1 3.15Å; V445-F449 HydrophobicContact CG1-CE1 3.87Å; V445-F449 HydrophobicContact CG1-CG 3.75Å; S446-F449 WeakPolarHBondContact O-CB 3.34Å; S446-F449 PolarHBondContact O-N 2.85Å; S446-F449 WeakPolarHBondContact OG-CB 3.34Å; S446-F449 PolarHBondContact OG-N 3.12Å; H447-F449 VanDerWaalsContact C-N 3.33Å; H447-F449 PolarHBondContact O-N 2.92Å; F449-E451 VanDerWaalsContact C-N 3.34Å; F449-R453 WeakPolarHBondContact O-CB 3.47Å; F449-R453 PolarHBondContact O-N 3.09Å |
| 450 | L | 86.7 | Confident | 73.2 | Confident | 96 Ų | 96 | 126.9 Ų | 126.9 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -40.3 | 175.5 | -66.1 | 176.6 | 0 | 0 | 0 | 111 | V445 S446 H447 R453 F454 | V445-L450 HydrophobicContact CB-CD2 4.42Å; V445-L450 HydrophobicContact CB-CG 4.42Å; V445-L450 HydrophobicContact CG1-CD2 3.77Å; V445-L450 HydrophobicContact CG1-CG 3.83Å; S446-L450 PolarHBondContact O-N 3.18Å; S446-L450 VanDerWaalsContact O-N 3.09Å; H447-L450 PolarHBondContact O-N 3.09Å; H447-L450 VanDerWaalsContact O-N 3.08Å; L450-R453 PolarHBondContact O-N 2.95Å; L450-F454 VanDerWaalsContact O-CB 3.29Å; L450-F454 WeakPolarHBondContact O-CB 3.5Å; L450-F454 PolarHBondContact O-N 3.44Å |
| 451 | E | 86.6 | Confident | 74.2 | Confident | 75 Ų | 75 | 122.3 Ų | 122.3 | 35% | 0.35 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -42 | 177.8 | -164.9 | -174.7 | 153.3 | 0 | 0 | 111.8 | H447 D448 F449 F454 K455 | H447-E451 IonicContact CE1-OE2 3.55Å; H447-E451 PolarHBondContact CE1-OE2 2.81Å; H447-E451 VanDerWaalsContact CE1-OE2 3.27Å; H447-E451 IonicContact ND1-OE2 3.06Å; H447-E451 PolarHBondContact ND1-OE2 2.91Å; H447-E451 WeakPolarHBondContact O-CB 3.41Å; H447-E451 PolarHBondContact O-N 3.33Å; D448-E451 PolarHBondContact O-N 3.08Å; F449-E451 VanDerWaalsContact C-N 3.34Å; E451-F454 PolarHBondContact O-N 3.17Å; E451-K455 HydrophobicContact CG-CD 4.31Å; E451-K455 WeakPolarHBondContact O-CB 3.32Å; E451-K455 VanDerWaalsContact O-CG 3.25Å; E451-K455 WeakPolarHBondContact O-CG 3.27Å; E451-K455 PolarHBondContact O-N 3.4Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 2.85Å; E451-K455 PolarHBondContact OE1-NZ 3.34Å |
| 452 | I | 84.4 | Confident | 75 | Confident | 94 Ų | 94 | 120.6 Ų | 120.6 | 48% | 0.482 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -45.6 | 172.2 | -72.3 | 164 | 0 | 0 | 0 | 110 | D448 F454 K455 I456 | D448-I452 WeakPolarHBondContact O-CB 3.49Å; D448-I452 WeakPolarHBondContact O-CD1 3.37Å; D448-I452 WeakPolarHBondContact O-CG1 3.49Å; D448-I452 PolarHBondContact O-N 3.46Å; I452-F454 VanDerWaalsContact C-N 3.33Å; I452-F454 PolarHBondContact O-N 3.5Å; I452-K455 PolarHBondContact O-N 3.41Å; I452-I456 HydrophobicContact CG2-CD1 3.65Å; I452-I456 HydrophobicContact CG2-CG1 4.37Å; I452-I456 WeakPolarHBondContact O-CB 3.29Å; I452-I456 VanDerWaalsContact O-CG1 3.24Å; I452-I456 WeakPolarHBondContact O-CG1 3.18Å; I452-I456 PolarHBondContact O-N 3.11Å |
| 453 | R | 86.3 | Confident | 75.7 | Confident | 152 Ų | 152 | 116.9 Ų | 116.9 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.5 | -43.7 | 175.5 | -179.7 | 179.5 | 176.9 | 131.2 | 1.1 | 111.3 | F449 L450 I456 Q457 | F449-R453 WeakPolarHBondContact O-CB 3.47Å; F449-R453 PolarHBondContact O-N 3.09Å; L450-R453 PolarHBondContact O-N 2.95Å; R453-I456 PolarHBondContact O-N 3.26Å; R453-Q457 VanDerWaalsContact O-CB 3.26Å; R453-Q457 WeakPolarHBondContact O-CB 3.39Å; R453-Q457 PolarHBondContact O-N 3.14Å |
| 454 | F | 83.4 | Confident | 76.4 | Confident | 123 Ų | 123 | 112.4 Ų | 112.4 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 177.9 | -174.6 | -105 | 0 | 0 | 0 | 111.9 | L450 E451 I452 I456 Q457 R458 | L450-F454 VanDerWaalsContact O-CB 3.29Å; L450-F454 WeakPolarHBondContact O-CB 3.5Å; L450-F454 PolarHBondContact O-N 3.44Å; E451-F454 PolarHBondContact O-N 3.17Å; I452-F454 VanDerWaalsContact C-N 3.33Å; I452-F454 PolarHBondContact O-N 3.5Å; F454-I456 PolarHBondContact O-N 3.04Å; F454-Q457 PolarHBondContact O-N 3.34Å; F454-R458 HydrophobicContact CD1-CG 4.33Å; F454-R458 HydrophobicContact CE1-CG 4.02Å; F454-R458 HydrophobicContact CE2-CG 4.42Å; F454-R458 HydrophobicContact CZ-CG 4.08Å; F454-R458 WeakPolarHBondContact O-CB 3.29Å; F454-R458 WeakPolarHBondContact O-CG 3.24Å; F454-R458 PolarHBondContact O-N 3.33Å |
| 455 | K | 82.4 | Confident | 76.9 | Confident | 111 Ų | 111 | 110.9 Ų | 110.9 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.6 | -76.5 | 170 | 179.8 | 170.3 | 0 | 111.6 | E451 I452 R458 L459 | E451-K455 HydrophobicContact CG-CD 4.31Å; E451-K455 WeakPolarHBondContact O-CB 3.32Å; E451-K455 VanDerWaalsContact O-CG 3.25Å; E451-K455 WeakPolarHBondContact O-CG 3.27Å; E451-K455 PolarHBondContact O-N 3.4Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 2.85Å; E451-K455 PolarHBondContact OE1-NZ 3.34Å; I452-K455 PolarHBondContact O-N 3.41Å; K455-R458 PolarHBondContact O-N 3.47Å; K455-L459 VanDerWaalsContact O-CG 3.27Å; K455-L459 WeakPolarHBondContact O-CG 3.36Å; K455-L459 PolarHBondContact O-N 3.03Å |
| 456 | I | 83.1 | Confident | 77 | Confident | 86 Ų | 86 | 110.3 Ų | 110.3 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 173.8 | -71 | 168.7 | 0 | 0 | 0 | 110.2 | I452 R453 F454 R458 L459 L460 | I452-I456 HydrophobicContact CG2-CD1 3.65Å; I452-I456 HydrophobicContact CG2-CG1 4.37Å; I452-I456 WeakPolarHBondContact O-CB 3.29Å; I452-I456 VanDerWaalsContact O-CG1 3.24Å; I452-I456 WeakPolarHBondContact O-CG1 3.18Å; I452-I456 PolarHBondContact O-N 3.11Å; R453-I456 PolarHBondContact O-N 3.26Å; F454-I456 PolarHBondContact O-N 3.04Å; I456-R458 VanDerWaalsContact C-N 3.34Å; I456-R458 PolarHBondContact O-N 3.17Å; I456-L459 PolarHBondContact O-N 2.82Å; I456-L460 HydrophobicContact CG2-CD1 3.59Å; I456-L460 HydrophobicContact CG2-CG 4.14Å; I456-L460 WeakPolarHBondContact O-CB 3.33Å; I456-L460 WeakPolarHBondContact O-CG 3.26Å; I456-L460 PolarHBondContact O-N 3.33Å |
| 457 | Q | 77.9 | Confident | 76.5 | Confident | 120 Ų | 120 | 110.7 Ų | 110.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -41.9 | 178.1 | -172.2 | 169.6 | -12.1 | 0 | 0 | 111.6 | R453 F454 L459 L460 E461 | R453-Q457 VanDerWaalsContact O-CB 3.26Å; R453-Q457 WeakPolarHBondContact O-CB 3.39Å; R453-Q457 PolarHBondContact O-N 3.14Å; F454-Q457 PolarHBondContact O-N 3.34Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.18Å; Q457-L460 PolarHBondContact O-N 3.42Å; Q457-E461 VanDerWaalsContact O-CB 3.32Å; Q457-E461 WeakPolarHBondContact O-CB 3.32Å; Q457-E461 PolarHBondContact O-N 3.5Å |
| 458 | R | 71.8 | Confident | 76.4 | Confident | 136 Ų | 136 | 111 Ų | 111 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.8 | -14.9 | 174.2 | -68.6 | -149.8 | 72.9 | -167.2 | 3.5 | 114.9 | F454 K455 I456 E461 R463 | F454-R458 HydrophobicContact CD1-CG 4.33Å; F454-R458 HydrophobicContact CE1-CG 4.02Å; F454-R458 HydrophobicContact CE2-CG 4.42Å; F454-R458 HydrophobicContact CZ-CG 4.08Å; F454-R458 WeakPolarHBondContact O-CB 3.29Å; F454-R458 WeakPolarHBondContact O-CG 3.24Å; F454-R458 PolarHBondContact O-N 3.33Å; K455-R458 PolarHBondContact O-N 3.47Å; I456-R458 VanDerWaalsContact C-N 3.34Å; I456-R458 PolarHBondContact O-N 3.17Å; R458-E461 IonicContact NE-OE2 3.64Å; R458-R463 PolarHBondContact O-NE 3.4Å; R458-R463 PolarHBondContact O-NH2 3.42Å |
| 459 | L | 69.8 | Low | 76.3 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -90.9 | -34.1 | 172.9 | -73.9 | 166.7 | 0 | 0 | 0 | 111.8 | K455 I456 Q457 | K455-L459 VanDerWaalsContact O-CG 3.27Å; K455-L459 WeakPolarHBondContact O-CG 3.36Å; K455-L459 PolarHBondContact O-N 3.03Å; I456-L459 PolarHBondContact O-N 2.82Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.18Å |
| 460 | L | 70.4 | Confident | 76.4 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 71% | 0.712 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -81.4 | -20 | 174.4 | -65.5 | 176 | 0 | 0 | 0 | 113 | I456 Q457 P462 | I456-L460 HydrophobicContact CG2-CD1 3.59Å; I456-L460 HydrophobicContact CG2-CG 4.14Å; I456-L460 WeakPolarHBondContact O-CB 3.33Å; I456-L460 WeakPolarHBondContact O-CG 3.26Å; I456-L460 PolarHBondContact O-N 3.33Å; Q457-L460 PolarHBondContact O-N 3.42Å; L460-P462 WeakPolarHBondContact O-CD 3.35Å |
| 461 | E | 69.7 | Low | 76.4 | Confident | 106 Ų | 106 | 107.3 Ų | 107.3 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -54.1 | 124.2 | 171.4 | -174 | 170.3 | -150.1 | 0 | 0 | 109.8 | Q457 R458 R463 | Q457-E461 VanDerWaalsContact O-CB 3.32Å; Q457-E461 WeakPolarHBondContact O-CB 3.32Å; Q457-E461 PolarHBondContact O-N 3.5Å; R458-E461 IonicContact NE-OE2 3.64Å; E461-R463 VanDerWaalsContact C-N 3.31Å; E461-R463 PolarHBondContact O-N 2.92Å |
| 462 | P | 59.7 | Low | 76.5 | Confident | 112 Ų | 112 | 109.7 Ų | 109.7 | 73% | 0.727 | 52% | 0.522 | S | S | * | . | trans | -64.5 | 85.2 | -175.9 | -24.5 | 35.3 | 0 | 0 | 0 | 112.8 | L460 Q464 | L460-P462 WeakPolarHBondContact O-CD 3.35Å; P462-Q464 PolarHBondContact O-N 3.49Å | ||
| 463 | R | 61.4 | Low | 76.8 | Confident | 108 Ų | 108 | 107.3 Ų | 107.3 | 41% | 0.408 | 51% | 0.512 | S | S | . | . | trans | -64.9 | 108.4 | -179.5 | -72.1 | 145.2 | 170.1 | -134.8 | 8.1 | 109.9 | R458 E461 Y465 | R458-R463 PolarHBondContact O-NE 3.4Å; R458-R463 PolarHBondContact O-NH2 3.42Å; E461-R463 VanDerWaalsContact C-N 3.31Å; E461-R463 PolarHBondContact O-N 2.92Å; R463-Y465 HydrophobicContact CB-CD1 4.41Å; R463-Y465 HydrophobicContact CB-CD2 3.61Å; R463-Y465 HydrophobicContact CB-CE1 4.13Å; R463-Y465 HydrophobicContact CB-CE2 3.29Å; R463-Y465 HydrophobicContact CB-CG 4.17Å; R463-Y465 WeakPolarHBondContact CD-OH 3.49Å; R463-Y465 HydrophobicContact CG-CE1 4.5Å; R463-Y465 HydrophobicContact CG-CE2 3.88Å; R463-Y465 PolarHBondContact NH1-OH 3.25Å; R463-Y465 PolarHBondContact O-N 2.99Å | ||
