| 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 | 52.6 | Low | 57.5 | Low | 232 Ų | 232 | 149.9 Ų | 149.9 | 100% | 1.143 | 83% | 0.827 | S | S | * | * | 0 | 98.4 | 0 | -72.9 | -60.7 | 172.8 | 0 | 0 | 109.9 | |||||
| 2 | P | 66.7 | Low | 56.8 | Low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -119.9 | 120.4 | 156.9 | 33.5 | -20.1 | 0 | 0 | 0 | 110.1 | ||||
| 3 | S | 61.9 | Low | 56.3 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -111.1 | 107.5 | 177.5 | -73.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | T | 65.2 | Low | 56.3 | Low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | 59.8 | 106 | 119.9 | -52.5 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 5 | A | 60.3 | Low | 56 | Low | 95 Ų | 95 | 143.5 Ų | 143.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 68 | 131.2 | 134.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 6 | M | 51.3 | Low | 55.3 | Low | 167 Ų | 167 | 145.4 Ų | 145.4 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -81.4 | 125.9 | 169.5 | -65 | 170.7 | 167.1 | 0 | 0 | 109.9 | ||||
| 7 | S | 61.2 | Low | 55.1 | Low | 88 Ų | 88 | 147.8 Ų | 147.8 | 62% | 0.615 | 83% | 0.825 | S | S | * | * | trans | -70.7 | 139.4 | 163.9 | 145.9 | 0 | 0 | 0 | 0 | 109.3 | D9 | S7-D9 PolarHBondContact OG-N 3.34Å; S7-D9 PolarHBondContact OG-OD2 3.25Å | ||
| 8 | W | 56.4 | Low | 55 | Low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -115 | 65.8 | 168.8 | -73.4 | 86.4 | 0 | 0 | 0 | 108.8 | ||||
| 9 | D | 54 | Low | 54.9 | Low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -94.1 | 129.5 | 171.5 | -77.6 | -71.7 | 0 | 0 | 0 | 110.9 | S7 | S7-D9 PolarHBondContact OG-N 3.34Å; S7-D9 PolarHBondContact OG-OD2 3.25Å | ||
| 10 | G | 50.1 | Low | 54.6 | Low | 64 Ų | 64 | 144.9 Ų | 144.9 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | 96.1 | 70.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 11 | Y | 53.2 | Low | 54.7 | Low | 243 Ų | 243 | 142.5 Ų | 142.5 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | -129.4 | 115.1 | 139.1 | -93.5 | -79.9 | 0 | 0 | 0 | 110 | ||||
| 12 | G | 48.6 | Very low | 54.5 | Low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -74.1 | 144.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q14 | G12-Q14 PolarHBondContact O-N 2.77Š| ||
| 13 | A | 50.4 | Low | 54 | Low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -69.3 | 95.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | Q | 56.4 | Low | 53.4 | Low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -151.7 | 69.8 | 168.5 | -64.4 | -64.3 | 13.7 | 0 | 0 | 110.5 | G12 | G12-Q14 PolarHBondContact O-N 2.77Š| ||
| 15 | I | 52 | Low | 52.8 | Low | 163 Ų | 163 | 146 Ų | 146 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -127.1 | 96.5 | 172.4 | -58.7 | -175.1 | 0 | 0 | 0 | 110.7 | ||||
| 16 | F | 44.5 | Very low | 52.5 | Low | 174 Ų | 174 | 147.5 Ų | 147.5 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 24.1 | 99.5 | 147.2 | -71.8 | -96.9 | 0 | 0 | 0 | 118.5 | A18 | F16-A18 VanDerWaalsContact C-N 3.34Š| ||
| 17 | L | 52 | Low | 52.7 | Low | 186 Ų | 186 | 144.3 Ų | 144.3 | 97% | 0.974 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -94.2 | 20.1 | 164.6 | -157.5 | 72.8 | 0 | 0 | 0 | 112.6 | ||
| 18 | A | 53.7 | Low | 52.1 | Low | 75 Ų | 75 | 146.2 Ų | 146.2 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -122.9 | -7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | F16 | F16-A18 VanDerWaalsContact C-N 3.34Š|
