| 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 | 39.8 | Very low | 36.9 | Very low | 253 Ų | 253 | 163.2 Ų | 163.2 | 100% | 1.246 | 86% | 0.858 | S | S | * | * | 0 | 133.7 | 0 | -82.2 | -170 | 164.2 | 0 | 0 | 108.7 | |||||
| 2 | A | 30.9 | Very low | 36.9 | Very low | 90 Ų | 90 | 155.5 Ų | 155.5 | 74% | 0.744 | 85% | 0.847 | S | S | * | * | trans | -84.5 | 140.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | V | 28.5 | Very low | 36.9 | Very low | 125 Ų | 125 | 162.2 Ų | 162.2 | 76% | 0.758 | 85% | 0.853 | S | S | * | * | trans | 48.9 | 120.5 | 136.1 | -154.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 4 | T | 35.8 | Very low | 37.2 | Very low | 115 Ų | 115 | 168 Ų | 168 | 71% | 0.706 | 86% | 0.858 | S | S | * | * | 170 | 145.9 | 88.3 | 35.5 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 5 | M | 35.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 166.9 Ų | 166.9 | 88% | 0.882 | 86% | 0.862 | S | S | * | * | -168.3 | 131.3 | 88.6 | -84.7 | -84.7 | -146.8 | 0 | 0 | 110.1 | |||||
| 6 | F | 36.8 | Very low | 37.9 | Very low | 196 Ų | 196 | 160.8 Ų | 160.8 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | trans | -64.2 | 142.1 | 167 | -102 | -101.3 | 0 | 0 | 0 | 111.7 | ||||
| 7 | R | 40.7 | Very low | 38.4 | Very low | 251 Ų | 251 | 159.6 Ų | 159.6 | 95% | 0.947 | 85% | 0.853 | S | S | * | * | trans | -138.5 | 116.2 | 147.9 | -95.2 | -172.1 | 172.3 | 179.7 | -1.8 | 109.8 | ||||
| 8 | A | 41.6 | Very low | 39 | Very low | 95 Ų | 95 | 161.4 Ų | 161.4 | 79% | 0.785 | 86% | 0.856 | S | S | * | * | trans | -79.9 | 144.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | A | 38.8 | Very low | 39.4 | Very low | 90 Ų | 90 | 165.7 Ų | 165.7 | 74% | 0.744 | 86% | 0.859 | S | S | * | * | trans | -160 | 113 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 10 | L | 37.4 | Very low | 39.6 | Very low | 173 Ų | 173 | 161 Ų | 161 | 91% | 0.906 | 85% | 0.853 | S | S | * | * | trans | 55.7 | 127.9 | 131.8 | -68.3 | 160.7 | 0 | 0 | 0 | 122 | ||||
| 11 | R | 40.3 | Very low | 40 | Very low | 228 Ų | 228 | 159.6 Ų | 159.6 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -44.7 | 138.1 | 167.6 | -73.5 | 174.3 | 173.7 | -129 | 0.2 | 113.7 | ||||
| 12 | G | 36.2 | Very low | 40.4 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | -141 | 106.1 | 153 | 0 | 0 | 0 | 0 | 0 | 109.6 | R14 | G12-R14 PolarHBondContact O-N 2.91Š| ||
| 13 | W | 36.9 | Very low | 41.5 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | trans | -71.3 | 120.8 | 163 | -87.2 | 5.3 | 0 | 0 | 0 | 108.2 | ||||
| 14 | R | 40.7 | Very low | 42.5 | Very low | 243 Ų | 243 | 159.9 Ų | 159.9 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -121.6 | 113 | 160.2 | -78.9 | -169.6 | -176 | -127.4 | 2.7 | 108.9 | G12 G16 | G12-R14 PolarHBondContact O-N 2.91Å; R14-G16 PolarHBondContact O-N 3.17Å | ||
| 15 | T | 46 | Very low | 43.2 | Very low | 151 Ų | 151 | 161.9 Ų | 161.9 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | trans | -57.1 | 122.9 | 157 | 38.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | G | 39.8 | Very low | 44.2 | Very low | 70 Ų | 70 | 160.8 Ų | 160.8 | 72% | 0.722 | 85% | 0.845 | S | S | * | * | trans | -150 | 85.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R14 Q18 | R14-G16 PolarHBondContact O-N 3.17Å; G16-Q18 PolarHBondContact O-N 3.4Å | ||
| 17 | V | 47 | Very low | 45.2 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | trans | -66.6 | 111.7 | 164 | 172.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 18 | Q | 49 | Very low | 46.1 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -110.8 | 115.4 | 159.8 | -79.7 | -163.7 | -43.7 | 0 | 0 | 109.5 | G16 | G16-Q18 PolarHBondContact O-N 3.4Š| ||
| 19 | R | 46.3 | Very low | 46.8 | Very low | 244 Ų | 244 | 154.2 Ų | 154.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -63.3 | 135.7 | 164.3 | -74.1 | 179.5 | 169.2 | 178.2 | -3.5 | 109.1 | ||||
| 20 | G | 43.8 | Very low | 48 | Very low | 71 Ų | 71 | 159 Ų | 159 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | 176.3 | 72.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | G22 | G20-G22 PolarHBondContact O-N 3.4Š| ||
| 21 | C | 47.2 | Very low | 49.3 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | -53.8 | 99.9 | 156.3 | -88.4 | 0 | 0 | 0 | 0 | 106.3 | L23 | C21-L23 VanDerWaalsContact C-N 3.3Å; C21-L23 PolarHBondContact O-N 2.99Å | ||
| 22 | G | 49.9 | Very low | 50.9 | Low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -59.7 | 104.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | G20 R24 | G20-G22 PolarHBondContact O-N 3.4Å; G22-R24 VanDerWaalsContact C-N 3.27Å; G22-R24 PolarHBondContact O-N 3.39Å | ||
| 23 | L | 52.1 | Low | 52.8 | Low | 171 Ų | 171 | 148.8 Ų | 148.8 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -54.2 | 103.4 | 160.7 | -78.8 | 162.4 | 0 | 0 | 0 | 104.9 | C21 L25 | C21-L23 VanDerWaalsContact C-N 3.3Å; C21-L23 PolarHBondContact O-N 2.99Å; L23-L25 PolarHBondContact O-N 3.41Å | ||
| 24 | R | 50.4 | Low | 55.1 | Low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -54.2 | 115.9 | 160.5 | -87.4 | -174.7 | -179.2 | -163.3 | -0.1 | 104.2 | G22 L26 | G22-R24 VanDerWaalsContact C-N 3.27Å; G22-R24 PolarHBondContact O-N 3.39Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 2.97Å | ||
| 25 | L | 51.4 | Low | 57.2 | Low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -49.7 | 109.9 | 165.8 | -170.2 | 73.8 | 0 | 0 | 0 | 105 | L23 S27 | L23-L25 PolarHBondContact O-N 3.41Å; L25-S27 PolarHBondContact O-N 3.19Å; L25-S27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | L | 56.4 | Low | 59.3 | Low | 156 Ų | 156 | 140.2 Ų | 140.2 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -49.9 | 127.3 | 172.7 | -77.1 | 165.8 | 0 | 0 | 0 | 105.4 | R24 Q28 | R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 2.97Å; L26-Q28 PolarHBondContact O-N 3.3Å | ||
| 27 | S | 57.3 | Low | 61.6 | Low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -26.3 | 125.2 | 173.7 | 48 | 0 | 0 | 0 | 0 | 110.1 | L25 T29 | L25-S27 PolarHBondContact O-N 3.19Å; L25-S27 VanDerWaalsContact O-N 3.13Å; S27-T29 PolarHBondContact O-N 3.35Å | ||
| 28 | Q | 59.9 | Low | 63.7 | Low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -41.6 | 111.6 | 162.1 | -67.9 | 174.3 | 1.7 | 0 | 0 | 106.2 | L26 Q30 | L26-Q28 PolarHBondContact O-N 3.3Å; Q28-Q30 VanDerWaalsContact C-N 3.28Å; Q28-Q30 PolarHBondContact O-N 2.7Å | ||
| 29 | T | 57 | Low | 65.9 | Low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 104.6 | 169.7 | 28.6 | 0 | 0 | 0 | 0 | 104.4 | S27 G31 | S27-T29 PolarHBondContact O-N 3.35Å; T29-G31 PolarHBondContact O-N 3.12Å | ||
| 30 | Q | 62.8 | Low | 68.1 | Low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 116.9 | 170.2 | -69.7 | 179.8 | -12.7 | 0 | 0 | 104.7 | Q28 | Q28-Q30 VanDerWaalsContact C-N 3.28Å; Q28-Q30 PolarHBondContact O-N 2.7Å |
| 31 | G | 65.5 | Low | 70.5 | Confident | 53 Ų | 53 | 137.2 Ų | 137.2 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -54 | 155.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T29 | T29-G31 PolarHBondContact O-N 3.12Š|
| 32 | P | 72.3 | Confident | 72.8 | Confident | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -50.2 | 132.2 | 179.3 | 19.6 | -30.4 | 0 | 0 | 0 | 109.5 | D34 | P32-D34 PolarHBondContact O-N 3.13Š|
| 33 | P | 77.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 140 Ų | 140 | 51% | 0.506 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 134 | -177.4 | 17.4 | -30.4 | 0 | 0 | 0 | 111 | Y35 | P33-Y35 HydrophobicContact CB-CE1 4.22Å; P33-Y35 HydrophobicContact CB-CE2 4.19Å; P33-Y35 HydrophobicContact CG-CD2 4.43Å; P33-Y35 HydrophobicContact CG-CE1 4.14Å; P33-Y35 HydrophobicContact CG-CE2 3.56Å; P33-Y35 WeakPolarHBondContact CG-OH 3.48Å; P33-Y35 VanDerWaalsContact O-CD2 3.25Å; P33-Y35 WeakPolarHBondContact O-CD2 3.39Å; P33-Y35 PolarHBondContact O-N 3.5Å |
| 34 | D | 83.8 | Confident | 77 | Confident | 166 Ų | 166 | 137.3 Ų | 137.3 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -74.9 | 92.6 | -179.7 | -168 | 15.8 | 0 | 0 | 0 | 109.3 | P32 | P32-D34 PolarHBondContact O-N 3.13Š| ||
| 35 | Y | 85.7 | Confident | 79.2 | Confident | 177 Ų | 177 | 132.3 Ų | 132.3 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 144.5 | 179.7 | -63.6 | -66.4 | 0 | 0 | 0 | 111.1 | P33 | P33-Y35 HydrophobicContact CB-CE1 4.22Å; P33-Y35 HydrophobicContact CB-CE2 4.19Å; P33-Y35 HydrophobicContact CG-CD2 4.43Å; P33-Y35 HydrophobicContact CG-CE1 4.14Å; P33-Y35 HydrophobicContact CG-CE2 3.56Å; P33-Y35 WeakPolarHBondContact CG-OH 3.48Å; P33-Y35 VanDerWaalsContact O-CD2 3.25Å; P33-Y35 WeakPolarHBondContact O-CD2 3.39Å; P33-Y35 PolarHBondContact O-N 3.5Å |
| 36 | P | 89.1 | Confident | 81.3 | Confident | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.3 | 172.2 | 27.7 | -34.4 | 0 | 0 | 0 | 111 | ||
| 37 | S | 89.1 | Confident | 83.2 | Confident | 125 Ų | 125 | 126.9 Ų | 126.9 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143.6 | 174.6 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 38 | F | 92.1 | Very high | 85.1 | Confident | 159 Ų | 159 | 125 Ų | 125 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | trans | -122.9 | 160.1 | 175.5 | 62.1 | -89.5 | 0 | 0 | 0 | 111.3 | E40 | F38-E40 HydrophobicContact CD2-CG 3.76Å; F38-E40 HydrophobicContact CE2-CG 3.56Å; F38-E40 VanDerWaalsContact CE2-OE1 3.31Å; F38-E40 WeakPolarHBondContact CE2-OE1 3.44Å | ||
| 39 | V | 93.8 | Very high | 86.8 | Confident | 138 Ų | 138 | 122.6 Ų | 122.6 | 84% | 0.836 | 66% | 0.662 | S | S | * | * | trans | -117.6 | 127.7 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 40 | E | 93.5 | Very high | 88.7 | Confident | 165 Ų | 165 | 124.4 Ų | 124.4 | 77% | 0.771 | 65% | 0.653 | S | S | * | * | trans | -91.6 | 123.5 | 174.6 | -60.9 | -176.5 | 164.1 | 0 | 0 | 109.4 | F38 | F38-E40 HydrophobicContact CD2-CG 3.76Å; F38-E40 HydrophobicContact CE2-CG 3.56Å; F38-E40 VanDerWaalsContact CE2-OE1 3.31Å; F38-E40 WeakPolarHBondContact CE2-OE1 3.44Å | ||
| 41 | S | 93.4 | Very high | 90.3 | Very high | 67 Ų | 67 | 122.1 Ų | 122.1 | 47% | 0.469 | 65% | 0.647 | S | S | . | * | trans | -119.4 | 143.3 | 177.4 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | E44 | S41-E44 WeakPolarHBondContact CB-OE2 3.41Å; S41-E44 PolarHBondContact OG-OE2 2.82Å | ||
