| 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 | 31.9 | Very low | 28.7 | Very low | 243 Ų | 243 | 148.7 Ų | 148.7 | 100% | 1.197 | 84% | 0.835 | S | S | * | * | 0 | 83 | 0 | -65.6 | 176.2 | 170.8 | 0 | 0 | 105.6 | |||||
| 2 | A | 34.3 | Very low | 28.6 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | 76.6 | 104.3 | 80.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 3 | S | 31.1 | Very low | 28.5 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | 167.2 | 101.6 | 146.2 | 54.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 4 | G | 30 | Very low | 28.6 | Very low | 64 Ų | 64 | 142.1 Ų | 142.1 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | cis | 77.8 | 87.4 | 31.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | D | 30.1 | Very low | 28.6 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -139.4 | 97.5 | 152.7 | -89.6 | -24.1 | 0 | 0 | 0 | 108.7 | ||||
| 6 | T | 26 | Very low | 28.6 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 62% | 0.62 | 83% | 0.831 | S | S | * | * | trans | -74 | 125.7 | 168.9 | -16.9 | 0 | 0 | 0 | 0 | 108.1 | Y8 | T6-Y8 HydrophobicContact CG2-CD2 3.96Å; T6-Y8 HydrophobicContact CG2-CE2 3.35Å | ||
| 7 | L | 24.3 | Very low | 28.8 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -105.1 | 105.9 | 163.6 | -148 | 94 | 0 | 0 | 0 | 108.3 | ||||
| 8 | Y | 25.1 | Very low | 28.7 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -84.7 | 131.1 | 168.3 | -69.6 | -92.3 | 0 | 0 | 0 | 108.7 | T6 | T6-Y8 HydrophobicContact CG2-CD2 3.96Å; T6-Y8 HydrophobicContact CG2-CE2 3.35Å | ||
| 9 | I | 27.7 | Very low | 28.6 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -116.4 | 114.1 | 156.3 | -59 | 179 | 0 | 0 | 0 | 105.3 | ||||
| 10 | E | 25 | Very low | 28.4 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -61.8 | 132.1 | 175.3 | -71.6 | 177.9 | 149.3 | 0 | 0 | 110.3 | ||||
| 11 | T | 29.8 | Very low | 28.2 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -76.2 | 139.4 | 171.7 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | D | 27.9 | Very low | 27.8 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -131.2 | 120 | 150.4 | -139 | -3.8 | 0 | 0 | 0 | 108.5 | ||||
| 13 | G | 27.8 | Very low | 27.4 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 103.4 | 90.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 14 | S | 28.8 | Very low | 27 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 75.2 | 98.3 | 144.3 | 56.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 15 | E | 28.7 | Very low | 26.6 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 71.5 | 93.2 | 126.1 | -69.6 | 179.4 | 145.7 | 0 | 0 | 123.4 | |||||
| 16 | M | 29.6 | Very low | 26.4 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | 53.7 | 158.4 | 131.5 | -48.9 | -148.8 | -57.2 | 0 | 0 | 123.6 | ||||
| 17 | P | 31.5 | Very low | 26.1 | Very low | 121 Ų | 121 | 154.4 Ų | 154.4 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | -121 | 156.4 | -73.1 | 33.2 | -15.2 | 0 | 0 | 0 | 113 | |||||
| 18 | A | 26.6 | Very low | 26.2 | Very low | 92 Ų | 92 | 152.3 Ų | 152.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -86.6 | 124.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I20 | A18-I20 PolarHBondContact O-N 3.1Š| ||
| 19 | E | 28.1 | Very low | 26.1 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -70.9 | 122.3 | 165.1 | -107.8 | 178 | 162.7 | 0 | 0 | 109.4 | ||||
| 20 | I | 24.4 | Very low | 25.9 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -89.2 | 114 | 172.5 | -63.3 | 167.7 | 0 | 0 | 0 | 106.1 | A18 | A18-I20 PolarHBondContact O-N 3.1Š| ||
| 21 | V | 24.3 | Very low | 25.9 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | trans | -87.1 | 112.6 | 169.7 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | L23 | V21-L23 PolarHBondContact O-N 3.13Š| ||
| 22 | E | 23.4 | Very low | 25.6 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -66.3 | 109.9 | 167.7 | -108.8 | 179.6 | 164.7 | 0 | 0 | 109.2 | H24 | E22-H24 PolarHBondContact O-N 3.35Š| ||
| 23 | L | 24.8 | Very low | 25.6 | Very low | 163 Ų | 163 | 146 Ų | 146 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -78.4 | 111.9 | 170.5 | -72.2 | 167 | 0 | 0 | 0 | 108.7 | V21 | V21-L23 PolarHBondContact O-N 3.13Š| ||
| 24 | H | 23.4 | Very low | 25.5 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 73% | 0.731 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 141.8 | 168.1 | -76.5 | 68.5 | 0 | 0 | 0 | 110 | E22 | E22-H24 PolarHBondContact O-N 3.35Š| ||
| 25 | E | 22.3 | Very low | 25.4 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -56 | 133.8 | -178.7 | -78.8 | 175.5 | 146.1 | 0 | 0 | 112.3 | ||||
| 26 | I | 24.8 | Very low | 25.2 | Very low | 151 Ų | 151 | 152 Ų | 152 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | trans | -92.8 | 113.3 | 172.3 | -60.1 | 170.8 | 0 | 0 | 0 | 107.2 | V28 | I26-V28 HydrophobicContact CG2-CG2 4.35Š| ||
| 27 | E | 21 | Very low | 24.9 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -74.2 | 125.8 | 168 | -86.1 | -175.9 | 150.6 | 0 | 0 | 109.9 | ||||
| 28 | V | 25.1 | Very low | 24.6 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -108.7 | 108.7 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | I26 | I26-V28 HydrophobicContact CG2-CG2 4.35Š| ||
| 29 | E | 22.7 | Very low | 24.4 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 127.3 | 168 | -82.6 | -168.3 | 149.8 | 0 | 0 | 110.3 | ||
| 30 | T | 24.9 | Very low | 24.2 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 120.7 | 172.5 | 48.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 31 | I | 24 | Very low | 24 | Very low | 148 Ų | 148 | 152 Ų | 152 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 123.2 | 176.4 | -53.2 | 175.2 | 0 | 0 | 0 | 108.6 | ||
| 32 | P | 23.9 | Very low | 24.1 | Very low | 114 Ų | 114 | 150 Ų | 150 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.4 | 175.5 | 29.1 | -31.2 | 0 | 0 | 0 | 111.3 | ||
| 33 | V | 27.2 | Very low | 24.1 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -85.9 | 112.3 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 34 | E | 26.1 | Very low | 24.1 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -81.4 | 138.2 | 167.3 | -69.8 | -168.4 | 157.6 | 0 | 0 | 111 | ||||
| 35 | T | 27.1 | Very low | 24.4 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -65.2 | 131.8 | -176.8 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 36 | I | 24.6 | Very low | 24.8 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -120.5 | 124.2 | 175.3 | -53.2 | 176.1 | 0 | 0 | 0 | 110.3 | ||||
| 37 | E | 22.9 | Very low | 25.2 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 152.6 | 171.6 | -69.1 | -174.2 | 147.1 | 0 | 0 | 112.2 | ||||
| 38 | T | 25.6 | Very low | 25.8 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -104.3 | 136.3 | -175.6 | 46 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 39 | T | 21 | Very low | 26.3 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -119.7 | 131.8 | 163.4 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | V | 23.6 | Very low | 26.7 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | trans | -78.2 | 126.1 | -178.3 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 41 | V | 22.1 | Very low | 27 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -120 | 116.9 | 159 | -169 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 42 | G | 25.9 | Very low | 27.3 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | -71.8 | 133.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 43 | G | 22.8 | Very low | 27.6 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | -129.4 | 121.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108 | D45 | G43-D45 PolarHBondContact O-N 3.31Š| ||
| 44 | D | 25 | Very low | 27.6 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -69 | 101 | 173.6 | -59.2 | -64 | 0 | 0 | 0 | 109.3 | ||||
| 45 | D | 29.4 | Very low | 27.7 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | -128.9 | 110 | 164.5 | -80.2 | -53.6 | 0 | 0 | 0 | 108.8 | G43 D47 | G43-D45 PolarHBondContact O-N 3.31Å; D45-D47 PolarHBondContact O-N 3.24Å | ||
| 46 | D | 31.3 | Very low | 27.7 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -65.7 | 63 | 174.8 | -65.9 | -57.7 | 0 | 0 | 0 | 111.2 | D48 | D46-D48 VanDerWaalsContact C-N 3.33Å; D46-D48 PolarHBondContact O-N 3.47Å | ||
| 47 | D | 33.7 | Very low | 27.6 | Very low | 83 Ų | 83 | 129 Ų | 129 | 44% | 0.444 | 75% | 0.747 | S | S | . | * | trans | -82.9 | 82.6 | 165.8 | -77.2 | -38.7 | 0 | 0 | 0 | 108.5 | D45 D49 | D45-D47 PolarHBondContact O-N 3.24Å; D47-D49 PolarHBondContact O-N 2.81Å | ||
| 48 | D | 32.2 | Very low | 27.7 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | trans | -64.3 | 67.8 | 164 | -79.7 | -42.1 | 0 | 0 | 0 | 109.8 | D46 D50 | D46-D48 VanDerWaalsContact C-N 3.33Å; D46-D48 PolarHBondContact O-N 3.47Å; D48-D50 PolarHBondContact O-N 3.48Å | ||
| 49 | D | 36.6 | Very low | 27.6 | Very low | 99 Ų | 99 | 125 Ų | 125 | 53% | 0.529 | 74% | 0.736 | S | S | . | * | trans | -70.6 | 105 | 152.7 | -85.7 | -48.4 | 0 | 0 | 0 | 105.9 | D47 D51 R295 | D47-D49 PolarHBondContact O-N 2.81Å; D49-D51 PolarHBondContact O-N 3.42Å; D49-R295 IonicContact OD1-NH2 3.03Å | ||
| 50 | D | 31 | Very low | 27.8 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 55% | 0.551 | 74% | 0.735 | S | S | * | * | trans | -58.7 | 75.1 | 157.1 | -82 | -78 | 0 | 0 | 0 | 107.4 | D48 T351 K354 | D48-D50 PolarHBondContact O-N 3.48Å; D50-T351 WeakPolarHBondContact OD2-CG2 2.96Å; D50-K354 IonicContact OD1-NZ 3.15Å; D50-K354 PolarHBondContact OD1-NZ 2.99Å; D50-K354 IonicContact OD2-NZ 3.8Å | ||
| 51 | D | 31.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 65% | 0.652 | 73% | 0.732 | S | S | * | * | trans | -81.7 | 107.8 | 163.1 | -170.5 | 64.3 | 0 | 0 | 0 | 106.3 | D49 G53 | D49-D51 PolarHBondContact O-N 3.42Å; D51-G53 PolarHBondContact O-N 3.11Å | ||
| 52 | D | 30 | Very low | 27.9 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -54.8 | 101.3 | 170.3 | -70.6 | -63.4 | 0 | 0 | 0 | 108.4 | ||||
| 53 | G | 30.6 | Very low | 28.2 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | -61.5 | 145 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | D51 | D51-G53 PolarHBondContact O-N 3.11Š| ||
| 54 | Q | 27 | Very low | 28.3 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | -136.5 | 145.9 | 133.5 | -114.3 | -179.5 | -102.1 | 0 | 0 | 109.5 | ||||
| 55 | P | 27.6 | Very low | 28.4 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -74.2 | 149.4 | -163.2 | 29.7 | -33.4 | 0 | 0 | 0 | 113.6 | ||||
| 56 | M | 27 | Very low | 28.1 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | trans | -51.3 | 130.5 | 174.6 | -58.3 | -84.2 | -84.6 | 0 | 0 | 112.6 | ||||
| 57 | I | 23.3 | Very low | 28.1 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -97.9 | 97.3 | 147.2 | -61.5 | 174.5 | 0 | 0 | 0 | 105.1 | ||||
| 58 | A | 24 | Very low | 27.8 | Very low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | trans | -78.3 | 120.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q60 | A58-Q60 PolarHBondContact O-N 2.82Š| ||
| 59 | L | 24.9 | Very low | 27.5 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | trans | -77.7 | 106.6 | 167.2 | -68.3 | 168.2 | 0 | 0 | 0 | 107.3 | ||||
| 60 | Q | 24.6 | Very low | 27 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -99 | 146 | 157.4 | -72.8 | -171.1 | -4.7 | 0 | 0 | 108.6 | A58 L62 | A58-Q60 PolarHBondContact O-N 2.82Å; Q60-L62 PolarHBondContact O-N 3.16Å |
| 61 | P | 24.9 | Very low | 26.7 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 116.2 | -177.7 | 30.3 | -31.2 | 0 | 0 | 0 | 110 | ||
| 62 | L | 22.5 | Very low | 26.4 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 117.6 | 155.8 | -130.1 | 94.2 | 0 | 0 | 0 | 106.8 | Q60 T64 | Q60-L62 PolarHBondContact O-N 3.16Å; L62-T64 HydrophobicContact CD2-CG2 3.95Å; L62-T64 PolarHBondContact O-N 3.39Å; L62-T64 VanDerWaalsContact O-N 3.13Å |
| 63 | V | 31.6 | Very low | 26.1 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -65.6 | 108.9 | 165.9 | -179 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 64 | T | 25.1 | Very low | 25.9 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | trans | -134.3 | 114.1 | 162.4 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | L62 D66 | L62-T64 HydrophobicContact CD2-CG2 3.95Å; L62-T64 PolarHBondContact O-N 3.39Å; L62-T64 VanDerWaalsContact O-N 3.13Å; T64-D66 PolarHBondContact O-N 3.03Å; T64-D66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | D | 27 | Very low | 25.8 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -64.1 | 97 | 166.4 | -63.7 | -67.7 | 0 | 0 | 0 | 109.7 | ||||
| 66 | D | 24.6 | Very low | 25.7 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | -152.1 | 115.3 | 163.6 | -151 | -33.6 | 0 | 0 | 0 | 111.7 | T64 S68 | T64-D66 PolarHBondContact O-N 3.03Å; T64-D66 VanDerWaalsContact O-N 3.1Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.34Å; D66-S68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | P | 29.8 | Very low | 25.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -88.5 | 52.1 | -170.5 | 36.1 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 68 | S | 29 | Very low | 25.6 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | -140 | 53 | -174.8 | -49.8 | 0 | 0 | 0 | 0 | 114.1 | D66 | D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.34Å; D66-S68 VanDerWaalsContact O-N 3.08Å | ||
| 69 | S | 25.8 | Very low | 25.7 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -148.1 | 124.1 | 165.8 | -83.6 | 0 | 0 | 0 | 0 | 112.4 | H71 | S69-H71 PolarHBondContact O-N 3.46Š| ||
| 70 | I | 25.4 | Very low | 25.7 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | trans | -78.6 | 109.9 | 178.4 | -63.3 | 157.4 | 0 | 0 | 0 | 108.2 | ||||
| 71 | H | 24.9 | Very low | 25.6 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 70% | 0.704 | 69% | 0.686 | S | S | * | * | trans | -91.3 | 128.4 | 167.5 | -76.3 | -82.8 | 0 | 0 | 0 | 109.8 | S69 H73 | S69-H71 PolarHBondContact O-N 3.46Å; H71-H73 PolarHBondContact O-N 3.33Å | ||
| 72 | H | 24.2 | Very low | 25.6 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | -79.8 | 107.3 | 177.3 | -137 | 76.4 | 0 | 0 | 0 | 108.6 | ||||
| 73 | H | 25.2 | Very low | 25.8 | Very low | 158 Ų | 158 | 131 Ų | 131 | 73% | 0.731 | 69% | 0.687 | S | S | * | * | trans | -84.3 | 130.6 | 172.7 | -73.4 | -90.5 | 0 | 0 | 0 | 109.3 | H71 | H71-H73 PolarHBondContact O-N 3.33Š| ||
| 74 | Q | 25.3 | Very low | 25.4 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | -113.5 | 112 | 169.1 | -160.7 | 165.2 | 23.5 | 0 | 0 | 107.5 | ||||
| 75 | E | 24.2 | Very low | 25.5 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | -80.4 | 135.3 | 175.2 | -67.9 | -177 | 155.9 | 0 | 0 | 109.5 | ||||
| 76 | V | 25.8 | Very low | 25.5 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 58% | 0.582 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.8 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | L106 | V76-L106 HydrophobicContact CG1-CD2 3.93Å |
| 77 | I | 25.4 | Very low | 25.6 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 55% | 0.554 | 69% | 0.692 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.5 | 174.6 | -61.5 | 165.2 | 0 | 0 | 0 | 108 | V79 V109 | I77-V79 HydrophobicContact CG2-CG2 4.15Å; I77-V109 HydrophobicContact CD1-CG2 4.48Å |
| 78 | L | 24.2 | Very low | 25.4 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 53% | 0.529 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.5 | 172.6 | -145.3 | 97.5 | 0 | 0 | 0 | 108.3 | L106 | L78-L106 HydrophobicContact CD1-CD2 3.64Å |
| 79 | V | 26 | Very low | 25.2 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 46% | 0.455 | 69% | 0.692 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.2 | 171.4 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | I77 | I77-V79 HydrophobicContact CG2-CG2 4.15Å |
| 80 | Q | 23.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 55% | 0.547 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 119.9 | 179.8 | -154 | 170 | 7.6 | 0 | 0 | 108.1 | ||
| 81 | T | 23.4 | Very low | 25.5 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 56% | 0.558 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 121.1 | 174.8 | 52 | 0 | 0 | 0 | 0 | 109.3 | ||
| 82 | R | 24.5 | Very low | 25.6 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 121 | 174.2 | -172.9 | 174.2 | 177.9 | -131.5 | -15.8 | 109 | E84 | R82-E84 IonicContact CZ-OE1 3.06Å; R82-E84 IonicContact NH1-OE1 2.74Å; R82-E84 PolarHBondContact NH1-OE1 2.96Å; R82-E84 IonicContact NH2-OE1 3.08Å; R82-E84 PolarHBondContact NH2-OE1 3.49Å |
| 83 | E | 26.4 | Very low | 25.8 | Very low | 186 Ų | 186 | 126.8 Ų | 126.8 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 121.2 | 164.9 | -76.5 | -172.3 | 129.4 | 0 | 0 | 108.9 | ||
| 84 | E | 23.1 | Very low | 26.1 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | -95 | 114.5 | 163.9 | -75.1 | -159.8 | 151.5 | 0 | 0 | 109.3 | R82 V86 | R82-E84 IonicContact CZ-OE1 3.06Å; R82-E84 IonicContact NH1-OE1 2.74Å; R82-E84 PolarHBondContact NH1-OE1 2.96Å; R82-E84 IonicContact NH2-OE1 3.08Å; R82-E84 PolarHBondContact NH2-OE1 3.49Å; E84-V86 PolarHBondContact O-N 3.02Å | ||