| 464 | Q | 69.1 | Low | 76.9 | Confident | 139 Ų | 139 | 100.1 Ų | 100.1 | 65% | 0.65 | 48% | 0.484 | S | S | * | . | trans | -75 | 42.5 | -177.6 | -59.6 | 179.2 | -7.1 | 0 | 0 | 112.8 | P462 M466 L467 | P462-Q464 PolarHBondContact O-N 3.49Å; Q464-M466 PolarHBondContact O-N 2.94Å; Q464-L467 HydrophobicContact CB-CB 4.49Å; Q464-L467 HydrophobicContact CB-CD1 4.07Å; Q464-L467 HydrophobicContact CB-CG 4.31Å; Q464-L467 HydrophobicContact CG-CD1 4.46Å; Q464-L467 PolarHBondContact O-N 2.99Å | ||
| 465 | Y | 68.8 | Low | 77.2 | Confident | 133 Ų | 133 | 95.9 Ų | 95.9 | 52% | 0.522 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -54.6 | -31.7 | -174.2 | -67.1 | -53 | 0 | 0 | 0 | 113.9 | R463 L467 L468 | R463-Y465 HydrophobicContact CB-CD1 4.41Å; R463-Y465 HydrophobicContact CB-CD2 3.61Å; R463-Y465 HydrophobicContact CB-CE1 4.13Å; R463-Y465 HydrophobicContact CB-CE2 3.29Å; R463-Y465 HydrophobicContact CB-CG 4.17Å; R463-Y465 WeakPolarHBondContact CD-OH 3.49Å; R463-Y465 HydrophobicContact CG-CE1 4.5Å; R463-Y465 HydrophobicContact CG-CE2 3.88Å; R463-Y465 PolarHBondContact NH1-OH 3.25Å; R463-Y465 PolarHBondContact O-N 2.99Å; Y465-L467 VanDerWaalsContact C-N 3.28Å; Y465-L467 PolarHBondContact O-N 3.25Å; Y465-L468 PolarHBondContact O-N 3.35Å |
| 466 | M | 69.6 | Low | 77.5 | Confident | 61 Ų | 61 | 97.1 Ų | 97.1 | 30% | 0.3 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -68.6 | -20.6 | 176.3 | -68.2 | -129.4 | -50.6 | 0 | 0 | 114.3 | Q464 L468 L474 F478 L489 F496 | Q464-M466 PolarHBondContact O-N 2.94Å; M466-L468 VanDerWaalsContact C-N 3.3Å; M466-L474 HydrophobicContact CB-CD2 4.27Å; M466-L474 WeakPolarHBondContact O-CD1 3.47Å; M466-L474 WeakPolarHBondContact O-CD2 3.46Å; M466-L474 HydrophobicContact SD-CD2 4.26Å; M466-F478 HydrophobicContact CE-CE1 3.78Å; M466-F478 HydrophobicContact CE-CZ 4.21Å; M466-L489 HydrophobicContact CE-CD2 4.04Å; M466-F496 HydrophobicContact CB-CE1 4.19Å; M466-F496 HydrophobicContact CB-CE2 4.44Å; M466-F496 HydrophobicContact CB-CZ 3.57Å; M466-F496 HydrophobicContact CE-CD2 4.32Å; M466-F496 HydrophobicContact CE-CE1 4.26Å; M466-F496 HydrophobicContact CE-CE2 3.69Å; M466-F496 HydrophobicContact CE-CZ 3.67Å |
| 467 | L | 72.1 | Confident | 77.9 | Confident | 71 Ų | 71 | 96 Ų | 96 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -81.4 | -11.5 | 173.9 | -61.6 | -177.9 | 0 | 0 | 0 | 112.8 | Q464 Y465 H495 F496 | Q464-L467 HydrophobicContact CB-CB 4.49Å; Q464-L467 HydrophobicContact CB-CD1 4.07Å; Q464-L467 HydrophobicContact CB-CG 4.31Å; Q464-L467 HydrophobicContact CG-CD1 4.46Å; Q464-L467 PolarHBondContact O-N 2.99Å; Y465-L467 VanDerWaalsContact C-N 3.28Å; Y465-L467 PolarHBondContact O-N 3.25Å; L467-H495 HydrophobicContact CD2-CB 4.49Å; L467-F496 HydrophobicContact CD2-CE1 3.65Å; L467-F496 HydrophobicContact CD2-CZ 3.63Å; L467-F496 HydrophobicContact CG-CZ 4.35Å |
| 468 | L | 79.6 | Confident | 78.4 | Confident | 143 Ų | 143 | 90.3 Ų | 90.3 | 75% | 0.749 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -93.9 | -5 | 175.7 | -59 | 173.8 | 0 | 0 | 0 | 112.5 | Y465 M466 | Y465-L468 PolarHBondContact O-N 3.35Å; M466-L468 VanDerWaalsContact C-N 3.3Å |
| 469 | L | 83.4 | Confident | 79.1 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 34% | 0.335 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -83.8 | 137.3 | 179 | -69.2 | 176.9 | 0 | 0 | 0 | 110.7 | V473 L474 I477 | L469-V473 HydrophobicContact CD2-CG1 4.49Å; L469-L474 HydrophobicContact CB-CD1 4.45Å; L469-L474 HydrophobicContact CB-CD2 3.99Å; L469-L474 HydrophobicContact CB-CG 3.91Å; L469-L474 HydrophobicContact CD1-CD2 3.98Å; L469-I477 HydrophobicContact CD1-CD1 3.79Å |
| 470 | P | 88.4 | Confident | 80 | Confident | 69 Ų | 69 | 88 Ų | 88 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | trans | -57.6 | 145.1 | 171.9 | -24.3 | 33.8 | 0 | 0 | 0 | 112.3 | H472 V473 L474 | P470-H472 VanDerWaalsContact C-N 3.25Å; P470-H472 VanDerWaalsContact CB-CE1 3.49Å; P470-H472 WeakPolarHBondContact CB-CE1 3.43Å; P470-H472 PolarHBondContact O-N 2.98Å; P470-H472 VanDerWaalsContact O-N 3.14Å; P470-V473 HydrophobicContact CB-CG2 4.24Å; P470-V473 HydrophobicContact CG-CG2 4.35Å; P470-V473 WeakPolarHBondContact O-CA 3.32Å; P470-V473 WeakPolarHBondContact O-CB 3.46Å; P470-V473 PolarHBondContact O-N 3.24Å; P470-L474 PolarHBondContact O-N 2.93Å; P470-L474 VanDerWaalsContact O-N 3.14Å | ||
| 471 | E | 87.1 | Confident | 80.7 | Confident | 98 Ų | 98 | 83.6 Ų | 83.6 | 46% | 0.458 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.5 | -39.2 | -175.4 | -59.9 | -170.3 | 155.4 | 0 | 0 | 113.1 | V473 L474 V475 I499 F503 | E471-V473 PolarHBondContact O-N 3.24Å; E471-L474 PolarHBondContact O-N 3.2Å; E471-L474 VanDerWaalsContact O-N 3.16Å; E471-V475 WeakPolarHBondContact O-CG2 3.35Å; E471-V475 PolarHBondContact O-N 2.84Å; E471-I499 HydrophobicContact CG-CD1 4.19Å; E471-F503 HydrophobicContact CB-CE2 4.3Å |
| 472 | H | 88 | Confident | 80.8 | Confident | 125 Ų | 125 | 81.4 Ų | 81.4 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.9 | -27 | 178.5 | 70.5 | -99.5 | 0 | 0 | 0 | 113.3 | P470 K476 | P470-H472 VanDerWaalsContact C-N 3.25Å; P470-H472 VanDerWaalsContact CB-CE1 3.49Å; P470-H472 WeakPolarHBondContact CB-CE1 3.43Å; P470-H472 PolarHBondContact O-N 2.98Å; P470-H472 VanDerWaalsContact O-N 3.14Å; H472-K476 WeakPolarHBondContact O-CG 3.35Å; H472-K476 PolarHBondContact O-N 3.39Å |
| 473 | V | 90.3 | Very high | 81.3 | Confident | 45 Ų | 45 | 77.2 Ų | 77.2 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.6 | -44.3 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | L469 P470 E471 V475 K476 I477 | L469-V473 HydrophobicContact CD2-CG1 4.49Å; P470-V473 HydrophobicContact CB-CG2 4.24Å; P470-V473 HydrophobicContact CG-CG2 4.35Å; P470-V473 WeakPolarHBondContact O-CA 3.32Å; P470-V473 WeakPolarHBondContact O-CB 3.46Å; P470-V473 PolarHBondContact O-N 3.24Å; E471-V473 PolarHBondContact O-N 3.24Å; V473-V475 PolarHBondContact O-N 2.91Å; V473-K476 PolarHBondContact O-N 3.24Å; V473-I477 HydrophobicContact CG1-CD1 3.92Å; V473-I477 HydrophobicContact CG1-CG1 4.46Å; V473-I477 WeakPolarHBondContact O-CG1 3.06Å; V473-I477 PolarHBondContact O-N 3.15Å |
| 474 | L | 89.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.7 | -70.2 | 172.4 | 0 | 0 | 0 | 112 | M466 L469 P470 E471 K476 I477 F478 F496 I499 | M466-L474 HydrophobicContact CB-CD2 4.27Å; M466-L474 WeakPolarHBondContact O-CD1 3.47Å; M466-L474 WeakPolarHBondContact O-CD2 3.46Å; M466-L474 HydrophobicContact SD-CD2 4.26Å; L469-L474 HydrophobicContact CB-CD1 4.45Å; L469-L474 HydrophobicContact CB-CD2 3.99Å; L469-L474 HydrophobicContact CB-CG 3.91Å; L469-L474 HydrophobicContact CD1-CD2 3.98Å; P470-L474 PolarHBondContact O-N 2.93Å; P470-L474 VanDerWaalsContact O-N 3.14Å; E471-L474 PolarHBondContact O-N 3.2Å; E471-L474 VanDerWaalsContact O-N 3.16Å; L474-K476 VanDerWaalsContact C-N 3.34Å; L474-K476 PolarHBondContact O-N 2.96Å; L474-I477 PolarHBondContact O-N 2.97Å; L474-F478 HydrophobicContact CB-CE2 4.1Å; L474-F478 HydrophobicContact CB-CZ 4.19Å; L474-F478 HydrophobicContact CD2-CE1 4.27Å; L474-F478 HydrophobicContact CD2-CZ 4.02Å; L474-F478 VanDerWaalsContact O-CB 3.28Å; L474-F478 WeakPolarHBondContact O-CB 3.45Å; L474-F478 WeakPolarHBondContact O-CD1 3.28Å; L474-F478 WeakPolarHBondContact O-CD2 3.43Å; L474-F478 WeakPolarHBondContact O-CG 3.08Å; L474-F478 PolarHBondContact O-N 2.76Å; L474-F496 HydrophobicContact CD1-CE1 4.22Å; L474-F496 HydrophobicContact CD2-CE1 4.36Å; L474-I499 HydrophobicContact CB-CD1 4.37Å; L474-I499 HydrophobicContact CD1-CD1 3.62Å |
| 475 | V | 89.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 77.5 Ų | 77.5 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 175 | 168 | 0 | 0 | 0 | 0 | 111.5 | E471 V473 S479 I499 F503 V505 | E471-V475 WeakPolarHBondContact O-CG2 3.35Å; E471-V475 PolarHBondContact O-N 2.84Å; V473-V475 PolarHBondContact O-N 2.91Å; V475-S479 WeakPolarHBondContact O-CB 3.38Å; V475-S479 PolarHBondContact O-N 3.28Å; V475-I499 HydrophobicContact CG2-CG2 3.72Å; V475-F503 HydrophobicContact CG1-CB 4.36Å; V475-F503 HydrophobicContact CG2-CB 3.74Å; V475-F503 HydrophobicContact CG2-CD1 4.28Å; V475-F503 HydrophobicContact CG2-CD2 3.47Å; V475-F503 VanDerWaalsContact CG2-CD2 3.47Å; V475-F503 HydrophobicContact CG2-CE2 4.13Å; V475-F503 HydrophobicContact CG2-CG 3.56Å; V475-V505 HydrophobicContact CB-CG2 4.5Å; V475-V505 HydrophobicContact CG1-CG2 4.12Å; V475-V505 HydrophobicContact CG2-CG2 4.24Å |
| 476 | K | 89.1 | Confident | 82.6 | Confident | 137 Ų | 137 | 71.2 Ų | 71.2 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.1 | -50.9 | 174.3 | -78.3 | -179.6 | 178.3 | 179.4 | 0 | 111.4 | H472 V473 L474 F478 S479 F480 | H472-K476 WeakPolarHBondContact O-CG 3.35Å; H472-K476 PolarHBondContact O-N 3.39Å; V473-K476 PolarHBondContact O-N 3.24Å; L474-K476 VanDerWaalsContact C-N 3.34Å; L474-K476 PolarHBondContact O-N 2.96Å; K476-F478 VanDerWaalsContact C-N 3.32Å; K476-F478 PolarHBondContact O-N 3.41Å; K476-S479 PolarHBondContact O-N 2.9Å; K476-S479 VanDerWaalsContact O-N 3.14Å; K476-S479 PolarHBondContact O-OG 2.82Å; K476-F480 WeakPolarHBondContact O-CD2 3.24Å |
| 477 | I | 89.9 | Confident | 82.9 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.6 | -48.7 | 177.9 | -67.8 | 166.6 | 0 | 0 | 0 | 110.5 | L469 V473 L474 S479 F480 | L469-I477 HydrophobicContact CD1-CD1 3.79Å; V473-I477 HydrophobicContact CG1-CD1 3.92Å; V473-I477 HydrophobicContact CG1-CG1 4.46Å; V473-I477 WeakPolarHBondContact O-CG1 3.06Å; V473-I477 PolarHBondContact O-N 3.15Å; L474-I477 PolarHBondContact O-N 2.97Å; I477-S479 VanDerWaalsContact C-N 3.3Å; I477-S479 PolarHBondContact O-N 3.49Å; I477-F480 PolarHBondContact O-N 2.97Å; I477-F480 VanDerWaalsContact O-N 3.12Å |