| 42 | V | 95.3 | Very high | 91.8 | Very high | 122 Ų | 122 | 125 Ų | 125 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -102 | -27.4 | 178.7 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | E44 Y45 | V42-E44 VanDerWaalsContact C-N 3.27Å; V42-E44 PolarHBondContact O-N 2.88Å; V42-Y45 WeakPolarHBondContact O-CB 3.21Å; V42-Y45 PolarHBondContact O-N 3.2Å |
| 43 | D | 94.5 | Very high | 92.9 | Very high | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -30.9 | -173.3 | -62.6 | -24.4 | 0 | 0 | 0 | 113.6 | Y45 | D43-Y45 VanDerWaalsContact C-N 3.31Š|
| 44 | E | 96.4 | Very high | 93.8 | Very high | 113 Ų | 113 | 124.8 Ų | 124.8 | 53% | 0.528 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -7.4 | 178.2 | -65.8 | 125.8 | 171.9 | 0 | 0 | 113.1 | S41 V42 Q46 F47 | S41-E44 WeakPolarHBondContact CB-OE2 3.41Å; S41-E44 PolarHBondContact OG-OE2 2.82Å; V42-E44 VanDerWaalsContact C-N 3.27Å; V42-E44 PolarHBondContact O-N 2.88Å; E44-Q46 PolarHBondContact O-N 2.9Å; E44-F47 HydrophobicContact CB-CD2 4.24Å; E44-F47 VanDerWaalsContact O-CD2 3.22Å; E44-F47 WeakPolarHBondContact O-CD2 3.43Å; E44-F47 PolarHBondContact O-N 2.76Å; E44-F47 VanDerWaalsContact O-N 3.13Å |
| 45 | Y | 95.7 | Very high | 94.3 | Very high | 127 Ų | 127 | 123.9 Ų | 123.9 | 50% | 0.498 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.8 | -21.4 | -179.7 | -160.2 | -98 | 0 | 0 | 0 | 112.8 | V42 D43 F47 V48 E49 | V42-Y45 WeakPolarHBondContact O-CB 3.21Å; V42-Y45 PolarHBondContact O-N 3.2Å; D43-Y45 VanDerWaalsContact C-N 3.31Å; Y45-F47 PolarHBondContact O-N 2.81Å; Y45-F47 VanDerWaalsContact O-N 3.07Å; Y45-V48 HydrophobicContact CD2-CB 4.1Å; Y45-V48 HydrophobicContact CD2-CG2 3.99Å; Y45-V48 HydrophobicContact CE1-CB 4.43Å; Y45-V48 HydrophobicContact CE1-CG1 4.49Å; Y45-V48 HydrophobicContact CE2-CB 4.03Å; Y45-V48 HydrophobicContact CE2-CG1 3.96Å; Y45-V48 HydrophobicContact CE2-CG2 4.16Å; Y45-V48 HydrophobicContact CG-CB 4.34Å; Y45-V48 WeakPolarHBondContact O-CA 2.87Å; Y45-V48 VanDerWaalsContact O-CB 3.29Å; Y45-V48 WeakPolarHBondContact O-CB 3.36Å; Y45-V48 PolarHBondContact O-N 2.9Å; Y45-E49 HydrophobicContact CD1-CG 3.99Å; Y45-E49 HydrophobicContact CE1-CG 4.15Å; Y45-E49 PolarHBondContact O-N 3.29Å |
| 46 | Q | 96.4 | Very high | 94.8 | Very high | 91 Ų | 91 | 124.7 Ų | 124.7 | 43% | 0.425 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -54.7 | -28.4 | 172.6 | 66.2 | 173.2 | -36.4 | 0 | 0 | 113.4 | E44 R50 | E44-Q46 PolarHBondContact O-N 2.9Å; Q46-R50 WeakPolarHBondContact O-CG 3.49Å; Q46-R50 PolarHBondContact O-N 2.72Å |
| 47 | F | 96.6 | Very high | 95.1 | Very high | 109 Ų | 109 | 121.4 Ų | 121.4 | 48% | 0.478 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -74.8 | -31.5 | 177.2 | -60.6 | -66.8 | 0 | 0 | 0 | 111.3 | E44 Y45 L51 | E44-F47 HydrophobicContact CB-CD2 4.24Å; E44-F47 VanDerWaalsContact O-CD2 3.22Å; E44-F47 WeakPolarHBondContact O-CD2 3.43Å; E44-F47 PolarHBondContact O-N 2.76Å; E44-F47 VanDerWaalsContact O-N 3.13Å; Y45-F47 PolarHBondContact O-N 2.81Å; Y45-F47 VanDerWaalsContact O-N 3.07Å; F47-L51 WeakPolarHBondContact O-CG 3.26Å |
| 48 | V | 96.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 120.2 Ų | 120.2 | 36% | 0.358 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.8 | -42.1 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 110 | Y45 R50 L51 L52 | Y45-V48 HydrophobicContact CD2-CB 4.1Å; Y45-V48 HydrophobicContact CD2-CG2 3.99Å; Y45-V48 HydrophobicContact CE1-CB 4.43Å; Y45-V48 HydrophobicContact CE1-CG1 4.49Å; Y45-V48 HydrophobicContact CE2-CB 4.03Å; Y45-V48 HydrophobicContact CE2-CG1 3.96Å; Y45-V48 HydrophobicContact CE2-CG2 4.16Å; Y45-V48 HydrophobicContact CG-CB 4.34Å; Y45-V48 WeakPolarHBondContact O-CA 2.87Å; Y45-V48 VanDerWaalsContact O-CB 3.29Å; Y45-V48 WeakPolarHBondContact O-CB 3.36Å; Y45-V48 PolarHBondContact O-N 2.9Å; V48-R50 VanDerWaalsContact C-N 3.28Å; V48-R50 PolarHBondContact O-N 2.97Å; V48-L51 WeakPolarHBondContact O-CB 3.39Å; V48-L51 PolarHBondContact O-N 3.35Å; V48-L52 PolarHBondContact O-N 3.41Å |
| 49 | E | 96.1 | Very high | 95.6 | Very high | 120 Ų | 120 | 118 Ų | 118 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58.1 | -38.3 | 178.1 | -67 | -175.7 | 168.3 | 0 | 0 | 112.7 | Y45 L51 L52 | Y45-E49 HydrophobicContact CD1-CG 3.99Å; Y45-E49 HydrophobicContact CE1-CG 4.15Å; Y45-E49 PolarHBondContact O-N 3.29Å; E49-L51 PolarHBondContact O-N 3.27Å; E49-L52 WeakPolarHBondContact O-CB 3.42Å; E49-L52 PolarHBondContact O-N 3.02Å; E49-L52 VanDerWaalsContact O-N 3.14Å |
| 50 | R | 96.1 | Very high | 95.7 | Very high | 172 Ų | 172 | 113.8 Ų | 113.8 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -21.6 | 176.9 | -65.4 | 171.6 | -163 | -175.7 | 5.9 | 113.6 | Q46 V48 | Q46-R50 WeakPolarHBondContact O-CG 3.49Å; Q46-R50 PolarHBondContact O-N 2.72Å; V48-R50 VanDerWaalsContact C-N 3.28Å; V48-R50 PolarHBondContact O-N 2.97Å |
| 51 | L | 96.8 | Very high | 95.8 | Very high | 144 Ų | 144 | 110 Ų | 110 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -14.9 | 177.5 | -61.7 | 174.7 | 0 | 0 | 0 | 112.2 | F47 V48 E49 | F47-L51 WeakPolarHBondContact O-CG 3.26Å; V48-L51 WeakPolarHBondContact O-CB 3.39Å; V48-L51 PolarHBondContact O-N 3.35Å; E49-L51 PolarHBondContact O-N 3.27Å |
| 52 | L | 96.3 | Very high | 95.9 | Very high | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -72.6 | 124.7 | 177.9 | -60.4 | 179.1 | 0 | 0 | 0 | 109.9 | V48 E49 | V48-L52 PolarHBondContact O-N 3.41Å; E49-L52 WeakPolarHBondContact O-CB 3.42Å; E49-L52 PolarHBondContact O-N 3.02Å; E49-L52 VanDerWaalsContact O-N 3.14Å |
| 53 | P | 96.6 | Very high | 95.8 | Very high | 115 Ų | 115 | 115 Ų | 115 | 75% | 0.747 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 143.5 | 178.6 | 30.2 | -34.4 | 0 | 0 | 0 | 111.2 | T55 | P53-T55 PolarHBondContact O-N 2.88Š|
| 54 | A | 95.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 117 Ų | 117 | 72% | 0.719 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 55 | T | 95.1 | Very high | 95.8 | Very high | 147 Ų | 147 | 118.7 Ų | 118.7 | 90% | 0.902 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -74.9 | -35.6 | 178.2 | -45.3 | 0 | 0 | 0 | 0 | 112.3 | P53 | P53-T55 PolarHBondContact O-N 2.88Š|
| 56 | R | 96 | Very high | 95.7 | Very high | 194 Ų | 194 | 116.8 Ų | 116.8 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -100.1 | 139.2 | -179.7 | -176.4 | 176.9 | 170 | 176.5 | -4.3 | 109.9 | ||
| 57 | I | 95.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 116.5 Ų | 116.5 | 23% | 0.226 | 60% | 0.599 | C | S | . | * | P | Polyproline II helix | trans | -64.6 | 126.7 | 172.6 | -61.2 | 173.2 | 0 | 0 | 0 | 108.2 | R90 M91 | I57-R90 HydrophobicContact CD1-CB 4.09Å; I57-R90 HydrophobicContact CD1-CG 3.81Å; I57-R90 WeakPolarHBondContact CD1-O 3.44Å; I57-M91 HydrophobicContact CD1-CE 3.85Å; I57-M91 HydrophobicContact CD1-SD 3.52Å; I57-M91 VanDerWaalsContact CD1-SD 3.52Å; I57-M91 HydrophobicContact CG1-SD 4.34Å; I57-M91 HydrophobicContact CG2-SD 4.37Å |
| 58 | P | 96.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 111.9 Ų | 111.9 | 66% | 0.656 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.6 | 176.1 | 30.2 | -34.8 | 0 | 0 | 0 | 110.7 | ||
| 59 | D | 95.5 | Very high | 95.5 | Very high | 113 Ų | 113 | 116.2 Ų | 116.2 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.7 | 172.1 | -63.7 | -49 | 0 | 0 | 0 | 110.1 | ||
| 60 | P | 95.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 115.3 Ų | 115.3 | 32% | 0.318 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 141.8 | -176.4 | 26.4 | -33.8 | 0 | 0 | 0 | 110.8 | W72 | P60-W72 HydrophobicContact CB-CH2 3.58Å; P60-W72 HydrophobicContact CB-CZ2 3.92Å; P60-W72 HydrophobicContact CB-CZ3 4.23Å; P60-W72 HydrophobicContact CG-CH2 3.61Å; P60-W72 HydrophobicContact CG-CZ2 3.79Å |
| 61 | P | 95.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 109.3 Ų | 109.3 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 149 | 175.6 | 27.6 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 62 | K | 94.6 | Very high | 95.2 | Very high | 200 Ų | 200 | 104.3 Ų | 104.3 | 87% | 0.87 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 129.7 | 172.9 | -64.9 | -177.5 | 179.3 | -177.7 | 0 | 108.9 | ||
| 63 | H | 94.2 | Very high | 95.1 | Very high | 92 Ų | 92 | 102.5 Ų | 102.5 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | trans | -111.9 | 151.6 | 176.4 | -63 | -67.5 | 0 | 0 | 0 | 109.6 | Y66 T68 | H63-Y66 HydrophobicContact CB-CE1 3.9Å; H63-Y66 PolarHBondContact N-OH 3.13Å; H63-Y66 VanDerWaalsContact O-CE2 3.24Å; H63-Y66 WeakPolarHBondContact O-CE2 3.47Å; H63-T68 VanDerWaalsContact CD2-CG2 3.45Å; H63-T68 WeakPolarHBondContact CD2-CG2 3.36Å | ||
| 64 | E | 94.8 | Very high | 95.1 | Very high | 181 Ų | 181 | 98.8 Ų | 98.8 | 85% | 0.846 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -74.3 | -34.5 | 178.5 | -62.8 | -179.2 | -179.4 | 0 | 0 | 112.2 | ||
| 65 | H | 95.1 | Very high | 95.1 | Very high | 150 Ų | 150 | 97.1 Ų | 97.1 | 69% | 0.694 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -120.3 | 134.6 | -177.6 | -59.3 | -50.8 | 0 | 0 | 0 | 111.3 | ||
| 66 | Y | 93.8 | Very high | 95 | Very high | 86 Ų | 86 | 98.6 Ų | 98.6 | 34% | 0.337 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -126 | 147.1 | 174.7 | -66.7 | -69.4 | 0 | 0 | 0 | 110.1 | H63 T68 W72 P74 | H63-Y66 HydrophobicContact CB-CE1 3.9Å; H63-Y66 PolarHBondContact N-OH 3.13Å; H63-Y66 VanDerWaalsContact O-CE2 3.24Å; H63-Y66 WeakPolarHBondContact O-CE2 3.47Å; Y66-T68 HydrophobicContact CD1-CG2 4.28Å; Y66-T68 HydrophobicContact CE1-CG2 4.3Å; Y66-W72 HydrophobicContact CE1-CE3 4.32Å; Y66-W72 AromaticContact CE1-CZ3 3.87Å; Y66-W72 HydrophobicContact CE1-CZ3 3.87Å; Y66-P74 HydrophobicContact CD1-CG 4.13Å; Y66-P74 HydrophobicContact CD2-CG 4.36Å; Y66-P74 HydrophobicContact CE1-CG 3.77Å; Y66-P74 HydrophobicContact CE2-CG 4.02Å; Y66-P74 HydrophobicContact CG-CG 4.41Å |
| 67 | P | 94.8 | Very high | 94.8 | Very high | 85 Ų | 85 | 96.1 Ų | 96.1 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | S | Bend | cis | -67.5 | 157.8 | -4.1 | 30.5 | -36.2 | 0 | 0 | 0 | 112.5 | ||