| 85 | V | 27.9 | Very low | 26.1 | Very low | 139 Ų | 139 | 128 Ų | 128 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | trans | -78.7 | 108.1 | 170.9 | -179.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 86 | V | 26.9 | Very low | 26.1 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -78.6 | 119.6 | 170.2 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | E84 | E84-V86 PolarHBondContact O-N 3.02Š| ||
| 87 | G | 25.8 | Very low | 26.2 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -68.5 | 150.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 88 | G | 25.8 | Very low | 26.1 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -134.2 | 121.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 89 | D | 26 | Very low | 26.1 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -64.6 | 128.5 | 178 | 39.5 | -54.4 | 0 | 0 | 0 | 113.5 | ||||
| 90 | D | 27.9 | Very low | 25.9 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | 171.9 | 117.9 | 121.8 | -90.2 | -34.2 | 0 | 0 | 0 | 113.4 | |||||
| 91 | S | 29.3 | Very low | 26 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | 35.2 | 117.8 | 148.9 | 48.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 92 | D | 26 | Very low | 26.2 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | 100.9 | 108.8 | 129.3 | -70.5 | -24.8 | 0 | 0 | 0 | 122.1 | |||||
| 93 | L | 27.8 | Very low | 26.3 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | 99.2 | 87.1 | 142.4 | -63.9 | 165.4 | 0 | 0 | 0 | 120.6 | ||||
| 94 | H | 32.1 | Very low | 26.4 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | 43.3 | 102.9 | 136.5 | -68.3 | 76.5 | 0 | 0 | 0 | 120.8 | ||||
| 95 | T | 25.5 | Very low | 26.6 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | -143.7 | 142 | 143.7 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 96 | D | 25.4 | Very low | 26.6 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | 15.6 | 126 | 165.5 | -69.7 | -36.3 | 0 | 0 | 0 | 122.7 | G98 | D96-G98 PolarHBondContact O-N 3.06Å; D96-G98 VanDerWaalsContact O-N 3.15Å | ||
| 97 | G | 26.1 | Very low | 26.8 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 92% | 0.918 | 72% | 0.717 | S | S | * | * | trans | -70.2 | 100.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 98 | G | 24.4 | Very low | 26.9 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | trans | -95.2 | 109.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D96 | D96-G98 PolarHBondContact O-N 3.06Å; D96-G98 VanDerWaalsContact O-N 3.15Å | ||
| 99 | G | 24.3 | Very low | 27 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 127.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 100 | G | 22.4 | Very low | 27.2 | Very low | 82 Ų | 82 | 113 Ų | 113 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | trans | -61.2 | 144.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 101 | F | 25.6 | Very low | 27.1 | Very low | 190 Ų | 190 | 107.5 Ų | 107.5 | 83% | 0.833 | 65% | 0.65 | S | S | * | * | trans | -105 | 125.3 | 170.8 | -77 | -87.8 | 0 | 0 | 0 | 108.8 | ||||
| 102 | E | 26.6 | Very low | 27 | Very low | 139 Ų | 139 | 109.3 Ų | 109.3 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | trans | -72.1 | 117.1 | 164.9 | -63.5 | 177.7 | 137.8 | 0 | 0 | 108.5 | Q104 | E102-Q104 PolarHBondContact O-N 3.3Š| ||
| 103 | D | 27.8 | Very low | 27.3 | Very low | 109 Ų | 109 | 105.9 Ų | 105.9 | 58% | 0.583 | 66% | 0.66 | S | S | * | * | trans | -80.9 | 111 | 174.6 | -81.7 | -23.4 | 0 | 0 | 0 | 109.8 | ||||
| 104 | Q | 27 | Very low | 27.5 | Very low | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 125 | 171.5 | -65 | -179.3 | 21.6 | 0 | 0 | 110.2 | E102 | E102-Q104 PolarHBondContact O-N 3.3Å |
| 105 | I | 28.8 | Very low | 27.4 | Very low | 62 Ų | 62 | 104.2 Ų | 104.2 | 32% | 0.318 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.9 | 177.7 | -58.6 | 175.8 | 0 | 0 | 0 | 108.9 | I107 | I105-I107 HydrophobicContact CG2-CD1 4.43Å; I105-I107 HydrophobicContact CG2-CG1 3.95Å |
| 106 | L | 27.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.4 | 172.7 | -66.4 | 172.4 | 0 | 0 | 0 | 109.6 | V76 L78 | V76-L106 HydrophobicContact CG1-CD2 3.93Å; L78-L106 HydrophobicContact CD1-CD2 3.64Å |
| 107 | I | 30 | Very low | 27.7 | Very low | 97 Ų | 97 | 105.9 Ų | 105.9 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.8 | 174.5 | -53 | 178.7 | 0 | 0 | 0 | 108.4 | I105 V109 | I105-I107 HydrophobicContact CG2-CD1 4.43Å; I105-I107 HydrophobicContact CG2-CG1 3.95Å; I107-V109 PolarHBondContact O-N 3.17Å |
| 108 | P | 28 | Very low | 27.8 | Very low | 83 Ų | 83 | 111.4 Ų | 111.4 | 54% | 0.539 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.8 | 172.4 | 26.7 | -30 | 0 | 0 | 0 | 110.1 | ||
| 109 | V | 28.1 | Very low | 27.8 | Very low | 57 Ų | 57 | 113.1 Ų | 113.1 | 35% | 0.345 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -92.7 | 126.7 | 171.7 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | I77 I107 | I77-V109 HydrophobicContact CD1-CG2 4.48Å; I107-V109 PolarHBondContact O-N 3.17Å |
| 110 | P | 29.7 | Very low | 28.2 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 49% | 0.487 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 132.2 | 174.8 | 27.1 | -31.3 | 0 | 0 | 0 | 110.6 | ||
| 111 | A | 27.5 | Very low | 28.4 | Very low | 32 Ų | 32 | 119.7 Ų | 119.7 | 26% | 0.264 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 142.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G113 | A111-G113 PolarHBondContact O-N 3.19Š|
| 112 | P | 26.6 | Very low | 28.7 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 116.9 | 178.4 | 26.8 | -31.5 | 0 | 0 | 0 | 110.4 | ||
| 113 | G | 32.4 | Very low | 28.7 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139 | 4.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | A111 | A111-G113 PolarHBondContact O-N 3.19Š|
| 114 | V | 30.6 | Very low | 28.8 | Very low | 100 Ų | 100 | 109.6 Ų | 109.6 | 61% | 0.606 | 59% | 0.59 | S | S | * | * | trans | -100.4 | 100.2 | 178 | -163.8 | 0 | 0 | 0 | 0 | 110.2 | D116 | V114-D116 VanDerWaalsContact C-N 3.35Å; V114-D116 HydrophobicContact CG1-CB 4.42Å; V114-D116 PolarHBondContact O-N 2.77Å | ||
| 115 | E | 30.9 | Very low | 28.8 | Very low | 192 Ų | 192 | 107.6 Ų | 107.6 | 90% | 0.897 | 59% | 0.586 | S | S | * | * | trans | -80.9 | 80.4 | 165.4 | -68.8 | -169.5 | 147.6 | 0 | 0 | 109 | ||||
| 116 | D | 27.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 109.1 Ų | 109.1 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -146.8 | 134.3 | 163.5 | -89.2 | -43.5 | 0 | 0 | 0 | 110.4 | V114 Y118 | V114-D116 VanDerWaalsContact C-N 3.35Å; V114-D116 HydrophobicContact CG1-CB 4.42Å; V114-D116 PolarHBondContact O-N 2.77Å; D116-Y118 VanDerWaalsContact C-N 3.3Å; D116-Y118 PolarHBondContact O-N 3.35Å |
| 117 | E | 30.6 | Very low | 28.8 | Very low | 203 Ų | 203 | 108 Ų | 108 | 95% | 0.949 | 61% | 0.605 | S | S | * | * | trans | -60.9 | 81.9 | 177.8 | -84.1 | -177.7 | 131.1 | 0 | 0 | 111.6 | ||||
| 118 | Y | 28.3 | Very low | 28.8 | Very low | 205 Ų | 205 | 106.5 Ų | 106.5 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | trans | -104.3 | 115.7 | 164.1 | -110.4 | -97.9 | 0 | 0 | 0 | 110 | D116 E120 | D116-Y118 VanDerWaalsContact C-N 3.3Å; D116-Y118 PolarHBondContact O-N 3.35Å; Y118-E120 PolarHBondContact O-N 2.74Å | ||
| 119 | I | 24.1 | Very low | 28.9 | Very low | 111 Ų | 111 | 110.5 Ų | 110.5 | 57% | 0.569 | 62% | 0.623 | S | S | * | * | trans | -82.2 | 93.3 | 171.2 | -59.9 | 158.5 | 0 | 0 | 0 | 106.7 | R134 | I119-R134 VanDerWaalsContact CD1-NH2 3.27Å; I119-R134 HydrophobicContact CG2-CG 4.44Å | ||
| 120 | E | 31.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | trans | -75.7 | 127.4 | 171.1 | -68.9 | -168 | 160.5 | 0 | 0 | 110.3 | Y118 T122 | Y118-E120 PolarHBondContact O-N 2.74Å; E120-T122 PolarHBondContact O-N 2.86Å | ||
| 121 | Q | 26.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 110.2 Ų | 110.2 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 96.7 | 167 | -66.7 | -176.4 | -50.3 | 0 | 0 | 107.1 | ||
| 122 | T | 32.2 | Very low | 28.9 | Very low | 42 Ų | 42 | 116.2 Ų | 116.2 | 26% | 0.258 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 122 | 178.3 | -44.8 | 0 | 0 | 0 | 0 | 109.3 | E120 V124 | E120-T122 PolarHBondContact O-N 2.86Å; T122-V124 HydrophobicContact CG2-CG2 4.03Å |
| 123 | L | 26.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 110.5 Ų | 110.5 | 63% | 0.628 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.9 | 166.6 | -93.1 | 138.6 | 0 | 0 | 0 | 107.8 | T130 | L123-T130 HydrophobicContact CD2-CG2 3.56Å |
| 124 | V | 30.1 | Very low | 29 | Very low | 64 Ų | 64 | 114.3 Ų | 114.3 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 120.2 | 173 | -173.3 | 0 | 0 | 0 | 0 | 107.1 | T122 V126 | T122-V124 HydrophobicContact CG2-CG2 4.03Å; V124-V126 HydrophobicContact CG1-CG2 3.97Å |
| 125 | T | 27.8 | Very low | 29.1 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 118.8 | 175.5 | -45.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 126 | V | 28.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.9 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | V124 G128 K129 | V124-V126 HydrophobicContact CG1-CG2 3.97Å; V126-G128 PolarHBondContact O-N 3.4Å; V126-K129 PolarHBondContact N-O 3.28Å; V126-K129 PolarHBondContact O-N 3.39Å; V126-K129 VanDerWaalsContact O-N 3.12Å |
| 127 | A | 28.2 | Very low | 29.2 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 74% | 0.744 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.3 | 55.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | K129 | A127-K129 PolarHBondContact O-N 3.01Š|
| 128 | G | 29.5 | Very low | 29.1 | Very low | 66 Ų | 66 | 110.7 Ų | 110.7 | 68% | 0.68 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 1.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | V126 | V126-G128 PolarHBondContact O-N 3.4Š|
| 129 | K | 29.7 | Very low | 29.1 | Very low | 167 Ų | 167 | 104.6 Ų | 104.6 | 73% | 0.726 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | 176.5 | -64.5 | 178.8 | -175.4 | 177.6 | 0 | 110 | V126 A127 | V126-K129 PolarHBondContact N-O 3.28Å; V126-K129 PolarHBondContact O-N 3.39Å; V126-K129 VanDerWaalsContact O-N 3.12Å; A127-K129 PolarHBondContact O-N 3.01Å |
| 130 | T | 28.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 102.9 Ų | 102.9 | 63% | 0.632 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.7 | 175.8 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | L123 | L123-T130 HydrophobicContact CD2-CG2 3.56Å |
| 131 | A | 30.1 | Very low | 29.1 | Very low | 23 Ų | 23 | 103.7 Ų | 103.7 | 19% | 0.19 | 61% | 0.612 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 137 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M180 | A131-M180 HydrophobicContact CB-CE 3.28Å |
| 132 | M | 27 | Very low | 29.4 | Very low | 157 Ų | 157 | 100.2 Ų | 100.2 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.2 | 170.3 | -74.4 | -157.9 | -77.2 | 0 | 0 | 109.3 | ||
| 133 | G | 32.9 | Very low | 29.2 | Very low | 13 Ų | 13 | 101.5 Ų | 101.5 | 13% | 0.134 | 64% | 0.641 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 150.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 134 | R | 29 | Very low | 29.5 | Very low | 158 Ų | 158 | 106.1 Ų | 106.1 | 60% | 0.596 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.1 | 167.3 | -170.8 | 177.6 | -172.9 | 171.4 | 2 | 108 | I119 | I119-R134 VanDerWaalsContact CD1-NH2 3.27Å; I119-R134 HydrophobicContact CG2-CG 4.44Å |
| 135 | V | 32.7 | Very low | 29.5 | Very low | 84 Ų | 84 | 112.8 Ų | 112.8 | 51% | 0.509 | 68% | 0.68 | S | S | . | * | trans | -83.6 | 134.1 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 136 | K | 31.3 | Very low | 29.5 | Very low | 190 Ų | 190 | 114.4 Ų | 114.4 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | trans | -124.9 | 118.5 | 174.7 | -150.6 | 176.7 | -173.5 | 177.5 | 0 | 108.2 | G138 | K136-G138 PolarHBondContact O-N 3.45Š| ||
| 137 | R | 29.3 | Very low | 29.6 | Very low | 203 Ų | 203 | 113.4 Ų | 113.4 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -63.8 | 117.9 | 175 | -116 | 179.6 | -178.5 | 161.4 | 1.8 | 109.1 | G139 | R137-G139 PolarHBondContact O-N 3.45Å; R137-G139 VanDerWaalsContact O-N 3.14Å | ||
| 138 | G | 27.5 | Very low | 29.3 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | -78.8 | 87.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K136 G140 | K136-G138 PolarHBondContact O-N 3.45Å; G138-G140 PolarHBondContact O-N 3.25Å | ||
| 139 | G | 27.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -75.1 | 103.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R137 T141 | R137-G139 PolarHBondContact O-N 3.45Å; R137-G139 VanDerWaalsContact O-N 3.14Å; G139-T141 PolarHBondContact O-N 2.97Å | ||
| 140 | G | 27.8 | Very low | 28.8 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -75.8 | 107 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G138 | G138-G140 PolarHBondContact O-N 3.25Š| ||
| 141 | T | 28.2 | Very low | 28.5 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -141.2 | 133.5 | 146.1 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | G139 | G139-T141 PolarHBondContact O-N 2.97Š| ||
| 142 | G | 33.1 | Very low | 28.5 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | trans | -63.6 | 135.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 143 | G | 27.2 | Very low | 28.6 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -169 | 100.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | K145 | G143-K145 PolarHBondContact O-N 3.24Š| ||
| 144 | K | 34 | Very low | 28.8 | Very low | 217 Ų | 217 | 130 Ų | 130 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | -57.4 | 107.5 | 169.6 | -70.5 | 178.6 | 178 | 177.8 | 0 | 109.1 | ||||
| 145 | K | 30 | Very low | 29.1 | Very low | 204 Ų | 204 | 126.1 Ų | 126.1 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -134.6 | 115.8 | 156.1 | -76.3 | -168.6 | 179.9 | 174.3 | 0 | 109.9 | G143 | G143-K145 PolarHBondContact O-N 3.24Š| ||
| 146 | A | 28.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | trans | -65.2 | 142.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 147 | G | 29.5 | Very low | 29.5 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 80.1 | 90.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 148 | K | 23.3 | Very low | 29.8 | Very low | 206 Ų | 206 | 117.9 Ų | 117.9 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | -169.7 | 102.1 | 130.8 | -100.3 | 164.1 | -169.7 | -173.7 | 0 | 108.3 | S150 | K148-S150 PolarHBondContact O-N 3.09Å; K148-S150 VanDerWaalsContact O-N 3.08Å | ||
| 149 | K | 23.9 | Very low | 30.2 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | trans | -67.6 | 100 | 166.8 | -70.8 | -179.7 | 177.8 | -178.6 | 0 | 107.2 | Y151 | K149-Y151 HydrophobicContact CB-CD2 4.37Å; K149-Y151 HydrophobicContact CB-CE2 3.94Å; K149-Y151 PolarHBondContact O-N 3.49Å | ||
| 150 | S | 24.1 | Very low | 30.9 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -80.2 | 101.1 | 167.3 | 55.7 | 0 | 0 | 0 | 0 | 107.9 | K148 L152 | K148-S150 PolarHBondContact O-N 3.09Å; K148-S150 VanDerWaalsContact O-N 3.08Å; S150-L152 PolarHBondContact O-N 3.29Å | ||
| 151 | Y | 22.9 | Very low | 31.4 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.4 | 169.3 | -70.5 | -94.3 | 0 | 0 | 0 | 108.1 | K149 | K149-Y151 HydrophobicContact CB-CD2 4.37Å; K149-Y151 HydrophobicContact CB-CE2 3.94Å; K149-Y151 PolarHBondContact O-N 3.49Å |
| 152 | L | 28.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 117.1 | 167.5 | -75.1 | 164.8 | 0 | 0 | 0 | 107.3 | S150 | S150-L152 PolarHBondContact O-N 3.29Š|
| 153 | S | 30.5 | Very low | 32.3 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.7 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 154 | G | 35.7 | Very low | 32.8 | Very low | 37 Ų | 37 | 128.7 Ų | 128.7 | 38% | 0.381 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 168.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D156 | G154-D156 PolarHBondContact O-N 2.98Š|
| 155 | P | 36.2 | Very low | 33.1 | Very low | 76 Ų | 76 | 123.4 Ų | 123.4 | 49% | 0.494 | 69% | 0.687 | S | S | . | * | trans | -67 | 114.7 | 176.1 | 26.1 | -31.2 | 0 | 0 | 0 | 110.7 | A157 | P155-A157 PolarHBondContact O-N 3.24Š| ||
| 156 | D | 36.2 | Very low | 33.5 | Very low | 178 Ų | 178 | 119.6 Ų | 119.6 | 95% | 0.952 | 67% | 0.672 | S | S | * | * | trans | -63.4 | 98.1 | 173.6 | -98.4 | -40.8 | 0 | 0 | 0 | 110.4 | G154 | G154-D156 PolarHBondContact O-N 2.98Š| ||
| 157 | A | 36.5 | Very low | 34 | Very low | 53 Ų | 53 | 117.9 Ų | 117.9 | 44% | 0.438 | 65% | 0.65 | S | S | . | * | trans | -145.2 | 119.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P155 G159 | P155-A157 PolarHBondContact O-N 3.24Å; A157-G159 PolarHBondContact O-N 3.4Å | ||
| 158 | G | 34.9 | Very low | 34.3 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -21 | 116.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | R160 | G158-R160 PolarHBondContact O-N 2.89Š|
| 159 | G | 36.8 | Very low | 35 | Very low | 91 Ų | 91 | 114.1 Ų | 114.1 | 94% | 0.938 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | -1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | A157 | A157-G159 PolarHBondContact O-N 3.4Š|
| 160 | R | 42.1 | Very low | 35.5 | Very low | 174 Ų | 174 | 113.2 Ų | 113.2 | 66% | 0.657 | 61% | 0.614 | S | S | * | * | trans | -87.9 | 127.1 | 179.2 | -61.1 | -179.8 | -146.3 | -174.9 | 3.4 | 110.4 | G158 W162 | G158-R160 PolarHBondContact O-N 2.89Å; R160-W162 VanDerWaalsContact O-CD1 3.28Å | ||