| 19 | D | 52.2 | Low | 51.8 | Low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -112.5 | 18.3 | -164.7 | -158.5 | 37.9 | 0 | 0 | 0 | 114.8 | ||
| 20 | M | 49.8 | Very low | 51.8 | Low | 183 Ų | 183 | 137.4 Ų | 137.4 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -106.1 | 5.4 | 177.9 | -73.7 | -88.2 | 76.4 | 0 | 0 | 114.3 | ||
| 21 | S | 56.2 | Low | 52 | Low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -100.6 | 3.3 | -170.8 | -59 | 0 | 0 | 0 | 0 | 115.9 | ||
| 22 | F | 47.8 | Very low | 51.6 | Low | 167 Ų | 167 | 137.2 Ų | 137.2 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -121.7 | 9.5 | -164.3 | -89.7 | -76.4 | 0 | 0 | 0 | 118 | ||
| 23 | H | 57.8 | Low | 52 | Low | 181 Ų | 181 | 140.4 Ų | 140.4 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -139.3 | 25.5 | -176.7 | -83 | -23.5 | 0 | 0 | 0 | 116.8 | ||
| 24 | H | 48.9 | Very low | 52 | Low | 158 Ų | 158 | 144.2 Ų | 144.2 | 73% | 0.731 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -123.8 | -2.9 | 175.1 | -156.4 | 55.5 | 0 | 0 | 0 | 115.8 | ||
| 25 | Q | 51.2 | Low | 51.9 | Low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -87 | -35 | -175.2 | -140.2 | 109 | 44.9 | 0 | 0 | 112.8 | T27 | Q25-T27 PolarHBondContact O-N 2.71Š|
| 26 | D | 54 | Low | 51.7 | Low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 0.3 | -168.3 | -52.2 | -84 | 0 | 0 | 0 | 115.8 | ||
| 27 | T | 56.4 | Low | 51.5 | Low | 100 Ų | 100 | 139.4 Ų | 139.4 | 61% | 0.613 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -12.1 | -175.1 | -53 | 0 | 0 | 0 | 0 | 113.9 | Q25 | Q25-T27 PolarHBondContact O-N 2.71Š|
| 28 | L | 48.9 | Very low | 51 | Low | 127 Ų | 127 | 137.3 Ų | 137.3 | 67% | 0.665 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -21.9 | -178.7 | -64.1 | -179.1 | 0 | 0 | 0 | 114.2 | A30 | L28-A30 VanDerWaalsContact C-N 3.34Š|
| 29 | E | 50.3 | Low | 50.3 | Low | 129 Ų | 129 | 139.7 Ų | 139.7 | 60% | 0.603 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -69.4 | -29.4 | 173 | -77 | -63.5 | 133.3 | 0 | 0 | 113 | V31 Q33 | E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 2.78Å; E29-Q33 PolarHBondContact OE2-NE2 3.21Å |
| 30 | A | 53.5 | Low | 49.8 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -76.9 | -2.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L28 | L28-A30 VanDerWaalsContact C-N 3.34Š|
| 31 | V | 54.1 | Low | 49.6 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -107.9 | -19.2 | -176.8 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | E29 | E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 2.78Å |
| 32 | F | 46.1 | Very low | 48.8 | Very low | 185 Ų | 185 | 143 Ų | 143 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -10.4 | -178 | -99.5 | -86.3 | 0 | 0 | 0 | 114.9 | Q34 | F32-Q34 PolarHBondContact O-N 3.29Å; F32-Q34 VanDerWaalsContact O-N 3.08Å |
| 33 | Q | 56.8 | Low | 48.3 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -86.6 | 76.4 | -178.9 | -63.9 | 174.4 | 14.9 | 0 | 0 | 110.9 | E29 P35 | E29-Q33 PolarHBondContact OE2-NE2 3.21Å; Q33-P35 WeakPolarHBondContact O-CD 3.25Å | ||
| 34 | Q | 49.4 | Very low | 47.8 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -78.4 | 115.8 | 163.2 | -66 | -167.9 | -60.4 | 0 | 0 | 109.3 | F32 A36 | F32-Q34 PolarHBondContact O-N 3.29Å; F32-Q34 VanDerWaalsContact O-N 3.08Å; Q34-A36 PolarHBondContact O-N 3.24Å | ||