| 68 | T | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 99 Ų | 99 | 8% | 0.08 | 54% | 0.537 | C | S | . | . | trans | -65.9 | 163.8 | 172.1 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | H63 Y66 S70 G71 W72 | H63-T68 VanDerWaalsContact CD2-CG2 3.45Å; H63-T68 WeakPolarHBondContact CD2-CG2 3.36Å; Y66-T68 HydrophobicContact CD1-CG2 4.28Å; Y66-T68 HydrophobicContact CE1-CG2 4.3Å; T68-S70 PolarHBondContact O-N 3.43Å; T68-S70 PolarHBondContact OG1-OG 3.48Å; T68-G71 WeakPolarHBondContact O-CA 3.48Å; T68-G71 PolarHBondContact O-N 2.86Å; T68-W72 HydrophobicContact CG2-CE3 4.04Å; T68-W72 PolarHBondContact N-O 3.04Å; T68-W72 WeakPolarHBondContact OG1-CB 3.5Å; T68-W72 PolarHBondContact OG1-N 3.06Å; T68-W72 VanDerWaalsContact OG1-N 3.1Å; T68-W72 PolarHBondContact OG1-O 2.7Å | ||
| 69 | P | 96.1 | Very high | 94.4 | Very high | 149 Ų | 149 | 98 Ų | 98 | 97% | 0.968 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.8 | 176.2 | -27.7 | 35.9 | 0 | 0 | 0 | 114.5 | G71 | P69-G71 VanDerWaalsContact C-N 3.27Å; P69-G71 PolarHBondContact O-N 2.62Å |
| 70 | S | 93.1 | Very high | 94.2 | Very high | 101 Ų | 101 | 94.4 Ų | 94.4 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.8 | 173.8 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | T68 W72 | T68-S70 PolarHBondContact O-N 3.43Å; T68-S70 PolarHBondContact OG1-OG 3.48Å; S70-W72 VanDerWaalsContact C-N 3.34Å |
| 71 | G | 93.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 100.1 Ų | 100.1 | 49% | 0.485 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 79.3 | 11.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | T68 P69 | T68-G71 WeakPolarHBondContact O-CA 3.48Å; T68-G71 PolarHBondContact O-N 2.86Å; P69-G71 VanDerWaalsContact C-N 3.27Å; P69-G71 PolarHBondContact O-N 2.62Å |
| 72 | W | 95.8 | Very high | 94 | Very high | 38 Ų | 38 | 98.9 Ų | 98.9 | 14% | 0.144 | 53% | 0.53 | C | S | . | . | trans | -82.2 | 141.3 | 176.8 | -178.4 | 86.7 | 0 | 0 | 0 | 111 | P60 Y66 T68 S70 P74 H92 | P60-W72 HydrophobicContact CB-CH2 3.58Å; P60-W72 HydrophobicContact CB-CZ2 3.92Å; P60-W72 HydrophobicContact CB-CZ3 4.23Å; P60-W72 HydrophobicContact CG-CH2 3.61Å; P60-W72 HydrophobicContact CG-CZ2 3.79Å; Y66-W72 HydrophobicContact CE1-CE3 4.32Å; Y66-W72 AromaticContact CE1-CZ3 3.87Å; Y66-W72 HydrophobicContact CE1-CZ3 3.87Å; T68-W72 HydrophobicContact CG2-CE3 4.04Å; T68-W72 PolarHBondContact N-O 3.04Å; T68-W72 WeakPolarHBondContact OG1-CB 3.5Å; T68-W72 PolarHBondContact OG1-N 3.06Å; T68-W72 VanDerWaalsContact OG1-N 3.1Å; T68-W72 PolarHBondContact OG1-O 2.7Å; S70-W72 VanDerWaalsContact C-N 3.34Å; W72-P74 HydrophobicContact CH2-CB 3.74Å; W72-P74 HydrophobicContact CH2-CG 4.33Å; W72-P74 HydrophobicContact CZ2-CB 4.25Å; W72-P74 HydrophobicContact CZ3-CB 4.28Å; W72-P74 HydrophobicContact CZ3-CG 4.39Å; W72-H92 HydrophobicContact CZ2-CB 4.05Å; W72-H92 PolarHBondContact NE1-O 3.47Å | ||
| 73 | Q | 95.2 | Very high | 94.1 | Very high | 74 Ų | 74 | 93.2 Ų | 93.2 | 35% | 0.346 | 51% | 0.513 | S | S | . | . | trans | -139.5 | 134.3 | 176.2 | -172 | 178 | 8.9 | 0 | 0 | 109.4 | R88 L162 | Q73-R88 PolarHBondContact O-NH1 3.02Å; Q73-R88 PolarHBondContact O-NH2 3.08Å; Q73-R88 VanDerWaalsContact O-NH2 3.08Å; Q73-L162 HydrophobicContact CB-CD2 4.31Å | ||
| 74 | P | 95.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 89 Ų | 89 | 25% | 0.247 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 157.5 | 173.9 | 28.7 | -34.8 | 0 | 0 | 0 | 110.9 | Y66 W72 | Y66-P74 HydrophobicContact CD1-CG 4.13Å; Y66-P74 HydrophobicContact CD2-CG 4.36Å; Y66-P74 HydrophobicContact CE1-CG 3.77Å; Y66-P74 HydrophobicContact CE2-CG 4.02Å; Y66-P74 HydrophobicContact CG-CG 4.41Å; W72-P74 HydrophobicContact CH2-CB 3.74Å; W72-P74 HydrophobicContact CH2-CG 4.33Å; W72-P74 HydrophobicContact CZ2-CB 4.25Å; W72-P74 HydrophobicContact CZ3-CB 4.28Å; W72-P74 HydrophobicContact CZ3-CG 4.39Å |
| 75 | P | 95.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 83.8 Ų | 83.8 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 155.7 | 169.6 | 29.2 | -35.5 | 0 | 0 | 0 | 110.6 | ||
| 76 | R | 93.8 | Very high | 94.4 | Very high | 179 Ų | 179 | 76.7 Ų | 76.7 | 68% | 0.675 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 134.6 | 178.7 | -172.6 | 175.5 | -179.9 | 173 | -0.4 | 110.4 | P78 G165 | R76-P78 CarbonylContact O-C 3.55Å; R76-G165 PolarHBondContact N-O 3.37Å |
| 77 | D | 91.3 | Very high | 94.5 | Very high | 141 Ų | 141 | 78.7 Ų | 78.7 | 75% | 0.754 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -108.1 | 127.6 | 170.3 | -65.8 | -41.3 | 0 | 0 | 0 | 109.3 | ||
| 78 | P | 92.9 | Very high | 94.6 | Very high | 105 Ų | 105 | 76.1 Ų | 76.1 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | S | Bend | cis | -73.4 | 162 | -2.5 | 32.1 | -36 | 0 | 0 | 0 | 113.1 | R76 | R76-P78 CarbonylContact O-C 3.55Š|
| 79 | P | 91.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 76.3 Ų | 76.3 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 147.5 | 174.3 | -24.9 | 34 | 0 | 0 | 0 | 112.2 | N81 F85 | P79-N81 PolarHBondContact O-N 2.81Å; P79-F85 HydrophobicContact CB-CD2 4.47Å; P79-F85 HydrophobicContact CB-CE2 4.03Å |
| 80 | P | 91.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 77.3 Ų | 77.3 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.5 | 177.8 | 28.4 | -34.8 | 0 | 0 | 0 | 110.5 | L82 F166 | P80-L82 HydrophobicContact CB-CD1 4.01Å; P80-L82 HydrophobicContact CB-CG 4.16Å; P80-L82 HydrophobicContact CG-CD1 4.28Å; P80-L82 PolarHBondContact O-N 3.33Å; P80-F166 HydrophobicContact CG-CD1 3.81Å; P80-F166 HydrophobicContact CG-CE1 3.34Å; P80-F166 HydrophobicContact CG-CZ 3.78Å |
| 81 | N | 92.8 | Very high | 94.8 | Very high | 169 Ų | 169 | 77.4 Ų | 77.4 | 90% | 0.904 | 40% | 0.399 | S | S | * | . | trans | -78.4 | 69.7 | 176.6 | -171.4 | 17.6 | 0 | 0 | 0 | 110.4 | P79 | P79-N81 PolarHBondContact O-N 2.81Š| ||
| 82 | L | 94.1 | Very high | 94.9 | Very high | 60 Ų | 60 | 77.7 Ų | 77.7 | 31% | 0.314 | 39% | 0.387 | S | S | . | . | trans | -116.4 | 154.2 | 179.5 | -69.9 | 173.7 | 0 | 0 | 0 | 109.9 | P80 Y84 K164 F166 | P80-L82 HydrophobicContact CB-CD1 4.01Å; P80-L82 HydrophobicContact CB-CG 4.16Å; P80-L82 HydrophobicContact CG-CD1 4.28Å; P80-L82 PolarHBondContact O-N 3.33Å; L82-Y84 PolarHBondContact O-N 3.23Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; L82-K164 HydrophobicContact CD1-CD 4.16Å; L82-F166 HydrophobicContact CB-CZ 4.41Å; L82-F166 HydrophobicContact CD1-CE2 3.87Å; L82-F166 HydrophobicContact CD1-CZ 3.49Å; L82-F166 VanDerWaalsContact CD1-CZ 3.49Å | ||
| 83 | P | 95.9 | Very high | 94.9 | Very high | 82 Ų | 82 | 79.7 Ų | 79.7 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -69.1 | -9.2 | -179.8 | 29.4 | -35.5 | 0 | 0 | 0 | 113.2 | D116 A119 | P83-D116 HydrophobicContact CB-CB 4.15Å; P83-D116 PolarHBondContact O-N 2.91Å; P83-A119 HydrophobicContact CB-CB 4.49Å; P83-A119 HydrophobicContact CG-CB 3.69Å |
| 84 | Y | 96.4 | Very high | 95 | Very high | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.6 | 176.1 | 61.8 | -95.9 | 0 | 0 | 0 | 111.3 | L82 E114 D116 A119 L120 D123 K164 F166 | L82-Y84 PolarHBondContact O-N 3.23Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; Y84-E114 CarbonylContact C-O 3.27Å; Y84-E114 WeakPolarHBondContact CA-O 3.29Å; Y84-E114 WeakPolarHBondContact CB-O 3.4Å; Y84-D116 WeakPolarHBondContact CB-O 3.16Å; Y84-A119 HydrophobicContact CD1-CB 3.86Å; Y84-A119 HydrophobicContact CE1-CB 4.2Å; Y84-L120 HydrophobicContact CD1-CB 3.91Å; Y84-L120 HydrophobicContact CD2-CB 3.98Å; Y84-L120 HydrophobicContact CD2-CD1 3.94Å; Y84-L120 HydrophobicContact CD2-CG 4.4Å; Y84-L120 HydrophobicContact CE1-CB 4.04Å; Y84-L120 HydrophobicContact CE1-CD1 4.49Å; Y84-L120 HydrophobicContact CE2-CB 4.1Å; Y84-L120 HydrophobicContact CE2-CD1 3.42Å; Y84-L120 VanDerWaalsContact CE2-CD1 3.42Å; Y84-L120 HydrophobicContact CE2-CG 4.29Å; Y84-L120 HydrophobicContact CG-CB 3.89Å; Y84-D123 PolarHBondContact OH-OD2 3.41Å; Y84-K164 PolarHBondContact OH-NZ 3.15Å; Y84-F166 HydrophobicContact CD2-CE2 4.38Å; Y84-F166 AromaticContact CD2-CZ 3.95Å; Y84-F166 HydrophobicContact CD2-CZ 3.95Å; Y84-F166 AromaticContact CE2-CE2 3.72Å; Y84-F166 HydrophobicContact CE2-CE2 3.72Å; Y84-F166 AromaticContact CE2-CZ 3.67Å; Y84-F166 HydrophobicContact CE2-CZ 3.67Å |
| 85 | F | 96.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 75.3 Ų | 75.3 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134 | 178.1 | -172.7 | -105 | 0 | 0 | 0 | 110.9 | P79 R87 E114 F166 | P79-F85 HydrophobicContact CB-CD2 4.47Å; P79-F85 HydrophobicContact CB-CE2 4.03Å; F85-R87 HydrophobicContact CD1-CG 3.69Å; F85-R87 HydrophobicContact CE1-CG 3.61Å; F85-E114 PolarHBondContact N-O 3.05Å; F85-E114 PolarHBondContact O-N 3.01Å; F85-F166 HydrophobicContact CB-CE1 4.49Å; F85-F166 AromaticContact CD2-CD1 3.72Å; F85-F166 HydrophobicContact CD2-CD1 3.72Å; F85-F166 AromaticContact CD2-CE1 3.66Å; F85-F166 HydrophobicContact CD2-CE1 3.66Å; F85-F166 AromaticContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CE1 4.25Å; F85-F166 HydrophobicContact CG-CD1 4.48Å; F85-F166 HydrophobicContact CG-CE1 4.37Å |
| 86 | V | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.3 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | P95 I110 V113 L161 F166 | V86-P95 HydrophobicContact CG1-CG 3.48Å; V86-P95 VanDerWaalsContact CG1-CG 3.48Å; V86-I110 HydrophobicContact CG1-CG2 4.5Å; V86-V113 HydrophobicContact CG2-CG2 4.45Å; V86-L161 HydrophobicContact CG1-CD1 4.44Å; V86-L161 HydrophobicContact CG2-CD2 4.04Å; V86-F166 HydrophobicContact CB-CB 4.19Å; V86-F166 HydrophobicContact CB-CD1 4.4Å; V86-F166 HydrophobicContact CB-CG 4.18Å |
| 87 | R | 96.3 | Very high | 95.4 | Very high | 128 Ų | 128 | 69.1 Ų | 69.1 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 140.3 | -178.4 | -71.4 | 175.9 | 72 | 174.9 | 10.2 | 112.3 | F85 P95 K112 E114 | F85-R87 HydrophobicContact CD1-CG 3.69Å; F85-R87 HydrophobicContact CE1-CG 3.61Å; R87-P95 WeakPolarHBondContact O-CG 3.05Å; R87-K112 HydrophobicContact CB-CB 4.15Å; R87-K112 HydrophobicContact CB-CD 4.44Å; R87-K112 PolarHBondContact N-O 3.37Å; R87-K112 WeakPolarHBondContact O-CD 3.35Å; R87-E114 WeakPolarHBondContact CD-OE1 3.16Å; R87-E114 WeakPolarHBondContact CD-OE2 3.21Å; R87-E114 IonicContact CZ-OE1 3.7Å; R87-E114 IonicContact NE-OE1 2.75Å; R87-E114 IonicContact NH1-OE1 3.83Å; R87-E114 PolarHBondContact NH1-OE1 3.42Å |