| 478 | F | 89.6 | Confident | 83 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -32 | -179.6 | -65.3 | -9.5 | 0 | 0 | 0 | 112.6 | M466 L474 K476 F480 L481 L486 L489 F496 I499 I500 V505 | M466-F478 HydrophobicContact CE-CE1 3.78Å; M466-F478 HydrophobicContact CE-CZ 4.21Å; L474-F478 HydrophobicContact CB-CE2 4.1Å; L474-F478 HydrophobicContact CB-CZ 4.19Å; L474-F478 HydrophobicContact CD2-CE1 4.27Å; L474-F478 HydrophobicContact CD2-CZ 4.02Å; L474-F478 VanDerWaalsContact O-CB 3.28Å; L474-F478 WeakPolarHBondContact O-CB 3.45Å; L474-F478 WeakPolarHBondContact O-CD1 3.28Å; L474-F478 WeakPolarHBondContact O-CD2 3.43Å; L474-F478 WeakPolarHBondContact O-CG 3.08Å; L474-F478 PolarHBondContact O-N 2.76Å; K476-F478 VanDerWaalsContact C-N 3.32Å; K476-F478 PolarHBondContact O-N 3.41Å; F478-F480 PolarHBondContact O-N 2.69Å; F478-L481 HydrophobicContact CD1-CD1 3.94Å; F478-L481 PolarHBondContact O-N 3Å; F478-L481 VanDerWaalsContact O-N 3.11Å; F478-L486 HydrophobicContact CB-CD2 3.77Å; F478-L486 HydrophobicContact CG-CD2 4.2Å; F478-L489 HydrophobicContact CD1-CD1 3.89Å; F478-L489 HydrophobicContact CE1-CD1 3.77Å; F478-L489 HydrophobicContact CZ-CD1 4.48Å; F478-F496 HydrophobicContact CE2-CB 4.17Å; F478-F496 HydrophobicContact CE2-CD1 4.1Å; F478-F496 HydrophobicContact CE2-CG 4.32Å; F478-F496 HydrophobicContact CZ-CB 4.07Å; F478-F496 AromaticContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD2 4.48Å; F478-F496 HydrophobicContact CZ-CE1 4.16Å; F478-F496 AromaticContact CZ-CG 3.8Å; F478-F496 HydrophobicContact CZ-CG 3.8Å; F478-I499 HydrophobicContact CD2-CG2 4.05Å; F478-I499 HydrophobicContact CE2-CB 4.37Å; F478-I499 HydrophobicContact CE2-CG2 3.94Å; F478-I500 HydrophobicContact CD2-CD1 4.17Å; F478-I500 HydrophobicContact CD2-CG1 3.6Å; F478-I500 HydrophobicContact CE2-CD1 4.38Å; F478-I500 HydrophobicContact CE2-CG1 4.04Å; F478-I500 HydrophobicContact CG-CG1 4.33Å; F478-V505 HydrophobicContact CB-CB 4.49Å; F478-V505 HydrophobicContact CB-CG1 3.73Å |
| 479 | S | 86.6 | Confident | 83.1 | Confident | 49 Ų | 49 | 64 Ų | 64 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.3 | -19 | 175.4 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | V475 K476 I477 T508 | V475-S479 WeakPolarHBondContact O-CB 3.38Å; V475-S479 PolarHBondContact O-N 3.28Å; K476-S479 PolarHBondContact O-N 2.9Å; K476-S479 VanDerWaalsContact O-N 3.14Å; K476-S479 PolarHBondContact O-OG 2.82Å; I477-S479 VanDerWaalsContact C-N 3.3Å; I477-S479 PolarHBondContact O-N 3.49Å; S479-T508 PolarHBondContact O-OG1 2.86Å |
| 480 | F | 88.7 | Confident | 83 | Confident | 154 Ų | 154 | 62.4 Ų | 62.4 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.2 | 174.4 | -63.8 | -66 | 0 | 0 | 0 | 113.7 | K476 I477 F478 T508 | K476-F480 WeakPolarHBondContact O-CD2 3.24Å; I477-F480 PolarHBondContact O-N 2.97Å; I477-F480 VanDerWaalsContact O-N 3.12Å; F478-F480 PolarHBondContact O-N 2.69Å; F480-T508 VanDerWaalsContact CA-OG1 3.24Å; F480-T508 WeakPolarHBondContact CA-OG1 3.35Å; F480-T508 PolarHBondContact O-OG1 3.41Å |
| 481 | L | 83.9 | Confident | 82.4 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -89.3 | 143.3 | -178 | -66.2 | -179.6 | 0 | 0 | 0 | 112.7 | F478 A485 L486 L489 A507 T508 | F478-L481 HydrophobicContact CD1-CD1 3.94Å; F478-L481 PolarHBondContact O-N 3Å; F478-L481 VanDerWaalsContact O-N 3.11Å; L481-A485 HydrophobicContact CB-CB 4.16Å; L481-A485 HydrophobicContact CD2-CB 4.43Å; L481-L486 HydrophobicContact CB-CD2 3.85Å; L481-L486 HydrophobicContact CB-CG 3.99Å; L481-L486 HydrophobicContact CD1-CD2 3.97Å; L481-L486 HydrophobicContact CG-CD2 4.48Å; L481-L489 HydrophobicContact CD1-CD1 3.32Å; L481-A507 CarbonylContact O-C 3.56Å; L481-A507 WeakPolarHBondContact O-CA 3.43Å; L481-A507 VanDerWaalsContact O-CB 3.31Å; L481-A507 WeakPolarHBondContact O-CB 3.44Å; L481-T508 PolarHBondContact N-OG1 3.24Å; L481-T508 PolarHBondContact O-N 3.1Å |
| 482 | P | 73.2 | Confident | 82.1 | Confident | 60 Ų | 60 | 65 Ų | 65 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | trans | -71.3 | 160.4 | 171.4 | 30.6 | -35.4 | 0 | 0 | 0 | 111.4 | R484 A485 L486 D509 | P482-R484 PolarHBondContact O-N 3.08Å; P482-R484 VanDerWaalsContact O-N 3.16Å; P482-A485 HydrophobicContact CG-CB 3.97Å; P482-A485 WeakPolarHBondContact O-CA 3.23Å; P482-A485 WeakPolarHBondContact O-CB 3.39Å; P482-A485 PolarHBondContact O-N 3.3Å; P482-L486 PolarHBondContact O-N 2.72Å; P482-D509 WeakPolarHBondContact CA-OD2 3.37Å; P482-D509 VanDerWaalsContact CB-OD2 3.25Å; P482-D509 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 483 | T | 69.6 | Low | 81.7 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -35.6 | -172.3 | -63.5 | 0 | 0 | 0 | 0 | 112 | A485 L486 A487 A507 D509 V535 L573 | T483-A485 VanDerWaalsContact C-N 3.3Å; T483-A485 PolarHBondContact O-N 2.94Å; T483-L486 PolarHBondContact O-N 3.37Å; T483-A487 VanDerWaalsContact O-CB 3.23Å; T483-A487 WeakPolarHBondContact O-CB 3.31Å; T483-A487 PolarHBondContact O-N 3.21Å; T483-A507 WeakPolarHBondContact OG1-CB 3Å; T483-D509 WeakPolarHBondContact CB-OD1 3.04Å; T483-D509 VanDerWaalsContact N-CG 3.3Å; T483-D509 PolarHBondContact N-OD1 3.05Å; T483-D509 PolarHBondContact N-OD2 3.4Å; T483-D509 PolarHBondContact OG1-OD1 2.88Å; T483-V535 HydrophobicContact CG2-CB 4.18Å; T483-V535 HydrophobicContact CG2-CG1 4.19Å; T483-L573 HydrophobicContact CG2-CD1 4.4Å |
| 484 | R | 71.9 | Confident | 81.4 | Confident | 223 Ų | 223 | 65.5 Ų | 65.5 | 84% | 0.842 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60 | -39.2 | 174.5 | -176.2 | 180 | 176.4 | -163.5 | -2.2 | 112.3 | P482 A488 | P482-R484 PolarHBondContact O-N 3.08Å; P482-R484 VanDerWaalsContact O-N 3.16Å; R484-A488 WeakPolarHBondContact O-CB 3.16Å; R484-A488 PolarHBondContact O-N 3.16Å; R484-A488 VanDerWaalsContact O-N 3.08Å |
| 485 | A | 77.1 | Confident | 81.2 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 26% | 0.256 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.5 | -41.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L481 P482 T483 A488 L489 | L481-A485 HydrophobicContact CB-CB 4.16Å; L481-A485 HydrophobicContact CD2-CB 4.43Å; P482-A485 HydrophobicContact CG-CB 3.97Å; P482-A485 WeakPolarHBondContact O-CA 3.23Å; P482-A485 WeakPolarHBondContact O-CB 3.39Å; P482-A485 PolarHBondContact O-N 3.3Å; T483-A485 VanDerWaalsContact C-N 3.3Å; T483-A485 PolarHBondContact O-N 2.94Å; A485-A488 PolarHBondContact O-N 2.71Å; A485-L489 WeakPolarHBondContact O-CG 3.42Å; A485-L489 PolarHBondContact O-N 2.97Å |
| 486 | L | 78.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 173 | -70 | -171.1 | 0 | 0 | 0 | 112.6 | F478 L481 P482 T483 L489 K490 I500 A507 | F478-L486 HydrophobicContact CB-CD2 3.77Å; F478-L486 HydrophobicContact CG-CD2 4.2Å; L481-L486 HydrophobicContact CB-CD2 3.85Å; L481-L486 HydrophobicContact CB-CG 3.99Å; L481-L486 HydrophobicContact CD1-CD2 3.97Å; L481-L486 HydrophobicContact CG-CD2 4.48Å; P482-L486 PolarHBondContact O-N 2.72Å; T483-L486 PolarHBondContact O-N 3.37Å; L486-L489 HydrophobicContact CD2-CD1 4.29Å; L486-L489 PolarHBondContact O-N 3.14Å; L486-K490 WeakPolarHBondContact O-CG 3.38Å; L486-K490 PolarHBondContact O-N 3.43Å; L486-I500 HydrophobicContact CD2-CD1 4.03Å; L486-I500 HydrophobicContact CD2-CG1 4.44Å; L486-A507 HydrophobicContact CD1-CB 3.83Å |
| 487 | A | 73.9 | Confident | 80.7 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T483 C491 | T483-A487 VanDerWaalsContact O-CB 3.23Å; T483-A487 WeakPolarHBondContact O-CB 3.31Å; T483-A487 PolarHBondContact O-N 3.21Å; A487-C491 PolarHBondContact O-N 3.06Å; A487-C491 PolarHBondContact O-SG 2.97Å |
| 488 | A | 75.1 | Confident | 80.4 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 44% | 0.438 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R484 A485 K490 C491 T492 | R484-A488 WeakPolarHBondContact O-CB 3.16Å; R484-A488 PolarHBondContact O-N 3.16Å; R484-A488 VanDerWaalsContact O-N 3.08Å; A485-A488 PolarHBondContact O-N 2.71Å; A488-K490 PolarHBondContact O-N 2.87Å; A488-C491 CarbonylContact O-C 3.57Å; A488-C491 WeakPolarHBondContact O-CA 3.46Å; A488-C491 WeakPolarHBondContact O-CB 3.16Å; A488-C491 PolarHBondContact O-N 3.2Å; A488-T492 WeakPolarHBondContact O-CG2 3.4Å; A488-T492 PolarHBondContact O-N 3.02Å; A488-T492 PolarHBondContact O-OG1 3.39Å |
| 489 | L | 82.2 | Confident | 80.2 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 178 | -75.1 | 168.3 | 0 | 0 | 0 | 113.1 | M466 F478 L481 A485 L486 C491 T492 C493 F496 I500 | M466-L489 HydrophobicContact CE-CD2 4.04Å; F478-L489 HydrophobicContact CD1-CD1 3.89Å; F478-L489 HydrophobicContact CE1-CD1 3.77Å; F478-L489 HydrophobicContact CZ-CD1 4.48Å; L481-L489 HydrophobicContact CD1-CD1 3.32Å; A485-L489 WeakPolarHBondContact O-CG 3.42Å; A485-L489 PolarHBondContact O-N 2.97Å; L486-L489 HydrophobicContact CD2-CD1 4.29Å; L486-L489 PolarHBondContact O-N 3.14Å; L489-C491 PolarHBondContact O-N 3.16Å; L489-T492 WeakPolarHBondContact CA-OG1 3.17Å; L489-T492 PolarHBondContact O-N 3.06Å; L489-T492 PolarHBondContact O-OG1 3.19Å; L489-C493 PolarHBondContact O-N 3.15Å; L489-F496 HydrophobicContact CD2-CD2 3.89Å; L489-F496 HydrophobicContact CD2-CE2 4.31Å; L489-I500 HydrophobicContact CB-CD1 4.17Å |