| 161 | K | 37.7 | Very low | 36.2 | Very low | 184 Ų | 184 | 111.5 Ų | 111.5 | 80% | 0.8 | 60% | 0.599 | S | S | * | * | trans | -74.4 | 129.6 | 167.7 | -84.6 | -178.1 | 176.2 | 178.5 | 0 | 108.5 | ||||
| 162 | W | 42.7 | Very low | 36.4 | Very low | 89 Ų | 89 | 111.6 Ų | 111.6 | 34% | 0.337 | 61% | 0.612 | S | S | . | * | trans | -114.4 | 132.6 | 175 | -65.6 | 91.7 | 0 | 0 | 0 | 108.5 | R160 W181 | R160-W162 VanDerWaalsContact O-CD1 3.28Å; W162-W181 HydrophobicContact CB-CE3 3.79Å; W162-W181 HydrophobicContact CB-CZ3 4.31Å; W162-W181 HydrophobicContact CE3-CB 4.02Å | ||
| 163 | E | 37.6 | Very low | 36.5 | Very low | 97 Ų | 97 | 113.8 Ų | 113.8 | 45% | 0.453 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.1 | 173.2 | -64.4 | -162.1 | 154.6 | 0 | 0 | 110.4 | W181 A182 | E163-W181 WeakPolarHBondContact O-CA 3.08Å; E163-A182 PolarHBondContact N-O 3.27Å; E163-A182 PolarHBondContact O-N 3.49Å |
| 164 | Q | 38.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 112.8 | 177.5 | -170.4 | 177.5 | 5.8 | 0 | 0 | 108.8 | T179 M180 W181 | Q164-T179 HydrophobicContact CG-CG2 3.41Å; Q164-T179 VanDerWaalsContact CG-CG2 3.41Å; Q164-M180 WeakPolarHBondContact CA-O 3.44Å; Q164-W181 HydrophobicContact CB-CE3 4.21Å; Q164-W181 HydrophobicContact CB-CH2 4.5Å; Q164-W181 HydrophobicContact CB-CZ3 4.15Å |
| 165 | K | 39.7 | Very low | 36.5 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.4 | 178.2 | -73.2 | -178.6 | 178 | 171.9 | 0 | 110.1 | M180 A182 | K165-M180 PolarHBondContact N-O 3.1Å; K165-M180 PolarHBondContact O-N 2.9Å; K165-A182 HydrophobicContact CD-CB 4.37Å |
| 166 | Q | 37.5 | Very low | 36.5 | Very low | 124 Ų | 124 | 113.7 Ų | 113.7 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.6 | 177.7 | -172.2 | 174 | -2.4 | 0 | 0 | 108.7 | S177 V178 T179 | Q166-S177 PolarHBondContact NE2-OG 3.45Å; Q166-V178 CarbonylContact C-O 3.58Å; Q166-V178 WeakPolarHBondContact CA-O 3.42Å; Q166-T179 HydrophobicContact CB-CG2 4.46Å |
| 167 | V | 38.8 | Very low | 36.4 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 42% | 0.424 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.1 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | I169 S177 V178 | V167-I169 HydrophobicContact CG1-CG1 4.42Å; V167-S177 CarbonylContact O-C 3.59Å; V167-S177 WeakPolarHBondContact O-CA 3.42Å; V167-V178 PolarHBondContact N-O 3.16Å; V167-V178 PolarHBondContact O-N 2.58Å |
| 168 | Q | 36 | Very low | 36.5 | Very low | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.8 | 174.8 | -67 | -86.2 | 11.8 | 0 | 0 | 108.5 | ||
| 169 | I | 38.3 | Very low | 36.6 | Very low | 85 Ų | 85 | 105.6 Ų | 105.6 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.4 | 178.2 | -55.6 | 175.2 | 0 | 0 | 0 | 107 | V167 T171 E175 F176 V178 | V167-I169 HydrophobicContact CG1-CG1 4.42Å; I169-T171 HydrophobicContact CG2-CG2 4.27Å; I169-E175 WeakPolarHBondContact O-CA 3.4Å; I169-F176 PolarHBondContact N-O 3.27Å; I169-F176 PolarHBondContact O-N 3.09Å; I169-V178 HydrophobicContact CD1-CG2 4.11Å |
| 170 | K | 35.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 103.7 Ų | 103.7 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.7 | 174.5 | -73.2 | -177.6 | 178.1 | 179.7 | 0 | 109.6 | E175 | K170-E175 WeakPolarHBondContact CE-OE1 3.42Å; K170-E175 WeakPolarHBondContact CE-OE2 3.35Å; K170-E175 HydrophobicContact CG-CB 3.94Å; K170-E175 HydrophobicContact CG-CG 3.57Å; K170-E175 IonicContact NZ-OE1 3.04Å; K170-E175 IonicContact NZ-OE2 3.9Å |
| 171 | T | 37.4 | Very low | 36.9 | Very low | 70 Ų | 70 | 100.1 Ų | 100.1 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 166.5 | 172.4 | 68.6 | 0 | 0 | 0 | 0 | 109.6 | I169 E173 G174 | I169-T171 HydrophobicContact CG2-CG2 4.27Å; T171-E173 PolarHBondContact O-N 2.76Å; T171-E173 VanDerWaalsContact O-N 3.13Å; T171-E173 PolarHBondContact OG1-N 2.88Å; T171-G174 PolarHBondContact N-O 3.04Å; T171-G174 PolarHBondContact O-N 3.16Å; T171-G174 VanDerWaalsContact O-N 3.1Å; T171-G174 PolarHBondContact OG1-N 3.38Å; T171-G174 PolarHBondContact OG1-O 3.34Å |
| 172 | L | 28.3 | Very low | 36.8 | Very low | 192 Ų | 192 | 93 Ų | 93 | 100% | 1.005 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.3 | 176.3 | -67.1 | 171 | 0 | 0 | 0 | 112.9 | ||
| 173 | E | 30.7 | Very low | 36.5 | Very low | 175 Ų | 175 | 91 Ų | 91 | 82% | 0.818 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0.4 | 179.1 | -59.3 | -166.5 | 145.5 | 0 | 0 | 114 | T171 | T171-E173 PolarHBondContact O-N 2.76Å; T171-E173 VanDerWaalsContact O-N 3.13Å; T171-E173 PolarHBondContact OG1-N 2.88Å |
| 174 | G | 33.3 | Very low | 36.3 | Very low | 30 Ų | 30 | 91.2 Ų | 91.2 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.4 | 169.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | T171 F176 | T171-G174 PolarHBondContact N-O 3.04Å; T171-G174 PolarHBondContact O-N 3.16Å; T171-G174 VanDerWaalsContact O-N 3.1Å; T171-G174 PolarHBondContact OG1-N 3.38Å; T171-G174 PolarHBondContact OG1-O 3.34Å; G174-F176 WeakPolarHBondContact O-CE2 3.26Å |
| 175 | E | 32.2 | Very low | 36.2 | Very low | 101 Ų | 101 | 91.8 Ų | 91.8 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.1 | 178.4 | -172.8 | 169.3 | -160.6 | 0 | 0 | 110.7 | I169 K170 | I169-E175 WeakPolarHBondContact O-CA 3.4Å; K170-E175 WeakPolarHBondContact CE-OE1 3.42Å; K170-E175 WeakPolarHBondContact CE-OE2 3.35Å; K170-E175 HydrophobicContact CG-CB 3.94Å; K170-E175 HydrophobicContact CG-CG 3.57Å; K170-E175 IonicContact NZ-OE1 3.04Å; K170-E175 IonicContact NZ-OE2 3.9Å |
| 176 | F | 36.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 93.6 Ų | 93.6 | 45% | 0.447 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.3 | 179.2 | -52.7 | -83.4 | 0 | 0 | 0 | 110.2 | I169 G174 | I169-F176 PolarHBondContact N-O 3.27Å; I169-F176 PolarHBondContact O-N 3.09Å; G174-F176 WeakPolarHBondContact O-CE2 3.26Å |
| 177 | S | 32.2 | Very low | 35.6 | Very low | 55 Ų | 55 | 96.8 Ų | 96.8 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.8 | 174 | 75.1 | 0 | 0 | 0 | 0 | 111 | Q166 V167 | Q166-S177 PolarHBondContact NE2-OG 3.45Å; V167-S177 CarbonylContact O-C 3.59Å; V167-S177 WeakPolarHBondContact O-CA 3.42Å |
| 178 | V | 39.8 | Very low | 35.1 | Very low | 25 Ų | 25 | 101.4 Ų | 101.4 | 15% | 0.152 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.4 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | Q166 V167 I169 M180 | Q166-V178 CarbonylContact C-O 3.58Å; Q166-V178 WeakPolarHBondContact CA-O 3.42Å; V167-V178 PolarHBondContact N-O 3.16Å; V167-V178 PolarHBondContact O-N 2.58Å; I169-V178 HydrophobicContact CD1-CG2 4.11Å; V178-M180 HydrophobicContact CG1-CG 3.97Å; V178-M180 HydrophobicContact CG1-SD 4.49Å |
| 179 | T | 37.4 | Very low | 34.9 | Very low | 54 Ų | 54 | 101 Ų | 101 | 33% | 0.331 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.2 | 175.9 | -42.1 | 0 | 0 | 0 | 0 | 110.4 | Q164 Q166 | Q164-T179 HydrophobicContact CG-CG2 3.41Å; Q164-T179 VanDerWaalsContact CG-CG2 3.41Å; Q166-T179 HydrophobicContact CB-CG2 4.46Å |
| 180 | M | 41.6 | Very low | 34.3 | Very low | 51 Ų | 51 | 103.7 Ų | 103.7 | 25% | 0.251 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153 | -172.7 | -56.3 | 176.7 | 72.4 | 0 | 0 | 110.2 | A131 Q164 K165 V178 | A131-M180 HydrophobicContact CB-CE 3.28Å; Q164-M180 WeakPolarHBondContact CA-O 3.44Å; K165-M180 PolarHBondContact N-O 3.1Å; K165-M180 PolarHBondContact O-N 2.9Å; V178-M180 HydrophobicContact CG1-CG 3.97Å; V178-M180 HydrophobicContact CG1-SD 4.49Å |
| 181 | W | 42.5 | Very low | 33.9 | Very low | 98 Ų | 98 | 102 Ų | 102 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99 | 121.5 | 171.2 | -63.8 | 91.4 | 0 | 0 | 0 | 108.6 | W162 E163 Q164 | W162-W181 HydrophobicContact CB-CE3 3.79Å; W162-W181 HydrophobicContact CB-CZ3 4.31Å; W162-W181 HydrophobicContact CE3-CB 4.02Å; E163-W181 WeakPolarHBondContact O-CA 3.08Å; Q164-W181 HydrophobicContact CB-CE3 4.21Å; Q164-W181 HydrophobicContact CB-CH2 4.5Å; Q164-W181 HydrophobicContact CB-CZ3 4.15Å |
| 182 | A | 37 | Very low | 33.5 | Very low | 35 Ų | 35 | 108 Ų | 108 | 29% | 0.289 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E163 K165 | E163-A182 PolarHBondContact N-O 3.27Å; E163-A182 PolarHBondContact O-N 3.49Å; K165-A182 HydrophobicContact CD-CB 4.37Å |
| 183 | S | 36.3 | Very low | 33.5 | Very low | 47 Ų | 47 | 107.4 Ų | 107.4 | 33% | 0.329 | 57% | 0.567 | S | S | . | * | trans | -104.1 | 135.5 | 166.7 | 59.6 | 0 | 0 | 0 | 0 | 108.7 | I185 | S183-I185 PolarHBondContact O-N 3.2Å; S183-I185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | D | 32.5 | Very low | 33.5 | Very low | 102 Ų | 102 | 107.8 Ų | 107.8 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | trans | -66.3 | 113.1 | 171.9 | -61 | -36.8 | 0 | 0 | 0 | 108.7 | ||||
| 185 | I | 35.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 113.9 Ų | 113.9 | 67% | 0.672 | 59% | 0.593 | S | S | * | * | trans | -119.6 | 101.8 | 164.7 | -60.2 | 175.8 | 0 | 0 | 0 | 104.7 | S183 | S183-I185 PolarHBondContact O-N 3.2Å; S183-I185 VanDerWaalsContact O-N 3.15Å | ||
| 186 | D | 28.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | trans | -71 | 124.5 | 162.2 | -67.2 | -44.7 | 0 | 0 | 0 | 107.5 | E188 | D186-E188 PolarHBondContact O-N 3.31Š| ||
| 187 | H | 36.1 | Very low | 33 | Very low | 190 Ų | 190 | 113 Ų | 113 | 88% | 0.88 | 61% | 0.614 | S | S | * | * | trans | -82.1 | 71.8 | -180 | -146 | -84.4 | 0 | 0 | 0 | 108.9 | ||||
| 188 | E | 29.4 | Very low | 33.3 | Very low | 168 Ų | 168 | 119.1 Ų | 119.1 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -108.4 | 112 | 167.9 | -92.2 | -170.9 | 137.2 | 0 | 0 | 110.4 | D186 | D186-E188 PolarHBondContact O-N 3.31Š| ||
| 189 | S | 31.1 | Very low | 33.1 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | 34.5 | 97.7 | 154.9 | 62.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 190 | V | 26 | Very low | 32.9 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | trans | -101.9 | 106.9 | 152.4 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 191 | V | 27.2 | Very low | 32.6 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | -61.6 | 127.7 | 167.9 | -133.5 | 0 | 0 | 0 | 0 | 108.2 | E193 | V191-E193 PolarHBondContact O-N 3.25Å; V191-E193 VanDerWaalsContact O-N 3.12Å | ||
| 192 | E | 29.6 | Very low | 32.4 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | -66.4 | 103.9 | 168.7 | -72.2 | -175.9 | 144.6 | 0 | 0 | 109.4 | ||||
| 193 | E | 27.7 | Very low | 32.5 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | -92.6 | 114.5 | 159 | -87.4 | -169.2 | 134.8 | 0 | 0 | 109.4 | V191 I195 | V191-E193 PolarHBondContact O-N 3.25Å; V191-E193 VanDerWaalsContact O-N 3.12Å; E193-I195 PolarHBondContact O-N 2.98Å; E193-I195 VanDerWaalsContact O-N 3.14Å | ||
| 194 | Q | 29.8 | Very low | 32.8 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -56.7 | 110.7 | 164.7 | -78.9 | 177.9 | -83.1 | 0 | 0 | 110 | ||||
| 195 | I | 28 | Very low | 33.5 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -93.2 | 96.4 | 160.2 | -59.3 | 176.8 | 0 | 0 | 0 | 107.6 | E193 G197 | E193-I195 PolarHBondContact O-N 2.98Å; E193-I195 VanDerWaalsContact O-N 3.14Å; I195-G197 PolarHBondContact O-N 3.42Å | ||
| 196 | V | 34.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -69.8 | 109.7 | 157 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 197 | G | 29.6 | Very low | 34.8 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | trans | -139.2 | 84.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I195 N199 | I195-G197 PolarHBondContact O-N 3.42Å; G197-N199 VanDerWaalsContact C-N 3.3Å; G197-N199 PolarHBondContact O-N 3.22Å | ||
| 198 | E | 38.3 | Very low | 35 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -57.6 | 95.4 | 154 | -72.3 | 176.3 | 109.7 | 0 | 0 | 108.1 | ||||
| 199 | N | 36 | Very low | 36 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | -172 | 67.6 | 161.6 | -89 | -39 | 0 | 0 | 0 | 109.4 | G197 | G197-N199 VanDerWaalsContact C-N 3.3Å; G197-N199 PolarHBondContact O-N 3.22Å | ||
| 200 | S | 33.3 | Very low | 36.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 128.8 | 153.7 | -81.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 201 | P | 34.8 | Very low | 37.6 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139 | 171.7 | -16.2 | 28.1 | 0 | 0 | 0 | 109.3 | ||
| 202 | P | 38.8 | Very low | 38.2 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 49% | 0.494 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 142.5 | 178.7 | 20 | -26.5 | 0 | 0 | 0 | 110.7 | Y204 | P202-Y204 HydrophobicContact CB-CE2 4.47Å; P202-Y204 HydrophobicContact CG-CE2 3.69Å; P202-Y204 WeakPolarHBondContact O-CD2 3.27Å; P202-Y204 WeakPolarHBondContact O-CE2 3.25Å; P202-Y204 PolarHBondContact O-N 3.15Å |
| 203 | D | 39.6 | Very low | 38.9 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -64.5 | 106.6 | 176.4 | 178.3 | 5.4 | 0 | 0 | 0 | 109.7 | S205 | D203-S205 VanDerWaalsContact C-N 3.25Å; D203-S205 VanDerWaalsContact CG-OG 3.26Å; D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 WeakPolarHBondContact OD1-CB 3.4Å; D203-S205 PolarHBondContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 3.41Å; D203-S205 PolarHBondContact OD2-OG 3.31Å | ||
| 204 | Y | 42.1 | Very low | 39.3 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 59% | 0.592 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -83.9 | 7.5 | -177.5 | -78 | -84.2 | 0 | 0 | 0 | 114.1 | P202 E206 Y207 | P202-Y204 HydrophobicContact CB-CE2 4.47Å; P202-Y204 HydrophobicContact CG-CE2 3.69Å; P202-Y204 WeakPolarHBondContact O-CD2 3.27Å; P202-Y204 WeakPolarHBondContact O-CE2 3.25Å; P202-Y204 PolarHBondContact O-N 3.15Å; Y204-E206 VanDerWaalsContact C-N 3.26Å; Y204-E206 PolarHBondContact O-N 2.79Å; Y204-Y207 AromaticContact CD1-CD2 3.4Å; Y204-Y207 HydrophobicContact CD1-CD2 3.4Å; Y204-Y207 VanDerWaalsContact CD1-CD2 3.4Å; Y204-Y207 AromaticContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CG 4.29Å; Y204-Y207 HydrophobicContact CE1-CD2 4.19Å; Y204-Y207 HydrophobicContact CE1-CE2 4.16Å; Y204-Y207 HydrophobicContact CG-CD2 4.09Å; Y204-Y207 HydrophobicContact CG-CE2 4.33Å; Y204-Y207 PolarHBondContact O-N 3.48Å |
| 205 | S | 48.1 | Very low | 39.7 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 50% | 0.503 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -64.6 | -26.8 | -177.2 | 65 | 0 | 0 | 0 | 0 | 113.7 | D203 | D203-S205 VanDerWaalsContact C-N 3.25Å; D203-S205 VanDerWaalsContact CG-OG 3.26Å; D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 WeakPolarHBondContact OD1-CB 3.4Å; D203-S205 PolarHBondContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 3.41Å; D203-S205 PolarHBondContact OD2-OG 3.31Å |
| 206 | E | 41.7 | Very low | 40.6 | Very low | 149 Ų | 149 | 120.6 Ų | 120.6 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -75.6 | -25.3 | 179 | -66.7 | -166.1 | 154.5 | 0 | 0 | 114 | Y204 M208 T209 | Y204-E206 VanDerWaalsContact C-N 3.26Å; Y204-E206 PolarHBondContact O-N 2.79Å; E206-M208 PolarHBondContact O-N 3.01Å; E206-T209 PolarHBondContact O-OG1 3.41Å |
| 207 | Y | 50 | Low | 41.4 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 38% | 0.376 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -83.6 | -9.9 | -175.2 | -50.1 | -78.7 | 0 | 0 | 0 | 114 | Y204 T209 P214 | Y204-Y207 AromaticContact CD1-CD2 3.4Å; Y204-Y207 HydrophobicContact CD1-CD2 3.4Å; Y204-Y207 VanDerWaalsContact CD1-CD2 3.4Å; Y204-Y207 AromaticContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CG 4.29Å; Y204-Y207 HydrophobicContact CE1-CD2 4.19Å; Y204-Y207 HydrophobicContact CE1-CE2 4.16Å; Y204-Y207 HydrophobicContact CG-CD2 4.09Å; Y204-Y207 HydrophobicContact CG-CE2 4.33Å; Y204-Y207 PolarHBondContact O-N 3.48Å; Y207-T209 PolarHBondContact O-N 3.2Å; Y207-P214 HydrophobicContact CE1-CB 4.11Å |
| 208 | M | 39.4 | Very low | 42.3 | Very low | 174 Ų | 174 | 116.3 Ų | 116.3 | 86% | 0.857 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -75.9 | -4.3 | 177.4 | -67 | -71.4 | -105.2 | 0 | 0 | 113.3 | E206 | E206-M208 PolarHBondContact O-N 3.01Š|
| 209 | T | 50.2 | Low | 42.4 | Very low | 103 Ų | 103 | 113.7 Ų | 113.7 | 63% | 0.632 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -98.7 | -2.8 | -178.9 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | E206 Y207 K211 | E206-T209 PolarHBondContact O-OG1 3.41Å; Y207-T209 PolarHBondContact O-N 3.2Å; T209-K211 VanDerWaalsContact C-N 3.33Å; T209-K211 PolarHBondContact O-N 2.92Å |
| 210 | G | 45.4 | Very low | 43.2 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 69.3 | 15.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 211 | K | 44.7 | Very low | 44.1 | Very low | 189 Ų | 189 | 106.8 Ų | 106.8 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -112.3 | -5.5 | -173.7 | -72 | -175.9 | -178.7 | -179.5 | 0 | 116.9 | T209 | T209-K211 VanDerWaalsContact C-N 3.33Å; T209-K211 PolarHBondContact O-N 2.92Å |
| 212 | K | 39.6 | Very low | 45 | Very low | 187 Ų | 187 | 105.9 Ų | 105.9 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | trans | -145.6 | 130.5 | 171.5 | -72.8 | -170.8 | 178.3 | 179.8 | 0 | 111.7 | ||||
| 213 | L | 44.7 | Very low | 45.7 | Very low | 126 Ų | 126 | 106.8 Ų | 106.8 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | trans | -76.7 | 144 | 167.5 | -83.9 | 136.4 | 0 | 0 | 0 | 109.7 | ||||
| 214 | P | 37 | Very low | 46.4 | Very low | 44 Ų | 44 | 106 Ų | 106 | 29% | 0.286 | 62% | 0.617 | S | S | . | * | trans | -63.2 | 143.6 | 178.2 | 24.9 | -32.3 | 0 | 0 | 0 | 111.3 | Y207 G216 G217 | Y207-P214 HydrophobicContact CE1-CB 4.11Å; P214-G216 PolarHBondContact O-N 3.34Å; P214-G217 PolarHBondContact O-N 3.5Å; P214-G217 VanDerWaalsContact O-N 3.15Å | ||