| 35 | P | 53.8 | Low | 47.5 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -78.3 | 112.6 | 174.4 | -8.9 | 27.3 | 0 | 0 | 0 | 109.2 | Q33 | Q33-P35 WeakPolarHBondContact O-CD 3.25Š| ||
| 36 | A | 47.7 | Very low | 47.2 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -74.2 | 133.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q34 | Q34-A36 PolarHBondContact O-N 3.24Š| ||
| 37 | E | 40.1 | Very low | 46.9 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | 11.3 | 115.9 | 155.1 | -51.6 | -172.7 | 161.3 | 0 | 0 | 118.8 | ||||
| 38 | T | 43.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -151.5 | 120.4 | 138.1 | -70.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 39 | T | 37.3 | Very low | 46.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -64 | 133.4 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 40 | L | 42.9 | Very low | 46.3 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -175.7 | 116.6 | 132.8 | -99.5 | -179.6 | 0 | 0 | 0 | 113.5 | ||||
| 41 | L | 44.8 | Very low | 45.9 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | 41.1 | 138.6 | 144.6 | -59.2 | 177.2 | 0 | 0 | 0 | 124 | ||||
| 42 | Q | 40.2 | Very low | 45.5 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 102.2 | 113.6 | 139.5 | -143.4 | 68.8 | 8 | 0 | 0 | 119.2 | ||||
| 43 | A | 37 | Very low | 45.4 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -109.8 | -172.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 44 | P | 47.6 | Very low | 44.8 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -142 | -168.3 | -0 | 42.4 | -22.6 | 0 | 0 | 0 | 115.7 | ||||
| 45 | A | 42.5 | Very low | 44.7 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | 83.1 | 144.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 46 | G | 44.1 | Very low | 44.7 | Very low | 60 Ų | 60 | 129.9 Ų | 129.9 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | 115.8 | 89.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 47 | E | 48.7 | Very low | 44.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | 89.6 | 142 | 58.3 | 87.7 | -179.7 | 91.1 | 0 | 0 | 115.1 | |||||
| 48 | K | 49.8 | Very low | 45.2 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 83.3 | 144.7 | -178.4 | -53.4 | 142.6 | -173.4 | 167.7 | 0 | 117 | ||||
| 49 | E | 38.9 | Very low | 45.9 | Very low | 182 Ų | 182 | 128 Ų | 128 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | cis | -158.9 | 173.1 | -25.2 | -103.1 | -141.5 | 92 | 0 | 0 | 110.3 | ||||
| 50 | L | 53.3 | Low | 46.2 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -64.7 | -171.3 | 179.6 | -123.8 | 63.7 | 0 | 0 | 0 | 114.2 | ||||
| 51 | P | 46.8 | Very low | 46.2 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | -144.4 | 178.9 | -12.2 | 38.6 | -18.4 | 0 | 0 | 0 | 118.5 | ||||
| 52 | S | 45.2 | Very low | 46.3 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | 102.1 | 143.6 | 131.6 | 76.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 53 | N | 42.8 | Very low | 46.4 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | 76.1 | 122.3 | 163.5 | -54.8 | -26.7 | 0 | 0 | 0 | 118.9 | ||||