| 88 | R | 96.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 152.5 | 170.2 | -62.7 | -62.2 | -175.2 | 111 | -1.9 | 112.5 | Q73 H92 K112 L162 F166 | Q73-R88 PolarHBondContact O-NH1 3.02Å; Q73-R88 PolarHBondContact O-NH2 3.08Å; Q73-R88 VanDerWaalsContact O-NH2 3.08Å; R88-H92 PolarHBondContact NH1-O 3.34Å; R88-K112 PolarHBondContact O-NZ 2.78Å; R88-L162 VanDerWaalsContact NH2-CD2 3.31Å; R88-F166 VanDerWaalsContact NE-C 3.29Å; R88-F166 PolarHBondContact NE-O 2.88Å; R88-F166 PolarHBondContact NE-OXT 2.8Å; R88-F166 PolarHBondContact NH2-O 3.02Å |
| 89 | S | 96.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 171.6 | 171.9 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | M91 H92 N93 | S89-M91 PolarHBondContact O-N 3.15Å; S89-M91 VanDerWaalsContact O-N 3.15Å; S89-M91 PolarHBondContact OG-N 3.42Å; S89-H92 PolarHBondContact O-N 2.93Å; S89-N93 WeakPolarHBondContact CB-O 3.41Å; S89-N93 PolarHBondContact N-O 3.42Å; S89-N93 WeakPolarHBondContact OG-CB 3.35Å; S89-N93 PolarHBondContact OG-N 2.9Å; S89-N93 PolarHBondContact OG-O 3.45Å |
| 90 | R | 95.9 | Very high | 96 | Very high | 171 Ų | 171 | 66.8 Ų | 66.8 | 65% | 0.645 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23 | 176 | 77.5 | -177.6 | -54.2 | -125.2 | -0.8 | 113.4 | I57 H92 | I57-R90 HydrophobicContact CD1-CB 4.09Å; I57-R90 HydrophobicContact CD1-CG 3.81Å; I57-R90 WeakPolarHBondContact CD1-O 3.44Å; R90-H92 VanDerWaalsContact C-N 3.34Å |
| 91 | M | 96.2 | Very high | 96.1 | Very high | 103 Ų | 103 | 67.3 Ų | 67.3 | 51% | 0.507 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 22.6 | 177.4 | -56.1 | -57.4 | -172.7 | 0 | 0 | 111.6 | I57 S89 N93 | I57-M91 HydrophobicContact CD1-CE 3.85Å; I57-M91 HydrophobicContact CD1-SD 3.52Å; I57-M91 VanDerWaalsContact CD1-SD 3.52Å; I57-M91 HydrophobicContact CG1-SD 4.34Å; I57-M91 HydrophobicContact CG2-SD 4.37Å; S89-M91 PolarHBondContact O-N 3.15Å; S89-M91 VanDerWaalsContact O-N 3.15Å; S89-M91 PolarHBondContact OG-N 3.42Å; M91-N93 PolarHBondContact O-N 3.45Å; M91-N93 PolarHBondContact O-ND2 2.89Å |
| 92 | H | 95.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 67 Ų | 67 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 59.7 | 16.1 | 178.7 | -48.4 | -81.9 | 0 | 0 | 0 | 116.1 | W72 R88 S89 R90 | W72-H92 HydrophobicContact CZ2-CB 4.05Å; W72-H92 PolarHBondContact NE1-O 3.47Å; R88-H92 PolarHBondContact NH1-O 3.34Å; S89-H92 PolarHBondContact O-N 2.93Å; R90-H92 VanDerWaalsContact C-N 3.34Å |
| 93 | N | 95.9 | Very high | 96 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | trans | -94 | 155.9 | 177.1 | -63.4 | -43 | 0 | 0 | 0 | 113 | S89 M91 | S89-N93 WeakPolarHBondContact CB-O 3.41Å; S89-N93 PolarHBondContact N-O 3.42Å; S89-N93 WeakPolarHBondContact OG-CB 3.35Å; S89-N93 PolarHBondContact OG-N 2.9Å; S89-N93 PolarHBondContact OG-O 3.45Å; M91-N93 PolarHBondContact O-N 3.45Å; M91-N93 PolarHBondContact O-ND2 2.89Å | ||
| 94 | V | 96.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 69.5 Ų | 69.5 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | trans | -65.9 | 130.3 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | V96 K158 L161 L162 | V94-V96 HydrophobicContact CG1-CG2 3.85Å; V94-V96 PolarHBondContact O-N 3.08Å; V94-K158 HydrophobicContact CB-CG 4.44Å; V94-K158 HydrophobicContact CG1-CG 4.47Å; V94-L161 HydrophobicContact CG1-CB 4Å; V94-L161 HydrophobicContact CG1-CD1 3.52Å; V94-L161 HydrophobicContact CG1-CG 4.42Å; V94-L162 HydrophobicContact CG2-CD2 3.78Å; V94-L162 HydrophobicContact CG2-CG 4.1Å | ||
| 95 | P | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | trans | -82.1 | 52.1 | -170.9 | 37.5 | -41.5 | 0 | 0 | 0 | 113.9 | V86 R87 Y97 R111 K112 | V86-P95 HydrophobicContact CG1-CG 3.48Å; V86-P95 VanDerWaalsContact CG1-CG 3.48Å; R87-P95 WeakPolarHBondContact O-CG 3.05Å; P95-Y97 HydrophobicContact CB-CE2 4.12Å; P95-R111 HydrophobicContact CB-CB 4.32Å; P95-R111 WeakPolarHBondContact CB-O 3.32Å; P95-R111 WeakPolarHBondContact CG-O 3.41Å; P95-R111 PolarHBondContact O-N 3.08Å; P95-K112 HydrophobicContact CB-CD 4.22Å; P95-K112 HydrophobicContact CB-CG 4.39Å; P95-K112 HydrophobicContact CG-CB 4.35Å | ||
| 96 | V | 98 | Very high | 95.8 | Very high | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.3 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | V94 T108 I110 D154 L157 K158 L161 | V94-V96 HydrophobicContact CG1-CG2 3.85Å; V94-V96 PolarHBondContact O-N 3.08Å; V96-T108 HydrophobicContact CG1-CG2 3.65Å; V96-I110 HydrophobicContact CG2-CG1 4.3Å; V96-D154 HydrophobicContact CG1-CB 4.11Å; V96-L157 HydrophobicContact CG1-CB 4.19Å; V96-L157 HydrophobicContact CG2-CB 4.4Å; V96-K158 HydrophobicContact CB-CG 3.89Å; V96-K158 HydrophobicContact CG1-CG 4.31Å; V96-K158 HydrophobicContact CG2-CG 4.21Å; V96-K158 WeakPolarHBondContact O-CE 3.19Å; V96-L161 HydrophobicContact CG2-CD1 3.58Å |
| 97 | Y | 97.6 | Very high | 95.8 | Very high | 99 Ų | 99 | 76.8 Ų | 76.8 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.3 | -173.9 | -54.5 | -74.2 | 0 | 0 | 0 | 111.8 | P95 T108 V109 R111 | P95-Y97 HydrophobicContact CB-CE2 4.12Å; Y97-T108 CarbonylContact O-C 3.36Å; Y97-T108 WeakPolarHBondContact O-CA 3.22Å; Y97-V109 PolarHBondContact N-O 3.46Å; Y97-V109 PolarHBondContact O-N 3.11Å; Y97-R111 HydrophobicContact CD2-CG 4.25Å; Y97-R111 HydrophobicContact CE2-CG 4.42Å |
| 98 | R | 97 | Very high | 95.9 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 51% | 0.506 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 138.6 | 167.1 | -63.6 | -178.7 | 178.7 | 165.8 | 3.2 | 109 | Y152 D154 | R98-Y152 HydrophobicContact CB-CD1 4.2Å; R98-Y152 HydrophobicContact CB-CE1 4.03Å; R98-Y152 HydrophobicContact CG-CD1 3.85Å; R98-Y152 HydrophobicContact CG-CE1 4.13Å; R98-D154 HydrophobicContact CG-CB 3.93Å; R98-D154 IonicContact CZ-OD1 3.14Å; R98-D154 IonicContact CZ-OD2 3.39Å; R98-D154 IonicContact NE-OD1 2.8Å; R98-D154 PolarHBondContact NE-OD1 3.43Å; R98-D154 IonicContact NE-OD2 3.15Å; R98-D154 PolarHBondContact NE-OD2 3.28Å; R98-D154 VanDerWaalsContact NE-OD2 3.15Å; R98-D154 VanDerWaalsContact NH2-CG 3.3Å; R98-D154 IonicContact NH2-OD1 2.68Å; R98-D154 PolarHBondContact NH2-OD1 3.28Å; R98-D154 IonicContact NH2-OD2 3.2Å; R98-D154 PolarHBondContact NH2-OD2 2.99Å |
| 99 | D | 95.8 | Very high | 96 | Very high | 54 Ų | 54 | 69.7 Ų | 69.7 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.8 | 174.7 | -177.8 | 15.3 | 0 | 0 | 0 | 108 | M107 V109 R148 | D99-M107 HydrophobicContact CB-CG 3.59Å; D99-M107 HydrophobicContact CB-SD 4.27Å; D99-M107 PolarHBondContact N-O 3.33Å; D99-M107 WeakPolarHBondContact O-CG 3.39Å; D99-M107 PolarHBondContact O-N 3.01Å; D99-M107 VanDerWaalsContact O-O 3.09Å; D99-V109 HydrophobicContact CB-CG2 3.75Å; D99-R148 IonicContact OD2-CZ 2.72Å; D99-R148 IonicContact OD2-NH1 3.62Å; D99-R148 PolarHBondContact OD2-NH1 3.39Å |
| 100 | I | 95.8 | Very high | 96 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 46% | 0.462 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.3 | -177.4 | -52.5 | 173.7 | 0 | 0 | 0 | 107.1 | R105 Y152 | I100-R105 WeakPolarHBondContact CA-O 3.41Å; I100-Y152 WeakPolarHBondContact CD1-OH 3.45Å; I100-Y152 HydrophobicContact CG1-CE1 4.25Å; I100-Y152 WeakPolarHBondContact CG1-OH 3.31Å |
| 101 | T | 94.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 67.4 Ų | 67.4 | 29% | 0.288 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145 | 175 | -32 | 0 | 0 | 0 | 0 | 110 | G103 N104 R105 M107 | T101-G103 PolarHBondContact O-N 2.98Å; T101-N104 PolarHBondContact O-N 2.86Å; T101-R105 PolarHBondContact N-O 3.37Å; T101-R105 VanDerWaalsContact O-CB 3.28Å; T101-R105 WeakPolarHBondContact O-CB 3.49Å; T101-R105 PolarHBondContact O-N 2.84Å; T101-M107 VanDerWaalsContact OG1-CE 3.3Å; T101-M107 WeakPolarHBondContact OG1-CE 3.25Å |
| 102 | H | 92.6 | Very high | 96.1 | Very high | 163 Ų | 163 | 66.7 Ų | 66.7 | 76% | 0.755 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 19 | 176.9 | -48 | 98.9 | 0 | 0 | 0 | 114.9 | N104 | H102-N104 PolarHBondContact O-N 3.26Å; H102-N104 PolarHBondContact O-OD1 2.99Å |
| 103 | G | 91.8 | Very high | 96.2 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 67% | 0.67 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -28.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T101 | T101-G103 PolarHBondContact O-N 2.98Š|
| 104 | N | 94.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 65.1 Ų | 65.1 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -22.4 | -175.4 | 64.4 | -4 | 0 | 0 | 0 | 114.3 | T101 H102 Q106 | T101-N104 PolarHBondContact O-N 2.86Å; H102-N104 PolarHBondContact O-N 3.26Å; H102-N104 PolarHBondContact O-OD1 2.99Å; N104-Q106 PolarHBondContact O-N 3.12Å |
| 105 | R | 94.3 | Very high | 96.1 | Very high | 131 Ų | 131 | 67.4 Ų | 67.4 | 49% | 0.494 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 94.5 | -176.3 | -170.7 | -178 | -178.4 | 176.9 | -0.8 | 109.5 | I100 T101 M107 | I100-R105 WeakPolarHBondContact CA-O 3.41Å; T101-R105 PolarHBondContact N-O 3.37Å; T101-R105 VanDerWaalsContact O-CB 3.28Å; T101-R105 WeakPolarHBondContact O-CB 3.49Å; T101-R105 PolarHBondContact O-N 2.84Å; R105-M107 HydrophobicContact CG-CE 3.9Å |
| 106 | Q | 96.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 70.9 Ų | 70.9 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.6 | 176.9 | -58 | 179.2 | -8.6 | 0 | 0 | 110 | N104 G151 Y152 | N104-Q106 PolarHBondContact O-N 3.12Å; Q106-G151 PolarHBondContact O-N 3.02Å; Q106-Y152 HydrophobicContact CB-CD1 4.1Å; Q106-Y152 HydrophobicContact CB-CE1 3.65Å; Q106-Y152 HydrophobicContact CB-CE2 4.19Å; Q106-Y152 VanDerWaalsContact CD-CZ 3.45Å; Q106-Y152 HydrophobicContact CG-CE1 4.02Å; Q106-Y152 HydrophobicContact CG-CE2 3.91Å; Q106-Y152 WeakPolarHBondContact CG-OH 3.41Å |