| 490 | K | 81.3 | Confident | 80 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -28.9 | 172.8 | -75.5 | -162.5 | 174.2 | -153.7 | 0 | 113 | L486 A488 I500 E501 V535 | L486-K490 WeakPolarHBondContact O-CG 3.38Å; L486-K490 PolarHBondContact O-N 3.43Å; A488-K490 PolarHBondContact O-N 2.87Å; K490-I500 HydrophobicContact CD-CG2 4.41Å; K490-I500 HydrophobicContact CG-CB 4.47Å; K490-I500 HydrophobicContact CG-CD1 3.9Å; K490-I500 HydrophobicContact CG-CG2 4.38Å; K490-E501 IonicContact NZ-OE1 2.72Å; K490-E501 PolarHBondContact NZ-OE1 3.16Å; K490-V535 HydrophobicContact CD-CG2 4.42Å |
| 491 | C | 75.9 | Confident | 79.7 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 78% | 0.777 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -90.4 | -22.5 | 179.6 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | A487 A488 L489 | A487-C491 PolarHBondContact O-N 3.06Å; A487-C491 PolarHBondContact O-SG 2.97Å; A488-C491 CarbonylContact O-C 3.57Å; A488-C491 WeakPolarHBondContact O-CA 3.46Å; A488-C491 WeakPolarHBondContact O-CB 3.16Å; A488-C491 PolarHBondContact O-N 3.2Å; L489-C491 PolarHBondContact O-N 3.16Å |
| 492 | T | 80.3 | Confident | 79.5 | Confident | 108 Ų | 108 | 59.6 Ų | 59.6 | 66% | 0.663 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -86.6 | -29.9 | -179.9 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | A488 L489 | A488-T492 WeakPolarHBondContact O-CG2 3.4Å; A488-T492 PolarHBondContact O-N 3.02Å; A488-T492 PolarHBondContact O-OG1 3.39Å; L489-T492 WeakPolarHBondContact CA-OG1 3.17Å; L489-T492 PolarHBondContact O-N 3.06Å; L489-T492 PolarHBondContact O-OG1 3.19Å |
| 493 | C | 80.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | trans | -147.1 | 129.9 | -175.5 | -171.8 | 0 | 0 | 0 | 0 | 113 | L489 H495 F496 K497 | L489-C493 PolarHBondContact O-N 3.15Å; C493-H495 VanDerWaalsContact C-N 3.3Å; C493-H495 PolarHBondContact O-N 3.24Å; C493-F496 HydrophobicContact CB-CB 4.23Å; C493-F496 HydrophobicContact CB-CD2 3.53Å; C493-F496 HydrophobicContact CB-CE2 4.06Å; C493-F496 HydrophobicContact CB-CG 4.01Å; C493-F496 PolarHBondContact O-N 3.28Å; C493-K497 PolarHBondContact O-N 2.79Å | ||
| 494 | H | 84 | Confident | 79.9 | Confident | 147 Ų | 147 | 61.2 Ų | 61.2 | 68% | 0.681 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.1 | -32.4 | 176.5 | -165.4 | -86.4 | 0 | 0 | 0 | 112.9 | K497 G498 | H494-K497 WeakPolarHBondContact O-CB 3.37Å; H494-K497 PolarHBondContact O-N 3.42Å; H494-G498 PolarHBondContact O-N 3.13Å |
| 495 | H | 85.6 | Confident | 80.2 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -47.2 | 176.2 | 175.8 | 68.9 | 0 | 0 | 0 | 111.5 | L467 C493 K497 G498 I499 | L467-H495 HydrophobicContact CD2-CB 4.49Å; C493-H495 VanDerWaalsContact C-N 3.3Å; C493-H495 PolarHBondContact O-N 3.24Å; H495-K497 VanDerWaalsContact C-N 3.34Å; H495-K497 PolarHBondContact O-N 3.18Å; H495-G498 PolarHBondContact O-N 2.85Å; H495-G498 VanDerWaalsContact O-N 3.14Å; H495-I499 WeakPolarHBondContact NE2-CD1 3.45Å; H495-I499 PolarHBondContact O-N 3.2Å |
| 496 | F | 85.9 | Confident | 79.8 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 174.5 | -57.8 | -30.3 | 0 | 0 | 0 | 112.5 | M466 L467 L474 F478 L489 C493 G498 I499 I500 | M466-F496 HydrophobicContact CB-CE1 4.19Å; M466-F496 HydrophobicContact CB-CE2 4.44Å; M466-F496 HydrophobicContact CB-CZ 3.57Å; M466-F496 HydrophobicContact CE-CD2 4.32Å; M466-F496 HydrophobicContact CE-CE1 4.26Å; M466-F496 HydrophobicContact CE-CE2 3.69Å; M466-F496 HydrophobicContact CE-CZ 3.67Å; L467-F496 HydrophobicContact CD2-CE1 3.65Å; L467-F496 HydrophobicContact CD2-CZ 3.63Å; L467-F496 HydrophobicContact CG-CZ 4.35Å; L474-F496 HydrophobicContact CD1-CE1 4.22Å; L474-F496 HydrophobicContact CD2-CE1 4.36Å; F478-F496 HydrophobicContact CE2-CB 4.17Å; F478-F496 HydrophobicContact CE2-CD1 4.1Å; F478-F496 HydrophobicContact CE2-CG 4.32Å; F478-F496 HydrophobicContact CZ-CB 4.07Å; F478-F496 AromaticContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD2 4.48Å; F478-F496 HydrophobicContact CZ-CE1 4.16Å; F478-F496 AromaticContact CZ-CG 3.8Å; F478-F496 HydrophobicContact CZ-CG 3.8Å; L489-F496 HydrophobicContact CD2-CD2 3.89Å; L489-F496 HydrophobicContact CD2-CE2 4.31Å; C493-F496 HydrophobicContact CB-CB 4.23Å; C493-F496 HydrophobicContact CB-CD2 3.53Å; C493-F496 HydrophobicContact CB-CE2 4.06Å; C493-F496 HydrophobicContact CB-CG 4.01Å; C493-F496 PolarHBondContact O-N 3.28Å; F496-G498 VanDerWaalsContact C-N 3.34Å; F496-G498 PolarHBondContact O-N 3.21Å; F496-I499 PolarHBondContact O-N 3.42Å; F496-I500 WeakPolarHBondContact O-CB 3.46Å; F496-I500 WeakPolarHBondContact O-CD1 3.47Å; F496-I500 WeakPolarHBondContact O-CG1 3.44Å; F496-I500 PolarHBondContact O-N 3.42Å |
| 497 | K | 82.2 | Confident | 79.6 | Confident | 69 Ų | 69 | 55 Ų | 55 | 30% | 0.3 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.7 | -49.9 | 169.3 | 179.3 | -176.7 | 175.3 | -75.2 | 0 | 111.2 | C493 H494 H495 I500 E501 | C493-K497 PolarHBondContact O-N 2.79Å; H494-K497 WeakPolarHBondContact O-CB 3.37Å; H494-K497 PolarHBondContact O-N 3.42Å; H495-K497 VanDerWaalsContact C-N 3.34Å; H495-K497 PolarHBondContact O-N 3.18Å; K497-I500 PolarHBondContact O-N 3.27Å; K497-E501 WeakPolarHBondContact CE-OE1 3.47Å; K497-E501 WeakPolarHBondContact CE-OE2 3.44Å; K497-E501 WeakPolarHBondContact CG-OE1 3.11Å; K497-E501 WeakPolarHBondContact CG-OE2 3.43Å; K497-E501 IonicContact NZ-OE1 3.88Å; K497-E501 IonicContact NZ-OE2 2.87Å; K497-E501 PolarHBondContact NZ-OE2 3.1Å; K497-E501 WeakPolarHBondContact O-CB 3.13Å; K497-E501 WeakPolarHBondContact O-CG 3.46Å; K497-E501 PolarHBondContact O-N 2.96Å |
| 498 | G | 81.8 | Confident | 79.7 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.7 | -49.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H494 H495 F496 E501 A502 | H494-G498 PolarHBondContact O-N 3.13Å; H495-G498 PolarHBondContact O-N 2.85Å; H495-G498 VanDerWaalsContact O-N 3.14Å; F496-G498 VanDerWaalsContact C-N 3.34Å; F496-G498 PolarHBondContact O-N 3.21Å; G498-E501 PolarHBondContact O-N 3.2Å; G498-A502 VanDerWaalsContact O-CB 3.23Å; G498-A502 WeakPolarHBondContact O-CB 3.47Å; G498-A502 PolarHBondContact O-N 3.46Å |
| 499 | I | 85.6 | Confident | 79.1 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 177.2 | -69.6 | 176.1 | 0 | 0 | 0 | 111.5 | E471 L474 V475 F478 H495 F496 E501 F503 | E471-I499 HydrophobicContact CG-CD1 4.19Å; L474-I499 HydrophobicContact CB-CD1 4.37Å; L474-I499 HydrophobicContact CD1-CD1 3.62Å; V475-I499 HydrophobicContact CG2-CG2 3.72Å; F478-I499 HydrophobicContact CD2-CG2 4.05Å; F478-I499 HydrophobicContact CE2-CB 4.37Å; F478-I499 HydrophobicContact CE2-CG2 3.94Å; H495-I499 WeakPolarHBondContact NE2-CD1 3.45Å; H495-I499 PolarHBondContact O-N 3.2Å; F496-I499 PolarHBondContact O-N 3.42Å; I499-E501 VanDerWaalsContact C-N 3.26Å; I499-E501 PolarHBondContact O-N 3.11Å; I499-F503 HydrophobicContact CG2-CD2 3.94Å; I499-F503 HydrophobicContact CG2-CE2 4.43Å; I499-F503 WeakPolarHBondContact O-CD2 3.45Å; I499-F503 PolarHBondContact O-N 3.2Å; I499-F503 VanDerWaalsContact O-N 3.09Å |
| 500 | I | 82.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -35.1 | -178.3 | -65.4 | 162.5 | 0 | 0 | 0 | 111 | F478 L486 L489 K490 F496 K497 G504 V505 | F478-I500 HydrophobicContact CD2-CD1 4.17Å; F478-I500 HydrophobicContact CD2-CG1 3.6Å; F478-I500 HydrophobicContact CE2-CD1 4.38Å; F478-I500 HydrophobicContact CE2-CG1 4.04Å; F478-I500 HydrophobicContact CG-CG1 4.33Å; L486-I500 HydrophobicContact CD2-CD1 4.03Å; L486-I500 HydrophobicContact CD2-CG1 4.44Å; L489-I500 HydrophobicContact CB-CD1 4.17Å; K490-I500 HydrophobicContact CD-CG2 4.41Å; K490-I500 HydrophobicContact CG-CB 4.47Å; K490-I500 HydrophobicContact CG-CD1 3.9Å; K490-I500 HydrophobicContact CG-CG2 4.38Å; F496-I500 WeakPolarHBondContact O-CB 3.46Å; F496-I500 WeakPolarHBondContact O-CD1 3.47Å; F496-I500 WeakPolarHBondContact O-CG1 3.44Å; F496-I500 PolarHBondContact O-N 3.42Å; K497-I500 PolarHBondContact O-N 3.27Å; I500-G504 CarbonylContact O-C 3.24Å; I500-G504 WeakPolarHBondContact O-CA 3.23Å; I500-G504 PolarHBondContact O-N 3.17Å; I500-V505 HydrophobicContact CG2-CB 4.27Å; I500-V505 PolarHBondContact O-N 2.99Å |
| 501 | E | 82.4 | Confident | 77 | Confident | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -78.2 | -49.8 | 179.1 | -73 | 166.5 | -173.6 | 0 | 0 | 112.1 | K490 K497 G498 I499 F503 G504 | K490-E501 IonicContact NZ-OE1 2.72Å; K490-E501 PolarHBondContact NZ-OE1 3.16Å; K497-E501 WeakPolarHBondContact CE-OE1 3.47Å; K497-E501 WeakPolarHBondContact CE-OE2 3.44Å; K497-E501 WeakPolarHBondContact CG-OE1 3.11Å; K497-E501 WeakPolarHBondContact CG-OE2 3.43Å; K497-E501 IonicContact NZ-OE1 3.88Å; K497-E501 IonicContact NZ-OE2 2.87Å; K497-E501 PolarHBondContact NZ-OE2 3.1Å; K497-E501 WeakPolarHBondContact O-CB 3.13Å; K497-E501 WeakPolarHBondContact O-CG 3.46Å; K497-E501 PolarHBondContact O-N 2.96Å; G498-E501 PolarHBondContact O-N 3.2Å; I499-E501 VanDerWaalsContact C-N 3.26Å; I499-E501 PolarHBondContact O-N 3.11Å; E501-F503 PolarHBondContact O-N 3.1Å; E501-G504 PolarHBondContact O-N 3.15Å |
| 502 | A | 79.8 | Confident | 75.8 | Confident | 85 Ų | 85 | 60 Ų | 60 | 70% | 0.702 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G498 G504 | G498-A502 VanDerWaalsContact O-CB 3.23Å; G498-A502 WeakPolarHBondContact O-CB 3.47Å; G498-A502 PolarHBondContact O-N 3.46Å; A502-G504 VanDerWaalsContact C-N 3.34Å |