| 215 | P | 38.3 | Very low | 47.2 | Very low | 136 Ų | 136 | 101.8 Ų | 101.8 | 88% | 0.883 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 102.2 | 173.3 | 28.7 | -30.5 | 0 | 0 | 0 | 108.1 | ||
| 216 | G | 46.2 | Very low | 47.8 | Very low | 84 Ų | 84 | 103.1 Ų | 103.1 | 87% | 0.866 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.2 | -7.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P214 | P214-G216 PolarHBondContact O-N 3.34Š|
| 217 | G | 50.9 | Low | 48.7 | Very low | 25 Ų | 25 | 103.8 Ų | 103.8 | 26% | 0.258 | 61% | 0.612 | S | S | . | * | trans | 72.5 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P214 | P214-G217 PolarHBondContact O-N 3.5Å; P214-G217 VanDerWaalsContact O-N 3.15Å | ||
| 218 | I | 49.4 | Very low | 49 | Very low | 69 Ų | 69 | 102.7 Ų | 102.7 | 35% | 0.354 | 61% | 0.611 | S | S | . | * | trans | -82.1 | 127.7 | 178.6 | -57.5 | 171.8 | 0 | 0 | 0 | 107.5 | G220 I221 F232 | I218-G220 PolarHBondContact O-N 2.89Å; I218-G220 VanDerWaalsContact O-N 3.08Å; I218-I221 HydrophobicContact CB-CD1 4.46Å; I218-I221 HydrophobicContact CG2-CD1 4.23Å; I218-I221 PolarHBondContact O-N 2.87Å; I218-F232 HydrophobicContact CD1-CE2 4.33Å; I218-F232 HydrophobicContact CD1-CZ 4.34Å | ||
| 219 | P | 40.8 | Very low | 49.8 | Very low | 128 Ų | 128 | 98.6 Ų | 98.6 | 83% | 0.831 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 118 | 179.6 | -22.9 | 31.8 | 0 | 0 | 0 | 111.1 | ||
| 220 | G | 52.3 | Low | 50.4 | Low | 78 Ų | 78 | 95.7 Ų | 95.7 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.3 | 5.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117 | I218 | I218-G220 PolarHBondContact O-N 2.89Å; I218-G220 VanDerWaalsContact O-N 3.08Å |
| 221 | I | 52.9 | Low | 51.2 | Low | 53 Ų | 53 | 98.2 Ų | 98.2 | 27% | 0.272 | 57% | 0.57 | S | S | . | * | trans | -121.7 | 116.2 | 174.4 | -59.4 | 174 | 0 | 0 | 0 | 109.7 | I218 L223 F232 | I218-I221 HydrophobicContact CB-CD1 4.46Å; I218-I221 HydrophobicContact CG2-CD1 4.23Å; I218-I221 PolarHBondContact O-N 2.87Å; I221-L223 PolarHBondContact O-N 3.11Å; I221-F232 HydrophobicContact CD1-CD2 4.14Å; I221-F232 HydrophobicContact CD1-CE2 4.36Å | ||
| 222 | D | 53.5 | Low | 51.8 | Low | 92 Ų | 92 | 94.2 Ų | 94.2 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | trans | -84.7 | 105 | 174.2 | -175.6 | 1.6 | 0 | 0 | 0 | 109.9 | S224 D225 | D222-S224 PolarHBondContact O-N 3.28Å; D222-S224 VanDerWaalsContact O-N 3.15Å; D222-S224 WeakPolarHBondContact OD1-CB 3.49Å; D222-S224 PolarHBondContact OD1-N 3.17Å; D222-S224 PolarHBondContact OD1-OG 2.71Å; D222-D225 PolarHBondContact O-N 3.27Å | ||
| 223 | L | 53.1 | Low | 52.7 | Low | 95 Ų | 95 | 89.3 Ų | 89.3 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -4.5 | 179.5 | -70.5 | 160.6 | 0 | 0 | 0 | 113.4 | I221 L229 | I221-L223 PolarHBondContact O-N 3.11Å; L223-L229 HydrophobicContact CD2-CD1 3.83Å |
| 224 | S | 54.3 | Low | 53.5 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -16.8 | 175.6 | -34.2 | 0 | 0 | 0 | 0 | 112.5 | D222 P226 | D222-S224 PolarHBondContact O-N 3.28Å; D222-S224 VanDerWaalsContact O-N 3.15Å; D222-S224 WeakPolarHBondContact OD1-CB 3.49Å; D222-S224 PolarHBondContact OD1-N 3.17Å; D222-S224 PolarHBondContact OD1-OG 2.71Å; S224-P226 WeakPolarHBondContact O-CD 3.43Å |
| 225 | D | 58.4 | Low | 54.4 | Low | 63 Ų | 63 | 97.3 Ų | 97.3 | 34% | 0.337 | 57% | 0.57 | S | S | . | * | trans | -90.9 | 111.8 | 178.1 | -171.3 | -15.4 | 0 | 0 | 0 | 111 | D222 K227 Q228 L229 | D222-D225 PolarHBondContact O-N 3.27Å; D225-K227 PolarHBondContact O-N 3.33Å; D225-K227 VanDerWaalsContact O-N 3.09Å; D225-K227 WeakPolarHBondContact OD1-CB 3.34Å; D225-K227 PolarHBondContact OD1-N 3.18Å; D225-Q228 HydrophobicContact CB-CB 4.39Å; D225-Q228 HydrophobicContact CB-CG 4.33Å; D225-Q228 PolarHBondContact O-N 3.19Å; D225-Q228 VanDerWaalsContact O-N 3.13Å; D225-L229 PolarHBondContact O-N 3.39Å; D225-L229 VanDerWaalsContact O-N 3.11Å | ||
| 226 | P | 61.6 | Low | 55 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -18.7 | 179.9 | 23.6 | -32 | 0 | 0 | 0 | 113.5 | S224 A230 | S224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-A230 VanDerWaalsContact O-CB 3.22Å; P226-A230 WeakPolarHBondContact O-CB 3.42Å; P226-A230 PolarHBondContact O-N 3.04Å; P226-A230 VanDerWaalsContact O-N 3.11Å |
| 227 | K | 59.8 | Low | 55.2 | Low | 163 Ų | 163 | 101.5 Ų | 101.5 | 71% | 0.709 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.7 | -43.6 | 173.8 | -70.1 | -178.8 | 179.2 | 175.6 | 0 | 112.2 | D225 A230 E231 | D225-K227 PolarHBondContact O-N 3.33Å; D225-K227 VanDerWaalsContact O-N 3.09Å; D225-K227 WeakPolarHBondContact OD1-CB 3.34Å; D225-K227 PolarHBondContact OD1-N 3.18Å; K227-A230 PolarHBondContact O-N 3.29Å; K227-E231 WeakPolarHBondContact O-CB 3.41Å; K227-E231 PolarHBondContact O-N 3.16Å |
| 228 | Q | 57.6 | Low | 55 | Low | 73 Ų | 73 | 110.7 Ų | 110.7 | 34% | 0.341 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70 | -36 | 177.8 | -68.5 | -143.8 | -8.5 | 0 | 0 | 111.8 | D225 E231 F232 | D225-Q228 HydrophobicContact CB-CB 4.39Å; D225-Q228 HydrophobicContact CB-CG 4.33Å; D225-Q228 PolarHBondContact O-N 3.19Å; D225-Q228 VanDerWaalsContact O-N 3.13Å; Q228-E231 PolarHBondContact O-N 3.16Å; Q228-F232 WeakPolarHBondContact O-CB 3.39Å; Q228-F232 PolarHBondContact O-N 3.14Å |
| 229 | L | 56.2 | Low | 54.8 | Low | 88 Ų | 88 | 116.7 Ų | 116.7 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.8 | -40 | 172.9 | -165.2 | 72 | 0 | 0 | 0 | 111.8 | L223 D225 E231 A233 | L223-L229 HydrophobicContact CD2-CD1 3.83Å; D225-L229 PolarHBondContact O-N 3.39Å; D225-L229 VanDerWaalsContact O-N 3.11Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-A233 VanDerWaalsContact O-CB 3.27Å; L229-A233 WeakPolarHBondContact O-CB 3.48Å; L229-A233 PolarHBondContact O-N 2.82Å |
| 230 | A | 62.6 | Low | 55.1 | Low | 42 Ų | 42 | 115.8 Ų | 115.8 | 35% | 0.347 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.7 | -31.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P226 K227 R234 | P226-A230 VanDerWaalsContact O-CB 3.22Å; P226-A230 WeakPolarHBondContact O-CB 3.42Å; P226-A230 PolarHBondContact O-N 3.04Å; P226-A230 VanDerWaalsContact O-N 3.11Å; K227-A230 PolarHBondContact O-N 3.29Å; A230-R234 WeakPolarHBondContact O-CB 3.44Å; A230-R234 VanDerWaalsContact O-CD 3.28Å; A230-R234 WeakPolarHBondContact O-CD 3.37Å; A230-R234 WeakPolarHBondContact O-CG 3.45Å; A230-R234 PolarHBondContact O-N 3.38Å; A230-R234 VanDerWaalsContact O-N 3.11Å |
| 231 | E | 61.5 | Low | 55.1 | Low | 126 Ų | 126 | 119 Ų | 119 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.4 | -42.7 | 175.5 | -166.6 | 172 | -173.4 | 0 | 0 | 111.6 | K227 Q228 L229 R234 M235 | K227-E231 WeakPolarHBondContact O-CB 3.41Å; K227-E231 PolarHBondContact O-N 3.16Å; Q228-E231 PolarHBondContact O-N 3.16Å; L229-E231 VanDerWaalsContact C-N 3.34Å; E231-R234 CarbonylContact O-C 3.56Å; E231-R234 PolarHBondContact O-N 3.13Å; E231-R234 VanDerWaalsContact O-N 3.11Å; E231-M235 PolarHBondContact O-N 2.86Å; E231-M235 VanDerWaalsContact O-N 3.09Å |
| 232 | F | 57.1 | Low | 55.1 | Low | 105 Ų | 105 | 125.7 Ų | 125.7 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.4 | -43.3 | 172.5 | -168.3 | -96.8 | 0 | 0 | 0 | 111.7 | I218 I221 Q228 R234 M235 | I218-F232 HydrophobicContact CD1-CE2 4.33Å; I218-F232 HydrophobicContact CD1-CZ 4.34Å; I221-F232 HydrophobicContact CD1-CD2 4.14Å; I221-F232 HydrophobicContact CD1-CE2 4.36Å; Q228-F232 WeakPolarHBondContact O-CB 3.39Å; Q228-F232 PolarHBondContact O-N 3.14Å; F232-R234 PolarHBondContact O-N 3.46Å; F232-M235 WeakPolarHBondContact O-CB 3.49Å; F232-M235 PolarHBondContact O-N 3.11Å; F232-M235 VanDerWaalsContact O-N 3.14Å |
| 233 | A | 59 | Low | 55.1 | Low | 84 Ų | 84 | 127.9 Ų | 127.9 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -19.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L229 | L229-A233 VanDerWaalsContact O-CB 3.27Å; L229-A233 WeakPolarHBondContact O-CB 3.48Å; L229-A233 PolarHBondContact O-N 2.82Å |
| 234 | R | 60.5 | Low | 55.1 | Low | 208 Ų | 208 | 127.3 Ų | 127.3 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -90.9 | -10 | 174.8 | -75.6 | 169.3 | -174.2 | -130 | 1.9 | 113.3 | A230 E231 F232 K236 | A230-R234 WeakPolarHBondContact O-CB 3.44Å; A230-R234 VanDerWaalsContact O-CD 3.28Å; A230-R234 WeakPolarHBondContact O-CD 3.37Å; A230-R234 WeakPolarHBondContact O-CG 3.45Å; A230-R234 PolarHBondContact O-N 3.38Å; A230-R234 VanDerWaalsContact O-N 3.11Å; E231-R234 CarbonylContact O-C 3.56Å; E231-R234 PolarHBondContact O-N 3.13Å; E231-R234 VanDerWaalsContact O-N 3.11Å; F232-R234 PolarHBondContact O-N 3.46Å; R234-K236 PolarHBondContact O-N 2.82Å |
| 235 | M | 56.3 | Low | 55.3 | Low | 130 Ų | 130 | 125.6 Ų | 125.6 | 64% | 0.64 | 63% | 0.629 | S | S | * | * | trans | -65.7 | 105.3 | 169.8 | -68.5 | -163.4 | -171 | 0 | 0 | 108.5 | E231 F232 | E231-M235 PolarHBondContact O-N 2.86Å; E231-M235 VanDerWaalsContact O-N 3.09Å; F232-M235 WeakPolarHBondContact O-CB 3.49Å; F232-M235 PolarHBondContact O-N 3.11Å; F232-M235 VanDerWaalsContact O-N 3.14Å | ||
| 236 | K | 51 | Low | 55.4 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.3 | 171.5 | -69.3 | 178 | -179.7 | 177.6 | 0 | 107.8 | R234 R238 | R234-K236 PolarHBondContact O-N 2.82Å; K236-R238 PolarHBondContact O-N 3.34Å; K236-R238 VanDerWaalsContact O-N 3.15Å |
| 237 | P | 50.7 | Low | 55.6 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 129 | 170 | 21.3 | -30.6 | 0 | 0 | 0 | 107.6 | K239 | P237-K239 PolarHBondContact O-N 2.96Š|
| 238 | R | 47.3 | Very low | 56.7 | Low | 218 Ų | 218 | 128.9 Ų | 128.9 | 82% | 0.823 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118 | 178.9 | -151.9 | 177.5 | -172.5 | -118.3 | 7 | 105.9 | K236 V240 | K236-R238 PolarHBondContact O-N 3.34Å; K236-R238 VanDerWaalsContact O-N 3.15Å; R238-V240 VanDerWaalsContact C-N 3.31Å; R238-V240 PolarHBondContact O-N 3.3Å |
| 239 | K | 44.2 | Very low | 58.1 | Low | 196 Ų | 196 | 128.3 Ų | 128.3 | 85% | 0.852 | 64% | 0.638 | S | S | * | * | trans | -61.3 | 102.7 | 172.7 | -73.8 | -174.7 | 177.3 | -174.1 | 0 | 105.8 | P237 K241 | P237-K239 PolarHBondContact O-N 2.96Å; K239-K241 PolarHBondContact O-N 2.87Å | ||
| 240 | V | 46.7 | Very low | 59.7 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | trans | -54.4 | 112.4 | 168.3 | -178.5 | 0 | 0 | 0 | 0 | 104.5 | R238 D244 | R238-V240 VanDerWaalsContact C-N 3.31Å; R238-V240 PolarHBondContact O-N 3.3Å; V240-D244 HydrophobicContact CG1-CB 3.55Å | ||
| 241 | K | 52 | Low | 61 | Low | 145 Ų | 145 | 125.4 Ų | 125.4 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | trans | -66.8 | 147.9 | 172.5 | -67.4 | 179.1 | -179.6 | 178.5 | 0 | 105.7 | K239 D243 D244 | K239-K241 PolarHBondContact O-N 2.87Å; K241-D243 HydrophobicContact CB-CB 4.49Å; K241-D243 PolarHBondContact O-N 3.4Å; K241-D244 PolarHBondContact N-OD2 3.15Å; K241-D244 WeakPolarHBondContact O-CB 3.37Å; K241-D244 PolarHBondContact O-N 2.82Å | ||
| 242 | E | 53.2 | Low | 62.3 | Low | 193 Ų | 193 | 124.1 Ų | 124.1 | 90% | 0.902 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -54.7 | -17 | 176.9 | -73.3 | 172.6 | 149.3 | 0 | 0 | 112.5 | D244 | E242-D244 VanDerWaalsContact C-N 3.34Å; E242-D244 PolarHBondContact O-N 3.3Å |
| 243 | D | 54.6 | Low | 63.8 | Low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -76.8 | -7.2 | 174.4 | -47.9 | -49.3 | 0 | 0 | 0 | 115.5 | K241 | K241-D243 HydrophobicContact CB-CB 4.49Å; K241-D243 PolarHBondContact O-N 3.4Å |
| 244 | D | 52.3 | Low | 65.2 | Low | 83 Ų | 83 | 128.6 Ų | 128.6 | 44% | 0.444 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -92.9 | 12.1 | 180 | -70 | -44 | 0 | 0 | 0 | 112.7 | V240 K241 E242 | V240-D244 HydrophobicContact CG1-CB 3.55Å; K241-D244 PolarHBondContact N-OD2 3.15Å; K241-D244 WeakPolarHBondContact O-CB 3.37Å; K241-D244 PolarHBondContact O-N 2.82Å; E242-D244 VanDerWaalsContact C-N 3.34Å; E242-D244 PolarHBondContact O-N 3.3Å |
| 245 | A | 58.1 | Low | 66.6 | Low | 66 Ų | 66 | 122.5 Ų | 122.5 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -57.6 | 131.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R247 | A245-R247 PolarHBondContact O-N 3.15Š|
| 246 | P | 60.4 | Low | 68.2 | Low | 102 Ų | 102 | 117.4 Ų | 117.4 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | trans | -56.9 | 117.3 | 176.9 | 22.2 | -30.1 | 0 | 0 | 0 | 106.9 | T248 | P246-T248 HydrophobicContact CB-CG2 4.46Å; P246-T248 PolarHBondContact O-N 2.89Å | ||
| 247 | R | 66.3 | Low | 70.1 | Confident | 229 Ų | 229 | 114.7 Ų | 114.7 | 86% | 0.864 | 61% | 0.612 | S | S | * | * | trans | -60.7 | 93 | 174.1 | -73.7 | -177.8 | 179.1 | 165.9 | -0.5 | 106.9 | A245 | A245-R247 PolarHBondContact O-N 3.15Š| ||
| 248 | T | 83.2 | Confident | 72 | Confident | 63 Ų | 63 | 114.4 Ų | 114.4 | 39% | 0.387 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -88.1 | 141.4 | 179.1 | 44.1 | 0 | 0 | 0 | 0 | 108.3 | P246 M259 F260 | P246-T248 HydrophobicContact CB-CG2 4.46Å; P246-T248 PolarHBondContact O-N 2.89Å; T248-M259 WeakPolarHBondContact OG1-CE 3.23Å; T248-F260 CarbonylContact C-O 3.53Å; T248-F260 WeakPolarHBondContact CA-O 3.39Å; T248-F260 WeakPolarHBondContact CB-O 3.42Å |
| 249 | I | 86.4 | Confident | 74.1 | Confident | 60 Ų | 60 | 109.6 Ų | 109.6 | 31% | 0.308 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 118.8 | -176.3 | -62.1 | 159.2 | 0 | 0 | 0 | 106.9 | M259 F260 D262 N263 M266 | I249-M259 CarbonylContact O-C 3.23Å; I249-M259 WeakPolarHBondContact O-CA 3.3Å; I249-F260 PolarHBondContact N-O 3.15Å; I249-F260 PolarHBondContact O-N 3.33Å; I249-D262 VanDerWaalsContact CD1-C 3.48Å; I249-N263 HydrophobicContact CD1-CB 3.84Å; I249-N263 VanDerWaalsContact CD1-N 3.26Å; I249-M266 HydrophobicContact CG2-CB 4.2Å; I249-M266 HydrophobicContact CG2-CE 4.49Å; I249-M266 HydrophobicContact CG2-CG 3.97Å |
| 250 | A | 89.4 | Confident | 76.2 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.8 | 149.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | P252 | A250-P252 WeakPolarHBondContact O-CD 3.49Å |
| 251 | C | 91.6 | Very high | 78.1 | Confident | 11 Ų | 11 | 107.8 Ų | 107.8 | 7% | 0.074 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -64.1 | 130.6 | 170.2 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | H253 C256 K258 F260 | C251-H253 PolarHBondContact O-N 3.47Å; C251-H253 VanDerWaalsContact SG-CB 3.59Å; C251-H253 PolarHBondContact SG-N 3.11Å; C251-H253 VanDerWaalsContact SG-N 3.44Å; C251-C256 HydrophobicContact CB-CB 3.93Å; C251-K258 PolarHBondContact N-O 3.05Å; C251-F260 HydrophobicContact CB-CE2 4.26Å |
| 252 | P | 88.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | trans | -70.1 | -14.5 | 174.4 | -21.3 | 33.5 | 0 | 0 | 0 | 114.4 | A250 K254 M266 | A250-P252 WeakPolarHBondContact O-CD 3.49Å; P252-K254 PolarHBondContact O-N 2.99Å; P252-M266 VanDerWaalsContact CD-SD 3.51Å; P252-M266 HydrophobicContact CG-SD 4.12Å | ||
| 253 | H | 88.6 | Confident | 81.3 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -68.2 | 128.4 | -175.6 | -173 | 79.5 | 0 | 0 | 0 | 111.3 | C251 G255 C256 L270 H273 | C251-H253 PolarHBondContact O-N 3.47Å; C251-H253 VanDerWaalsContact SG-CB 3.59Å; C251-H253 PolarHBondContact SG-N 3.11Å; C251-H253 VanDerWaalsContact SG-N 3.44Å; H253-G255 PolarHBondContact O-N 3.47Å; H253-C256 HydrophobicContact CB-CB 3.99Å; H253-C256 WeakPolarHBondContact O-CB 3.34Å; H253-C256 PolarHBondContact O-N 3.45Å; H253-L270 HydrophobicContact CB-CD1 4.31Å; H253-H273 HydrophobicContact CB-CB 4.28Å; H253-H273 VanDerWaalsContact CB-CD2 3.47Å; H253-H273 WeakPolarHBondContact CB-CD2 3.24Å; H253-H273 AromaticContact CD2-CE1 3.71Å; H253-H273 AromaticContact CD2-CG 3.65Å; H253-H273 AromaticContact CD2-ND1 3.41Å; H253-H273 PolarHBondContact CD2-ND1 2.78Å; H253-H273 AromaticContact CG-CD2 3.7Å; H253-H273 AromaticContact CG-CG 3.45Å; H253-H273 VanDerWaalsContact CG-CG 3.45Å; H253-H273 AromaticContact CG-ND1 3.74Å; H253-H273 AromaticContact ND1-CG 3.78Å; H253-H273 AromaticContact NE2-ND1 3.77Å |
| 254 | K | 89.1 | Confident | 82.9 | Confident | 200 Ų | 200 | 95 Ų | 95 | 87% | 0.87 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 123 | -178.8 | -173.9 | -175.6 | 177.6 | -173.9 | 0 | 110 | P252 C256 | P252-K254 PolarHBondContact O-N 2.99Å; K254-C256 VanDerWaalsContact C-N 3.33Å |
| 255 | G | 88.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 83% | 0.825 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -6.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H253 | H253-G255 PolarHBondContact O-N 3.47Š|
| 256 | C | 91 | Very high | 86.1 | Confident | 23 Ų | 23 | 90.3 Ų | 90.3 | 16% | 0.155 | 48% | 0.483 | C | S | . | . | trans | -88.4 | 120.3 | 171.6 | -169.4 | 0 | 0 | 0 | 0 | 111.1 | C251 H253 K254 H269 H273 | C251-C256 HydrophobicContact CB-CB 3.93Å; H253-C256 HydrophobicContact CB-CB 3.99Å; H253-C256 WeakPolarHBondContact O-CB 3.34Å; H253-C256 PolarHBondContact O-N 3.45Å; K254-C256 VanDerWaalsContact C-N 3.33Å; C256-H269 PolarHBondContact SG-NE2 2.76Å; C256-H273 PolarHBondContact SG-NE2 3.06Å; C256-H273 VanDerWaalsContact SG-NE2 3.37Å | ||