| 107 | M | 97.2 | Very high | 96 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.4 | 176.5 | 70.2 | -173.8 | 78.2 | 0 | 0 | 111.5 | D99 T101 R105 V109 R148 I149 G151 | D99-M107 HydrophobicContact CB-CG 3.59Å; D99-M107 HydrophobicContact CB-SD 4.27Å; D99-M107 PolarHBondContact N-O 3.33Å; D99-M107 WeakPolarHBondContact O-CG 3.39Å; D99-M107 PolarHBondContact O-N 3.01Å; D99-M107 VanDerWaalsContact O-O 3.09Å; T101-M107 VanDerWaalsContact OG1-CE 3.3Å; T101-M107 WeakPolarHBondContact OG1-CE 3.25Å; R105-M107 HydrophobicContact CG-CE 3.9Å; M107-V109 HydrophobicContact CG-CG2 4.25Å; M107-R148 PolarHBondContact SD-NH1 3.2Å; M107-I149 CarbonylContact C-O 3.47Å; M107-I149 WeakPolarHBondContact CA-O 3.38Å; M107-I149 VanDerWaalsContact CB-O 3.28Å; M107-I149 WeakPolarHBondContact CB-O 3.17Å; M107-G151 CarbonylContact C-O 3.5Å; M107-G151 VanDerWaalsContact C-O 3.27Å; M107-G151 WeakPolarHBondContact CA-O 3.38Å |
| 108 | T | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.3 | 172.2 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | V96 Y97 R148 I149 G151 Y152 F153 D154 L157 | V96-T108 HydrophobicContact CG1-CG2 3.65Å; Y97-T108 CarbonylContact O-C 3.36Å; Y97-T108 WeakPolarHBondContact O-CA 3.22Å; T108-R148 WeakPolarHBondContact O-CA 3.24Å; T108-I149 PolarHBondContact N-O 2.8Å; T108-I149 PolarHBondContact O-N 3.15Å; T108-G151 PolarHBondContact N-O 3.14Å; T108-G151 VanDerWaalsContact N-O 3.13Å; T108-G151 PolarHBondContact OG1-O 2.97Å; T108-Y152 WeakPolarHBondContact OG1-CA 3.37Å; T108-F153 PolarHBondContact OG1-N 3.18Å; T108-D154 HydrophobicContact CG2-CB 4.37Å; T108-L157 HydrophobicContact CG2-CD1 3.82Å |
| 109 | V | 97.9 | Very high | 96 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.7 | -175.4 | -171.4 | 0 | 0 | 0 | 0 | 109 | Y97 D99 M107 R111 L147 R148 | Y97-V109 PolarHBondContact N-O 3.46Å; Y97-V109 PolarHBondContact O-N 3.11Å; D99-V109 HydrophobicContact CB-CG2 3.75Å; M107-V109 HydrophobicContact CG-CG2 4.25Å; V109-R111 HydrophobicContact CG1-CG 3.93Å; V109-L147 WeakPolarHBondContact CA-O 3.42Å; V109-R148 HydrophobicContact CG1-CG 4.19Å; V109-R148 HydrophobicContact CG2-CG 4.14Å |
| 110 | I | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.2 | 167.4 | -52.4 | -178.2 | 0 | 0 | 0 | 107.3 | V86 V96 V113 V124 T146 L147 I149 L157 | V86-I110 HydrophobicContact CG1-CG2 4.5Å; V96-I110 HydrophobicContact CG2-CG1 4.3Å; I110-V113 HydrophobicContact CG2-CG2 3.84Å; I110-V124 HydrophobicContact CD1-CG2 4.38Å; I110-T146 VanDerWaalsContact O-CA 3.31Å; I110-T146 WeakPolarHBondContact O-CA 3.28Å; I110-L147 HydrophobicContact CB-CB 4.33Å; I110-L147 HydrophobicContact CD1-CD2 4.34Å; I110-L147 PolarHBondContact N-O 3.44Å; I110-L147 PolarHBondContact O-N 3.41Å; I110-I149 HydrophobicContact CD1-CD1 4.26Å; I110-L157 HydrophobicContact CD1-CD1 4.27Å |
| 111 | R | 97.4 | Very high | 96.1 | Very high | 139 Ų | 139 | 62.1 Ų | 62.1 | 53% | 0.525 | 32% | 0.321 | S | S | . | . | trans | -114.5 | 168.8 | 178.7 | -58 | 179.2 | 68.3 | 178.2 | 2.4 | 110.3 | P95 Y97 V109 V113 T146 | P95-R111 HydrophobicContact CB-CB 4.32Å; P95-R111 WeakPolarHBondContact CB-O 3.32Å; P95-R111 WeakPolarHBondContact CG-O 3.41Å; P95-R111 PolarHBondContact O-N 3.08Å; Y97-R111 HydrophobicContact CD2-CG 4.25Å; Y97-R111 HydrophobicContact CE2-CG 4.42Å; V109-R111 HydrophobicContact CG1-CG 3.93Å; R111-V113 VanDerWaalsContact C-N 3.29Å; R111-V113 PolarHBondContact O-N 3Å; R111-T146 HydrophobicContact CG-CG2 4.24Å | ||
| 112 | K | 96.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 66 Ų | 66 | 39% | 0.387 | 33% | 0.334 | S | S | . | . | trans | 60.2 | 39.4 | 174 | -52.9 | -179.4 | 158.7 | -144.9 | 0 | 112.8 | R87 R88 P95 G145 | R87-K112 HydrophobicContact CB-CB 4.15Å; R87-K112 HydrophobicContact CB-CD 4.44Å; R87-K112 PolarHBondContact N-O 3.37Å; R87-K112 WeakPolarHBondContact O-CD 3.35Å; R88-K112 PolarHBondContact O-NZ 2.78Å; P95-K112 HydrophobicContact CB-CD 4.22Å; P95-K112 HydrophobicContact CB-CG 4.39Å; P95-K112 HydrophobicContact CG-CB 4.35Å; K112-G145 PolarHBondContact N-O 2.89Å | ||
| 113 | V | 97.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129.6 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | V86 I110 R111 I117 L120 G145 | V86-V113 HydrophobicContact CG2-CG2 4.45Å; I110-V113 HydrophobicContact CG2-CG2 3.84Å; R111-V113 VanDerWaalsContact C-N 3.29Å; R111-V113 PolarHBondContact O-N 3Å; V113-I117 HydrophobicContact CB-CD1 4.3Å; V113-I117 HydrophobicContact CG1-CB 4.39Å; V113-I117 HydrophobicContact CG1-CD1 4.36Å; V113-I117 HydrophobicContact CG1-CG1 4.16Å; V113-L120 HydrophobicContact CB-CD2 4.17Å; V113-L120 HydrophobicContact CG1-CD2 3.57Å; V113-L120 HydrophobicContact CG2-CD2 3.45Å; V113-L120 VanDerWaalsContact CG2-CD2 3.45Å; V113-G145 PolarHBondContact N-O 3.16Å; V113-G145 VanDerWaalsContact N-O 3.15Å |
| 114 | E | 95.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.4 | 173.9 | -64.2 | -176.4 | 172.6 | 0 | 0 | 109.2 | Y84 F85 R87 | Y84-E114 CarbonylContact C-O 3.27Å; Y84-E114 WeakPolarHBondContact CA-O 3.29Å; Y84-E114 WeakPolarHBondContact CB-O 3.4Å; F85-E114 PolarHBondContact N-O 3.05Å; F85-E114 PolarHBondContact O-N 3.01Å; R87-E114 WeakPolarHBondContact CD-OE1 3.16Å; R87-E114 WeakPolarHBondContact CD-OE2 3.21Å; R87-E114 IonicContact CZ-OE1 3.7Å; R87-E114 IonicContact NE-OE1 2.75Å; R87-E114 IonicContact NH1-OE1 3.83Å; R87-E114 PolarHBondContact NH1-OE1 3.42Å |
| 115 | G | 95.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 69% | 0.691 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 81.6 | -148.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I117 | G115-I117 PolarHBondContact O-N 2.96Å |
| 116 | D | 96.5 | Very high | 96.9 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 39% | 0.39 | 26% | 0.257 | S | S | . | . | trans | -77.9 | 98.7 | -175 | -175.7 | 5.1 | 0 | 0 | 0 | 112.6 | P83 Y84 W118 A119 L120 | P83-D116 HydrophobicContact CB-CB 4.15Å; P83-D116 PolarHBondContact O-N 2.91Å; Y84-D116 WeakPolarHBondContact CB-O 3.16Å; D116-W118 VanDerWaalsContact C-N 3.28Å; D116-W118 PolarHBondContact O-N 2.94Å; D116-W118 WeakPolarHBondContact OD1-CB 3.5Å; D116-W118 PolarHBondContact OD1-N 3.49Å; D116-A119 HydrophobicContact CB-CB 4.17Å; D116-A119 PolarHBondContact O-N 2.84Å; D116-A119 PolarHBondContact OD1-N 2.82Å; D116-L120 PolarHBondContact O-N 3.39Å | ||
| 117 | I | 96.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -22.5 | 179.6 | -165.2 | 160 | 0 | 0 | 0 | 113.4 | V113 G115 L120 Q121 V140 E142 | V113-I117 HydrophobicContact CB-CD1 4.3Å; V113-I117 HydrophobicContact CG1-CB 4.39Å; V113-I117 HydrophobicContact CG1-CD1 4.36Å; V113-I117 HydrophobicContact CG1-CG1 4.16Å; G115-I117 PolarHBondContact O-N 2.96Å; I117-L120 PolarHBondContact O-N 2.92Å; I117-Q121 PolarHBondContact O-N 2.9Å; I117-V140 HydrophobicContact CB-CG1 4.3Å; I117-V140 HydrophobicContact CD1-CG1 3.96Å; I117-V140 HydrophobicContact CG1-CG1 3.94Å; I117-V140 HydrophobicContact CG2-CG1 3.41Å; I117-V140 VanDerWaalsContact CG2-CG1 3.41Å; I117-E142 HydrophobicContact CG2-CG 3.99Å |
| 118 | W | 97.2 | Very high | 96.8 | Very high | 137 Ų | 137 | 50.1 Ų | 50.1 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.4 | -37.1 | 177.6 | -62.7 | 96.3 | 0 | 0 | 0 | 110.9 | D116 L120 Q121 K122 E142 | D116-W118 VanDerWaalsContact C-N 3.28Å; D116-W118 PolarHBondContact O-N 2.94Å; D116-W118 WeakPolarHBondContact OD1-CB 3.5Å; D116-W118 PolarHBondContact OD1-N 3.49Å; W118-L120 VanDerWaalsContact C-N 3.34Å; W118-Q121 PolarHBondContact O-N 3.39Å; W118-K122 PolarHBondContact O-N 3.49Å; W118-E142 WeakPolarHBondContact CZ2-OE1 3.37Å; W118-E142 PolarHBondContact NE1-OE1 2.95Å |
| 119 | A | 97.2 | Very high | 96.7 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P83 Y84 D116 K122 D123 | P83-A119 HydrophobicContact CB-CB 4.49Å; P83-A119 HydrophobicContact CG-CB 3.69Å; Y84-A119 HydrophobicContact CD1-CB 3.86Å; Y84-A119 HydrophobicContact CE1-CB 4.2Å; D116-A119 HydrophobicContact CB-CB 4.17Å; D116-A119 PolarHBondContact O-N 2.84Å; D116-A119 PolarHBondContact OD1-N 2.82Å; A119-K122 PolarHBondContact O-N 2.96Å; A119-D123 WeakPolarHBondContact O-CB 3.3Å; A119-D123 PolarHBondContact O-N 3.13Å |
| 120 | L | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.1 | 176.2 | 67.8 | 0 | 0 | 0 | 111.9 | Y84 V113 D116 I117 W118 K122 D123 V124 L147 W160 | Y84-L120 HydrophobicContact CD1-CB 3.91Å; Y84-L120 HydrophobicContact CD2-CB 3.98Å; Y84-L120 HydrophobicContact CD2-CD1 3.94Å; Y84-L120 HydrophobicContact CD2-CG 4.4Å; Y84-L120 HydrophobicContact CE1-CB 4.04Å; Y84-L120 HydrophobicContact CE1-CD1 4.49Å; Y84-L120 HydrophobicContact CE2-CB 4.1Å; Y84-L120 HydrophobicContact CE2-CD1 3.42Å; Y84-L120 VanDerWaalsContact CE2-CD1 3.42Å; Y84-L120 HydrophobicContact CE2-CG 4.29Å; Y84-L120 HydrophobicContact CG-CB 3.89Å; V113-L120 HydrophobicContact CB-CD2 4.17Å; V113-L120 HydrophobicContact CG1-CD2 3.57Å; V113-L120 HydrophobicContact CG2-CD2 3.45Å; V113-L120 VanDerWaalsContact CG2-CD2 3.45Å; D116-L120 PolarHBondContact O-N 3.39Å; I117-L120 PolarHBondContact O-N 2.92Å; W118-L120 VanDerWaalsContact C-N 3.34Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.01Å; L120-D123 PolarHBondContact O-N 3.39Å; L120-V124 HydrophobicContact CD1-CG2 4.03Å; L120-V124 HydrophobicContact CG-CG2 4.34Å; L120-V124 WeakPolarHBondContact O-CB 3.26Å; L120-V124 VanDerWaalsContact O-CG2 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 2.84Å; L120-L147 HydrophobicContact CD2-CD2 4.36Å; L120-L147 HydrophobicContact CG-CD2 4.26Å; L120-W160 HydrophobicContact CD1-CH2 4.03Å; L120-W160 HydrophobicContact CD1-CZ3 3.96Å |
| 121 | Q | 97.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 178.2 | 179 | -164.7 | -11.6 | 0 | 0 | 110.7 | I117 W118 V124 E125 T138 V140 L147 | I117-Q121 PolarHBondContact O-N 2.9Å; W118-Q121 PolarHBondContact O-N 3.39Å; Q121-V124 PolarHBondContact O-N 3.16Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.44Å; Q121-E125 PolarHBondContact NE2-OE1 2.65Å; Q121-E125 WeakPolarHBondContact O-CB 3.28Å; Q121-E125 WeakPolarHBondContact O-CG 3.17Å; Q121-E125 PolarHBondContact O-N 3.03Å; Q121-T138 HydrophobicContact CG-CG2 4.47Å; Q121-T138 PolarHBondContact NE2-OG1 3.46Å; Q121-V140 HydrophobicContact CB-CG2 4.05Å; Q121-V140 HydrophobicContact CG-CG2 4.09Å; Q121-L147 HydrophobicContact CB-CD1 4.09Å; Q121-L147 HydrophobicContact CG-CD1 4.14Å |