| 503 | F | 80.6 | Confident | 74.4 | Confident | 106 Ų | 106 | 57.5 Ų | 57.5 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.3 | 177.8 | -63.1 | -75.8 | 0 | 0 | 0 | 113.3 | E471 V475 I499 E501 V505 | E471-F503 HydrophobicContact CB-CE2 4.3Å; V475-F503 HydrophobicContact CG1-CB 4.36Å; V475-F503 HydrophobicContact CG2-CB 3.74Å; V475-F503 HydrophobicContact CG2-CD1 4.28Å; V475-F503 HydrophobicContact CG2-CD2 3.47Å; V475-F503 VanDerWaalsContact CG2-CD2 3.47Å; V475-F503 HydrophobicContact CG2-CE2 4.13Å; V475-F503 HydrophobicContact CG2-CG 3.56Å; I499-F503 HydrophobicContact CG2-CD2 3.94Å; I499-F503 HydrophobicContact CG2-CE2 4.43Å; I499-F503 WeakPolarHBondContact O-CD2 3.45Å; I499-F503 PolarHBondContact O-N 3.2Å; I499-F503 VanDerWaalsContact O-N 3.09Å; E501-F503 PolarHBondContact O-N 3.1Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 HydrophobicContact CB-CG2 3.97Å; F503-V505 PolarHBondContact O-N 3.14Å |
| 504 | G | 71.9 | Confident | 72.9 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I500 E501 A502 R506 K532 | I500-G504 CarbonylContact O-C 3.24Å; I500-G504 WeakPolarHBondContact O-CA 3.23Å; I500-G504 PolarHBondContact O-N 3.17Å; E501-G504 PolarHBondContact O-N 3.15Å; A502-G504 VanDerWaalsContact C-N 3.34Å; G504-R506 PolarHBondContact O-N 2.84Å; G504-K532 WeakPolarHBondContact CA-O 3.43Å |
| 505 | V | 77 | Confident | 71.3 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 120.8 | -168.8 | -172 | 0 | 0 | 0 | 0 | 110.6 | V475 F478 I500 F503 | V475-V505 HydrophobicContact CB-CG2 4.5Å; V475-V505 HydrophobicContact CG1-CG2 4.12Å; V475-V505 HydrophobicContact CG2-CG2 4.24Å; F478-V505 HydrophobicContact CB-CB 4.49Å; F478-V505 HydrophobicContact CB-CG1 3.73Å; I500-V505 HydrophobicContact CG2-CB 4.27Å; I500-V505 PolarHBondContact O-N 2.99Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 HydrophobicContact CB-CG2 3.97Å; F503-V505 PolarHBondContact O-N 3.14Å |
| 506 | R | 69.9 | Low | 69.5 | Low | 114 Ų | 114 | 60.8 Ų | 60.8 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 140.7 | 176.8 | -70.4 | 176.4 | 59.1 | -141.6 | -0.2 | 110.2 | G504 S510 | G504-R506 PolarHBondContact O-N 2.84Å; R506-S510 PolarHBondContact NH2-O 3.41Å |
| 507 | A | 73.9 | Confident | 67.6 | Low | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 152.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L481 T483 L486 D509 S510 | L481-A507 CarbonylContact O-C 3.56Å; L481-A507 WeakPolarHBondContact O-CA 3.43Å; L481-A507 VanDerWaalsContact O-CB 3.31Å; L481-A507 WeakPolarHBondContact O-CB 3.44Å; T483-A507 WeakPolarHBondContact OG1-CB 3Å; L486-A507 HydrophobicContact CD1-CB 3.83Å; A507-D509 VanDerWaalsContact C-N 3.27Å; A507-D509 WeakPolarHBondContact CB-OD1 3.16Å; A507-D509 PolarHBondContact O-N 2.98Å; A507-S510 WeakPolarHBondContact O-CB 3.39Å; A507-S510 PolarHBondContact O-N 2.96Å |
| 508 | T | 74.7 | Confident | 66.1 | Low | 93 Ų | 93 | 62.9 Ų | 62.9 | 57% | 0.571 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -33.8 | 179.2 | -38.3 | 0 | 0 | 0 | 0 | 112.9 | S479 F480 L481 S510 | S479-T508 PolarHBondContact O-OG1 2.86Å; F480-T508 VanDerWaalsContact CA-OG1 3.24Å; F480-T508 WeakPolarHBondContact CA-OG1 3.35Å; F480-T508 PolarHBondContact O-OG1 3.41Å; L481-T508 PolarHBondContact N-OG1 3.24Å; L481-T508 PolarHBondContact O-N 3.1Å; T508-S510 VanDerWaalsContact C-N 3.28Å |
| 509 | D | 62.9 | Low | 64.5 | Low | 57 Ų | 57 | 69 Ų | 69 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.3 | 177.6 | 56.9 | 2.1 | 0 | 0 | 0 | 112.7 | P482 T483 A507 R511 L573 | P482-D509 WeakPolarHBondContact CA-OD2 3.37Å; P482-D509 VanDerWaalsContact CB-OD2 3.25Å; P482-D509 WeakPolarHBondContact CB-OD2 3.48Å; T483-D509 WeakPolarHBondContact CB-OD1 3.04Å; T483-D509 VanDerWaalsContact N-CG 3.3Å; T483-D509 PolarHBondContact N-OD1 3.05Å; T483-D509 PolarHBondContact N-OD2 3.4Å; T483-D509 PolarHBondContact OG1-OD1 2.88Å; A507-D509 VanDerWaalsContact C-N 3.27Å; A507-D509 WeakPolarHBondContact CB-OD1 3.16Å; A507-D509 PolarHBondContact O-N 2.98Å; D509-R511 PolarHBondContact O-N 2.65Å; D509-L573 HydrophobicContact CB-CD2 3.63Å; D509-L573 WeakPolarHBondContact O-CD2 3.01Å; D509-L573 WeakPolarHBondContact OD1-CD2 3.48Å |
| 510 | S | 64.9 | Low | 62.8 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | trans | -67.3 | 93 | -176.7 | -177.4 | 0 | 0 | 0 | 0 | 113 | R506 A507 T508 W512 | R506-S510 PolarHBondContact NH2-O 3.41Å; A507-S510 WeakPolarHBondContact O-CB 3.39Å; A507-S510 PolarHBondContact O-N 2.96Å; T508-S510 VanDerWaalsContact C-N 3.28Å; S510-W512 PolarHBondContact O-N 3.37Å; S510-W512 WeakPolarHBondContact OG-CB 3.25Å | ||
| 511 | R | 54 | Low | 61.2 | Low | 163 Ų | 163 | 73.9 Ų | 73.9 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | trans | -76 | 33.9 | 167.5 | -63.6 | 168.6 | 171.5 | -176.8 | 2.7 | 112.9 | D509 N513 D575 N576 | D509-R511 PolarHBondContact O-N 2.65Å; R511-N513 PolarHBondContact O-N 3.33Å; R511-N513 VanDerWaalsContact O-N 3.11Å; R511-D575 HydrophobicContact CB-CB 3.84Å; R511-D575 WeakPolarHBondContact CB-OD1 3.37Å; R511-D575 WeakPolarHBondContact CD-OD1 3.45Å; R511-D575 WeakPolarHBondContact CD-OD2 3.46Å; R511-D575 IonicContact CZ-OD2 3.4Å; R511-D575 IonicContact NE-OD2 2.91Å; R511-D575 IonicContact NH1-OD2 3.17Å; R511-D575 PolarHBondContact NH1-OD2 3.14Å; R511-D575 WeakPolarHBondContact O-CA 3.13Å; R511-N576 PolarHBondContact O-N 3.37Å; R511-N576 VanDerWaalsContact O-N 3.1Å | ||
| 512 | W | 51.7 | Low | 59.7 | Low | 54 Ų | 54 | 72.7 Ų | 72.7 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | trans | -67.6 | 107.8 | 174 | -83.1 | 52.2 | 0 | 0 | 0 | 110.4 | S510 Y518 D534 H574 N576 | S510-W512 PolarHBondContact O-N 3.37Å; S510-W512 WeakPolarHBondContact OG-CB 3.25Å; W512-Y518 HydrophobicContact CE3-CE1 4.01Å; W512-Y518 AromaticContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CZ3-CD1 4.35Å; W512-Y518 AromaticContact CZ3-CE1 3.62Å; W512-Y518 HydrophobicContact CZ3-CE1 3.62Å; W512-D534 VanDerWaalsContact CH2-O 3.29Å; W512-D534 WeakPolarHBondContact CH2-O 3.48Å; W512-D534 WeakPolarHBondContact CZ2-O 3.15Å; W512-H574 VanDerWaalsContact CD1-O 3.26Å; W512-H574 PolarHBondContact NE1-O 3Å; W512-N576 WeakPolarHBondContact CA-ND2 3.27Å; W512-N576 VanDerWaalsContact CD2-ND2 3.27Å | ||
| 513 | N | 50 | Low | 58.6 | Low | 54 Ų | 54 | 68.6 Ų | 68.6 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -63.7 | 147.7 | 166 | -164.9 | -0.6 | 0 | 0 | 0 | 110.5 | R511 D515 N576 | R511-N513 PolarHBondContact O-N 3.33Å; R511-N513 VanDerWaalsContact O-N 3.11Å; N513-D515 PolarHBondContact OD1-N 2.7Å; N513-N576 HydrophobicContact CB-CB 3.73Å; N513-N576 VanDerWaalsContact CB-O 3.28Å; N513-N576 WeakPolarHBondContact CB-O 3.46Å; N513-N576 PolarHBondContact O-ND2 3.06Å | ||
| 514 | R | 49.5 | Very low | 57.1 | Low | 207 Ų | 207 | 68.5 Ų | 68.5 | 78% | 0.781 | 32% | 0.322 | S | S | * | . | trans | -93 | 4.8 | 179.4 | -73.1 | -177.4 | 171.4 | 175.8 | -2.1 | 113.7 | ||||
| 515 | D | 50.3 | Low | 55.8 | Low | 37 Ų | 37 | 73.6 Ų | 73.6 | 20% | 0.198 | 34% | 0.343 | C | S | . | . | trans | -50.6 | 125.4 | 179.6 | -163.7 | -48.8 | 0 | 0 | 0 | 111.4 | N513 L517 Y518 | N513-D515 PolarHBondContact OD1-N 2.7Å; D515-L517 PolarHBondContact O-N 3.36Å; D515-L517 VanDerWaalsContact O-N 3.15Å; D515-L517 WeakPolarHBondContact OD1-CB 3.4Å; D515-L517 WeakPolarHBondContact OD1-CG 3.4Å; D515-L517 PolarHBondContact OD1-N 3.13Å; D515-Y518 PolarHBondContact O-N 3.21Å | ||
| 516 | P | 47.2 | Very low | 54.6 | Low | 85 Ų | 85 | 75.9 Ų | 75.9 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -50.3 | -37.2 | 178 | -28.3 | 35.4 | 0 | 0 | 0 | 113.5 | Y518 R519 D520 | P516-Y518 PolarHBondContact O-N 3.41Å; P516-Y518 VanDerWaalsContact O-N 3.13Å; P516-R519 PolarHBondContact O-N 2.94Å; P516-D520 PolarHBondContact O-N 3.28Å |
| 517 | L | 47.4 | Very low | 53.9 | Low | 119 Ų | 119 | 80.6 Ų | 80.6 | 62% | 0.623 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.6 | -26.5 | -179.1 | -64.4 | 171.8 | 0 | 0 | 0 | 112.9 | D515 W578 | D515-L517 PolarHBondContact O-N 3.36Å; D515-L517 VanDerWaalsContact O-N 3.15Å; D515-L517 WeakPolarHBondContact OD1-CB 3.4Å; D515-L517 WeakPolarHBondContact OD1-CG 3.4Å; D515-L517 PolarHBondContact OD1-N 3.13Å; L517-W578 HydrophobicContact CB-CZ2 4.33Å; L517-W578 HydrophobicContact CD1-CH2 4.35Å |
| 518 | Y | 49.5 | Very low | 53.2 | Low | 11 Ų | 11 | 84.2 Ų | 84.2 | 4% | 0.043 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -86.7 | -39.4 | 178.5 | -172.6 | -84.6 | 0 | 0 | 0 | 113 | W512 D515 P516 D520 D521 Y545 N576 | W512-Y518 HydrophobicContact CE3-CE1 4.01Å; W512-Y518 AromaticContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CZ3-CD1 4.35Å; W512-Y518 AromaticContact CZ3-CE1 3.62Å; W512-Y518 HydrophobicContact CZ3-CE1 3.62Å; D515-Y518 PolarHBondContact O-N 3.21Å; P516-Y518 PolarHBondContact O-N 3.41Å; P516-Y518 VanDerWaalsContact O-N 3.13Å; Y518-D520 PolarHBondContact O-N 3Å; Y518-D521 PolarHBondContact O-N 2.89Å; Y518-Y545 HydrophobicContact CD2-CE1 4.22Å; Y518-Y545 AromaticContact CE2-CE1 3.6Å; Y518-Y545 HydrophobicContact CE2-CE1 3.6Å; Y518-Y545 AromaticContact CE2-CZ 3.75Å; Y518-Y545 VanDerWaalsContact CE2-OH 3.23Å; Y518-Y545 WeakPolarHBondContact CE2-OH 3.18Å; Y518-Y545 PolarHBondContact OH-OH 3.1Å; Y518-N576 HydrophobicContact CD1-CB 4.12Å; Y518-N576 WeakPolarHBondContact CD1-ND2 3.41Å; Y518-N576 HydrophobicContact CD2-CB 3.63Å; Y518-N576 HydrophobicContact CE1-CB 4.34Å; Y518-N576 WeakPolarHBondContact CE1-ND2 3.33Å; Y518-N576 WeakPolarHBondContact CE1-OD1 3.38Å; Y518-N576 HydrophobicContact CE2-CB 3.83Å; Y518-N576 VanDerWaalsContact CE2-CG 3.46Å; Y518-N576 VanDerWaalsContact CE2-OD1 3.3Å; Y518-N576 WeakPolarHBondContact CE2-OD1 3.11Å; Y518-N576 HydrophobicContact CG-CB 3.78Å; Y518-N576 PolarHBondContact OH-OD1 3Å |
| 519 | R | 48.1 | Very low | 52.4 | Low | 159 Ų | 159 | 88.1 Ų | 88.1 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61 | -37.3 | -176.9 | -171.4 | -171.2 | 67.4 | -169.5 | -7.9 | 111.4 | P516 | P516-R519 PolarHBondContact O-N 2.94Å |