| 257 | T | 90.9 | Very high | 87.3 | Confident | 134 Ų | 134 | 93.7 Ų | 93.7 | 82% | 0.822 | 48% | 0.483 | S | S | * | . | trans | -95.6 | 5.6 | 178.3 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 258 | K | 90.1 | Very high | 88.2 | Confident | 112 Ų | 112 | 90.3 Ų | 90.3 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | trans | -69.9 | 138.2 | -176 | -63.3 | -165.3 | -173.4 | -170.9 | 0 | 111.2 | C251 F260 | C251-K258 PolarHBondContact N-O 3.05Å; K258-F260 HydrophobicContact CB-CE2 3.73Å; K258-F260 HydrophobicContact CB-CZ 3.71Å; K258-F260 HydrophobicContact CD-CZ 4.4Å | ||
| 259 | M | 90.8 | Very high | 88.4 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146 | 177.2 | -59.1 | -174.3 | 80 | 0 | 0 | 110.4 | T248 I249 | T248-M259 WeakPolarHBondContact OG1-CE 3.23Å; I249-M259 CarbonylContact O-C 3.23Å; I249-M259 WeakPolarHBondContact O-CA 3.3Å |
| 260 | F | 89.1 | Confident | 88.4 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.5 | -171.7 | -61.3 | -85 | 0 | 0 | 0 | 111.2 | T248 I249 C251 K258 D262 A265 M266 H269 | T248-F260 CarbonylContact C-O 3.53Å; T248-F260 WeakPolarHBondContact CA-O 3.39Å; T248-F260 WeakPolarHBondContact CB-O 3.42Å; I249-F260 PolarHBondContact N-O 3.15Å; I249-F260 PolarHBondContact O-N 3.33Å; C251-F260 HydrophobicContact CB-CE2 4.26Å; K258-F260 HydrophobicContact CB-CE2 3.73Å; K258-F260 HydrophobicContact CB-CZ 3.71Å; K258-F260 HydrophobicContact CD-CZ 4.4Å; F260-D262 VanDerWaalsContact C-N 3.33Å; F260-D262 WeakPolarHBondContact CB-O 3.4Å; F260-A265 HydrophobicContact CB-CB 4.36Å; F260-A265 HydrophobicContact CD1-CB 3.84Å; F260-A265 HydrophobicContact CG-CB 4.46Å; F260-M266 HydrophobicContact CB-CB 3.83Å; F260-M266 HydrophobicContact CD2-CB 3.54Å; F260-M266 HydrophobicContact CD2-CG 3.76Å; F260-M266 HydrophobicContact CE2-CB 4.36Å; F260-M266 HydrophobicContact CE2-CG 4.32Å; F260-M266 HydrophobicContact CG-CB 3.69Å; F260-M266 HydrophobicContact CG-CG 4.43Å; F260-H269 HydrophobicContact CE1-CB 3.55Å; F260-H269 AromaticContact CE1-CG 3.94Å; F260-H269 HydrophobicContact CE2-CB 4.01Å; F260-H269 AromaticContact CE2-CD2 3.36Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.47Å; F260-H269 AromaticContact CE2-CG 3.86Å; F260-H269 HydrophobicContact CZ-CB 3.28Å; F260-H269 AromaticContact CZ-CD2 3.14Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.19Å |
| 261 | R | 87.6 | Confident | 88.1 | Confident | 232 Ų | 232 | 90.5 Ų | 90.5 | 88% | 0.875 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -72.8 | -29.8 | 177.1 | -63.1 | 179.9 | -177.1 | 136.3 | -0.5 | 112.1 | ||
| 262 | D | 86.2 | Confident | 87.8 | Confident | 77 Ų | 77 | 93.2 Ų | 93.2 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -142.6 | 165.8 | -178.3 | 68.1 | 0.8 | 0 | 0 | 0 | 112.2 | I249 F260 S264 A265 M266 | I249-D262 VanDerWaalsContact CD1-C 3.48Å; F260-D262 VanDerWaalsContact C-N 3.33Å; F260-D262 WeakPolarHBondContact CB-O 3.4Å; D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 2.96Å; D262-A265 WeakPolarHBondContact OD1-CA 3.42Å; D262-A265 WeakPolarHBondContact OD1-CB 3.44Å; D262-A265 PolarHBondContact OD1-N 3.36Å; D262-M266 PolarHBondContact O-N 2.8Å |
| 263 | N | 85.1 | Confident | 87.7 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.1 | -28.9 | -178.9 | -163.6 | -12.2 | 0 | 0 | 0 | 110.9 | I249 M266 R267 | I249-N263 HydrophobicContact CD1-CB 3.84Å; I249-N263 VanDerWaalsContact CD1-N 3.26Å; N263-M266 PolarHBondContact O-N 3.3Å; N263-M266 WeakPolarHBondContact OD1-CE 3.48Å; N263-R267 WeakPolarHBondContact O-CB 3.33Å; N263-R267 WeakPolarHBondContact O-CG 3.18Å; N263-R267 PolarHBondContact O-N 3.37Å |
| 264 | S | 87.6 | Confident | 87.4 | Confident | 62 Ų | 62 | 88.6 Ų | 88.6 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | D262 M266 R267 K268 | D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 2.96Å; S264-M266 PolarHBondContact O-N 3.43Å; S264-R267 PolarHBondContact O-N 3.1Å; S264-K268 WeakPolarHBondContact O-CG 3.47Å; S264-K268 PolarHBondContact O-N 2.96Å |
| 265 | A | 88.3 | Confident | 87.2 | Confident | 37 Ų | 37 | 83.9 Ų | 83.9 | 31% | 0.306 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F260 D262 K268 H269 | F260-A265 HydrophobicContact CB-CB 4.36Å; F260-A265 HydrophobicContact CD1-CB 3.84Å; F260-A265 HydrophobicContact CG-CB 4.46Å; D262-A265 WeakPolarHBondContact OD1-CA 3.42Å; D262-A265 WeakPolarHBondContact OD1-CB 3.44Å; D262-A265 PolarHBondContact OD1-N 3.36Å; A265-K268 PolarHBondContact O-N 3.47Å; A265-H269 WeakPolarHBondContact O-CB 3.41Å; A265-H269 PolarHBondContact O-N 3.46Å |
| 266 | M | 90.1 | Very high | 87.2 | Confident | 13 Ų | 13 | 86.5 Ų | 86.5 | 6% | 0.064 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.5 | -179.4 | -75.6 | -49.2 | 0 | 0 | 111.7 | I249 P252 F260 D262 N263 S264 H269 L270 | I249-M266 HydrophobicContact CG2-CB 4.2Å; I249-M266 HydrophobicContact CG2-CE 4.49Å; I249-M266 HydrophobicContact CG2-CG 3.97Å; P252-M266 VanDerWaalsContact CD-SD 3.51Å; P252-M266 HydrophobicContact CG-SD 4.12Å; F260-M266 HydrophobicContact CB-CB 3.83Å; F260-M266 HydrophobicContact CD2-CB 3.54Å; F260-M266 HydrophobicContact CD2-CG 3.76Å; F260-M266 HydrophobicContact CE2-CB 4.36Å; F260-M266 HydrophobicContact CE2-CG 4.32Å; F260-M266 HydrophobicContact CG-CB 3.69Å; F260-M266 HydrophobicContact CG-CG 4.43Å; D262-M266 PolarHBondContact O-N 2.8Å; N263-M266 PolarHBondContact O-N 3.3Å; N263-M266 WeakPolarHBondContact OD1-CE 3.48Å; S264-M266 PolarHBondContact O-N 3.43Å; M266-H269 CarbonylContact O-C 3.47Å; M266-H269 WeakPolarHBondContact O-CB 3.3Å; M266-H269 PolarHBondContact O-N 3.37Å; M266-L270 PolarHBondContact O-N 2.75Å; M266-L270 HydrophobicContact SD-CB 4.49Å |
| 267 | R | 85.3 | Confident | 87 | Confident | 174 Ų | 174 | 89.9 Ų | 89.9 | 66% | 0.657 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 177.6 | -81.1 | -177 | 177.9 | 155.8 | -1.6 | 112.2 | N263 S264 H269 L270 H271 | N263-R267 WeakPolarHBondContact O-CB 3.33Å; N263-R267 WeakPolarHBondContact O-CG 3.18Å; N263-R267 PolarHBondContact O-N 3.37Å; S264-R267 PolarHBondContact O-N 3.1Å; R267-H269 VanDerWaalsContact C-N 3.28Å; R267-H269 PolarHBondContact O-N 3.34Å; R267-L270 WeakPolarHBondContact O-CB 3.44Å; R267-L270 PolarHBondContact O-N 2.79Å; R267-L270 VanDerWaalsContact O-N 3.16Å; R267-H271 PolarHBondContact O-N 3.28Å |
| 268 | K | 85.6 | Confident | 87 | Confident | 157 Ų | 157 | 86.3 Ų | 86.3 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 173.9 | -72.2 | 178.4 | -178.9 | -175.3 | 0 | 111.1 | S264 A265 H271 | S264-K268 WeakPolarHBondContact O-CG 3.47Å; S264-K268 PolarHBondContact O-N 2.96Å; A265-K268 PolarHBondContact O-N 3.47Å; K268-H271 WeakPolarHBondContact O-CB 3.31Å; K268-H271 PolarHBondContact O-N 3.22Å |
| 269 | H | 87.6 | Confident | 87.1 | Confident | 19 Ų | 19 | 84.9 Ų | 84.9 | 9% | 0.088 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 174 | 170.3 | 54.3 | 0 | 0 | 0 | 112.7 | C256 F260 A265 M266 R267 H271 T272 H273 | C256-H269 PolarHBondContact SG-NE2 2.76Å; F260-H269 HydrophobicContact CE1-CB 3.55Å; F260-H269 AromaticContact CE1-CG 3.94Å; F260-H269 HydrophobicContact CE2-CB 4.01Å; F260-H269 AromaticContact CE2-CD2 3.36Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.47Å; F260-H269 AromaticContact CE2-CG 3.86Å; F260-H269 HydrophobicContact CZ-CB 3.28Å; F260-H269 AromaticContact CZ-CD2 3.14Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.19Å; A265-H269 WeakPolarHBondContact O-CB 3.41Å; A265-H269 PolarHBondContact O-N 3.46Å; M266-H269 CarbonylContact O-C 3.47Å; M266-H269 WeakPolarHBondContact O-CB 3.3Å; M266-H269 PolarHBondContact O-N 3.37Å; R267-H269 VanDerWaalsContact C-N 3.28Å; R267-H269 PolarHBondContact O-N 3.34Å; H269-H271 PolarHBondContact O-N 2.9Å; H269-H271 VanDerWaalsContact O-N 3.1Å; H269-T272 PolarHBondContact CE1-OG1 3.45Å; H269-T272 VanDerWaalsContact CE1-OG1 3.24Å; H269-T272 PolarHBondContact ND1-OG1 2.99Å; H269-T272 VanDerWaalsContact ND1-OG1 3.13Å; H269-T272 WeakPolarHBondContact O-CB 3.41Å; H269-T272 WeakPolarHBondContact O-CG2 3.37Å; H269-T272 PolarHBondContact O-N 3.3Å; H269-T272 PolarHBondContact O-OG1 3.45Å; H269-H273 AromaticContact CD2-NE2 3.9Å; H269-H273 AromaticContact CE1-CD2 3.94Å; H269-H273 AromaticContact CE1-CE1 3.88Å; H269-H273 AromaticContact CE1-NE2 3.21Å; H269-H273 PolarHBondContact CE1-NE2 3.39Å; H269-H273 AromaticContact NE2-CD2 3.7Å; H269-H273 AromaticContact NE2-CE1 3.91Å; H269-H273 AromaticContact NE2-NE2 2.93Å; H269-H273 PolarHBondContact NE2-NE2 3.41Å |
| 270 | L | 85.6 | Confident | 87.1 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.7 | -30.5 | -179.6 | -172.6 | 62.8 | 0 | 0 | 0 | 111.8 | H253 M266 R267 T272 H273 G274 | H253-L270 HydrophobicContact CB-CD1 4.31Å; M266-L270 PolarHBondContact O-N 2.75Å; M266-L270 HydrophobicContact SD-CB 4.49Å; R267-L270 WeakPolarHBondContact O-CB 3.44Å; R267-L270 PolarHBondContact O-N 2.79Å; R267-L270 VanDerWaalsContact O-N 3.16Å; L270-T272 PolarHBondContact O-N 3.02Å; L270-H273 PolarHBondContact O-N 2.9Å; L270-G274 PolarHBondContact O-N 3.5Å |
| 271 | H | 82.8 | Confident | 87.2 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.7 | -33.6 | 172.6 | -169.7 | 58.4 | 0 | 0 | 0 | 112.4 | R267 K268 H269 H273 G274 V288 | R267-H271 PolarHBondContact O-N 3.28Å; K268-H271 WeakPolarHBondContact O-CB 3.31Å; K268-H271 PolarHBondContact O-N 3.22Å; H269-H271 PolarHBondContact O-N 2.9Å; H269-H271 VanDerWaalsContact O-N 3.1Å; H271-H273 PolarHBondContact O-N 3.39Å; H271-H273 VanDerWaalsContact O-N 3.17Å; H271-G274 WeakPolarHBondContact O-CA 3.33Å; H271-G274 PolarHBondContact O-N 3.27Å; H271-V288 PolarHBondContact NE2-O 3.23Å; H271-V288 WeakPolarHBondContact O-CG1 3.37Å |
| 272 | T | 86.5 | Confident | 87.3 | Confident | 68 Ų | 68 | 77.8 Ų | 77.8 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.6 | 177.8 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | H269 L270 | H269-T272 PolarHBondContact CE1-OG1 3.45Å; H269-T272 VanDerWaalsContact CE1-OG1 3.24Å; H269-T272 PolarHBondContact ND1-OG1 2.99Å; H269-T272 VanDerWaalsContact ND1-OG1 3.13Å; H269-T272 WeakPolarHBondContact O-CB 3.41Å; H269-T272 WeakPolarHBondContact O-CG2 3.37Å; H269-T272 PolarHBondContact O-N 3.3Å; H269-T272 PolarHBondContact O-OG1 3.45Å; L270-T272 PolarHBondContact O-N 3.02Å |
| 273 | H | 85.8 | Confident | 87.5 | Confident | 63 Ų | 63 | 76.8 Ų | 76.8 | 29% | 0.292 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.2 | 172.6 | -58.2 | -61.7 | 0 | 0 | 0 | 112.9 | H253 C256 H269 L270 H271 | H253-H273 HydrophobicContact CB-CB 4.28Å; H253-H273 VanDerWaalsContact CB-CD2 3.47Å; H253-H273 WeakPolarHBondContact CB-CD2 3.24Å; H253-H273 AromaticContact CD2-CE1 3.71Å; H253-H273 AromaticContact CD2-CG 3.65Å; H253-H273 AromaticContact CD2-ND1 3.41Å; H253-H273 PolarHBondContact CD2-ND1 2.78Å; H253-H273 AromaticContact CG-CD2 3.7Å; H253-H273 AromaticContact CG-CG 3.45Å; H253-H273 VanDerWaalsContact CG-CG 3.45Å; H253-H273 AromaticContact CG-ND1 3.74Å; H253-H273 AromaticContact ND1-CG 3.78Å; H253-H273 AromaticContact NE2-ND1 3.77Å; C256-H273 PolarHBondContact SG-NE2 3.06Å; C256-H273 VanDerWaalsContact SG-NE2 3.37Å; H269-H273 AromaticContact CD2-NE2 3.9Å; H269-H273 AromaticContact CE1-CD2 3.94Å; H269-H273 AromaticContact CE1-CE1 3.88Å; H269-H273 AromaticContact CE1-NE2 3.21Å; H269-H273 PolarHBondContact CE1-NE2 3.39Å; H269-H273 AromaticContact NE2-CD2 3.7Å; H269-H273 AromaticContact NE2-CE1 3.91Å; H269-H273 AromaticContact NE2-NE2 2.93Å; H269-H273 PolarHBondContact NE2-NE2 3.41Å; L270-H273 PolarHBondContact O-N 2.9Å; H271-H273 PolarHBondContact O-N 3.39Å; H271-H273 VanDerWaalsContact O-N 3.17Å |
| 274 | G | 82.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 75.9 Ų | 75.9 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -70.6 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L270 H271 | L270-G274 PolarHBondContact O-N 3.5Å; H271-G274 WeakPolarHBondContact O-CA 3.33Å; H271-G274 PolarHBondContact O-N 3.27Å |
| 275 | P | 84.2 | Confident | 87.8 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 66% | 0.662 | 43% | 0.427 | S | S | * | . | trans | -61.8 | 139.1 | 177.8 | 27.2 | -34.1 | 0 | 0 | 0 | 110.7 | V277 | P275-V277 VanDerWaalsContact C-N 3.26Å; P275-V277 HydrophobicContact CB-CG1 3.87Å; P275-V277 HydrophobicContact CG-CG1 3.89Å; P275-V277 PolarHBondContact O-N 3.01Å | ||
| 276 | R | 88.8 | Confident | 87.8 | Confident | 134 Ų | 134 | 78.4 Ų | 78.4 | 51% | 0.506 | 42% | 0.424 | S | S | . | . | trans | -81.6 | 74.9 | 175.8 | -62.1 | 178.3 | 78.9 | 112.7 | -3.9 | 109.2 | A286 F287 V288 | R276-A286 HydrophobicContact CB-CB 3.73Å; R276-A286 PolarHBondContact NE-O 3.31Å; R276-A286 PolarHBondContact NH2-O 3.42Å; R276-F287 CarbonylContact C-O 3.59Å; R276-F287 VanDerWaalsContact C-O 3.26Å; R276-F287 VanDerWaalsContact CA-O 3.28Å; R276-F287 WeakPolarHBondContact CA-O 3.41Å; R276-V288 HydrophobicContact CG-CG2 3.67Å | ||
| 277 | V | 87.1 | Confident | 87.7 | Confident | 95 Ų | 95 | 79.4 Ų | 79.4 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | trans | -79 | -16.8 | -173 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | P275 V279 F287 | P275-V277 VanDerWaalsContact C-N 3.26Å; P275-V277 HydrophobicContact CB-CG1 3.87Å; P275-V277 HydrophobicContact CG-CG1 3.89Å; P275-V277 PolarHBondContact O-N 3.01Å; V277-V279 PolarHBondContact O-N 3Å; V277-F287 PolarHBondContact N-O 3.48Å | ||
| 278 | H | 90.7 | Very high | 87.9 | Confident | 59 Ų | 59 | 72 Ų | 72 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 96.6 | -176.9 | -60.7 | -66.4 | 0 | 0 | 0 | 110.5 | A286 F287 V288 S290 L293 | H278-A286 CarbonylContact O-C 3.56Å; H278-A286 WeakPolarHBondContact O-CA 3.48Å; H278-F287 HydrophobicContact CB-CB 4.31Å; H278-F287 WeakPolarHBondContact CB-O 3.5Å; H278-F287 PolarHBondContact N-O 2.97Å; H278-F287 PolarHBondContact O-N 2.84Å; H278-V288 PolarHBondContact CD2-O 2.93Å; H278-V288 VanDerWaalsContact CD2-O 3.27Å; H278-S290 PolarHBondContact CD2-N 3.3Å; H278-S290 PolarHBondContact NE2-N 3.09Å; H278-L293 HydrophobicContact CB-CB 3.99Å; H278-L293 HydrophobicContact CB-CD2 3.85Å |
| 279 | V | 92.1 | Very high | 87.9 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.8 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | V277 A281 A286 | V277-V279 PolarHBondContact O-N 3Å; V279-A281 PolarHBondContact O-N 3.35Å; V279-A286 HydrophobicContact CG2-CB 4.06Å |
| 280 | C | 91.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | trans | -73.3 | 121.4 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | E282 C283 G284 K285 L293 | C280-E282 PolarHBondContact O-N 3.13Å; C280-C283 VanDerWaalsContact SG-SG 3.61Å; C280-G284 WeakPolarHBondContact O-CA 3.32Å; C280-G284 PolarHBondContact O-N 3.23Å; C280-K285 HydrophobicContact CB-CB 4.44Å; C280-K285 WeakPolarHBondContact CB-O 3.43Å; C280-K285 PolarHBondContact N-O 3.43Å; C280-L293 HydrophobicContact CB-CD1 3.62Å | ||
| 281 | A | 91.7 | Very high | 88.1 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 87% | 0.868 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V279 | V279-A281 PolarHBondContact O-N 3.35Š|
| 282 | E | 89.3 | Confident | 88.4 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -35.1 | -174.9 | -62.7 | -170 | -145.2 | 0 | 0 | 113.7 | C280 H300 | C280-E282 PolarHBondContact O-N 3.13Å; E282-H300 IonicContact OE1-CG 3.71Å; E282-H300 WeakPolarHBondContact OE2-CB 3.44Å; E282-H300 IonicContact OE2-CD2 3.97Å; E282-H300 IonicContact OE2-CE1 3.17Å; E282-H300 IonicContact OE2-CG 3.99Å; E282-H300 IonicContact OE2-ND1 3.88Å; E282-H300 PolarHBondContact OE2-ND1 3.38Å |
| 283 | C | 90.6 | Very high | 88.6 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 3 | -175.8 | 68.8 | 0 | 0 | 0 | 0 | 114.7 | C280 K285 H296 H300 | C280-C283 VanDerWaalsContact SG-SG 3.61Å; C283-K285 PolarHBondContact O-N 3.39Å; C283-K285 VanDerWaalsContact O-N 3.11Å; C283-K285 VanDerWaalsContact SG-CG 3.55Å; C283-H296 PolarHBondContact SG-NE2 2.74Å; C283-H300 PolarHBondContact SG-NE2 2.77Å; C283-H300 VanDerWaalsContact SG-NE2 3.39Å |
| 284 | G | 88.9 | Confident | 88.8 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | trans | 69.7 | 2.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | C280 A286 | C280-G284 WeakPolarHBondContact O-CA 3.32Å; C280-G284 PolarHBondContact O-N 3.23Å; G284-A286 PolarHBondContact O-N 3.36Å | ||
| 285 | K | 89.8 | Confident | 89.1 | Confident | 123 Ų | 123 | 73.1 Ų | 73.1 | 54% | 0.535 | 41% | 0.405 | S | S | . | . | trans | -65.4 | 125.9 | 178.6 | -74.2 | -179.5 | -177.3 | 179.1 | 0 | 110.6 | C280 C283 F287 | C280-K285 HydrophobicContact CB-CB 4.44Å; C280-K285 WeakPolarHBondContact CB-O 3.43Å; C280-K285 PolarHBondContact N-O 3.43Å; C283-K285 PolarHBondContact O-N 3.39Å; C283-K285 VanDerWaalsContact O-N 3.11Å; C283-K285 VanDerWaalsContact SG-CG 3.55Å; K285-F287 HydrophobicContact CB-CE2 3.81Å; K285-F287 HydrophobicContact CB-CZ 3.98Å; K285-F287 WeakPolarHBondContact O-CD2 3.41Å; K285-F287 WeakPolarHBondContact O-CE2 3.4Å | ||
| 286 | A | 87.5 | Confident | 89.4 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 144.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R276 H278 V279 G284 | R276-A286 HydrophobicContact CB-CB 3.73Å; R276-A286 PolarHBondContact NE-O 3.31Å; R276-A286 PolarHBondContact NH2-O 3.42Å; H278-A286 CarbonylContact O-C 3.56Å; H278-A286 WeakPolarHBondContact O-CA 3.48Å; V279-A286 HydrophobicContact CG2-CB 4.06Å; G284-A286 PolarHBondContact O-N 3.36Å |