| 122 | K | 97.4 | Very high | 95.9 | Very high | 128 Ų | 128 | 57.4 Ų | 57.4 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.9 | -48.2 | 179.5 | -173.6 | -176.1 | 175.5 | -172.8 | 0 | 111.6 | W118 A119 L120 V124 E125 D126 | W118-K122 PolarHBondContact O-N 3.49Å; A119-K122 PolarHBondContact O-N 2.96Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.01Å; K122-V124 VanDerWaalsContact C-N 3.25Å; K122-V124 PolarHBondContact O-N 2.75Å; K122-E125 PolarHBondContact O-N 2.76Å; K122-E125 VanDerWaalsContact O-N 3.13Å; K122-D126 PolarHBondContact O-N 2.81Å |
| 123 | D | 96.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 177.6 | -88 | 25.1 | 0 | 0 | 0 | 112.4 | Y84 A119 L120 F127 W160 K164 | Y84-D123 PolarHBondContact OH-OD2 3.41Å; A119-D123 WeakPolarHBondContact O-CB 3.3Å; A119-D123 PolarHBondContact O-N 3.13Å; L120-D123 PolarHBondContact O-N 3.39Å; D123-F127 WeakPolarHBondContact O-CB 3.46Å; D123-F127 PolarHBondContact O-N 2.91Å; D123-F127 VanDerWaalsContact O-N 3.08Å; D123-W160 HydrophobicContact CB-CH2 3.89Å; D123-W160 HydrophobicContact CB-CZ2 3.89Å; D123-K164 IonicContact OD2-NZ 2.76Å; D123-K164 PolarHBondContact OD2-NZ 2.82Å |
| 124 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.7 | -39.6 | 176 | 168 | 0 | 0 | 0 | 0 | 111.7 | I110 L120 Q121 K122 D126 F127 L128 L147 I149 L157 W160 | I110-V124 HydrophobicContact CD1-CG2 4.38Å; L120-V124 HydrophobicContact CD1-CG2 4.03Å; L120-V124 HydrophobicContact CG-CG2 4.34Å; L120-V124 WeakPolarHBondContact O-CB 3.26Å; L120-V124 VanDerWaalsContact O-CG2 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 2.84Å; Q121-V124 PolarHBondContact O-N 3.16Å; K122-V124 VanDerWaalsContact C-N 3.25Å; K122-V124 PolarHBondContact O-N 2.75Å; V124-D126 VanDerWaalsContact C-N 3.34Å; V124-F127 PolarHBondContact O-N 2.84Å; V124-L128 HydrophobicContact CG1-CD1 3.73Å; V124-L128 HydrophobicContact CG1-CG 4.24Å; V124-L128 WeakPolarHBondContact O-CB 3.23Å; V124-L128 WeakPolarHBondContact O-CG 3.48Å; V124-L128 PolarHBondContact O-N 3.04Å; V124-L147 HydrophobicContact CB-CD2 4.31Å; V124-L147 HydrophobicContact CG1-CD2 4.42Å; V124-L147 HydrophobicContact CG2-CD2 4.15Å; V124-I149 HydrophobicContact CG1-CD1 3.63Å; V124-I149 HydrophobicContact CG1-CG1 4.39Å; V124-L157 HydrophobicContact CG1-CD2 4.06Å; V124-L157 HydrophobicContact CG2-CD2 4.29Å; V124-W160 HydrophobicContact CG2-CH2 3.75Å; V124-W160 HydrophobicContact CG2-CZ3 3.8Å |
| 125 | E | 96.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.8 | -78.6 | 173 | -169.7 | 0 | 0 | 111 | Q121 K122 F127 L128 S129 P136 T138 | Q121-E125 WeakPolarHBondContact CG-OE1 3.44Å; Q121-E125 PolarHBondContact NE2-OE1 2.65Å; Q121-E125 WeakPolarHBondContact O-CB 3.28Å; Q121-E125 WeakPolarHBondContact O-CG 3.17Å; Q121-E125 PolarHBondContact O-N 3.03Å; K122-E125 PolarHBondContact O-N 2.76Å; K122-E125 VanDerWaalsContact O-N 3.13Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 2.99Å; E125-L128 PolarHBondContact O-N 3.05Å; E125-S129 VanDerWaalsContact O-CB 3.22Å; E125-S129 WeakPolarHBondContact O-CB 3.28Å; E125-S129 PolarHBondContact O-N 3.08Å; E125-S129 PolarHBondContact O-OG 3.03Å; E125-P136 HydrophobicContact CB-CG 4.36Å; E125-P136 HydrophobicContact CG-CG 3.84Å; E125-T138 HydrophobicContact CG-CG2 3.98Å; E125-T138 PolarHBondContact OE1-OG1 2.79Å |
| 126 | D | 96.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 61.1 Ų | 61.1 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 176.8 | -70.1 | -22.8 | 0 | 0 | 0 | 111.6 | K122 V124 P130 | K122-D126 PolarHBondContact O-N 2.81Å; V124-D126 VanDerWaalsContact C-N 3.34Å; D126-P130 WeakPolarHBondContact O-CD 3.48Å |
| 127 | F | 96.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 62.4 Ų | 62.4 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 176.4 | 175.8 | -109.1 | 0 | 0 | 0 | 113.3 | D123 V124 E125 L131 E156 L157 W160 | D123-F127 WeakPolarHBondContact O-CB 3.46Å; D123-F127 PolarHBondContact O-N 2.91Å; D123-F127 VanDerWaalsContact O-N 3.08Å; V124-F127 PolarHBondContact O-N 2.84Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 2.99Å; F127-L131 HydrophobicContact CE1-CD1 4.47Å; F127-E156 HydrophobicContact CE1-CB 4.17Å; F127-E156 HydrophobicContact CZ-CB 4.46Å; F127-L157 HydrophobicContact CD1-CD2 4.32Å; F127-W160 HydrophobicContact CB-CZ2 4.5Å; F127-W160 HydrophobicContact CD1-CB 4.49Å; F127-W160 HydrophobicContact CD1-CG 4.22Å; F127-W160 AromaticContact CD2-CD1 3.44Å; F127-W160 VanDerWaalsContact CD2-CD1 3.44Å; F127-W160 HydrophobicContact CD2-CG 4.16Å; F127-W160 AromaticContact CD2-NE1 3.72Å; F127-W160 HydrophobicContact CE1-CB 4.04Å; F127-W160 HydrophobicContact CE1-CG 4.23Å; F127-W160 HydrophobicContact CE2-CB 4.27Å; F127-W160 AromaticContact CE2-CD1 3.61Å; F127-W160 HydrophobicContact CE2-CG 4.17Å; F127-W160 AromaticContact CG-CD1 3.78Å; F127-W160 HydrophobicContact CG-CG 4.19Å; F127-W160 AromaticContact CG-NE1 3.82Å; F127-W160 HydrophobicContact CZ-CB 3.92Å; F127-W160 HydrophobicContact CZ-CG 4.2Å |
| 128 | L | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -87.5 | -22.9 | -174.7 | -66.4 | 179.5 | 0 | 0 | 0 | 113.8 | V124 E125 L131 L132 P136 I149 F153 | V124-L128 HydrophobicContact CG1-CD1 3.73Å; V124-L128 HydrophobicContact CG1-CG 4.24Å; V124-L128 WeakPolarHBondContact O-CB 3.23Å; V124-L128 WeakPolarHBondContact O-CG 3.48Å; V124-L128 PolarHBondContact O-N 3.04Å; E125-L128 PolarHBondContact O-N 3.05Å; L128-L131 HydrophobicContact CD2-CD1 4.16Å; L128-L131 PolarHBondContact O-N 2.92Å; L128-L131 VanDerWaalsContact O-N 3.11Å; L128-L132 HydrophobicContact CB-CD1 4.44Å; L128-L132 PolarHBondContact O-N 3.15Å; L128-L132 VanDerWaalsContact O-N 3.08Å; L128-P136 HydrophobicContact CB-CB 4.48Å; L128-P136 HydrophobicContact CB-CG 4.03Å; L128-P136 HydrophobicContact CD1-CB 4.33Å; L128-P136 HydrophobicContact CD1-CG 4.26Å; L128-I149 HydrophobicContact CD1-CD1 4.42Å; L128-I149 HydrophobicContact CD1-CG2 3.86Å; L128-F153 HydrophobicContact CD1-CD2 3.96Å; L128-F153 HydrophobicContact CD1-CE2 4.38Å; L128-F153 HydrophobicContact CD1-CG 4.26Å; L128-F153 HydrophobicContact CD2-CB 4.15Å; L128-F153 HydrophobicContact CD2-CD1 4.18Å; L128-F153 HydrophobicContact CD2-CG 4.03Å |
| 129 | S | 94.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 62 Ų | 62 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | -178.6 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | E125 L131 L132 G133 | E125-S129 VanDerWaalsContact O-CB 3.22Å; E125-S129 WeakPolarHBondContact O-CB 3.28Å; E125-S129 PolarHBondContact O-N 3.08Å; E125-S129 PolarHBondContact O-OG 3.03Å; S129-L131 VanDerWaalsContact C-N 3.33Å; S129-L131 PolarHBondContact O-N 3.5Å; S129-L132 PolarHBondContact O-N 3Å; S129-G133 WeakPolarHBondContact O-CA 3.48Å; S129-G133 PolarHBondContact O-N 3.03Å |
| 130 | P | 95 | Very high | 95.5 | Very high | 106 Ų | 106 | 62.6 Ų | 62.6 | 69% | 0.688 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.3 | -33.7 | 174.7 | -23.2 | 34.6 | 0 | 0 | 0 | 113.9 | D126 | D126-P130 WeakPolarHBondContact O-CD 3.48Å |
| 131 | L | 91.8 | Very high | 95.5 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.2 | -33.9 | -179.5 | -61.2 | 179.7 | 0 | 0 | 0 | 112.2 | F127 L128 S129 | F127-L131 HydrophobicContact CE1-CD1 4.47Å; L128-L131 HydrophobicContact CD2-CD1 4.16Å; L128-L131 PolarHBondContact O-N 2.92Å; L128-L131 VanDerWaalsContact O-N 3.11Å; S129-L131 VanDerWaalsContact C-N 3.33Å; S129-L131 PolarHBondContact O-N 3.5Å |
| 132 | L | 91.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 70 Ų | 70 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -98.7 | -17 | -175.6 | -67 | 173.2 | 0 | 0 | 0 | 114.2 | L128 S129 K134 P136 F153 | L128-L132 HydrophobicContact CB-CD1 4.44Å; L128-L132 PolarHBondContact O-N 3.15Å; L128-L132 VanDerWaalsContact O-N 3.08Å; S129-L132 PolarHBondContact O-N 3Å; L132-K134 HydrophobicContact CB-CG 4.11Å; L132-K134 PolarHBondContact O-N 3.04Å; L132-P136 HydrophobicContact CD1-CB 4Å; L132-F153 HydrophobicContact CD1-CE1 4.2Å; L132-F153 HydrophobicContact CD1-CE2 4.24Å; L132-F153 HydrophobicContact CD1-CZ 3.61Å; L132-F153 HydrophobicContact CD2-CE1 3.81Å; L132-F153 HydrophobicContact CD2-CZ 3.72Å; L132-F153 HydrophobicContact CG-CE1 4.25Å; L132-F153 HydrophobicContact CG-CZ 4.1Å |
| 133 | G | 92.3 | Very high | 95.4 | Very high | 74 Ų | 74 | 70.6 Ų | 70.6 | 76% | 0.763 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 12.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S129 | S129-G133 WeakPolarHBondContact O-CA 3.48Å; S129-G133 PolarHBondContact O-N 3.03Å |
| 134 | K | 93.4 | Very high | 95.3 | Very high | 144 Ų | 144 | 72.1 Ų | 72.1 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -156 | 157.3 | 179.4 | 64 | -175.1 | 175.4 | -169.7 | 0 | 110.3 | L132 | L132-K134 HydrophobicContact CB-CG 4.11Å; L132-K134 PolarHBondContact O-N 3.04Å |
| 135 | T | 93.4 | Very high | 95.3 | Very high | 105 Ų | 105 | 72.6 Ų | 72.6 | 64% | 0.644 | 42% | 0.415 | S | S | * | . | trans | -63 | 125.9 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 136 | P | 95.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 7% | 0.065 | 41% | 0.409 | C | S | . | . | trans | -66.7 | 148.9 | 178.1 | 30.2 | -36.2 | 0 | 0 | 0 | 110.4 | E125 L128 L132 T138 I149 | E125-P136 HydrophobicContact CB-CG 4.36Å; E125-P136 HydrophobicContact CG-CG 3.84Å; L128-P136 HydrophobicContact CB-CB 4.48Å; L128-P136 HydrophobicContact CB-CG 4.03Å; L128-P136 HydrophobicContact CD1-CB 4.33Å; L128-P136 HydrophobicContact CD1-CG 4.26Å; L132-P136 HydrophobicContact CD1-CB 4Å; P136-T138 HydrophobicContact CG-CG2 4.24Å; P136-T138 PolarHBondContact O-N 3.28Å; P136-I149 HydrophobicContact CB-CG2 4.22Å | ||
| 137 | V | 96.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | trans | -82.4 | 110.8 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | K150 | V137-K150 HydrophobicContact CB-CB 4.12Å; V137-K150 HydrophobicContact CB-CD 4.41Å; V137-K150 PolarHBondContact O-N 3.49Å | ||
| 138 | T | 97.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 153.5 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | Q121 E125 P136 R148 I149 | Q121-T138 HydrophobicContact CG-CG2 4.47Å; Q121-T138 PolarHBondContact NE2-OG1 3.46Å; E125-T138 HydrophobicContact CG-CG2 3.98Å; E125-T138 PolarHBondContact OE1-OG1 2.79Å; P136-T138 HydrophobicContact CG-CG2 4.24Å; P136-T138 PolarHBondContact O-N 3.28Å; T138-R148 CarbonylContact C-O 3.48Å; T138-R148 VanDerWaalsContact CA-O 3.29Å; T138-R148 WeakPolarHBondContact CA-O 3.4Å; T138-I149 HydrophobicContact CG2-CG1 4.27Å |