| 520 | D | 50.9 | Low | 52.1 | Low | 80 Ų | 80 | 86.3 Ų | 86.3 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 7.7 | -170.8 | -57.4 | -29.8 | 0 | 0 | 0 | 113 | P516 Y518 P522 | P516-D520 PolarHBondContact O-N 3.28Å; Y518-D520 PolarHBondContact O-N 3Å; D520-P522 WeakPolarHBondContact O-CD 3.29Å |
| 521 | D | 49.3 | Very low | 51.4 | Low | 28 Ų | 28 | 93.5 Ų | 93.5 | 15% | 0.15 | 42% | 0.418 | C | S | . | . | trans | -89.4 | 101.1 | 174.6 | 175.7 | 36.9 | 0 | 0 | 0 | 111.7 | Y518 K543 | Y518-D521 PolarHBondContact O-N 2.89Å; D521-K543 VanDerWaalsContact CG-NZ 3.26Å; D521-K543 WeakPolarHBondContact O-CE 3.17Å; D521-K543 PolarHBondContact O-NZ 3.29Å; D521-K543 WeakPolarHBondContact OD2-CE 3.36Å; D521-K543 IonicContact OD2-NZ 3.63Å; D521-K543 PolarHBondContact OD2-NZ 3.33Å | ||
| 522 | P | 50.8 | Low | 51 | Low | 46 Ų | 46 | 94.3 Ų | 94.3 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | trans | -72.2 | 153.1 | 178.8 | 32 | -36.6 | 0 | 0 | 0 | 111.7 | D520 K524 K528 R529 | D520-P522 WeakPolarHBondContact O-CD 3.29Å; P522-K524 PolarHBondContact O-N 3.08Å; P522-K524 VanDerWaalsContact O-N 3.1Å; P522-K528 WeakPolarHBondContact CA-O 3.28Å; P522-R529 HydrophobicContact CB-CG 4.27Å | ||
| 523 | C | 56 | Low | 50.6 | Low | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 43% | 0.425 | C | S | . | . | trans | -59.8 | 118 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | Q525 C526 R527 K528 Y530 | C523-Q525 PolarHBondContact O-N 3.48Å; C523-C526 VanDerWaalsContact CB-SG 3.54Å; C523-C526 PolarHBondContact O-N 3.06Å; C523-C526 VanDerWaalsContact SG-SG 3.61Å; C523-R527 WeakPolarHBondContact O-CA 3.3Å; C523-R527 PolarHBondContact O-N 3.38Å; C523-K528 PolarHBondContact N-O 3.46Å; C523-Y530 HydrophobicContact CB-CE2 4.46Å | ||
| 524 | K | 48.9 | Very low | 50.5 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.1 | -178 | -69.3 | -168.4 | 177.7 | -178.2 | 0 | 114.7 | P522 H546 | P522-K524 PolarHBondContact O-N 3.08Å; P522-K524 VanDerWaalsContact O-N 3.1Å; K524-H546 PolarHBondContact NZ-CE1 2.04Å; K524-H546 PolarHBondContact NZ-ND1 3.44Å; K524-H546 PolarHBondContact NZ-NE2 2.88Å |
| 525 | Q | 45 | Very low | 50.3 | Low | 118 Ų | 118 | 81.9 Ų | 81.9 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -38.1 | -177.9 | -71.4 | 178.6 | -20.6 | 0 | 0 | 114.2 | C523 H541 | C523-Q525 PolarHBondContact O-N 3.48Å; Q525-H541 HydrophobicContact CB-CB 4.15Å; Q525-H541 VanDerWaalsContact OE1-CB 3.22Å; Q525-H541 PolarHBondContact OE1-CD2 3.21Å |
| 526 | C | 51.7 | Low | 49.8 | Very low | 55 Ų | 55 | 82.2 Ų | 82.2 | 37% | 0.372 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 1.2 | 177.5 | 69.4 | 0 | 0 | 0 | 0 | 115 | C523 K528 C538 | C523-C526 VanDerWaalsContact CB-SG 3.54Å; C523-C526 PolarHBondContact O-N 3.06Å; C523-C526 VanDerWaalsContact SG-SG 3.61Å; C526-K528 PolarHBondContact O-N 3Å; C526-C538 PolarHBondContact SG-SG 2.93Å |
| 527 | R | 56 | Low | 49.9 | Very low | 212 Ų | 212 | 82.1 Ų | 82.1 | 80% | 0.8 | 38% | 0.383 | S | S | * | . | trans | 54.1 | 7.9 | -175.4 | -59.2 | -177.2 | -178.7 | 179.2 | 0.2 | 115.9 | C523 R529 | C523-R527 WeakPolarHBondContact O-CA 3.3Å; C523-R527 PolarHBondContact O-N 3.38Å; R527-R529 PolarHBondContact O-N 2.98Å | ||
| 528 | K | 57.6 | Low | 49.7 | Very low | 81 Ų | 81 | 77.3 Ų | 77.3 | 35% | 0.352 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.9 | 176.6 | -158.7 | -158.4 | -178.8 | -156 | 0 | 109.3 | P522 C523 C526 Y530 D534 S536 | P522-K528 WeakPolarHBondContact CA-O 3.28Å; C523-K528 PolarHBondContact N-O 3.46Å; C526-K528 PolarHBondContact O-N 3Å; K528-Y530 HydrophobicContact CD-CE1 4.4Å; K528-D534 IonicContact NZ-OD1 3.49Å; K528-D534 PolarHBondContact NZ-OD1 3.14Å; K528-D534 IonicContact NZ-OD2 2.65Å; K528-D534 PolarHBondContact NZ-OD2 3.04Å; K528-S536 PolarHBondContact NZ-OG 3.1Å |
| 529 | R | 57.8 | Low | 49.1 | Very low | 175 Ų | 175 | 86.4 Ų | 86.4 | 66% | 0.66 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -78 | 141 | 162 | -66.4 | 177.8 | 179 | -111.7 | 2.8 | 107.7 | P522 R527 | P522-R529 HydrophobicContact CB-CG 4.27Å; R527-R529 PolarHBondContact O-N 2.98Å |
| 530 | Y | 56.4 | Low | 48.5 | Very low | 19 Ų | 19 | 87.9 Ų | 87.9 | 8% | 0.075 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 125.8 | -178.1 | -63.8 | -78.8 | 0 | 0 | 0 | 109.7 | C523 K528 D534 S536 C538 K543 | C523-Y530 HydrophobicContact CB-CE2 4.46Å; K528-Y530 HydrophobicContact CD-CE1 4.4Å; Y530-D534 WeakPolarHBondContact CA-OD2 3.21Å; Y530-D534 HydrophobicContact CD1-CB 4.06Å; Y530-S536 VanDerWaalsContact CE1-O 3.23Å; Y530-S536 WeakPolarHBondContact CE1-O 3.46Å; Y530-C538 WeakPolarHBondContact OH-CB 3.39Å; Y530-C538 PolarHBondContact OH-N 3.48Å; Y530-K543 HydrophobicContact CE2-CD 4.25Å |
| 531 | E | 50.9 | Low | 48 | Very low | 158 Ų | 158 | 86.8 Ų | 86.8 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 167.6 | 178.5 | -68.6 | -175.3 | -178.2 | 0 | 0 | 111.7 | G533 D534 | E531-G533 PolarHBondContact O-N 3.38Å; E531-D534 PolarHBondContact N-OD2 3.13Å; E531-D534 VanDerWaalsContact N-OD2 3.16Å; E531-D534 WeakPolarHBondContact O-CB 3.49Å; E531-D534 PolarHBondContact O-N 2.85Å |
| 532 | K | 45.5 | Very low | 47.6 | Very low | 180 Ų | 180 | 89.6 Ų | 89.6 | 78% | 0.783 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 105 | -177.5 | -176.6 | -173.7 | 174.8 | -167.1 | 0 | 109.6 | G504 | G504-K532 WeakPolarHBondContact CA-O 3.43Š|
| 533 | G | 43.6 | Very low | 47.3 | Very low | 17 Ų | 17 | 87.9 Ų | 87.9 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.7 | 5.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E531 V535 | E531-G533 PolarHBondContact O-N 3.38Å; G533-V535 PolarHBondContact O-N 2.91Å |
| 534 | D | 49 | Very low | 46.5 | Very low | 16 Ų | 16 | 89.5 Ų | 89.5 | 9% | 0.086 | 41% | 0.41 | C | S | . | . | trans | -69.5 | 79.9 | 168.1 | -106 | -25.1 | 0 | 0 | 0 | 111.4 | W512 K528 Y530 E531 S536 | W512-D534 VanDerWaalsContact CH2-O 3.29Å; W512-D534 WeakPolarHBondContact CH2-O 3.48Å; W512-D534 WeakPolarHBondContact CZ2-O 3.15Å; K528-D534 IonicContact NZ-OD1 3.49Å; K528-D534 PolarHBondContact NZ-OD1 3.14Å; K528-D534 IonicContact NZ-OD2 2.65Å; K528-D534 PolarHBondContact NZ-OD2 3.04Å; Y530-D534 WeakPolarHBondContact CA-OD2 3.21Å; Y530-D534 HydrophobicContact CD1-CB 4.06Å; E531-D534 PolarHBondContact N-OD2 3.13Å; E531-D534 VanDerWaalsContact N-OD2 3.16Å; E531-D534 WeakPolarHBondContact O-CB 3.49Å; E531-D534 PolarHBondContact O-N 2.85Å; D534-S536 PolarHBondContact O-N 3.47Å; D534-S536 PolarHBondContact OD1-OG 3.18Å | ||
| 535 | V | 44 | Very low | 46.2 | Very low | 20 Ų | 20 | 87.2 Ų | 87.2 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | trans | -67.3 | -3.6 | 160.7 | -82.8 | 0 | 0 | 0 | 0 | 112.7 | T483 K490 G533 L537 | T483-V535 HydrophobicContact CG2-CB 4.18Å; T483-V535 HydrophobicContact CG2-CG1 4.19Å; K490-V535 HydrophobicContact CD-CG2 4.42Å; G533-V535 PolarHBondContact O-N 2.91Å; V535-L537 PolarHBondContact O-N 3.4Å | ||
| 536 | S | 40.6 | Very low | 45.9 | Very low | 45 Ų | 45 | 85.1 Ų | 85.1 | 32% | 0.315 | 39% | 0.389 | S | S | . | . | trans | -73.4 | 107.3 | 169.8 | 74.9 | 0 | 0 | 0 | 0 | 109.8 | K528 Y530 D534 | K528-S536 PolarHBondContact NZ-OG 3.1Å; Y530-S536 VanDerWaalsContact CE1-O 3.23Å; Y530-S536 WeakPolarHBondContact CE1-O 3.46Å; D534-S536 PolarHBondContact O-N 3.47Å; D534-S536 PolarHBondContact OD1-OG 3.18Å | ||
| 537 | L | 49.1 | Very low | 45.5 | Very low | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | trans | -54.4 | 148.7 | 148.1 | -57.6 | 173.5 | 0 | 0 | 0 | 108.3 | V535 R539 H574 | V535-L537 PolarHBondContact O-N 3.4Å; L537-R539 PolarHBondContact O-N 2.65Å; L537-H574 VanDerWaalsContact CD1-CD2 3.44Å; L537-H574 WeakPolarHBondContact CD1-CD2 3.23Å; L537-H574 WeakPolarHBondContact CD1-NE2 3.23Å; L537-H574 HydrophobicContact CD2-CB 4.15Å; L537-H574 WeakPolarHBondContact CD2-CD2 3.4Å | ||
| 538 | C | 43 | Very low | 44.9 | Very low | 17 Ų | 17 | 81.5 Ų | 81.5 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | trans | -55.7 | 113.1 | 168 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | C526 Y530 W540 H541 | C526-C538 PolarHBondContact SG-SG 2.93Å; Y530-C538 WeakPolarHBondContact OH-CB 3.39Å; Y530-C538 PolarHBondContact OH-N 3.48Å; C538-W540 PolarHBondContact O-N 3.38Å; C538-H541 HydrophobicContact CB-CB 4.08Å; C538-H541 PolarHBondContact O-N 2.76Å; C538-H541 VanDerWaalsContact O-N 3.1Å; C538-H541 PolarHBondContact SG-ND1 3.1Å | ||
| 539 | R | 37.6 | Very low | 44.6 | Very low | 203 Ų | 203 | 81.9 Ų | 81.9 | 77% | 0.766 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6.2 | -167.5 | -164.9 | 155.8 | 77.7 | 95 | -10 | 114.4 | L537 | L537-R539 PolarHBondContact O-N 2.65Š|
| 540 | W | 34.2 | Very low | 44.2 | Very low | 189 Ų | 189 | 79.3 Ų | 79.3 | 72% | 0.716 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | -13.6 | -173.2 | -54.9 | 110.3 | 0 | 0 | 0 | 113.7 | C538 | C538-W540 PolarHBondContact O-N 3.38Š|
| 541 | H | 40.2 | Very low | 43.8 | Very low | 57 Ų | 57 | 89.2 Ų | 89.2 | 26% | 0.264 | 43% | 0.429 | S | S | . | . | trans | -137 | 112.7 | -166.7 | -55.9 | 131.1 | 0 | 0 | 0 | 111.7 | Q525 C538 K543 | Q525-H541 HydrophobicContact CB-CB 4.15Å; Q525-H541 VanDerWaalsContact OE1-CB 3.22Å; Q525-H541 PolarHBondContact OE1-CD2 3.21Å; C538-H541 HydrophobicContact CB-CB 4.08Å; C538-H541 PolarHBondContact O-N 2.76Å; C538-H541 VanDerWaalsContact O-N 3.1Å; C538-H541 PolarHBondContact SG-ND1 3.1Å; H541-K543 PolarHBondContact O-N 2.8Å | ||
| 542 | P | 41.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 83.5 Ų | 83.5 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | trans | -63.6 | 126 | 166.6 | 28 | -32.1 | 0 | 0 | 0 | 108.3 | P544 | P542-P544 WeakPolarHBondContact O-CD 3.44Š| ||