| 287 | F | 88.8 | Confident | 89.4 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.6 | -179.8 | -58.6 | -89.6 | 0 | 0 | 0 | 110.6 | R276 V277 H278 K285 K292 L293 H296 | R276-F287 CarbonylContact C-O 3.59Å; R276-F287 VanDerWaalsContact C-O 3.26Å; R276-F287 VanDerWaalsContact CA-O 3.28Å; R276-F287 WeakPolarHBondContact CA-O 3.41Å; V277-F287 PolarHBondContact N-O 3.48Å; H278-F287 HydrophobicContact CB-CB 4.31Å; H278-F287 WeakPolarHBondContact CB-O 3.5Å; H278-F287 PolarHBondContact N-O 2.97Å; H278-F287 PolarHBondContact O-N 2.84Å; K285-F287 HydrophobicContact CB-CE2 3.81Å; K285-F287 HydrophobicContact CB-CZ 3.98Å; K285-F287 WeakPolarHBondContact O-CD2 3.41Å; K285-F287 WeakPolarHBondContact O-CE2 3.4Å; F287-K292 HydrophobicContact CB-CB 4.14Å; F287-K292 HydrophobicContact CD1-CB 3.91Å; F287-K292 HydrophobicContact CG-CB 4.25Å; F287-L293 HydrophobicContact CB-CB 4.39Å; F287-L293 HydrophobicContact CD2-CB 3.89Å; F287-L293 HydrophobicContact CD2-CD1 3.83Å; F287-L293 HydrophobicContact CD2-CG 4.46Å; F287-L293 HydrophobicContact CE2-CD1 3.94Å; F287-L293 HydrophobicContact CG-CB 4.34Å; F287-H296 HydrophobicContact CE1-CB 4.09Å; F287-H296 HydrophobicContact CE2-CB 3.9Å; F287-H296 AromaticContact CE2-CD2 3.41Å; F287-H296 VanDerWaalsContact CE2-CD2 3.41Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.25Å; F287-H296 AromaticContact CE2-CG 3.7Å; F287-H296 HydrophobicContact CZ-CB 3.49Å; F287-H296 VanDerWaalsContact CZ-CB 3.49Å; F287-H296 AromaticContact CZ-CD2 3.47Å; F287-H296 VanDerWaalsContact CZ-CD2 3.47Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.38Å; F287-H296 AromaticContact CZ-CG 3.3Å; F287-H296 AromaticContact CZ-ND1 3.91Å |
| 288 | V | 88.3 | Confident | 89.5 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -70.2 | -39.2 | 175 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | H271 R276 H278 | H271-V288 PolarHBondContact NE2-O 3.23Å; H271-V288 WeakPolarHBondContact O-CG1 3.37Å; R276-V288 HydrophobicContact CG-CG2 3.67Å; H278-V288 PolarHBondContact CD2-O 2.93Å; H278-V288 VanDerWaalsContact CD2-O 3.27Å |
| 289 | E | 86.5 | Confident | 89.5 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -113.8 | 138.5 | -175 | -65.7 | 173.2 | -170 | 0 | 0 | 110.8 | S291 K292 L293 | E289-S291 VanDerWaalsContact C-N 3.26Å; E289-S291 PolarHBondContact O-N 3.41Å; E289-S291 PolarHBondContact OE2-OG 3.17Å; E289-K292 HydrophobicContact CB-CB 4.38Å; E289-K292 HydrophobicContact CB-CG 3.9Å; E289-K292 WeakPolarHBondContact O-CB 3.32Å; E289-K292 PolarHBondContact O-N 3.21Å; E289-K292 VanDerWaalsContact O-N 3.13Å; E289-L293 PolarHBondContact O-N 2.79Å |
| 290 | S | 88.7 | Confident | 89.4 | Confident | 60 Ų | 60 | 63.4 Ų | 63.4 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 177.2 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | H278 K292 L293 K294 | H278-S290 PolarHBondContact CD2-N 3.3Å; H278-S290 PolarHBondContact NE2-N 3.09Å; S290-K292 VanDerWaalsContact C-N 3.26Å; S290-K292 PolarHBondContact O-N 3.37Å; S290-L293 PolarHBondContact O-N 3.13Å; S290-K294 PolarHBondContact O-N 2.82Å |
| 291 | S | 88.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 175.3 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | E289 R295 | E289-S291 VanDerWaalsContact C-N 3.26Å; E289-S291 PolarHBondContact O-N 3.41Å; E289-S291 PolarHBondContact OE2-OG 3.17Å; S291-R295 VanDerWaalsContact O-CB 3.29Å; S291-R295 WeakPolarHBondContact O-CB 3.33Å; S291-R295 PolarHBondContact O-N 3.1Å |
| 292 | K | 88.9 | Confident | 89.1 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.8 | -39.4 | 177 | -63.9 | -72.3 | -174.6 | 163.9 | 0 | 111.2 | F287 E289 S290 R295 H296 | F287-K292 HydrophobicContact CB-CB 4.14Å; F287-K292 HydrophobicContact CD1-CB 3.91Å; F287-K292 HydrophobicContact CG-CB 4.25Å; E289-K292 HydrophobicContact CB-CB 4.38Å; E289-K292 HydrophobicContact CB-CG 3.9Å; E289-K292 WeakPolarHBondContact O-CB 3.32Å; E289-K292 PolarHBondContact O-N 3.21Å; E289-K292 VanDerWaalsContact O-N 3.13Å; S290-K292 VanDerWaalsContact C-N 3.26Å; S290-K292 PolarHBondContact O-N 3.37Å; K292-R295 PolarHBondContact O-N 3.04Å; K292-H296 VanDerWaalsContact O-CB 3.3Å; K292-H296 WeakPolarHBondContact O-CB 3.47Å; K292-H296 PolarHBondContact O-N 3.36Å |
| 293 | L | 90.5 | Very high | 89.2 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 172.5 | 173.5 | 61.5 | 0 | 0 | 0 | 111.5 | H278 C280 F287 E289 S290 R295 H296 Q297 | H278-L293 HydrophobicContact CB-CB 3.99Å; H278-L293 HydrophobicContact CB-CD2 3.85Å; C280-L293 HydrophobicContact CB-CD1 3.62Å; F287-L293 HydrophobicContact CB-CB 4.39Å; F287-L293 HydrophobicContact CD2-CB 3.89Å; F287-L293 HydrophobicContact CD2-CD1 3.83Å; F287-L293 HydrophobicContact CD2-CG 4.46Å; F287-L293 HydrophobicContact CE2-CD1 3.94Å; F287-L293 HydrophobicContact CG-CB 4.34Å; E289-L293 PolarHBondContact O-N 2.79Å; S290-L293 PolarHBondContact O-N 3.13Å; L293-R295 VanDerWaalsContact C-N 3.26Å; L293-R295 PolarHBondContact O-N 3.24Å; L293-H296 CarbonylContact O-C 3.52Å; L293-H296 WeakPolarHBondContact O-CA 3.41Å; L293-H296 WeakPolarHBondContact O-CB 3.48Å; L293-H296 PolarHBondContact O-N 3.26Å; L293-Q297 HydrophobicContact CD1-CG 4.47Å; L293-Q297 WeakPolarHBondContact O-CG 3.34Å; L293-Q297 PolarHBondContact O-N 3.4Å |
| 294 | K | 89.6 | Confident | 89.2 | Confident | 144 Ų | 144 | 66.1 Ų | 66.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.1 | -42.8 | 176.7 | -74.4 | -176.8 | 178.7 | -177.3 | 0 | 111.9 | S290 H296 Q297 | S290-K294 PolarHBondContact O-N 2.82Å; K294-H296 VanDerWaalsContact C-N 3.34Å; K294-Q297 WeakPolarHBondContact O-CB 3.43Å; K294-Q297 PolarHBondContact O-N 3.2Å |
| 295 | R | 89.3 | Confident | 89.2 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.7 | -171 | 176.4 | 67.9 | 158.1 | 13.6 | 112 | D49 S291 K292 L293 Q297 L298 L319 | D49-R295 IonicContact OD1-NH2 3.03Å; S291-R295 VanDerWaalsContact O-CB 3.29Å; S291-R295 WeakPolarHBondContact O-CB 3.33Å; S291-R295 PolarHBondContact O-N 3.1Å; K292-R295 PolarHBondContact O-N 3.04Å; L293-R295 VanDerWaalsContact C-N 3.26Å; L293-R295 PolarHBondContact O-N 3.24Å; R295-Q297 VanDerWaalsContact C-N 3.31Å; R295-Q297 PolarHBondContact O-N 3.15Å; R295-L298 VanDerWaalsContact O-CB 3.31Å; R295-L298 WeakPolarHBondContact O-CB 3.41Å; R295-L298 WeakPolarHBondContact O-CG 3.47Å; R295-L298 PolarHBondContact O-N 3.13Å; R295-L319 VanDerWaalsContact CD-CD2 3.44Å; R295-L319 HydrophobicContact CG-CD1 4.34Å; R295-L319 HydrophobicContact CG-CD2 3.29Å; R295-L319 HydrophobicContact CG-CG 4.45Å |
| 296 | H | 90.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 10% | 0.102 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 177.9 | 170.3 | 60.5 | 0 | 0 | 0 | 112.3 | C283 F287 K292 L293 K294 L298 V299 H300 | C283-H296 PolarHBondContact SG-NE2 2.74Å; F287-H296 HydrophobicContact CE1-CB 4.09Å; F287-H296 HydrophobicContact CE2-CB 3.9Å; F287-H296 AromaticContact CE2-CD2 3.41Å; F287-H296 VanDerWaalsContact CE2-CD2 3.41Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.25Å; F287-H296 AromaticContact CE2-CG 3.7Å; F287-H296 HydrophobicContact CZ-CB 3.49Å; F287-H296 VanDerWaalsContact CZ-CB 3.49Å; F287-H296 AromaticContact CZ-CD2 3.47Å; F287-H296 VanDerWaalsContact CZ-CD2 3.47Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.38Å; F287-H296 AromaticContact CZ-CG 3.3Å; F287-H296 AromaticContact CZ-ND1 3.91Å; K292-H296 VanDerWaalsContact O-CB 3.3Å; K292-H296 WeakPolarHBondContact O-CB 3.47Å; K292-H296 PolarHBondContact O-N 3.36Å; L293-H296 CarbonylContact O-C 3.52Å; L293-H296 WeakPolarHBondContact O-CA 3.41Å; L293-H296 WeakPolarHBondContact O-CB 3.48Å; L293-H296 PolarHBondContact O-N 3.26Å; K294-H296 VanDerWaalsContact C-N 3.34Å; H296-L298 PolarHBondContact O-N 3.24Å; H296-L298 VanDerWaalsContact O-N 3.11Å; H296-V299 VanDerWaalsContact O-CB 3.26Å; H296-V299 WeakPolarHBondContact O-CB 3.38Å; H296-V299 WeakPolarHBondContact O-CG2 3.35Å; H296-V299 PolarHBondContact O-N 3.34Å; H296-H300 AromaticContact CE1-NE2 3.86Å; H296-H300 AromaticContact NE2-CD2 3.94Å; H296-H300 AromaticContact NE2-NE2 3.46Å; H296-H300 PolarHBondContact NE2-NE2 3.16Å |
| 297 | Q | 88.8 | Confident | 89.7 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -23.8 | 175.5 | -72.2 | 174.9 | -40.2 | 0 | 0 | 113.3 | L293 K294 R295 V299 H300 T301 | L293-Q297 HydrophobicContact CD1-CG 4.47Å; L293-Q297 WeakPolarHBondContact O-CG 3.34Å; L293-Q297 PolarHBondContact O-N 3.4Å; K294-Q297 WeakPolarHBondContact O-CB 3.43Å; K294-Q297 PolarHBondContact O-N 3.2Å; R295-Q297 VanDerWaalsContact C-N 3.31Å; R295-Q297 PolarHBondContact O-N 3.15Å; Q297-V299 PolarHBondContact O-N 3.38Å; Q297-H300 WeakPolarHBondContact O-CB 3.39Å; Q297-H300 PolarHBondContact O-N 3.1Å; Q297-T301 PolarHBondContact O-N 2.8Å; Q297-T301 PolarHBondContact O-OG1 3.47Å |
| 298 | L | 89.9 | Confident | 89.9 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -23.4 | 174.3 | -59.8 | 172.3 | 0 | 0 | 0 | 113.1 | R295 H296 H300 G302 E303 S318 L319 | R295-L298 VanDerWaalsContact O-CB 3.31Å; R295-L298 WeakPolarHBondContact O-CB 3.41Å; R295-L298 WeakPolarHBondContact O-CG 3.47Å; R295-L298 PolarHBondContact O-N 3.13Å; H296-L298 PolarHBondContact O-N 3.24Å; H296-L298 VanDerWaalsContact O-N 3.11Å; L298-H300 VanDerWaalsContact C-N 3.32Å; L298-G302 WeakPolarHBondContact O-CA 3.48Å; L298-G302 PolarHBondContact O-N 3.4Å; L298-E303 HydrophobicContact CD2-CB 3.86Å; L298-E303 PolarHBondContact O-N 3.27Å; L298-S318 WeakPolarHBondContact CD1-O 3.41Å; L298-L319 HydrophobicContact CD1-CD2 4.17Å |
| 299 | V | 90.3 | Very high | 90.2 | Very high | 69 Ų | 69 | 71.7 Ų | 71.7 | 42% | 0.418 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | H296 Q297 | H296-V299 VanDerWaalsContact O-CB 3.26Å; H296-V299 WeakPolarHBondContact O-CB 3.38Å; H296-V299 WeakPolarHBondContact O-CG2 3.35Å; H296-V299 PolarHBondContact O-N 3.34Å; Q297-V299 PolarHBondContact O-N 3.38Å |
| 300 | H | 89.1 | Confident | 90.5 | Very high | 65 Ų | 65 | 73.5 Ų | 73.5 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -77.7 | -46.1 | -178.5 | -72.4 | -63.6 | 0 | 0 | 0 | 112.8 | E282 C283 H296 Q297 L298 G302 | E282-H300 IonicContact OE1-CG 3.71Å; E282-H300 WeakPolarHBondContact OE2-CB 3.44Å; E282-H300 IonicContact OE2-CD2 3.97Å; E282-H300 IonicContact OE2-CE1 3.17Å; E282-H300 IonicContact OE2-CG 3.99Å; E282-H300 IonicContact OE2-ND1 3.88Å; E282-H300 PolarHBondContact OE2-ND1 3.38Å; C283-H300 PolarHBondContact SG-NE2 2.77Å; C283-H300 VanDerWaalsContact SG-NE2 3.39Å; H296-H300 AromaticContact CE1-NE2 3.86Å; H296-H300 AromaticContact NE2-CD2 3.94Å; H296-H300 AromaticContact NE2-NE2 3.46Å; H296-H300 PolarHBondContact NE2-NE2 3.16Å; Q297-H300 WeakPolarHBondContact O-CB 3.39Å; Q297-H300 PolarHBondContact O-N 3.1Å; L298-H300 VanDerWaalsContact C-N 3.32Å; H300-G302 PolarHBondContact O-N 3.44Å |
| 301 | T | 89.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 78.9 Ų | 78.9 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.6 | -17.8 | 178.7 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | Q297 E303 | Q297-T301 PolarHBondContact O-N 2.8Å; Q297-T301 PolarHBondContact O-OG1 3.47Å; T301-E303 PolarHBondContact O-N 3.45Å; T301-E303 VanDerWaalsContact O-N 3.17Å; T301-E303 WeakPolarHBondContact OG1-CB 3.36Å; T301-E303 WeakPolarHBondContact OG1-CG 3.41Å; T301-E303 PolarHBondContact OG1-N 2.89Å |
| 302 | G | 88.9 | Confident | 90.7 | Very high | 45 Ų | 45 | 80 Ų | 80 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | trans | 64.8 | 12.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L298 H300 K304 | L298-G302 WeakPolarHBondContact O-CA 3.48Å; L298-G302 PolarHBondContact O-N 3.4Å; H300-G302 PolarHBondContact O-N 3.44Å; G302-K304 PolarHBondContact O-N 3.22Å | ||
| 303 | E | 89.6 | Confident | 90.9 | Very high | 117 Ų | 117 | 77.5 Ų | 77.5 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | trans | -65.1 | 128.4 | -179.6 | -77.5 | -174.7 | 178.4 | 0 | 0 | 110.4 | L298 T301 P305 | L298-E303 HydrophobicContact CD2-CB 3.86Å; L298-E303 PolarHBondContact O-N 3.27Å; T301-E303 PolarHBondContact O-N 3.45Å; T301-E303 VanDerWaalsContact O-N 3.17Å; T301-E303 WeakPolarHBondContact OG1-CB 3.36Å; T301-E303 WeakPolarHBondContact OG1-CG 3.41Å; T301-E303 PolarHBondContact OG1-N 2.89Å; E303-P305 WeakPolarHBondContact O-CD 3.48Å | ||
| 304 | K | 91.8 | Very high | 90.9 | Very high | 106 Ų | 106 | 78.5 Ų | 78.5 | 46% | 0.461 | 43% | 0.433 | S | S | . | . | trans | -123.6 | 80.1 | 177.4 | -64.8 | -175.6 | -173.3 | -173.8 | 0 | 109.1 | G302 F306 R316 F317 | G302-K304 PolarHBondContact O-N 3.22Å; K304-F306 PolarHBondContact O-N 3.42Å; K304-R316 HydrophobicContact CB-CB 3.52Å; K304-R316 HydrophobicContact CD-CB 4.43Å; K304-R316 WeakPolarHBondContact CD-O 3.29Å; K304-R316 PolarHBondContact O-NE 3.29Å; K304-R316 PolarHBondContact O-NH2 2.9Å; K304-R316 VanDerWaalsContact O-NH2 3.16Å; K304-F317 CarbonylContact C-O 3.54Å; K304-F317 VanDerWaalsContact C-O 3.23Å; K304-F317 VanDerWaalsContact CA-O 3.27Å; K304-F317 WeakPolarHBondContact CA-O 3.47Å | ||
| 305 | P | 89 | Confident | 91 | Very high | 67 Ų | 67 | 77.2 Ų | 77.2 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | trans | -63.7 | -30.2 | -173.4 | -22.3 | 34.3 | 0 | 0 | 0 | 112.6 | E303 | E303-P305 WeakPolarHBondContact O-CD 3.48Š| ||
| 306 | F | 92.6 | Very high | 91.2 | Very high | 74 Ų | 74 | 79.7 Ų | 79.7 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 113.3 | -170 | -56 | -80.1 | 0 | 0 | 0 | 111 | K304 R316 F317 S318 L319 D320 L323 | K304-F306 PolarHBondContact O-N 3.42Å; F306-R316 CarbonylContact O-C 3.27Å; F306-R316 VanDerWaalsContact O-CA 3.25Å; F306-R316 WeakPolarHBondContact O-CA 2.96Å; F306-F317 HydrophobicContact CB-CB 4.43Å; F306-F317 PolarHBondContact N-O 2.92Å; F306-F317 PolarHBondContact O-N 2.8Å; F306-S318 WeakPolarHBondContact CD2-O 3.39Å; F306-S318 VanDerWaalsContact CE2-O 3.24Å; F306-S318 WeakPolarHBondContact CE2-O 3.37Å; F306-L319 VanDerWaalsContact CD2-C 3.42Å; F306-D320 HydrophobicContact CD1-CB 3.92Å; F306-D320 HydrophobicContact CE1-CB 3.71Å; F306-D320 HydrophobicContact CE2-CB 4.39Å; F306-D320 HydrophobicContact CG-CB 4.35Å; F306-D320 HydrophobicContact CZ-CB 3.96Å; F306-L323 HydrophobicContact CB-CB 4.14Å; F306-L323 HydrophobicContact CB-CD2 3.88Å |
| 307 | Q | 93.9 | Very high | 91.2 | Very high | 97 Ų | 97 | 80.6 Ų | 80.6 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.2 | -179.8 | -175.6 | 172.8 | -0.8 | 0 | 0 | 111.9 | T309 R316 | Q307-T309 PolarHBondContact O-N 2.98Å; Q307-R316 HydrophobicContact CB-CG 4.15Å; Q307-R316 HydrophobicContact CG-CG 4.06Å |
| 308 | C | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.027 | 43% | 0.431 | C | S | . | . | trans | -70.7 | 121.3 | 170.4 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | F310 C313 K315 L323 | C308-F310 VanDerWaalsContact C-N 3.28Å; C308-C313 HydrophobicContact CB-CB 4.37Å; C308-K315 HydrophobicContact CB-CB 4.49Å; C308-K315 WeakPolarHBondContact CB-O 3.45Å; C308-K315 PolarHBondContact N-O 3.04Å; C308-L323 HydrophobicContact CB-CD1 3.85Å | ||
| 309 | T | 94.1 | Very high | 91.1 | Very high | 131 Ų | 131 | 77.6 Ų | 77.6 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | trans | -85.1 | 1.9 | 179 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | Q307 E311 | Q307-T309 PolarHBondContact O-N 2.98Å; T309-E311 PolarHBondContact O-N 3.5Å | ||
| 310 | F | 92.6 | Very high | 91.1 | Very high | 107 Ų | 107 | 76.9 Ų | 76.9 | 47% | 0.469 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -71 | 129.1 | 176.8 | -162 | -94 | 0 | 0 | 0 | 110.1 | C308 G312 C313 H330 | C308-F310 VanDerWaalsContact C-N 3.28Å; F310-G312 PolarHBondContact O-N 3.44Å; F310-C313 HydrophobicContact CB-CB 4.17Å; F310-C313 WeakPolarHBondContact O-CB 3.28Å; F310-C313 PolarHBondContact O-N 3.23Å; F310-H330 HydrophobicContact CD1-CB 4.24Å; F310-H330 AromaticContact CD1-CE1 3.82Å; F310-H330 AromaticContact CD1-CG 3.76Å; F310-H330 AromaticContact CD1-ND1 3.42Å; F310-H330 WeakPolarHBondContact CD1-ND1 3.43Å; F310-H330 HydrophobicContact CD2-CB 3.67Å; F310-H330 AromaticContact CD2-CG 3.95Å; F310-H330 HydrophobicContact CE1-CB 4.36Å; F310-H330 AromaticContact CE1-ND1 3.75Å; F310-H330 HydrophobicContact CE2-CB 3.82Å; F310-H330 HydrophobicContact CG-CB 3.89Å; F310-H330 AromaticContact CG-CD2 3.96Å; F310-H330 AromaticContact CG-CG 3.61Å; F310-H330 AromaticContact CG-ND1 3.78Å; F310-H330 HydrophobicContact CZ-CB 4.16Å |
| 311 | E | 92.3 | Very high | 91 | Very high | 173 Ų | 173 | 78.3 Ų | 78.3 | 81% | 0.808 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 124.7 | -178.1 | -66 | -59.6 | 141.4 | 0 | 0 | 111.2 | T309 C313 | T309-E311 PolarHBondContact O-N 3.5Å; E311-C313 VanDerWaalsContact C-N 3.33Å; E311-C313 PolarHBondContact O-N 2.77Å |
| 312 | G | 90.7 | Very high | 91 | Very high | 88 Ų | 88 | 76.9 Ų | 76.9 | 91% | 0.907 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | F310 | F310-G312 PolarHBondContact O-N 3.44Š|
| 313 | C | 93.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 75.9 Ų | 75.9 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -56.1 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | C308 F310 E311 K315 H326 H330 | C308-C313 HydrophobicContact CB-CB 4.37Å; F310-C313 HydrophobicContact CB-CB 4.17Å; F310-C313 WeakPolarHBondContact O-CB 3.28Å; F310-C313 PolarHBondContact O-N 3.23Å; E311-C313 VanDerWaalsContact C-N 3.33Å; E311-C313 PolarHBondContact O-N 2.77Å; C313-K315 PolarHBondContact O-N 3.16Å; C313-H326 PolarHBondContact SG-NE2 3.3Å; C313-H330 PolarHBondContact SG-NE2 3.01Å |