| 139 | Q | 97.2 | Very high | 95.5 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 118 | 171.8 | 178.3 | -168.3 | 6.6 | 0 | 0 | 108.3 | R148 | Q139-R148 HydrophobicContact CB-CB 4.25Å; Q139-R148 PolarHBondContact N-O 2.68Å; Q139-R148 PolarHBondContact O-N 2.8Å |
| 140 | V | 97.8 | Very high | 95.6 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.9 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 110 | I117 Q121 E142 L147 | I117-V140 HydrophobicContact CB-CG1 4.3Å; I117-V140 HydrophobicContact CD1-CG1 3.96Å; I117-V140 HydrophobicContact CG1-CG1 3.94Å; I117-V140 HydrophobicContact CG2-CG1 3.41Å; I117-V140 VanDerWaalsContact CG2-CG1 3.41Å; Q121-V140 HydrophobicContact CB-CG2 4.05Å; Q121-V140 HydrophobicContact CG-CG2 4.09Å; V140-E142 HydrophobicContact CG1-CG 4.15Å; V140-L147 HydrophobicContact CG2-CD1 3.64Å |
| 141 | N | 97.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 104.4 | 164 | -176.5 | -19.7 | 0 | 0 | 0 | 108.8 | V143 T144 G145 T146 | N141-V143 PolarHBondContact OD1-N 3.5Å; N141-V143 VanDerWaalsContact OD1-N 3.12Å; N141-T144 PolarHBondContact ND2-OG1 3.46Å; N141-T144 VanDerWaalsContact ND2-OG1 3.15Å; N141-T144 PolarHBondContact OD1-N 3.02Å; N141-T144 PolarHBondContact OD1-OG1 2.96Å; N141-G145 WeakPolarHBondContact O-CA 3.08Å; N141-G145 PolarHBondContact O-N 3.19Å; N141-T146 WeakPolarHBondContact CB-OG1 3.49Å; N141-T146 PolarHBondContact N-O 3.1Å; N141-T146 PolarHBondContact O-N 2.94Å |
| 142 | E | 95.2 | Very high | 95.9 | Very high | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -42.3 | -179.5 | -62.5 | -179.4 | 170.2 | 0 | 0 | 111.9 | I117 W118 V140 T144 G145 | I117-E142 HydrophobicContact CG2-CG 3.99Å; W118-E142 WeakPolarHBondContact CZ2-OE1 3.37Å; W118-E142 PolarHBondContact NE1-OE1 2.95Å; V140-E142 HydrophobicContact CG1-CG 4.15Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å; E142-G145 PolarHBondContact O-N 3.19Å |
| 143 | V | 96 | Very high | 96.1 | Very high | 140 Ų | 140 | 65.2 Ų | 65.2 | 85% | 0.848 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -44 | -175.3 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | N141 | N141-V143 PolarHBondContact OD1-N 3.5Å; N141-V143 VanDerWaalsContact OD1-N 3.12Å |
| 144 | T | 95.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 62.2 Ų | 62.2 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.5 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | N141 E142 T146 | N141-T144 PolarHBondContact ND2-OG1 3.46Å; N141-T144 VanDerWaalsContact ND2-OG1 3.15Å; N141-T144 PolarHBondContact OD1-N 3.02Å; N141-T144 PolarHBondContact OD1-OG1 2.96Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å; T144-T146 WeakPolarHBondContact OG1-CG2 3.33Å; T144-T146 PolarHBondContact OG1-OG1 3.01Å; T144-T146 VanDerWaalsContact OG1-OG1 3.05Å |
| 145 | G | 96.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 50.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K112 V113 N141 E142 | K112-G145 PolarHBondContact N-O 2.89Å; V113-G145 PolarHBondContact N-O 3.16Å; V113-G145 VanDerWaalsContact N-O 3.15Å; N141-G145 WeakPolarHBondContact O-CA 3.08Å; N141-G145 PolarHBondContact O-N 3.19Å; E142-G145 PolarHBondContact O-N 3.19Å |
| 146 | T | 97.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.7 | -179.5 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | I110 R111 N141 T144 | I110-T146 VanDerWaalsContact O-CA 3.31Å; I110-T146 WeakPolarHBondContact O-CA 3.28Å; R111-T146 HydrophobicContact CG-CG2 4.24Å; N141-T146 WeakPolarHBondContact CB-OG1 3.49Å; N141-T146 PolarHBondContact N-O 3.1Å; N141-T146 PolarHBondContact O-N 2.94Å; T144-T146 WeakPolarHBondContact OG1-CG2 3.33Å; T144-T146 PolarHBondContact OG1-OG1 3.01Å; T144-T146 VanDerWaalsContact OG1-OG1 3.05Å |
| 147 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123.6 | 172.7 | -177 | 67.9 | 0 | 0 | 0 | 109 | V109 I110 L120 Q121 V124 V140 I149 | V109-L147 WeakPolarHBondContact CA-O 3.42Å; I110-L147 HydrophobicContact CB-CB 4.33Å; I110-L147 HydrophobicContact CD1-CD2 4.34Å; I110-L147 PolarHBondContact N-O 3.44Å; I110-L147 PolarHBondContact O-N 3.41Å; L120-L147 HydrophobicContact CD2-CD2 4.36Å; L120-L147 HydrophobicContact CG-CD2 4.26Å; Q121-L147 HydrophobicContact CB-CD1 4.09Å; Q121-L147 HydrophobicContact CG-CD1 4.14Å; V124-L147 HydrophobicContact CB-CD2 4.31Å; V124-L147 HydrophobicContact CG1-CD2 4.42Å; V124-L147 HydrophobicContact CG2-CD2 4.15Å; V140-L147 HydrophobicContact CG2-CD1 3.64Å; L147-I149 HydrophobicContact CD2-CD1 4.37Å; L147-I149 HydrophobicContact CD2-CG1 4.47Å; L147-I149 HydrophobicContact CG-CG1 4.27Å |
| 148 | R | 97.8 | Very high | 96.5 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136 | 175.7 | -62.6 | 179.5 | 171 | -92.5 | 0.4 | 109.7 | D99 M107 T108 V109 T138 Q139 | D99-R148 IonicContact OD2-CZ 2.72Å; D99-R148 IonicContact OD2-NH1 3.62Å; D99-R148 PolarHBondContact OD2-NH1 3.39Å; M107-R148 PolarHBondContact SD-NH1 3.2Å; T108-R148 WeakPolarHBondContact O-CA 3.24Å; V109-R148 HydrophobicContact CG1-CG 4.19Å; V109-R148 HydrophobicContact CG2-CG 4.14Å; T138-R148 CarbonylContact C-O 3.48Å; T138-R148 VanDerWaalsContact CA-O 3.29Å; T138-R148 WeakPolarHBondContact CA-O 3.4Å; Q139-R148 HydrophobicContact CB-CB 4.25Å; Q139-R148 PolarHBondContact N-O 2.68Å; Q139-R148 PolarHBondContact O-N 2.8Å |
| 149 | I | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.2 | -175.7 | -53.9 | 158 | 0 | 0 | 0 | 108 | M107 T108 I110 V124 L128 P136 T138 L147 G151 F153 L157 | M107-I149 CarbonylContact C-O 3.47Å; M107-I149 WeakPolarHBondContact CA-O 3.38Å; M107-I149 VanDerWaalsContact CB-O 3.28Å; M107-I149 WeakPolarHBondContact CB-O 3.17Å; T108-I149 PolarHBondContact N-O 2.8Å; T108-I149 PolarHBondContact O-N 3.15Å; I110-I149 HydrophobicContact CD1-CD1 4.26Å; V124-I149 HydrophobicContact CG1-CD1 3.63Å; V124-I149 HydrophobicContact CG1-CG1 4.39Å; L128-I149 HydrophobicContact CD1-CD1 4.42Å; L128-I149 HydrophobicContact CD1-CG2 3.86Å; P136-I149 HydrophobicContact CB-CG2 4.22Å; T138-I149 HydrophobicContact CG2-CG1 4.27Å; L147-I149 HydrophobicContact CD2-CD1 4.37Å; L147-I149 HydrophobicContact CD2-CG1 4.47Å; L147-I149 HydrophobicContact CG-CG1 4.27Å; I149-G151 PolarHBondContact O-N 2.83Å; I149-F153 HydrophobicContact CG2-CD2 3.79Å; I149-F153 HydrophobicContact CG2-CE2 3.92Å; I149-L157 HydrophobicContact CD1-CD1 3.53Å |
| 150 | K | 96.3 | Very high | 96.5 | Very high | 142 Ų | 142 | 54 Ų | 54 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 117.9 | 178.9 | -177.6 | 179.2 | 179.3 | -179.9 | 0 | 111.2 | V137 F153 | V137-K150 HydrophobicContact CB-CB 4.12Å; V137-K150 HydrophobicContact CB-CD 4.41Å; V137-K150 PolarHBondContact O-N 3.49Å; K150-F153 VanDerWaalsContact O-CE2 3.26Å; K150-F153 WeakPolarHBondContact O-CE2 3.24Å |
| 151 | G | 95.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 118 | 173.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q106 M107 T108 I149 | Q106-G151 PolarHBondContact O-N 3.02Å; M107-G151 CarbonylContact C-O 3.5Å; M107-G151 VanDerWaalsContact C-O 3.27Å; M107-G151 WeakPolarHBondContact CA-O 3.38Å; T108-G151 PolarHBondContact N-O 3.14Å; T108-G151 VanDerWaalsContact N-O 3.13Å; T108-G151 PolarHBondContact OG1-O 2.97Å; I149-G151 PolarHBondContact O-N 2.83Å |
| 152 | Y | 96.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | trans | -98.8 | 110.1 | 173.7 | -67.4 | -35.3 | 0 | 0 | 0 | 110.6 | R98 I100 Q106 T108 | R98-Y152 HydrophobicContact CB-CD1 4.2Å; R98-Y152 HydrophobicContact CB-CE1 4.03Å; R98-Y152 HydrophobicContact CG-CD1 3.85Å; R98-Y152 HydrophobicContact CG-CE1 4.13Å; I100-Y152 WeakPolarHBondContact CD1-OH 3.45Å; I100-Y152 HydrophobicContact CG1-CE1 4.25Å; I100-Y152 WeakPolarHBondContact CG1-OH 3.31Å; Q106-Y152 HydrophobicContact CB-CD1 4.1Å; Q106-Y152 HydrophobicContact CB-CE1 3.65Å; Q106-Y152 HydrophobicContact CB-CE2 4.19Å; Q106-Y152 VanDerWaalsContact CD-CZ 3.45Å; Q106-Y152 HydrophobicContact CG-CE1 4.02Å; Q106-Y152 HydrophobicContact CG-CE2 3.91Å; Q106-Y152 WeakPolarHBondContact CG-OH 3.41Å; T108-Y152 WeakPolarHBondContact OG1-CA 3.37Å | ||
| 153 | F | 96.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | trans | -134 | 26.7 | 177.8 | -50.4 | -63.7 | 0 | 0 | 0 | 110.3 | T108 L128 L132 I149 K150 Q155 E156 L157 | T108-F153 PolarHBondContact OG1-N 3.18Å; L128-F153 HydrophobicContact CD1-CD2 3.96Å; L128-F153 HydrophobicContact CD1-CE2 4.38Å; L128-F153 HydrophobicContact CD1-CG 4.26Å; L128-F153 HydrophobicContact CD2-CB 4.15Å; L128-F153 HydrophobicContact CD2-CD1 4.18Å; L128-F153 HydrophobicContact CD2-CG 4.03Å; L132-F153 HydrophobicContact CD1-CE1 4.2Å; L132-F153 HydrophobicContact CD1-CE2 4.24Å; L132-F153 HydrophobicContact CD1-CZ 3.61Å; L132-F153 HydrophobicContact CD2-CE1 3.81Å; L132-F153 HydrophobicContact CD2-CZ 3.72Å; L132-F153 HydrophobicContact CG-CE1 4.25Å; L132-F153 HydrophobicContact CG-CZ 4.1Å; I149-F153 HydrophobicContact CG2-CD2 3.79Å; I149-F153 HydrophobicContact CG2-CE2 3.92Å; K150-F153 VanDerWaalsContact O-CE2 3.26Å; K150-F153 WeakPolarHBondContact O-CE2 3.24Å; F153-Q155 PolarHBondContact O-N 2.98Å; F153-E156 VanDerWaalsContact CD1-OE2 3.24Å; F153-E156 WeakPolarHBondContact CD1-OE2 2.97Å; F153-L157 HydrophobicContact CB-CD1 3.85Å; F153-L157 HydrophobicContact CB-CG 4.05Å; F153-L157 WeakPolarHBondContact O-CB 3.45Å; F153-L157 WeakPolarHBondContact O-CD1 3.38Å; F153-L157 WeakPolarHBondContact O-CG 3.42Å; F153-L157 PolarHBondContact O-N 3.07Å | ||
| 154 | D | 95 | Very high | 96.1 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | -171.8 | 64.2 | -53.5 | 0 | 0 | 0 | 112.9 | V96 R98 T108 K158 | V96-D154 HydrophobicContact CG1-CB 4.11Å; R98-D154 HydrophobicContact CG-CB 3.93Å; R98-D154 IonicContact CZ-OD1 3.14Å; R98-D154 IonicContact CZ-OD2 3.39Å; R98-D154 IonicContact NE-OD1 2.8Å; R98-D154 PolarHBondContact NE-OD1 3.43Å; R98-D154 IonicContact NE-OD2 3.15Å; R98-D154 PolarHBondContact NE-OD2 3.28Å; R98-D154 VanDerWaalsContact NE-OD2 3.15Å; R98-D154 VanDerWaalsContact NH2-CG 3.3Å; R98-D154 IonicContact NH2-OD1 2.68Å; R98-D154 PolarHBondContact NH2-OD1 3.28Å; R98-D154 IonicContact NH2-OD2 3.2Å; R98-D154 PolarHBondContact NH2-OD2 2.99Å; T108-D154 HydrophobicContact CG2-CB 4.37Å; D154-K158 VanDerWaalsContact O-CB 3.28Å; D154-K158 WeakPolarHBondContact O-CB 3.47Å; D154-K158 WeakPolarHBondContact O-CD 3.41Å; D154-K158 WeakPolarHBondContact O-CG 3.43Å; D154-K158 PolarHBondContact O-N 3.18Å |