| 54 | G | 44 | Very low | 47 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | cis | -178.6 | 153.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 55 | S | 48.2 | Very low | 47 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 50 | 122.7 | 160.8 | -57 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 56 | P | 54.6 | Low | 47.3 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -114.6 | -172.8 | 119.8 | 40.4 | -33.7 | 0 | 0 | 0 | 109.8 | |||||
| 57 | P | 50.5 | Low | 47.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -127.9 | -159.7 | -6.2 | 42 | -24 | 0 | 0 | 0 | 112.6 | ||||
| 58 | V | 46.2 | Very low | 48.2 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | 140.4 | 110.1 | 146.5 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | V | 59.6 | Low | 48.8 | Very low | 145 Ų | 145 | 121 Ų | 121 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -151.6 | 137.2 | 140.9 | -81.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 60 | D | 43.4 | Very low | 50 | Low | 151 Ų | 151 | 119.6 Ų | 119.6 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -76.8 | 150 | -179.7 | -49.9 | -100.9 | 0 | 0 | 0 | 112.4 | ||||
| 61 | D | 42.4 | Very low | 50.5 | Low | 160 Ų | 160 | 123 Ų | 123 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | 174 | 167.5 | 107.5 | -167.1 | -137.3 | 0 | 0 | 0 | 111 | |||||
| 62 | A | 45.7 | Very low | 51 | Low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 151.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 63 | G | 42.3 | Very low | 52 | Low | 63 Ų | 63 | 133.2 Ų | 133.2 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | 133.1 | 122.9 | 126.1 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 64 | V | 51.4 | Low | 53.3 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 70.2 | 108 | 126.4 | -177.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 65 | Q | 47.5 | Very low | 54.4 | Low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 68 | 149.3 | 153.1 | -65.8 | 177.8 | 99.5 | 0 | 0 | 117.9 | ||||
| 66 | A | 47.5 | Very low | 55.4 | Low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | cis | 178.8 | 139.7 | -18.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | A68 | A66-A68 PolarHBondContact O-N 3.43Š| ||
| 67 | A | 52.4 | Low | 56.5 | Low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | 21.7 | 88.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | V69 | A67-V69 PolarHBondContact O-N 2.82Š| ||
| 68 | A | 59 | Low | 57.9 | Low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -67.9 | 77.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A66 L70 | A66-A68 PolarHBondContact O-N 3.43Å; A68-L70 PolarHBondContact O-N 2.79Å | ||
| 69 | V | 63.6 | Low | 59.7 | Low | 116 Ų | 116 | 143.5 Ų | 143.5 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -54.3 | 124.7 | 172.4 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | A67 R71 | A67-V69 PolarHBondContact O-N 2.82Å; V69-R71 PolarHBondContact O-N 2.82Å | ||
| 70 | L | 64.6 | Low | 61 | Low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -66.3 | 79.7 | -179.7 | -141.7 | 83.5 | 0 | 0 | 0 | 110 | A68 K72 | A68-L70 PolarHBondContact O-N 2.79Å; L70-K72 PolarHBondContact O-N 3.17Å | ||
| 71 | R | 62.5 | Low | 63.3 | Low | 223 Ų | 223 | 136.2 Ų | 136.2 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | trans | -65.2 | 89.9 | 172.7 | -71.4 | -175.4 | -177.6 | 153 | 2.7 | 107.5 | V69 R73 | V69-R71 PolarHBondContact O-N 2.82Å; R71-R73 VanDerWaalsContact C-N 3.29Å; R71-R73 PolarHBondContact O-N 3.08Å | ||