| 314 | G | 89.6 | Confident | 91.1 | Very high | 43 Ų | 43 | 78 Ų | 78 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | trans | 60.7 | 1.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 315 | K | 92.3 | Very high | 91 | Very high | 118 Ų | 118 | 74.1 Ų | 74.1 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | trans | -65.3 | 141.8 | -176.9 | -73 | 179.3 | 176.7 | -178.1 | 0 | 111.3 | C308 C313 F317 | C308-K315 HydrophobicContact CB-CB 4.49Å; C308-K315 WeakPolarHBondContact CB-O 3.45Å; C308-K315 PolarHBondContact N-O 3.04Å; C313-K315 PolarHBondContact O-N 3.16Å; K315-F317 HydrophobicContact CB-CE2 3.93Å; K315-F317 HydrophobicContact CB-CZ 4.05Å | ||
| 316 | R | 92.3 | Very high | 91.1 | Very high | 129 Ų | 129 | 71.8 Ų | 71.8 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.4 | 178.9 | -54 | -176.3 | 70.8 | 128.8 | 1.3 | 110.8 | K304 F306 Q307 | K304-R316 HydrophobicContact CB-CB 3.52Å; K304-R316 HydrophobicContact CD-CB 4.43Å; K304-R316 WeakPolarHBondContact CD-O 3.29Å; K304-R316 PolarHBondContact O-NE 3.29Å; K304-R316 PolarHBondContact O-NH2 2.9Å; K304-R316 VanDerWaalsContact O-NH2 3.16Å; F306-R316 CarbonylContact O-C 3.27Å; F306-R316 VanDerWaalsContact O-CA 3.25Å; F306-R316 WeakPolarHBondContact O-CA 2.96Å; Q307-R316 HydrophobicContact CB-CG 4.15Å; Q307-R316 HydrophobicContact CG-CG 4.06Å |
| 317 | F | 91.1 | Very high | 91.1 | Very high | 41 Ų | 41 | 70.6 Ų | 70.6 | 18% | 0.18 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146 | -178 | -58.6 | -86.9 | 0 | 0 | 0 | 109.7 | K304 F306 K315 L319 N322 L323 H326 | K304-F317 CarbonylContact C-O 3.54Å; K304-F317 VanDerWaalsContact C-O 3.23Å; K304-F317 VanDerWaalsContact CA-O 3.27Å; K304-F317 WeakPolarHBondContact CA-O 3.47Å; F306-F317 HydrophobicContact CB-CB 4.43Å; F306-F317 PolarHBondContact N-O 2.92Å; F306-F317 PolarHBondContact O-N 2.8Å; K315-F317 HydrophobicContact CB-CE2 3.93Å; K315-F317 HydrophobicContact CB-CZ 4.05Å; F317-L319 VanDerWaalsContact C-N 3.28Å; F317-N322 HydrophobicContact CB-CB 4.23Å; F317-N322 HydrophobicContact CD1-CB 4.02Å; F317-N322 HydrophobicContact CG-CB 4.38Å; F317-L323 HydrophobicContact CB-CB 4.26Å; F317-L323 HydrophobicContact CD2-CB 3.81Å; F317-L323 HydrophobicContact CD2-CD1 3.72Å; F317-L323 HydrophobicContact CD2-CG 4.37Å; F317-L323 HydrophobicContact CE2-CD1 3.89Å; F317-L323 HydrophobicContact CG-CB 4.19Å; F317-H326 HydrophobicContact CE1-CB 3.87Å; F317-H326 HydrophobicContact CE2-CB 3.89Å; F317-H326 AromaticContact CE2-CD2 3.41Å; F317-H326 VanDerWaalsContact CE2-CD2 3.41Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.46Å; F317-H326 AromaticContact CE2-CG 3.65Å; F317-H326 HydrophobicContact CZ-CB 3.4Å; F317-H326 VanDerWaalsContact CZ-CB 3.4Å; F317-H326 AromaticContact CZ-CD2 3.37Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.46Å; F317-H326 AromaticContact CZ-CG 3.15Å; F317-H326 AromaticContact CZ-ND1 3.66Å; F317-H326 AromaticContact CZ-NE2 3.95Å |
| 318 | S | 88.2 | Confident | 91 | Very high | 23 Ų | 23 | 68.7 Ų | 68.7 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -69.5 | -28.5 | 173.7 | 47 | 0 | 0 | 0 | 0 | 111.7 | L298 F306 | L298-S318 WeakPolarHBondContact CD1-O 3.41Å; F306-S318 WeakPolarHBondContact CD2-O 3.39Å; F306-S318 VanDerWaalsContact CE2-O 3.24Å; F306-S318 WeakPolarHBondContact CE2-O 3.37Å |
| 319 | L | 88.9 | Confident | 90.8 | Very high | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -127.6 | 140.2 | -173.4 | -52.5 | 178 | 0 | 0 | 0 | 112.6 | R295 L298 F306 F317 F321 N322 L323 | R295-L319 VanDerWaalsContact CD-CD2 3.44Å; R295-L319 HydrophobicContact CG-CD1 4.34Å; R295-L319 HydrophobicContact CG-CD2 3.29Å; R295-L319 HydrophobicContact CG-CG 4.45Å; L298-L319 HydrophobicContact CD1-CD2 4.17Å; F306-L319 VanDerWaalsContact CD2-C 3.42Å; F317-L319 VanDerWaalsContact C-N 3.28Å; L319-F321 HydrophobicContact CB-CD1 3.9Å; L319-F321 HydrophobicContact CB-CE1 3.86Å; L319-F321 HydrophobicContact CD1-CD1 4.27Å; L319-F321 HydrophobicContact CD1-CE1 3.4Å; L319-F321 HydrophobicContact CD1-CZ 3.96Å; L319-F321 HydrophobicContact CG-CE1 4.22Å; L319-F321 PolarHBondContact O-N 2.85Å; L319-N322 HydrophobicContact CB-CB 4.33Å; L319-N322 WeakPolarHBondContact O-CB 3.47Å; L319-N322 PolarHBondContact O-N 3.48Å; L319-L323 PolarHBondContact O-N 2.79Å |
| 320 | D | 89.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 178.7 | 178.5 | 60.4 | 0 | 0 | 0 | 112.7 | F306 N322 L323 R324 | F306-D320 HydrophobicContact CD1-CB 3.92Å; F306-D320 HydrophobicContact CE1-CB 3.71Å; F306-D320 HydrophobicContact CE2-CB 4.39Å; F306-D320 HydrophobicContact CG-CB 4.35Å; F306-D320 HydrophobicContact CZ-CB 3.96Å; D320-N322 VanDerWaalsContact C-N 3.27Å; D320-N322 PolarHBondContact O-N 3.12Å; D320-L323 WeakPolarHBondContact O-CB 3.36Å; D320-L323 PolarHBondContact O-N 3.32Å; D320-L323 VanDerWaalsContact O-N 3.15Å; D320-R324 WeakPolarHBondContact O-CG 3.34Å; D320-R324 PolarHBondContact O-N 2.8Å; D320-R324 IonicContact OD1-NE 2.78Å; D320-R324 IonicContact OD2-CZ 2.77Å; D320-R324 IonicContact OD2-NE 3.97Å; D320-R324 PolarHBondContact OD2-NE 3.24Å; D320-R324 IonicContact OD2-NH2 3.96Å; D320-R324 PolarHBondContact OD2-NH2 2.81Å |
| 321 | F | 87 | Confident | 90.6 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | -179.5 | 82.5 | -97.1 | 0 | 0 | 0 | 112.5 | L319 R324 T325 | L319-F321 HydrophobicContact CB-CD1 3.9Å; L319-F321 HydrophobicContact CB-CE1 3.86Å; L319-F321 HydrophobicContact CD1-CD1 4.27Å; L319-F321 HydrophobicContact CD1-CE1 3.4Å; L319-F321 HydrophobicContact CD1-CZ 3.96Å; L319-F321 HydrophobicContact CG-CE1 4.22Å; L319-F321 PolarHBondContact O-N 2.85Å; F321-R324 PolarHBondContact O-N 3.44Å; F321-T325 WeakPolarHBondContact O-CB 3.14Å; F321-T325 PolarHBondContact O-N 3.32Å; F321-T325 PolarHBondContact O-OG1 3.5Å |
| 322 | N | 88.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 64.2 Ų | 64.2 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 173.8 | -77.5 | -16.3 | 0 | 0 | 0 | 110.2 | F317 L319 D320 T325 H326 | F317-N322 HydrophobicContact CB-CB 4.23Å; F317-N322 HydrophobicContact CD1-CB 4.02Å; F317-N322 HydrophobicContact CG-CB 4.38Å; L319-N322 HydrophobicContact CB-CB 4.33Å; L319-N322 WeakPolarHBondContact O-CB 3.47Å; L319-N322 PolarHBondContact O-N 3.48Å; D320-N322 VanDerWaalsContact C-N 3.27Å; D320-N322 PolarHBondContact O-N 3.12Å; N322-T325 PolarHBondContact O-N 2.85Å; N322-H326 WeakPolarHBondContact O-CB 3.36Å; N322-H326 PolarHBondContact O-N 2.81Å |
| 323 | L | 92.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 172.1 | 171.7 | 61.8 | 0 | 0 | 0 | 111.5 | F306 C308 F317 L319 D320 T325 H326 V327 | F306-L323 HydrophobicContact CB-CB 4.14Å; F306-L323 HydrophobicContact CB-CD2 3.88Å; C308-L323 HydrophobicContact CB-CD1 3.85Å; F317-L323 HydrophobicContact CB-CB 4.26Å; F317-L323 HydrophobicContact CD2-CB 3.81Å; F317-L323 HydrophobicContact CD2-CD1 3.72Å; F317-L323 HydrophobicContact CD2-CG 4.37Å; F317-L323 HydrophobicContact CE2-CD1 3.89Å; F317-L323 HydrophobicContact CG-CB 4.19Å; L319-L323 PolarHBondContact O-N 2.79Å; D320-L323 WeakPolarHBondContact O-CB 3.36Å; D320-L323 PolarHBondContact O-N 3.32Å; D320-L323 VanDerWaalsContact O-N 3.15Å; L323-T325 VanDerWaalsContact C-N 3.26Å; L323-T325 PolarHBondContact O-N 2.8Å; L323-H326 WeakPolarHBondContact O-CB 3.46Å; L323-H326 PolarHBondContact O-N 3.38Å; L323-H326 VanDerWaalsContact O-N 3.11Å; L323-V327 HydrophobicContact CD1-CG2 3.94Å; L323-V327 HydrophobicContact CG-CG2 4.39Å; L323-V327 WeakPolarHBondContact O-CG2 3.46Å; L323-V327 PolarHBondContact O-N 3.05Å |
| 324 | R | 89.9 | Confident | 90.6 | Very high | 163 Ų | 163 | 69 Ų | 69 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.8 | -40.9 | 178.9 | -68.5 | -177.1 | -163.4 | -164.7 | 4.3 | 112.2 | D320 F321 V327 | D320-R324 WeakPolarHBondContact O-CG 3.34Å; D320-R324 PolarHBondContact O-N 2.8Å; D320-R324 IonicContact OD1-NE 2.78Å; D320-R324 IonicContact OD2-CZ 2.77Å; D320-R324 IonicContact OD2-NE 3.97Å; D320-R324 PolarHBondContact OD2-NE 3.24Å; D320-R324 IonicContact OD2-NH2 3.96Å; D320-R324 PolarHBondContact OD2-NH2 2.81Å; F321-R324 PolarHBondContact O-N 3.44Å; R324-V327 PolarHBondContact O-N 3.48Å |
| 325 | T | 89.4 | Confident | 90.6 | Very high | 24 Ų | 24 | 70 Ų | 70 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | F321 N322 L323 R328 Q349 | F321-T325 WeakPolarHBondContact O-CB 3.14Å; F321-T325 PolarHBondContact O-N 3.32Å; F321-T325 PolarHBondContact O-OG1 3.5Å; N322-T325 PolarHBondContact O-N 2.85Å; L323-T325 VanDerWaalsContact C-N 3.26Å; L323-T325 PolarHBondContact O-N 2.8Å; T325-R328 WeakPolarHBondContact O-CB 2.97Å; T325-R328 PolarHBondContact O-N 3.27Å; T325-Q349 HydrophobicContact CG2-CG 3.36Å; T325-Q349 VanDerWaalsContact CG2-NE2 3.33Å |
| 326 | H | 91.6 | Very high | 90.6 | Very high | 17 Ų | 17 | 68 Ų | 68 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 174.7 | 171 | 69.2 | 0 | 0 | 0 | 112.7 | C313 F317 N322 L323 R328 I329 H330 | C313-H326 PolarHBondContact SG-NE2 3.3Å; F317-H326 HydrophobicContact CE1-CB 3.87Å; F317-H326 HydrophobicContact CE2-CB 3.89Å; F317-H326 AromaticContact CE2-CD2 3.41Å; F317-H326 VanDerWaalsContact CE2-CD2 3.41Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.46Å; F317-H326 AromaticContact CE2-CG 3.65Å; F317-H326 HydrophobicContact CZ-CB 3.4Å; F317-H326 VanDerWaalsContact CZ-CB 3.4Å; F317-H326 AromaticContact CZ-CD2 3.37Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.46Å; F317-H326 AromaticContact CZ-CG 3.15Å; F317-H326 AromaticContact CZ-ND1 3.66Å; F317-H326 AromaticContact CZ-NE2 3.95Å; N322-H326 WeakPolarHBondContact O-CB 3.36Å; N322-H326 PolarHBondContact O-N 2.81Å; L323-H326 WeakPolarHBondContact O-CB 3.46Å; L323-H326 PolarHBondContact O-N 3.38Å; L323-H326 VanDerWaalsContact O-N 3.11Å; H326-R328 PolarHBondContact O-N 3Å; H326-R328 VanDerWaalsContact O-N 3.1Å; H326-I329 VanDerWaalsContact O-CB 3.23Å; H326-I329 WeakPolarHBondContact O-CB 3.46Å; H326-I329 WeakPolarHBondContact O-CG1 3.17Å; H326-I329 PolarHBondContact O-N 3.07Å; H326-H330 AromaticContact CE1-NE2 3.83Å; H326-H330 AromaticContact NE2-CD2 3.91Å; H326-H330 AromaticContact NE2-NE2 3.27Å; H326-H330 PolarHBondContact NE2-NE2 3.48Å |
| 327 | V | 91 | Very high | 90.7 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.6 | -28 | 179.1 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | L323 R324 I329 H330 T331 | L323-V327 HydrophobicContact CD1-CG2 3.94Å; L323-V327 HydrophobicContact CG-CG2 4.39Å; L323-V327 WeakPolarHBondContact O-CG2 3.46Å; L323-V327 PolarHBondContact O-N 3.05Å; R324-V327 PolarHBondContact O-N 3.48Å; V327-I329 PolarHBondContact O-N 3.14Å; V327-I329 VanDerWaalsContact O-N 3.15Å; V327-H330 WeakPolarHBondContact O-CB 3.43Å; V327-H330 PolarHBondContact O-N 3.31Å; V327-T331 HydrophobicContact CG1-CG2 4.16Å; V327-T331 PolarHBondContact O-N 3.27Å; V327-T331 VanDerWaalsContact O-N 3.11Å; V327-T331 PolarHBondContact O-OG1 3.34Å |
| 328 | R | 92.2 | Very high | 90.9 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.5 | -24.9 | 174 | -61.6 | -177.6 | -173.5 | 150.2 | 4.1 | 113.6 | T325 H326 H330 T331 G332 D333 A348 | T325-R328 WeakPolarHBondContact O-CB 2.97Å; T325-R328 PolarHBondContact O-N 3.27Å; H326-R328 PolarHBondContact O-N 3Å; H326-R328 VanDerWaalsContact O-N 3.1Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-T331 WeakPolarHBondContact CA-OG1 3.38Å; R328-T331 PolarHBondContact O-OG1 2.82Å; R328-G332 CarbonylContact O-C 3.56Å; R328-G332 WeakPolarHBondContact O-CA 3.1Å; R328-G332 PolarHBondContact O-N 2.82Å; R328-D333 HydrophobicContact CB-CB 4.28Å; R328-D333 HydrophobicContact CG-CB 4.29Å; R328-D333 PolarHBondContact O-N 2.73Å; R328-D333 VanDerWaalsContact O-N 3.1Å; R328-A348 HydrophobicContact CB-CB 4.2Å; R328-A348 WeakPolarHBondContact CD-O 3.5Å; R328-A348 PolarHBondContact NH1-O 2.88Å |
| 329 | I | 90.3 | Very high | 91 | Very high | 117 Ų | 117 | 67.3 Ų | 67.3 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.5 | -38.1 | 175.4 | -58 | 173.9 | 0 | 0 | 0 | 110.3 | H326 V327 | H326-I329 VanDerWaalsContact O-CB 3.23Å; H326-I329 WeakPolarHBondContact O-CB 3.46Å; H326-I329 WeakPolarHBondContact O-CG1 3.17Å; H326-I329 PolarHBondContact O-N 3.07Å; V327-I329 PolarHBondContact O-N 3.14Å; V327-I329 VanDerWaalsContact O-N 3.15Å |
| 330 | H | 91.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 69 Ų | 69 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -75.6 | -42.3 | 178.4 | -65.1 | -60.6 | 0 | 0 | 0 | 112.4 | F310 C313 H326 V327 R328 G332 | F310-H330 HydrophobicContact CD1-CB 4.24Å; F310-H330 AromaticContact CD1-CE1 3.82Å; F310-H330 AromaticContact CD1-CG 3.76Å; F310-H330 AromaticContact CD1-ND1 3.42Å; F310-H330 WeakPolarHBondContact CD1-ND1 3.43Å; F310-H330 HydrophobicContact CD2-CB 3.67Å; F310-H330 AromaticContact CD2-CG 3.95Å; F310-H330 HydrophobicContact CE1-CB 4.36Å; F310-H330 AromaticContact CE1-ND1 3.75Å; F310-H330 HydrophobicContact CE2-CB 3.82Å; F310-H330 HydrophobicContact CG-CB 3.89Å; F310-H330 AromaticContact CG-CD2 3.96Å; F310-H330 AromaticContact CG-CG 3.61Å; F310-H330 AromaticContact CG-ND1 3.78Å; F310-H330 HydrophobicContact CZ-CB 4.16Å; C313-H330 PolarHBondContact SG-NE2 3.01Å; H326-H330 AromaticContact CE1-NE2 3.83Å; H326-H330 AromaticContact NE2-CD2 3.91Å; H326-H330 AromaticContact NE2-NE2 3.27Å; H326-H330 PolarHBondContact NE2-NE2 3.48Å; V327-H330 WeakPolarHBondContact O-CB 3.43Å; V327-H330 PolarHBondContact O-N 3.31Å; R328-H330 VanDerWaalsContact C-N 3.33Å; H330-G332 PolarHBondContact O-N 3.24Å |
| 331 | T | 91.1 | Very high | 91.2 | Very high | 94 Ų | 94 | 74.7 Ų | 74.7 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.7 | -13.9 | 179.6 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | V327 R328 D333 | V327-T331 HydrophobicContact CG1-CG2 4.16Å; V327-T331 PolarHBondContact O-N 3.27Å; V327-T331 VanDerWaalsContact O-N 3.11Å; V327-T331 PolarHBondContact O-OG1 3.34Å; R328-T331 WeakPolarHBondContact CA-OG1 3.38Å; R328-T331 PolarHBondContact O-OG1 2.82Å; T331-D333 PolarHBondContact O-N 2.92Å; T331-D333 WeakPolarHBondContact OG1-CB 3.47Å; T331-D333 PolarHBondContact OG1-N 3.12Å |
| 332 | G | 90.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 73.6 Ų | 73.6 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 13.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R328 H330 R334 | R328-G332 CarbonylContact O-C 3.56Å; R328-G332 WeakPolarHBondContact O-CA 3.1Å; R328-G332 PolarHBondContact O-N 2.82Å; H330-G332 PolarHBondContact O-N 3.24Å; G332-R334 PolarHBondContact O-N 3.14Å |
| 333 | D | 93.2 | Very high | 91.3 | Very high | 77 Ų | 77 | 72 Ų | 72 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | -68.3 | 127 | -179 | -177.1 | 27.4 | 0 | 0 | 0 | 111.1 | R328 T331 | R328-D333 HydrophobicContact CB-CB 4.28Å; R328-D333 HydrophobicContact CG-CB 4.29Å; R328-D333 PolarHBondContact O-N 2.73Å; R328-D333 VanDerWaalsContact O-N 3.1Å; T331-D333 PolarHBondContact O-N 2.92Å; T331-D333 WeakPolarHBondContact OG1-CB 3.47Å; T331-D333 PolarHBondContact OG1-N 3.12Å | ||
| 334 | R | 92.1 | Very high | 91.3 | Very high | 142 Ų | 142 | 77.9 Ų | 77.9 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | trans | -134.6 | 73.4 | -176.9 | -66 | 177.8 | 116.7 | 174.5 | 0.8 | 109.2 | G332 Y336 K346 F347 | G332-R334 PolarHBondContact O-N 3.14Å; R334-Y336 PolarHBondContact O-N 3.32Å; R334-K346 HydrophobicContact CB-CB 3.79Å; R334-K346 VanDerWaalsContact CZ-O 3.28Å; R334-K346 PolarHBondContact NE-O 3.15Å; R334-K346 VanDerWaalsContact NE-O 3.15Å; R334-F347 CarbonylContact C-O 3.45Å; R334-F347 VanDerWaalsContact C-O 3.27Å; R334-F347 VanDerWaalsContact CA-O 3.25Å; R334-F347 WeakPolarHBondContact CA-O 3.39Å | ||
| 335 | P | 90 | Very high | 91.4 | Very high | 63 Ų | 63 | 76 Ų | 76 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | trans | -70.9 | -19.9 | -172.4 | 27.7 | -34.1 | 0 | 0 | 0 | 112.7 | V337 | P335-V337 PolarHBondContact O-N 2.96Š| ||
| 336 | Y | 92.5 | Very high | 91.6 | Very high | 75 Ų | 75 | 80.1 Ų | 80.1 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 100.8 | -175.5 | -57.2 | -71.8 | 0 | 0 | 0 | 110.9 | R334 K346 F347 A348 L353 | R334-Y336 PolarHBondContact O-N 3.32Å; Y336-K346 CarbonylContact O-C 3.26Å; Y336-K346 WeakPolarHBondContact O-CA 3.39Å; Y336-F347 WeakPolarHBondContact CB-O 3.43Å; Y336-F347 PolarHBondContact N-O 3.48Å; Y336-F347 VanDerWaalsContact N-O 3.15Å; Y336-F347 PolarHBondContact O-N 3Å; Y336-A348 WeakPolarHBondContact CE2-O 3.12Å; Y336-L353 HydrophobicContact CD1-CD2 4.5Å |
| 337 | V | 93.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 81 Ų | 81 | 44% | 0.442 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.4 | 179 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | P335 K346 | P335-V337 PolarHBondContact O-N 2.96Å; V337-K346 HydrophobicContact CG1-CG 4.3Å; V337-K346 HydrophobicContact CG2-CD 4.11Å; V337-K346 HydrophobicContact CG2-CG 4.03Å |
| 338 | C | 94.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 79.7 Ų | 79.7 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | trans | -59 | 128.5 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | F340 C343 K345 L353 | C338-F340 VanDerWaalsContact C-N 3.34Å; C338-C343 HydrophobicContact CB-CB 4.25Å; C338-C343 VanDerWaalsContact SG-CB 3.6Å; C338-K345 WeakPolarHBondContact CB-O 2.91Å; C338-K345 PolarHBondContact N-O 2.82Å; C338-L353 HydrophobicContact CB-CD1 4.34Å | ||
| 339 | P | 92.1 | Very high | 91.3 | Very high | 98 Ų | 98 | 80.4 Ų | 80.4 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | trans | -81.3 | -10.8 | -179.1 | 32.5 | -36.2 | 0 | 0 | 0 | 113.8 | I357 | P339-I357 HydrophobicContact CG-CD1 3.89Å; P339-I357 HydrophobicContact CG-CG1 4.29Å | ||