| 155 | Q | 95.6 | Very high | 96 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -73.5 | -44.1 | -179.2 | -59.1 | -58.6 | -34.9 | 0 | 0 | 111 | F153 K158 A159 | F153-Q155 PolarHBondContact O-N 2.98Å; Q155-K158 PolarHBondContact O-N 3.39Å; Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.05Å |
| 156 | E | 96.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 177.9 | -63.6 | 161.1 | -165.9 | 0 | 0 | 111 | F127 F153 K158 A159 W160 | F127-E156 HydrophobicContact CE1-CB 4.17Å; F127-E156 HydrophobicContact CZ-CB 4.46Å; F153-E156 VanDerWaalsContact CD1-OE2 3.24Å; F153-E156 WeakPolarHBondContact CD1-OE2 2.97Å; E156-K158 PolarHBondContact O-N 3.21Å; E156-A159 PolarHBondContact O-N 3.13Å; E156-W160 VanDerWaalsContact O-CB 3.32Å; E156-W160 WeakPolarHBondContact O-CB 3.29Å; E156-W160 PolarHBondContact O-N 2.88Å |
| 157 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.6 | -32.6 | 178.1 | -67.5 | 168.5 | 0 | 0 | 0 | 112.5 | V96 T108 I110 V124 F127 I149 F153 L161 | V96-L157 HydrophobicContact CG1-CB 4.19Å; V96-L157 HydrophobicContact CG2-CB 4.4Å; T108-L157 HydrophobicContact CG2-CD1 3.82Å; I110-L157 HydrophobicContact CD1-CD1 4.27Å; V124-L157 HydrophobicContact CG1-CD2 4.06Å; V124-L157 HydrophobicContact CG2-CD2 4.29Å; F127-L157 HydrophobicContact CD1-CD2 4.32Å; I149-L157 HydrophobicContact CD1-CD1 3.53Å; F153-L157 HydrophobicContact CB-CD1 3.85Å; F153-L157 HydrophobicContact CB-CG 4.05Å; F153-L157 WeakPolarHBondContact O-CB 3.45Å; F153-L157 WeakPolarHBondContact O-CD1 3.38Å; F153-L157 WeakPolarHBondContact O-CG 3.42Å; F153-L157 PolarHBondContact O-N 3.07Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.05Å |
| 158 | K | 96.4 | Very high | 95.6 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -49 | 172.9 | -80.2 | 169.3 | -174.9 | 172 | 0 | 111 | V94 V96 D154 Q155 E156 W160 L161 L162 | V94-K158 HydrophobicContact CB-CG 4.44Å; V94-K158 HydrophobicContact CG1-CG 4.47Å; V96-K158 HydrophobicContact CB-CG 3.89Å; V96-K158 HydrophobicContact CG1-CG 4.31Å; V96-K158 HydrophobicContact CG2-CG 4.21Å; V96-K158 WeakPolarHBondContact O-CE 3.19Å; D154-K158 VanDerWaalsContact O-CB 3.28Å; D154-K158 WeakPolarHBondContact O-CB 3.47Å; D154-K158 WeakPolarHBondContact O-CD 3.41Å; D154-K158 WeakPolarHBondContact O-CG 3.43Å; D154-K158 PolarHBondContact O-N 3.18Å; Q155-K158 PolarHBondContact O-N 3.39Å; E156-K158 PolarHBondContact O-N 3.21Å; K158-W160 VanDerWaalsContact C-N 3.34Å; K158-W160 PolarHBondContact O-N 2.5Å; K158-L161 PolarHBondContact O-N 3.01Å; K158-L162 WeakPolarHBondContact O-CB 3.21Å; K158-L162 VanDerWaalsContact O-CG 3.23Å; K158-L162 WeakPolarHBondContact O-CG 3.31Å; K158-L162 PolarHBondContact O-N 2.83Å |
| 159 | A | 96.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 37% | 0.372 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59 | -47.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q155 E156 L161 L162 E163 | Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.05Å; E156-A159 PolarHBondContact O-N 3.13Å; A159-L161 PolarHBondContact O-N 2.83Å; A159-L162 WeakPolarHBondContact O-CB 3.22Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-L162 VanDerWaalsContact O-N 3.16Å; A159-E163 WeakPolarHBondContact O-CG 3.18Å; A159-E163 PolarHBondContact O-N 2.87Å |
| 160 | W | 96.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 179.1 | 180 | 81.1 | 0 | 0 | 0 | 113.8 | L120 D123 V124 F127 E156 K158 L162 E163 K164 | L120-W160 HydrophobicContact CD1-CH2 4.03Å; L120-W160 HydrophobicContact CD1-CZ3 3.96Å; D123-W160 HydrophobicContact CB-CH2 3.89Å; D123-W160 HydrophobicContact CB-CZ2 3.89Å; V124-W160 HydrophobicContact CG2-CH2 3.75Å; V124-W160 HydrophobicContact CG2-CZ3 3.8Å; F127-W160 HydrophobicContact CB-CZ2 4.5Å; F127-W160 HydrophobicContact CD1-CB 4.49Å; F127-W160 HydrophobicContact CD1-CG 4.22Å; F127-W160 AromaticContact CD2-CD1 3.44Å; F127-W160 VanDerWaalsContact CD2-CD1 3.44Å; F127-W160 HydrophobicContact CD2-CG 4.16Å; F127-W160 AromaticContact CD2-NE1 3.72Å; F127-W160 HydrophobicContact CE1-CB 4.04Å; F127-W160 HydrophobicContact CE1-CG 4.23Å; F127-W160 HydrophobicContact CE2-CB 4.27Å; F127-W160 AromaticContact CE2-CD1 3.61Å; F127-W160 HydrophobicContact CE2-CG 4.17Å; F127-W160 AromaticContact CG-CD1 3.78Å; F127-W160 HydrophobicContact CG-CG 4.19Å; F127-W160 AromaticContact CG-NE1 3.82Å; F127-W160 HydrophobicContact CZ-CB 3.92Å; F127-W160 HydrophobicContact CZ-CG 4.2Å; E156-W160 VanDerWaalsContact O-CB 3.32Å; E156-W160 WeakPolarHBondContact O-CB 3.29Å; E156-W160 PolarHBondContact O-N 2.88Å; K158-W160 VanDerWaalsContact C-N 3.34Å; K158-W160 PolarHBondContact O-N 2.5Å; W160-L162 VanDerWaalsContact C-N 3.34Å; W160-E163 PolarHBondContact O-N 2.99Å; W160-K164 HydrophobicContact CH2-CD 4.19Å; W160-K164 HydrophobicContact CZ2-CD 4.14Å; W160-K164 HydrophobicContact CZ3-CD 4.42Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 175.4 | -74.1 | 174.1 | 0 | 0 | 0 | 112.1 | V86 V94 V96 L157 K158 A159 K164 G165 F166 | V86-L161 HydrophobicContact CG1-CD1 4.44Å; V86-L161 HydrophobicContact CG2-CD2 4.04Å; V94-L161 HydrophobicContact CG1-CB 4Å; V94-L161 HydrophobicContact CG1-CD1 3.52Å; V94-L161 HydrophobicContact CG1-CG 4.42Å; V96-L161 HydrophobicContact CG2-CD1 3.58Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.05Å; K158-L161 PolarHBondContact O-N 3.01Å; A159-L161 PolarHBondContact O-N 2.83Å; L161-K164 PolarHBondContact O-N 2.94Å; L161-G165 PolarHBondContact O-N 2.83Å; L161-F166 HydrophobicContact CD2-CD2 3.82Å; L161-F166 HydrophobicContact CD2-CE2 4.4Å; L161-F166 PolarHBondContact O-N 3.47Å; L161-F166 VanDerWaalsContact O-N 3.12Å |
| 162 | L | 95 | Very high | 95.3 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 174.6 | -71.3 | 172.2 | 0 | 0 | 0 | 111.6 | Q73 R88 V94 K158 A159 W160 K164 G165 | Q73-L162 HydrophobicContact CB-CD2 4.31Å; R88-L162 VanDerWaalsContact NH2-CD2 3.31Å; V94-L162 HydrophobicContact CG2-CD2 3.78Å; V94-L162 HydrophobicContact CG2-CG 4.1Å; K158-L162 WeakPolarHBondContact O-CB 3.21Å; K158-L162 VanDerWaalsContact O-CG 3.23Å; K158-L162 WeakPolarHBondContact O-CG 3.31Å; K158-L162 PolarHBondContact O-N 2.83Å; A159-L162 WeakPolarHBondContact O-CB 3.22Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-L162 VanDerWaalsContact O-N 3.16Å; W160-L162 VanDerWaalsContact C-N 3.34Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.86Å; L162-G165 WeakPolarHBondContact O-CA 3.25Å; L162-G165 PolarHBondContact O-N 3.25Å |
| 163 | E | 94.5 | Very high | 95.2 | Very high | 150 Ų | 150 | 43.9 Ų | 43.9 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.7 | -39.5 | 174.8 | -74.2 | 172.7 | -172.5 | 0 | 0 | 112.1 | A159 W160 G165 | A159-E163 WeakPolarHBondContact O-CG 3.18Å; A159-E163 PolarHBondContact O-N 2.87Å; W160-E163 PolarHBondContact O-N 2.99Å; E163-G165 PolarHBondContact O-N 3.48Å |
| 164 | K | 93.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.1 | -16.1 | 172.3 | -72.5 | -165.9 | -177 | -119.3 | 0 | 113.5 | L82 Y84 D123 W160 L161 L162 F166 | L82-K164 HydrophobicContact CD1-CD 4.16Å; Y84-K164 PolarHBondContact OH-NZ 3.15Å; D123-K164 IonicContact OD2-NZ 2.76Å; D123-K164 PolarHBondContact OD2-NZ 2.82Å; W160-K164 HydrophobicContact CH2-CD 4.19Å; W160-K164 HydrophobicContact CZ2-CD 4.14Å; W160-K164 HydrophobicContact CZ3-CD 4.42Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.08Å; L161-K164 PolarHBondContact O-N 2.94Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.86Å; K164-F166 HydrophobicContact CB-CD2 3.68Å; K164-F166 HydrophobicContact CB-CE2 3.72Å; K164-F166 HydrophobicContact CD-CD2 4.43Å; K164-F166 HydrophobicContact CD-CE2 3.83Å; K164-F166 HydrophobicContact CG-CE2 4.43Å |
| 165 | G | 92.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 19.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R76 L161 L162 E163 | R76-G165 PolarHBondContact N-O 3.37Å; L161-G165 PolarHBondContact O-N 2.83Å; L162-G165 WeakPolarHBondContact O-CA 3.25Å; L162-G165 PolarHBondContact O-N 3.25Å; E163-G165 PolarHBondContact O-N 3.48Å |
| 166 | F | 92.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | trans | -80.8 | 0 | 175.7 | -65.7 | -64 | 0 | 0 | 0 | 113.1 | P80 L82 Y84 F85 V86 R88 L161 K164 | P80-F166 HydrophobicContact CG-CD1 3.81Å; P80-F166 HydrophobicContact CG-CE1 3.34Å; P80-F166 HydrophobicContact CG-CZ 3.78Å; L82-F166 HydrophobicContact CB-CZ 4.41Å; L82-F166 HydrophobicContact CD1-CE2 3.87Å; L82-F166 HydrophobicContact CD1-CZ 3.49Å; L82-F166 VanDerWaalsContact CD1-CZ 3.49Å; Y84-F166 HydrophobicContact CD2-CE2 4.38Å; Y84-F166 AromaticContact CD2-CZ 3.95Å; Y84-F166 HydrophobicContact CD2-CZ 3.95Å; Y84-F166 AromaticContact CE2-CE2 3.72Å; Y84-F166 HydrophobicContact CE2-CE2 3.72Å; Y84-F166 AromaticContact CE2-CZ 3.67Å; Y84-F166 HydrophobicContact CE2-CZ 3.67Å; F85-F166 HydrophobicContact CB-CE1 4.49Å; F85-F166 AromaticContact CD2-CD1 3.72Å; F85-F166 HydrophobicContact CD2-CD1 3.72Å; F85-F166 AromaticContact CD2-CE1 3.66Å; F85-F166 HydrophobicContact CD2-CE1 3.66Å; F85-F166 AromaticContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CE1 4.25Å; F85-F166 HydrophobicContact CG-CD1 4.48Å; F85-F166 HydrophobicContact CG-CE1 4.37Å; V86-F166 HydrophobicContact CB-CB 4.19Å; V86-F166 HydrophobicContact CB-CD1 4.4Å; V86-F166 HydrophobicContact CB-CG 4.18Å; R88-F166 VanDerWaalsContact NE-C 3.29Å; R88-F166 PolarHBondContact NE-O 2.88Å; R88-F166 PolarHBondContact NE-OXT 2.8Å; R88-F166 PolarHBondContact NH2-O 3.02Å; L161-F166 HydrophobicContact CD2-CD2 3.82Å; L161-F166 HydrophobicContact CD2-CE2 4.4Å; L161-F166 PolarHBondContact O-N 3.47Å; L161-F166 VanDerWaalsContact O-N 3.12Å; K164-F166 HydrophobicContact CB-CD2 3.68Å; K164-F166 HydrophobicContact CB-CE2 3.72Å; K164-F166 HydrophobicContact CD-CD2 4.43Å; K164-F166 HydrophobicContact CD-CE2 3.83Å; K164-F166 HydrophobicContact CG-CE2 4.43Å |
Retrieved 166 of 166 residues in 69.8 ms
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