| 543 | K | 43.4 | Very low | 43 | Very low | 10 Ų | 10 | 83.2 Ų | 83.2 | 4% | 0.043 | 41% | 0.407 | C | S | . | . | trans | -68.5 | 114.1 | -177.9 | -151.4 | -175.2 | -173.9 | -161.3 | 0 | 108.8 | D521 Y530 H541 Y545 | D521-K543 VanDerWaalsContact CG-NZ 3.26Å; D521-K543 WeakPolarHBondContact O-CE 3.17Å; D521-K543 PolarHBondContact O-NZ 3.29Å; D521-K543 WeakPolarHBondContact OD2-CE 3.36Å; D521-K543 IonicContact OD2-NZ 3.63Å; D521-K543 PolarHBondContact OD2-NZ 3.33Å; Y530-K543 HydrophobicContact CE2-CD 4.25Å; H541-K543 PolarHBondContact O-N 2.8Å; K543-Y545 HydrophobicContact CB-CE2 4.18Å; K543-Y545 HydrophobicContact CD-CE1 3.69Å; K543-Y545 WeakPolarHBondContact CD-OH 3.45Å; K543-Y545 HydrophobicContact CG-CE1 4.4Å; K543-Y545 PolarHBondContact O-N 3.46Å | ||
| 544 | P | 40.1 | Very low | 42.9 | Very low | 34 Ų | 34 | 83.9 Ų | 83.9 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | trans | -84.1 | 105.2 | 175.9 | -0.6 | 21 | 0 | 0 | 0 | 107.2 | P542 | P542-P544 WeakPolarHBondContact O-CD 3.44Š| ||
| 545 | Y | 42.5 | Very low | 42.5 | Very low | 54 Ų | 54 | 89.8 Ų | 89.8 | 21% | 0.212 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 145.8 | 174.4 | -63.6 | -79.7 | 0 | 0 | 0 | 109.5 | Y518 K543 Y555 W556 | Y518-Y545 HydrophobicContact CD2-CE1 4.22Å; Y518-Y545 AromaticContact CE2-CE1 3.6Å; Y518-Y545 HydrophobicContact CE2-CE1 3.6Å; Y518-Y545 AromaticContact CE2-CZ 3.75Å; Y518-Y545 VanDerWaalsContact CE2-OH 3.23Å; Y518-Y545 WeakPolarHBondContact CE2-OH 3.18Å; Y518-Y545 PolarHBondContact OH-OH 3.1Å; K543-Y545 HydrophobicContact CB-CE2 4.18Å; K543-Y545 HydrophobicContact CD-CE1 3.69Å; K543-Y545 WeakPolarHBondContact CD-OH 3.45Å; K543-Y545 HydrophobicContact CG-CE1 4.4Å; K543-Y545 PolarHBondContact O-N 3.46Å; Y545-Y555 WeakPolarHBondContact O-CA 3.45Å; Y545-W556 PolarHBondContact N-O 3.32Å; Y545-W556 PolarHBondContact O-N 2.74Å |
| 546 | H | 39.8 | Very low | 42.4 | Very low | 75 Ų | 75 | 95.5 Ų | 95.5 | 35% | 0.347 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.6 | 172 | 59.5 | -52.5 | 0 | 0 | 0 | 108.3 | K524 S554 Y555 | K524-H546 PolarHBondContact NZ-CE1 2.04Å; K524-H546 PolarHBondContact NZ-ND1 3.44Å; K524-H546 PolarHBondContact NZ-NE2 2.88Å; H546-S554 VanDerWaalsContact CA-O 3.27Å; H546-S554 WeakPolarHBondContact CA-O 2.98Å; H546-Y555 HydrophobicContact CB-CD1 4.49Å |
| 547 | H | 41.5 | Very low | 42.3 | Very low | 90 Ų | 90 | 100.3 Ų | 100.3 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120 | 162.2 | -163.4 | -36.8 | 0 | 0 | 0 | 106.8 | L549 S554 | H547-L549 PolarHBondContact O-N 3.17Å; H547-S554 PolarHBondContact N-O 2.88Å; H547-S554 PolarHBondContact O-N 2.76Å; H547-S554 PolarHBondContact O-OG 3.21Å |
| 548 | D | 44 | Very low | 42.1 | Very low | 100 Ų | 100 | 98.2 Ų | 98.2 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 107.8 | 169.4 | -66.8 | -29.3 | 0 | 0 | 0 | 107 | R553 | D548-R553 WeakPolarHBondContact OD1-CG 3.18Å |
| 549 | L | 51.5 | Low | 42 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 158 | 170.4 | -72.1 | 171 | 0 | 0 | 0 | 108.2 | H547 Y551 G552 | H547-L549 PolarHBondContact O-N 3.17Å; L549-Y551 PolarHBondContact O-N 3.01Å; L549-G552 PolarHBondContact N-O 3.19Å; L549-G552 PolarHBondContact O-N 2.96Å |
| 550 | P | 50.4 | Low | 42 | Very low | 121 Ų | 121 | 100 Ų | 100 | 79% | 0.786 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -12.1 | 178.4 | 22 | -33.4 | 0 | 0 | 0 | 114.6 | ||
| 551 | Y | 47.1 | Very low | 42.4 | Very low | 226 Ų | 226 | 101.1 Ų | 101.1 | 89% | 0.886 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 11.6 | 176.1 | -59.9 | -77.6 | 0 | 0 | 0 | 114 | L549 | L549-Y551 PolarHBondContact O-N 3.01Š|
| 552 | G | 40.7 | Very low | 42.5 | Very low | 39 Ų | 39 | 102.7 Ų | 102.7 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | -179.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L549 S554 | L549-G552 PolarHBondContact N-O 3.19Å; L549-G552 PolarHBondContact O-N 2.96Å; G552-S554 PolarHBondContact O-N 3.11Å |
| 553 | R | 40 | Very low | 42.6 | Very low | 174 Ų | 174 | 102.6 Ų | 102.6 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 107.3 | -179.3 | -59.8 | -170.2 | 173.6 | 155.8 | 3.4 | 110.6 | D548 Y555 | D548-R553 WeakPolarHBondContact OD1-CG 3.18Å; R553-Y555 HydrophobicContact CB-CE2 4.26Å |
| 554 | S | 41.2 | Very low | 42.9 | Very low | 30 Ų | 30 | 109.3 Ų | 109.3 | 21% | 0.21 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.5 | 172.2 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | H546 H547 G552 | H546-S554 VanDerWaalsContact CA-O 3.27Å; H546-S554 WeakPolarHBondContact CA-O 2.98Å; H547-S554 PolarHBondContact N-O 2.88Å; H547-S554 PolarHBondContact O-N 2.76Å; H547-S554 PolarHBondContact O-OG 3.21Å; G552-S554 PolarHBondContact O-N 3.11Å |
| 555 | Y | 41 | Very low | 43.2 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 55% | 0.549 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.2 | -179.8 | -61.4 | -86.7 | 0 | 0 | 0 | 110.7 | Y545 H546 R553 | Y545-Y555 WeakPolarHBondContact O-CA 3.45Å; H546-Y555 HydrophobicContact CB-CD1 4.49Å; R553-Y555 HydrophobicContact CB-CE2 4.26Å |
| 556 | W | 40 | Very low | 43.1 | Very low | 141 Ų | 141 | 114.3 Ų | 114.3 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.5 | 172.6 | -68.8 | 92.3 | 0 | 0 | 0 | 110 | Y545 T566 | Y545-W556 PolarHBondContact N-O 3.32Å; Y545-W556 PolarHBondContact O-N 2.74Å; W556-T566 HydrophobicContact CZ3-CG2 4.26Å |
| 557 | M | 39 | Very low | 43 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 72% | 0.719 | 57% | 0.566 | S | S | * | * | trans | -84 | 116.8 | 171.4 | -69.6 | -171.4 | -72.2 | 0 | 0 | 109.4 | C559 | M557-C559 PolarHBondContact O-N 3.45Š| ||
| 558 | C | 46.1 | Very low | 43.3 | Very low | 39 Ų | 39 | 115.3 Ų | 115.3 | 26% | 0.264 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -67.7 | 96.6 | 177.4 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | H574 | C558-H574 PolarHBondContact SG-CE1 2.91Š|
| 559 | C | 40.6 | Very low | 43.4 | Very low | 63 Ų | 63 | 111 Ų | 111 | 43% | 0.426 | 56% | 0.557 | S | S | . | * | trans | 67.6 | 85.5 | 163.7 | -49.5 | 0 | 0 | 0 | 0 | 117.8 | M557 C569 | M557-C559 PolarHBondContact O-N 3.45Å; C559-C569 HydrophobicContact CB-CB 4.47Å; C559-C569 WeakPolarHBondContact CB-SG 3.45Å; C559-C569 WeakPolarHBondContact SG-CB 3.37Å; C559-C569 CovalentContact SG-SG 2.04Å; C559-C569 PolarHBondContact SG-SG 2.89Å | ||
| 560 | R | 36.8 | Very low | 43 | Very low | 194 Ų | 194 | 114.9 Ų | 114.9 | 73% | 0.732 | 57% | 0.566 | S | S | * | * | trans | -75.1 | 152.7 | 135.2 | -79.7 | -172.8 | 174.3 | -171.6 | -0.3 | 108.4 | A562 D563 | R560-A562 PolarHBondContact O-N 3.37Å; R560-D563 PolarHBondContact O-N 3.26Å | ||
| 561 | R | 42.3 | Very low | 42.8 | Very low | 212 Ų | 212 | 116.7 Ų | 116.7 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -14.6 | -168.9 | -162.4 | -177.9 | -72.9 | 171.8 | -3.7 | 114.5 | R564 | R561-R564 WeakPolarHBondContact O-CD 3.1Å; R561-R564 WeakPolarHBondContact O-CG 3.07Å |
| 562 | A | 43.1 | Very low | 42.6 | Very low | 90 Ų | 90 | 109.4 Ų | 109.4 | 74% | 0.744 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R560 R564 | R560-A562 PolarHBondContact O-N 3.37Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.42Å |
| 563 | D | 44.2 | Very low | 42.8 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | trans | -95.4 | 31.1 | -165.1 | -47.2 | -58.4 | 0 | 0 | 0 | 113.2 | R560 E565 T566 | R560-D563 PolarHBondContact O-N 3.26Å; D563-E565 PolarHBondContact O-N 3.03Å; D563-T566 HydrophobicContact CB-CG2 4.06Å; D563-T566 PolarHBondContact O-N 3.42Å; D563-T566 PolarHBondContact O-OG1 3.18Å | ||
| 564 | R | 48.7 | Very low | 43.1 | Very low | 152 Ų | 152 | 103.4 Ų | 103.4 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -1.3 | -173.3 | -86.7 | 176.2 | 157 | -170.6 | -7 | 116.3 | R561 A562 C569 | R561-R564 WeakPolarHBondContact O-CD 3.1Å; R561-R564 WeakPolarHBondContact O-CG 3.07Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.42Å; R564-C569 CarbonylContact C-O 3.57Å; R564-C569 VanDerWaalsContact C-O 3.24Å |
| 565 | E | 45.9 | Very low | 43.1 | Very low | 150 Ų | 150 | 104.9 Ų | 104.9 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -9.6 | -177.3 | -62.9 | -165.5 | 162 | 0 | 0 | 113.2 | D563 R570 | D563-E565 PolarHBondContact O-N 3.03Å; E565-R570 PolarHBondContact O-NH2 2.99Å; E565-R570 VanDerWaalsContact O-NH2 3.1Å |
| 566 | T | 41.6 | Very low | 43.4 | Very low | 42 Ų | 42 | 98.3 Ų | 98.3 | 26% | 0.258 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -60.2 | 143.1 | 178.9 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | W556 D563 G568 C569 | W556-T566 HydrophobicContact CZ3-CG2 4.26Å; D563-T566 HydrophobicContact CB-CG2 4.06Å; D563-T566 PolarHBondContact O-N 3.42Å; D563-T566 PolarHBondContact O-OG1 3.18Å; T566-G568 PolarHBondContact O-N 3.04Å; T566-C569 PolarHBondContact O-N 3Å; T566-C569 WeakPolarHBondContact OG1-CB 3.38Å |
| 567 | P | 37.9 | Very low | 43.5 | Very low | 117 Ų | 117 | 97.1 Ų | 97.1 | 76% | 0.76 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 114 | 174 | 25.2 | -32.4 | 0 | 0 | 0 | 109.2 | ||
| 568 | G | 47.2 | Very low | 43.8 | Very low | 70 Ų | 70 | 96 Ų | 96 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.7 | -9.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T566 | T566-G568 PolarHBondContact O-N 3.04Š|