| 340 | F | 91.5 | Very high | 91.2 | Very high | 61 Ų | 61 | 76.9 Ų | 76.9 | 27% | 0.268 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -74.8 | 129.2 | 179.8 | -69.5 | -87.3 | 0 | 0 | 0 | 111.7 | C338 C343 I357 H360 | C338-F340 VanDerWaalsContact C-N 3.34Å; F340-C343 HydrophobicContact CB-CB 4.27Å; F340-C343 WeakPolarHBondContact O-CB 2.88Å; F340-C343 PolarHBondContact O-N 3.15Å; F340-I357 HydrophobicContact CD2-CG1 4.44Å; F340-I357 HydrophobicContact CE2-CB 4.16Å; F340-I357 HydrophobicContact CE2-CG1 4.02Å; F340-I357 HydrophobicContact CE2-CG2 3.84Å; F340-I357 HydrophobicContact CZ-CG2 4.38Å; F340-H360 HydrophobicContact CD1-CB 4.21Å; F340-H360 HydrophobicContact CD2-CB 3.92Å; F340-H360 AromaticContact CD2-CD2 3.49Å; F340-H360 VanDerWaalsContact CD2-CD2 3.49Å; F340-H360 WeakPolarHBondContact CD2-CD2 3.14Å; F340-H360 AromaticContact CD2-CG 3.72Å; F340-H360 HydrophobicContact CE1-CB 4.03Å; F340-H360 HydrophobicContact CE2-CB 3.72Å; F340-H360 AromaticContact CE2-CD2 3.91Å; F340-H360 HydrophobicContact CG-CB 4.16Å; F340-H360 AromaticContact CG-CG 3.93Å; F340-H360 HydrophobicContact CZ-CB 3.78Å |
| 341 | D | 89.3 | Confident | 91 | Very high | 174 Ų | 174 | 75.7 Ų | 75.7 | 93% | 0.93 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 135.5 | 176.3 | -167.1 | 37.1 | 0 | 0 | 0 | 111.2 | C343 | D341-C343 VanDerWaalsContact C-N 3.3Å; D341-C343 PolarHBondContact O-N 2.97Å |
| 342 | G | 87.8 | Confident | 91 | Very high | 71 Ų | 71 | 74.9 Ų | 74.9 | 73% | 0.732 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -4.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 343 | C | 91.1 | Very high | 91 | Very high | 15 Ų | 15 | 73.5 Ų | 73.5 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | trans | -106.6 | 105.2 | 174.4 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | C338 F340 D341 K345 H356 H360 | C338-C343 HydrophobicContact CB-CB 4.25Å; C338-C343 VanDerWaalsContact SG-CB 3.6Å; F340-C343 HydrophobicContact CB-CB 4.27Å; F340-C343 WeakPolarHBondContact O-CB 2.88Å; F340-C343 PolarHBondContact O-N 3.15Å; D341-C343 VanDerWaalsContact C-N 3.3Å; D341-C343 PolarHBondContact O-N 2.97Å; C343-K345 VanDerWaalsContact C-N 3.31Å; C343-K345 PolarHBondContact O-N 2.85Å; C343-H356 PolarHBondContact SG-NE2 3.09Å; C343-H360 PolarHBondContact SG-NE2 3.13Å; C343-H360 VanDerWaalsContact SG-NE2 3.42Å | ||
| 344 | N | 90.9 | Very high | 90.9 | Very high | 147 Ų | 147 | 75 Ų | 75 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | trans | -90 | 18.1 | -178.7 | -66.8 | -49.3 | 0 | 0 | 0 | 114.5 | ||||
| 345 | K | 93.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 71.8 Ų | 71.8 | 53% | 0.53 | 40% | 0.399 | S | S | . | . | trans | -74.3 | 134.3 | -177.2 | -69.4 | 173.7 | 180 | 178.4 | 0 | 110.9 | C338 C343 F347 H356 | C338-K345 WeakPolarHBondContact CB-O 2.91Å; C338-K345 PolarHBondContact N-O 2.82Å; C343-K345 VanDerWaalsContact C-N 3.31Å; C343-K345 PolarHBondContact O-N 2.85Å; K345-F347 HydrophobicContact CB-CE2 3.86Å; K345-F347 HydrophobicContact CB-CZ 3.94Å; K345-H356 WeakPolarHBondContact CD-CE1 3.46Å | ||
| 346 | K | 93.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 69.5 Ų | 69.5 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.3 | 178.9 | -52.5 | -172.8 | 179.6 | 179.5 | 0 | 110.8 | R334 Y336 V337 | R334-K346 HydrophobicContact CB-CB 3.79Å; R334-K346 VanDerWaalsContact CZ-O 3.28Å; R334-K346 PolarHBondContact NE-O 3.15Å; R334-K346 VanDerWaalsContact NE-O 3.15Å; Y336-K346 CarbonylContact O-C 3.26Å; Y336-K346 WeakPolarHBondContact O-CA 3.39Å; V337-K346 HydrophobicContact CG1-CG 4.3Å; V337-K346 HydrophobicContact CG2-CD 4.11Å; V337-K346 HydrophobicContact CG2-CG 4.03Å |
| 347 | F | 91.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.1 | -174 | -56.4 | -89.1 | 0 | 0 | 0 | 111.2 | R334 Y336 K345 N352 L353 H356 | R334-F347 CarbonylContact C-O 3.45Å; R334-F347 VanDerWaalsContact C-O 3.27Å; R334-F347 VanDerWaalsContact CA-O 3.25Å; R334-F347 WeakPolarHBondContact CA-O 3.39Å; Y336-F347 WeakPolarHBondContact CB-O 3.43Å; Y336-F347 PolarHBondContact N-O 3.48Å; Y336-F347 VanDerWaalsContact N-O 3.15Å; Y336-F347 PolarHBondContact O-N 3Å; K345-F347 HydrophobicContact CB-CE2 3.86Å; K345-F347 HydrophobicContact CB-CZ 3.94Å; F347-N352 HydrophobicContact CB-CB 4.23Å; F347-N352 HydrophobicContact CD1-CB 3.81Å; F347-N352 HydrophobicContact CG-CB 4.27Å; F347-L353 HydrophobicContact CB-CB 4.35Å; F347-L353 HydrophobicContact CD2-CB 3.93Å; F347-L353 HydrophobicContact CD2-CD1 3.89Å; F347-L353 HydrophobicContact CE2-CD1 4.1Å; F347-L353 HydrophobicContact CG-CB 4.31Å; F347-H356 HydrophobicContact CE1-CB 4.05Å; F347-H356 HydrophobicContact CE2-CB 3.78Å; F347-H356 AromaticContact CE2-CD2 3.42Å; F347-H356 VanDerWaalsContact CE2-CD2 3.42Å; F347-H356 WeakPolarHBondContact CE2-CD2 3.27Å; F347-H356 AromaticContact CE2-CG 3.67Å; F347-H356 HydrophobicContact CZ-CB 3.37Å; F347-H356 AromaticContact CZ-CD2 3.56Å; F347-H356 AromaticContact CZ-CG 3.32Å |
| 348 | A | 88.8 | Confident | 90.7 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -81.8 | -17.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R328 Y336 | R328-A348 HydrophobicContact CB-CB 4.2Å; R328-A348 WeakPolarHBondContact CD-O 3.5Å; R328-A348 PolarHBondContact NH1-O 2.88Å; Y336-A348 WeakPolarHBondContact CE2-O 3.12Å |
| 349 | Q | 87.6 | Confident | 90.6 | Very high | 72 Ų | 72 | 72.8 Ų | 72.8 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -129.5 | 147 | -177.6 | -73.8 | 176.4 | -20.8 | 0 | 0 | 111.4 | T325 N352 L353 | T325-Q349 HydrophobicContact CG2-CG 3.36Å; T325-Q349 VanDerWaalsContact CG2-NE2 3.33Å; Q349-N352 HydrophobicContact CB-CB 4.37Å; Q349-N352 PolarHBondContact OE1-ND2 2.84Å; Q349-L353 PolarHBondContact O-N 2.99Å |
| 350 | S | 88 | Confident | 90.4 | Very high | 42 Ų | 42 | 70.1 Ų | 70.1 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.9 | -38.5 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 112 | N352 L353 K354 | S350-N352 VanDerWaalsContact C-N 3.35Å; S350-N352 PolarHBondContact O-N 2.88Å; S350-L353 CarbonylContact O-C 3.48Å; S350-L353 WeakPolarHBondContact O-CA 3.49Å; S350-L353 WeakPolarHBondContact O-CB 3.18Å; S350-L353 PolarHBondContact O-N 3.05Å; S350-L353 VanDerWaalsContact O-N 3.13Å; S350-K354 WeakPolarHBondContact O-CG 3.42Å; S350-K354 PolarHBondContact O-N 3.15Å |
| 351 | T | 88.8 | Confident | 90 | Very high | 32 Ų | 32 | 69.4 Ų | 69.4 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.9 | -47 | 175.5 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | D50 L353 K354 S355 | D50-T351 WeakPolarHBondContact OD2-CG2 2.96Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 3.06Å; T351-K354 WeakPolarHBondContact O-CB 3.39Å; T351-K354 PolarHBondContact O-N 3.24Å; T351-K354 VanDerWaalsContact O-N 3.14Å; T351-S355 PolarHBondContact O-N 2.85Å |
| 352 | N | 89.9 | Confident | 89.4 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.1 | -68.9 | -13 | 0 | 0 | 0 | 112.4 | F347 Q349 S350 H356 | F347-N352 HydrophobicContact CB-CB 4.23Å; F347-N352 HydrophobicContact CD1-CB 3.81Å; F347-N352 HydrophobicContact CG-CB 4.27Å; Q349-N352 HydrophobicContact CB-CB 4.37Å; Q349-N352 PolarHBondContact OE1-ND2 2.84Å; S350-N352 VanDerWaalsContact C-N 3.35Å; S350-N352 PolarHBondContact O-N 2.88Å; N352-H356 VanDerWaalsContact O-CB 3.3Å; N352-H356 WeakPolarHBondContact O-CB 3.48Å; N352-H356 PolarHBondContact O-N 2.98Å |
| 353 | L | 92 | Very high | 88.4 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 172.5 | 171.2 | 64.6 | 0 | 0 | 0 | 111.5 | Y336 C338 F347 Q349 S350 T351 S355 H356 I357 | Y336-L353 HydrophobicContact CD1-CD2 4.5Å; C338-L353 HydrophobicContact CB-CD1 4.34Å; F347-L353 HydrophobicContact CB-CB 4.35Å; F347-L353 HydrophobicContact CD2-CB 3.93Å; F347-L353 HydrophobicContact CD2-CD1 3.89Å; F347-L353 HydrophobicContact CE2-CD1 4.1Å; F347-L353 HydrophobicContact CG-CB 4.31Å; Q349-L353 PolarHBondContact O-N 2.99Å; S350-L353 CarbonylContact O-C 3.48Å; S350-L353 WeakPolarHBondContact O-CA 3.49Å; S350-L353 WeakPolarHBondContact O-CB 3.18Å; S350-L353 PolarHBondContact O-N 3.05Å; S350-L353 VanDerWaalsContact O-N 3.13Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 3.06Å; L353-S355 PolarHBondContact O-N 2.89Å; L353-H356 WeakPolarHBondContact O-CB 3.41Å; L353-H356 PolarHBondContact O-N 3.42Å; L353-I357 HydrophobicContact CD1-CD1 3.83Å; L353-I357 HydrophobicContact CD1-CG1 3.99Å; L353-I357 HydrophobicContact CD2-CD1 4.32Å; L353-I357 HydrophobicContact CG-CD1 3.78Å; L353-I357 HydrophobicContact CG-CG1 4.36Å; L353-I357 WeakPolarHBondContact O-CB 3.41Å; L353-I357 WeakPolarHBondContact O-CG1 3.08Å; L353-I357 PolarHBondContact O-N 3.08Å |
| 354 | K | 90.3 | Very high | 87 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 47% | 0.47 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 178.1 | -69.7 | 174.9 | -171.4 | 171.9 | 0 | 110.6 | D50 S350 T351 H356 I357 L358 | D50-K354 IonicContact OD1-NZ 3.15Å; D50-K354 PolarHBondContact OD1-NZ 2.99Å; D50-K354 IonicContact OD2-NZ 3.8Å; S350-K354 WeakPolarHBondContact O-CG 3.42Å; S350-K354 PolarHBondContact O-N 3.15Å; T351-K354 WeakPolarHBondContact O-CB 3.39Å; T351-K354 PolarHBondContact O-N 3.24Å; T351-K354 VanDerWaalsContact O-N 3.14Å; K354-H356 VanDerWaalsContact C-N 3.32Å; K354-H356 PolarHBondContact O-N 3Å; K354-I357 WeakPolarHBondContact O-CB 3.33Å; K354-I357 PolarHBondContact O-N 3.02Å; K354-I357 VanDerWaalsContact O-N 3.16Å; K354-L358 WeakPolarHBondContact O-CG 3.28Å; K354-L358 PolarHBondContact O-N 3.27Å; K354-L358 VanDerWaalsContact O-N 3.09Å |
| 355 | S | 91 | Very high | 85.4 | Confident | 75 Ų | 75 | 74 Ų | 74 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | T351 L353 I357 L358 T359 | T351-S355 PolarHBondContact O-N 2.85Å; L353-S355 PolarHBondContact O-N 2.89Å; S355-I357 PolarHBondContact O-N 3.22Å; S355-L358 WeakPolarHBondContact O-CB 3.34Å; S355-L358 PolarHBondContact O-N 3.11Å; S355-T359 PolarHBondContact O-N 3.27Å |
| 356 | H | 91.8 | Very high | 83.3 | Confident | 15 Ų | 15 | 75.5 Ų | 75.5 | 7% | 0.069 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 173.9 | 173.4 | 53.6 | 0 | 0 | 0 | 113.1 | C343 K345 F347 N352 L353 K354 L358 T359 H360 | C343-H356 PolarHBondContact SG-NE2 3.09Å; K345-H356 WeakPolarHBondContact CD-CE1 3.46Å; F347-H356 HydrophobicContact CE1-CB 4.05Å; F347-H356 HydrophobicContact CE2-CB 3.78Å; F347-H356 AromaticContact CE2-CD2 3.42Å; F347-H356 VanDerWaalsContact CE2-CD2 3.42Å; F347-H356 WeakPolarHBondContact CE2-CD2 3.27Å; F347-H356 AromaticContact CE2-CG 3.67Å; F347-H356 HydrophobicContact CZ-CB 3.37Å; F347-H356 AromaticContact CZ-CD2 3.56Å; F347-H356 AromaticContact CZ-CG 3.32Å; N352-H356 VanDerWaalsContact O-CB 3.3Å; N352-H356 WeakPolarHBondContact O-CB 3.48Å; N352-H356 PolarHBondContact O-N 2.98Å; L353-H356 WeakPolarHBondContact O-CB 3.41Å; L353-H356 PolarHBondContact O-N 3.42Å; K354-H356 VanDerWaalsContact C-N 3.32Å; K354-H356 PolarHBondContact O-N 3Å; H356-L358 PolarHBondContact O-N 3.11Å; H356-T359 PolarHBondContact ND1-OG1 3.33Å; H356-T359 WeakPolarHBondContact O-CB 3.41Å; H356-T359 PolarHBondContact O-N 2.86Å; H356-T359 PolarHBondContact O-OG1 3.11Å; H356-H360 AromaticContact CD2-NE2 4Å; H356-H360 AromaticContact CE1-CD2 3.75Å; H356-H360 AromaticContact CE1-NE2 3.16Å; H356-H360 PolarHBondContact CE1-NE2 3.14Å; H356-H360 AromaticContact NE2-CD2 3.63Å; H356-H360 AromaticContact NE2-NE2 2.98Å; H356-H360 PolarHBondContact NE2-NE2 3.09Å |
| 357 | I | 90.8 | Very high | 80.9 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.1 | -39.4 | 176 | -78.5 | 168.6 | 0 | 0 | 0 | 110.8 | P339 F340 L353 K354 S355 T359 H360 A361 | P339-I357 HydrophobicContact CG-CD1 3.89Å; P339-I357 HydrophobicContact CG-CG1 4.29Å; F340-I357 HydrophobicContact CD2-CG1 4.44Å; F340-I357 HydrophobicContact CE2-CB 4.16Å; F340-I357 HydrophobicContact CE2-CG1 4.02Å; F340-I357 HydrophobicContact CE2-CG2 3.84Å; F340-I357 HydrophobicContact CZ-CG2 4.38Å; L353-I357 HydrophobicContact CD1-CD1 3.83Å; L353-I357 HydrophobicContact CD1-CG1 3.99Å; L353-I357 HydrophobicContact CD2-CD1 4.32Å; L353-I357 HydrophobicContact CG-CD1 3.78Å; L353-I357 HydrophobicContact CG-CG1 4.36Å; L353-I357 WeakPolarHBondContact O-CB 3.41Å; L353-I357 WeakPolarHBondContact O-CG1 3.08Å; L353-I357 PolarHBondContact O-N 3.08Å; K354-I357 WeakPolarHBondContact O-CB 3.33Å; K354-I357 PolarHBondContact O-N 3.02Å; K354-I357 VanDerWaalsContact O-N 3.16Å; S355-I357 PolarHBondContact O-N 3.22Å; I357-T359 PolarHBondContact O-N 3.41Å; I357-H360 WeakPolarHBondContact O-CB 3.22Å; I357-H360 PolarHBondContact O-N 3.11Å; I357-H360 VanDerWaalsContact O-N 3.09Å; I357-A361 PolarHBondContact O-N 3.15Å |
| 358 | L | 91.2 | Very high | 80.4 | Confident | 103 Ų | 103 | 83.7 Ų | 83.7 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -28 | 176.5 | -65.6 | 173.6 | 0 | 0 | 0 | 112.9 | K354 S355 H356 H360 A361 K362 | K354-L358 WeakPolarHBondContact O-CG 3.28Å; K354-L358 PolarHBondContact O-N 3.27Å; K354-L358 VanDerWaalsContact O-N 3.09Å; S355-L358 WeakPolarHBondContact O-CB 3.34Å; S355-L358 PolarHBondContact O-N 3.11Å; H356-L358 PolarHBondContact O-N 3.11Å; L358-H360 VanDerWaalsContact C-N 3.3Å; L358-H360 PolarHBondContact O-N 2.92Å; L358-A361 PolarHBondContact O-N 2.91Å; L358-K362 WeakPolarHBondContact O-CG 3.37Å; L358-K362 PolarHBondContact O-N 3.24Å |
| 359 | T | 91.7 | Very high | 80 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -33.4 | 175.3 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | S355 H356 I357 A363 | S355-T359 PolarHBondContact O-N 3.27Å; H356-T359 PolarHBondContact ND1-OG1 3.33Å; H356-T359 WeakPolarHBondContact O-CB 3.41Å; H356-T359 PolarHBondContact O-N 2.86Å; H356-T359 PolarHBondContact O-OG1 3.11Å; I357-T359 PolarHBondContact O-N 3.41Å; T359-A363 WeakPolarHBondContact O-CB 3.42Å; T359-A363 PolarHBondContact O-N 3.34Å |
| 360 | H | 87.5 | Confident | 79.6 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 19% | 0.194 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -70 | -38.3 | 174 | -68.8 | -75.3 | 0 | 0 | 0 | 112 | F340 C343 H356 I357 L358 A363 K364 | F340-H360 HydrophobicContact CD1-CB 4.21Å; F340-H360 HydrophobicContact CD2-CB 3.92Å; F340-H360 AromaticContact CD2-CD2 3.49Å; F340-H360 VanDerWaalsContact CD2-CD2 3.49Å; F340-H360 WeakPolarHBondContact CD2-CD2 3.14Å; F340-H360 AromaticContact CD2-CG 3.72Å; F340-H360 HydrophobicContact CE1-CB 4.03Å; F340-H360 HydrophobicContact CE2-CB 3.72Å; F340-H360 AromaticContact CE2-CD2 3.91Å; F340-H360 HydrophobicContact CG-CB 4.16Å; F340-H360 AromaticContact CG-CG 3.93Å; F340-H360 HydrophobicContact CZ-CB 3.78Å; C343-H360 PolarHBondContact SG-NE2 3.13Å; C343-H360 VanDerWaalsContact SG-NE2 3.42Å; H356-H360 AromaticContact CD2-NE2 4Å; H356-H360 AromaticContact CE1-CD2 3.75Å; H356-H360 AromaticContact CE1-NE2 3.16Å; H356-H360 PolarHBondContact CE1-NE2 3.14Å; H356-H360 AromaticContact NE2-CD2 3.63Å; H356-H360 AromaticContact NE2-NE2 2.98Å; H356-H360 PolarHBondContact NE2-NE2 3.09Å; I357-H360 WeakPolarHBondContact O-CB 3.22Å; I357-H360 PolarHBondContact O-N 3.11Å; I357-H360 VanDerWaalsContact O-N 3.09Å; L358-H360 VanDerWaalsContact C-N 3.3Å; L358-H360 PolarHBondContact O-N 2.92Å; H360-A363 PolarHBondContact O-N 3.31Å; H360-K364 WeakPolarHBondContact O-CG 3.39Å; H360-K364 PolarHBondContact O-N 2.99Å; H360-K364 VanDerWaalsContact O-N 3.16Å |
| 361 | A | 83.4 | Confident | 79.1 | Confident | 46 Ų | 46 | 90.5 Ų | 90.5 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I357 L358 K364 N365 | I357-A361 PolarHBondContact O-N 3.15Å; L358-A361 PolarHBondContact O-N 2.91Å; A361-K364 PolarHBondContact O-N 2.94Å; A361-N365 PolarHBondContact O-N 2.9Å |
| 362 | K | 76.4 | Confident | 78.5 | Confident | 154 Ų | 154 | 94.1 Ų | 94.1 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 175.7 | -69.4 | 177.8 | -176.3 | -178.3 | 0 | 112.5 | L358 K364 N365 | L358-K362 WeakPolarHBondContact O-CG 3.37Å; L358-K362 PolarHBondContact O-N 3.24Å; K362-K364 VanDerWaalsContact C-N 3.33Å; K362-K364 PolarHBondContact O-N 2.74Å; K362-N365 PolarHBondContact O-N 3.08Å |
| 363 | A | 67.9 | Low | 77.7 | Confident | 64 Ų | 64 | 95.2 Ų | 95.2 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -32.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | T359 H360 | T359-A363 WeakPolarHBondContact O-CB 3.42Å; T359-A363 PolarHBondContact O-N 3.34Å; H360-A363 PolarHBondContact O-N 3.31Å |
| 364 | K | 60.7 | Low | 76.7 | Confident | 145 Ų | 145 | 100.3 Ų | 100.3 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.8 | -24.8 | 178.1 | -73.4 | -174.4 | 179.4 | -171.7 | 0 | 114.6 | H360 A361 K362 | H360-K364 WeakPolarHBondContact O-CG 3.39Å; H360-K364 PolarHBondContact O-N 2.99Å; H360-K364 VanDerWaalsContact O-N 3.16Å; A361-K364 PolarHBondContact O-N 2.94Å; K362-K364 VanDerWaalsContact C-N 3.33Å; K362-K364 PolarHBondContact O-N 2.74Å |
| 365 | N | 57.3 | Low | 75.6 | Confident | 142 Ų | 142 | 99.7 Ų | 99.7 | 76% | 0.759 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -84.8 | -10.5 | 179.1 | -82.3 | -8.1 | 0 | 0 | 0 | 113.9 | A361 K362 | A361-N365 PolarHBondContact O-N 2.9Å; K362-N365 PolarHBondContact O-N 3.08Å |
| 366 | N | 49.7 | Very low | 74.3 | Confident | 153 Ų | 153 | 101.8 Ų | 101.8 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 18.8 | 179.7 | -85.3 | -4 | 0 | 0 | 0 | 112.8 | ||
| 367 | Q | 43.7 | Very low | 72.7 | Confident | 235 Ų | 235 | 109.6 Ų | 109.6 | 100% | 1.098 | 57% | 0.574 | S | S | * | * | trans | -119.4 | 0 | -178.7 | -170.3 | 150.3 | 21.5 | 0 | 0 | 112.6 |
Retrieved 367 of 367 residues in 475.4 ms
(Link to these results)