| 569 | C | 45.5 | Very low | 43.5 | Very low | 8 Ų | 8 | 96.8 Ų | 96.8 | 5% | 0.054 | 51% | 0.507 | C | S | . | . | trans | -125.7 | 74 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | C559 R564 T566 | C559-C569 HydrophobicContact CB-CB 4.47Å; C559-C569 WeakPolarHBondContact CB-SG 3.45Å; C559-C569 WeakPolarHBondContact SG-CB 3.37Å; C559-C569 CovalentContact SG-SG 2.04Å; C559-C569 PolarHBondContact SG-SG 2.89Å; R564-C569 CarbonylContact C-O 3.57Å; R564-C569 VanDerWaalsContact C-O 3.24Å; T566-C569 PolarHBondContact O-N 3Å; T566-C569 WeakPolarHBondContact OG1-CB 3.38Å | ||
| 570 | R | 44.7 | Very low | 43.4 | Very low | 173 Ų | 173 | 100.6 Ų | 100.6 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -132.6 | 91 | 164.4 | -67.9 | -169.4 | -170.1 | -148.1 | -1.9 | 111.7 | E565 | E565-R570 PolarHBondContact O-NH2 2.99Å; E565-R570 VanDerWaalsContact O-NH2 3.1Å |
| 571 | L | 44.9 | Very low | 43.3 | Very low | 158 Ų | 158 | 96 Ų | 96 | 83% | 0.827 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 68.9 | 66.6 | 164.1 | -54.3 | 175.8 | 0 | 0 | 0 | 117.7 | L573 | L571-L573 PolarHBondContact O-N 3.01Š|
| 572 | G | 44.1 | Very low | 43 | Very low | 73 Ų | 73 | 92 Ų | 92 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 79.9 | 9.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 573 | L | 43.9 | Very low | 42.6 | Very low | 48 Ų | 48 | 94.8 Ų | 94.8 | 25% | 0.251 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -126.3 | 149 | 161.8 | -114.9 | 81.3 | 0 | 0 | 0 | 109.7 | T483 D509 L571 D575 | T483-L573 HydrophobicContact CG2-CD1 4.4Å; D509-L573 HydrophobicContact CB-CD2 3.63Å; D509-L573 WeakPolarHBondContact O-CD2 3.01Å; D509-L573 WeakPolarHBondContact OD1-CD2 3.48Å; L571-L573 PolarHBondContact O-N 3.01Å; L573-D575 PolarHBondContact O-N 3.33Å |
| 574 | H | 46.4 | Very low | 42.6 | Very low | 39 Ų | 39 | 94.3 Ų | 94.3 | 18% | 0.181 | 54% | 0.539 | C | S | . | . | trans | -93.4 | 105.8 | -179.2 | -70.8 | -101.5 | 0 | 0 | 0 | 109.8 | W512 L537 C558 | W512-H574 VanDerWaalsContact CD1-O 3.26Å; W512-H574 PolarHBondContact NE1-O 3Å; L537-H574 VanDerWaalsContact CD1-CD2 3.44Å; L537-H574 WeakPolarHBondContact CD1-CD2 3.23Å; L537-H574 WeakPolarHBondContact CD1-NE2 3.23Å; L537-H574 HydrophobicContact CD2-CB 4.15Å; L537-H574 WeakPolarHBondContact CD2-CD2 3.4Å; C558-H574 PolarHBondContact SG-CE1 2.91Å | ||
| 575 | D | 41.8 | Very low | 41.9 | Very low | 62 Ų | 62 | 93.9 Ų | 93.9 | 33% | 0.332 | 55% | 0.553 | S | S | . | * | trans | -82.6 | 116.9 | 171.7 | -54.7 | 0.1 | 0 | 0 | 0 | 107 | R511 L573 N577 | R511-D575 HydrophobicContact CB-CB 3.84Å; R511-D575 WeakPolarHBondContact CB-OD1 3.37Å; R511-D575 WeakPolarHBondContact CD-OD1 3.45Å; R511-D575 WeakPolarHBondContact CD-OD2 3.46Å; R511-D575 IonicContact CZ-OD2 3.4Å; R511-D575 IonicContact NE-OD2 2.91Å; R511-D575 IonicContact NH1-OD2 3.17Å; R511-D575 PolarHBondContact NH1-OD2 3.14Å; R511-D575 WeakPolarHBondContact O-CA 3.13Å; L573-D575 PolarHBondContact O-N 3.33Å; D575-N577 PolarHBondContact O-N 2.91Å; D575-N577 VanDerWaalsContact O-N 3.15Å | ||
| 576 | N | 47.2 | Very low | 41.6 | Very low | 2 Ų | 2 | 90.4 Ų | 90.4 | 1% | 0.011 | 56% | 0.557 | C | S | . | * | trans | -83 | 16.6 | 177.3 | -45 | -23.5 | 0 | 0 | 0 | 111.4 | R511 W512 N513 Y518 W578 | R511-N576 PolarHBondContact O-N 3.37Å; R511-N576 VanDerWaalsContact O-N 3.1Å; W512-N576 WeakPolarHBondContact CA-ND2 3.27Å; W512-N576 VanDerWaalsContact CD2-ND2 3.27Å; N513-N576 HydrophobicContact CB-CB 3.73Å; N513-N576 VanDerWaalsContact CB-O 3.28Å; N513-N576 WeakPolarHBondContact CB-O 3.46Å; N513-N576 PolarHBondContact O-ND2 3.06Å; Y518-N576 HydrophobicContact CD1-CB 4.12Å; Y518-N576 WeakPolarHBondContact CD1-ND2 3.41Å; Y518-N576 HydrophobicContact CD2-CB 3.63Å; Y518-N576 HydrophobicContact CE1-CB 4.34Å; Y518-N576 WeakPolarHBondContact CE1-ND2 3.33Å; Y518-N576 WeakPolarHBondContact CE1-OD1 3.38Å; Y518-N576 HydrophobicContact CE2-CB 3.83Å; Y518-N576 VanDerWaalsContact CE2-CG 3.46Å; Y518-N576 VanDerWaalsContact CE2-OD1 3.3Å; Y518-N576 WeakPolarHBondContact CE2-OD1 3.11Å; Y518-N576 HydrophobicContact CG-CB 3.78Å; Y518-N576 PolarHBondContact OH-OD1 3Å; N576-W578 VanDerWaalsContact C-N 3.31Å; N576-W578 VanDerWaalsContact O-CD1 3.27Å; N576-W578 PolarHBondContact O-N 2.85Å | ||
| 577 | N | 42.3 | Very low | 41.2 | Very low | 115 Ų | 115 | 91.8 Ų | 91.8 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | trans | -93 | 59.6 | -175.6 | -159.5 | 36.5 | 0 | 0 | 0 | 111.1 | D575 | D575-N577 PolarHBondContact O-N 2.91Å; D575-N577 VanDerWaalsContact O-N 3.15Å | ||
| 578 | W | 45.5 | Very low | 40.8 | Very low | 122 Ų | 122 | 89.5 Ų | 89.5 | 46% | 0.462 | 58% | 0.578 | S | S | . | * | trans | -88.7 | -9.6 | 175.8 | 59 | -90.7 | 0 | 0 | 0 | 112.9 | L517 N576 L580 | L517-W578 HydrophobicContact CB-CZ2 4.33Å; L517-W578 HydrophobicContact CD1-CH2 4.35Å; N576-W578 VanDerWaalsContact C-N 3.31Å; N576-W578 VanDerWaalsContact O-CD1 3.27Å; N576-W578 PolarHBondContact O-N 2.85Å; W578-L580 VanDerWaalsContact C-N 3.31Å; W578-L580 PolarHBondContact O-N 2.92Å | ||
| 579 | V | 39.1 | Very low | 40.2 | Very low | 56 Ų | 56 | 98.2 Ų | 98.2 | 34% | 0.339 | 59% | 0.589 | S | S | . | * | trans | -74.9 | 85.4 | 173.3 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | P581 | V579-P581 WeakPolarHBondContact O-CD 3.38Š| ||
| 580 | L | 39.3 | Very low | 39.8 | Very low | 144 Ų | 144 | 102.5 Ų | 102.5 | 75% | 0.754 | 63% | 0.625 | S | S | * | * | trans | -63.9 | 123.1 | 154.6 | -79 | 164.7 | 0 | 0 | 0 | 107.4 | W578 C582 | W578-L580 VanDerWaalsContact C-N 3.31Å; W578-L580 PolarHBondContact O-N 2.92Å; L580-C582 PolarHBondContact O-N 3.27Å; L580-C582 VanDerWaalsContact O-N 3.08Å | ||
| 581 | P | 34.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 98 Ų | 98 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | trans | -64.6 | 113.1 | 168.4 | -16.4 | 30.5 | 0 | 0 | 0 | 108.3 | V579 N583 | V579-P581 WeakPolarHBondContact O-CD 3.38Å; P581-N583 PolarHBondContact O-N 3.17Å | ||
| 582 | C | 35.8 | Very low | 39.1 | Very low | 129 Ų | 129 | 102.3 Ų | 102.3 | 87% | 0.872 | 64% | 0.637 | S | S | * | * | trans | -72.7 | 58.1 | 164.7 | -74.9 | 0 | 0 | 0 | 0 | 110.5 | L580 | L580-C582 PolarHBondContact O-N 3.27Å; L580-C582 VanDerWaalsContact O-N 3.08Å | ||
| 583 | N | 35.7 | Very low | 38.6 | Very low | 147 Ų | 147 | 107.5 Ų | 107.5 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | trans | -101.4 | 117.7 | 166.8 | -78.7 | -5.4 | 0 | 0 | 0 | 107.6 | P581 | P581-N583 PolarHBondContact O-N 3.17Š| ||
| 584 | G | 43 | Very low | 38.3 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | trans | -69.1 | 135.9 | -157.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G586 | G584-G586 PolarHBondContact O-N 3.13Š| ||
| 585 | V | 34.3 | Very low | 38 | Very low | 142 Ų | 142 | 115.7 Ų | 115.7 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | -73.9 | 114 | 149.5 | 175.4 | 0 | 0 | 0 | 0 | 106.7 | G587 | V585-G587 VanDerWaalsContact C-N 3.29Å; V585-G587 PolarHBondContact O-N 3.37Å | ||
| 586 | G | 39.8 | Very low | 37.6 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | -65.7 | 87.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G584 G588 | G584-G586 PolarHBondContact O-N 3.13Å; G586-G588 PolarHBondContact O-N 3.23Å; G586-G588 VanDerWaalsContact O-N 3.1Å | ||
| 587 | G | 31.9 | Very low | 37.2 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 104.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | V585 | V585-G587 VanDerWaalsContact C-N 3.29Å; V585-G587 PolarHBondContact O-N 3.37Å | ||
| 588 | G | 29.7 | Very low | 36.9 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -55.8 | 140.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G586 A590 | G586-G588 PolarHBondContact O-N 3.23Å; G586-G588 VanDerWaalsContact O-N 3.1Å; G588-A590 VanDerWaalsContact C-N 3.28Å; G588-A590 PolarHBondContact O-N 3.29Å | ||
| 589 | R | 35.8 | Very low | 36.4 | Very low | 254 Ų | 254 | 135.9 Ų | 135.9 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -60.4 | 93.9 | 161.7 | -79.2 | -179.4 | 165.6 | -165.6 | -4.3 | 108.3 | G591 | R589-G591 PolarHBondContact O-N 3.42Å; R589-G591 VanDerWaalsContact O-N 3.13Å | ||
| 590 | A | 35.7 | Very low | 36.2 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -64.3 | 109 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | G588 R592 | G588-A590 VanDerWaalsContact C-N 3.28Å; G588-A590 PolarHBondContact O-N 3.29Å; A590-R592 PolarHBondContact O-N 3.39Å | ||
| 591 | G | 37.6 | Very low | 36.1 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -61.1 | 130.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R589 | R589-G591 PolarHBondContact O-N 3.42Å; R589-G591 VanDerWaalsContact O-N 3.13Å | ||
| 592 | R | 37.4 | Very low | 36.2 | Very low | 250 Ų | 250 | 143.3 Ų | 143.3 | 94% | 0.943 | 84% | 0.842 | S | S | * | * | trans | -102.4 | 108.6 | 159.9 | -155.3 | 175.2 | -166.5 | -167 | 2 | 107.7 | A590 | A590-R592 PolarHBondContact O-N 3.39Š| ||
| 593 | E | 34.6 | Very low | 36.2 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -43 | 125.5 | 179.8 | -163.6 | 175 | 159.2 | 0 | 0 | 113 | ||||
| 594 | E | 37 | Very low | 36.3 | Very low | 203 Ų | 203 | 144.2 Ų | 144.2 | 95% | 0.949 | 84% | 0.844 | S | S | * | * | trans | -88.9 | 115.5 | 161.3 | -179.1 | 170.4 | -167.1 | 0 | 0 | 106.8 | ||||
| 595 | G | 41.5 | Very low | 35.7 | Very low | 56 Ų | 56 | 149.8 Ų | 149.8 | 58% | 0.577 | 85% | 0.848 | S | S | * | * | trans | -157.7 | 69.5 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 596 | R | 33.2 | Very low | 35.8 | Very low | 319 Ų | 319 | 150.5 Ų | 150.5 | 100% | 1.204 | 85% | 0.847 | S | S | * | * | trans | 79.7 | 0 | 164.1 | -166 | -178.5 | -68.9 | -109.6 | 1.2 | 118.3 |
Retrieved 596 of 596 residues in 176.4 ms
(Link to these results)