| 72 | K | 58.7 | Low | 65.7 | Low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -52.3 | 96.9 | 168.9 | -75.4 | 163.8 | 179 | 171.3 | 0 | 106.9 | L70 | L70-K72 PolarHBondContact O-N 3.17Š| ||
| 73 | R | 66.3 | Low | 68 | Low | 226 Ų | 226 | 132.2 Ų | 132.2 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | trans | -53.1 | 136.4 | 178.2 | -65.9 | 178.3 | 176.6 | -178.7 | -2 | 106.6 | R71 F75 | R71-R73 VanDerWaalsContact C-N 3.29Å; R71-R73 PolarHBondContact O-N 3.08Å; R73-F75 PolarHBondContact O-N 3.29Å | ||
| 74 | P | 69.1 | Low | 70.5 | Confident | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | -56.1 | 108.8 | 174.3 | 23.6 | -32.5 | 0 | 0 | 0 | 107.1 | R76 | P74-R76 PolarHBondContact O-N 2.98Å; P74-R76 VanDerWaalsContact O-N 3.11Å | ||
| 75 | F | 66.5 | Low | 72.6 | Confident | 173 Ų | 173 | 137.1 Ų | 137.1 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | trans | -60.3 | 121.5 | -177.4 | 51.8 | -83.9 | 0 | 0 | 0 | 106.1 | R73 T77 | R73-F75 PolarHBondContact O-N 3.29Å; F75-T77 WeakPolarHBondContact CD2-OG1 3.34Å; F75-T77 VanDerWaalsContact CE2-OG1 3.25Å; F75-T77 WeakPolarHBondContact CE2-OG1 3.33Å; F75-T77 PolarHBondContact O-N 3.47Å; F75-T77 PolarHBondContact O-OG1 3.11Å | ||
| 76 | R | 69.9 | Low | 75 | Confident | 249 Ų | 249 | 134.1 Ų | 134.1 | 94% | 0.94 | 68% | 0.675 | S | S | * | * | trans | -69.9 | 85.6 | -178.7 | -72.9 | -171.3 | 178.8 | -102.6 | 3.6 | 107.7 | P74 D78 | P74-R76 PolarHBondContact O-N 2.98Å; P74-R76 VanDerWaalsContact O-N 3.11Å; R76-D78 PolarHBondContact O-N 3.44Å; R76-D78 VanDerWaalsContact O-N 3.09Å | ||
| 77 | T | 77.1 | Confident | 77.3 | Confident | 83 Ų | 83 | 138 Ų | 138 | 51% | 0.509 | 68% | 0.679 | S | S | . | * | trans | -58.9 | 115.5 | 176.6 | -48.9 | 0 | 0 | 0 | 0 | 107.8 | F75 R79 | F75-T77 WeakPolarHBondContact CD2-OG1 3.34Å; F75-T77 VanDerWaalsContact CE2-OG1 3.25Å; F75-T77 WeakPolarHBondContact CE2-OG1 3.33Å; F75-T77 PolarHBondContact O-N 3.47Å; F75-T77 PolarHBondContact O-OG1 3.11Å; T77-R79 HydrophobicContact CG2-CG 4.32Å; T77-R79 PolarHBondContact O-N 2.99Å | ||
| 78 | D | 80.7 | Confident | 79.3 | Confident | 85 Ų | 85 | 135.4 Ų | 135.4 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | trans | -69.6 | 86.2 | 173 | -179.2 | 4.3 | 0 | 0 | 0 | 109.3 | R76 H80 S81 | R76-D78 PolarHBondContact O-N 3.44Å; R76-D78 VanDerWaalsContact O-N 3.09Å; D78-H80 PolarHBondContact O-N 2.74Å; D78-H80 PolarHBondContact OD1-N 2.85Å; D78-S81 PolarHBondContact OD1-N 2.94Å; D78-S81 WeakPolarHBondContact OD2-CB 3.33Å; D78-S81 PolarHBondContact OD2-OG 3.4Å | ||
| 79 | R | 83.7 | Confident | 81 | Confident | 218 Ų | 218 | 135.6 Ų | 135.6 | 82% | 0.823 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -73.8 | -11.5 | 175.3 | -62.9 | -177.7 | -175.2 | -164.2 | 0.7 | 112.1 | T77 | T77-R79 HydrophobicContact CG2-CG 4.32Å; T77-R79 PolarHBondContact O-N 2.99Å |
| 80 | H | 86.8 | Confident | 82.5 | Confident | 133 Ų | 133 | 137 Ų | 137 | 62% | 0.616 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -87.9 | -43.7 | -179.5 | -167.4 | 71.4 | 0 | 0 | 0 | 111.3 | D78 K82 R92 | D78-H80 PolarHBondContact O-N 2.74Å; D78-H80 PolarHBondContact OD1-N 2.85Å; H80-K82 PolarHBondContact O-N 3.26Å; H80-K82 VanDerWaalsContact O-N 3.15Å; H80-R92 PolarHBondContact CD2-NH2 3.09Å; H80-R92 PolarHBondContact CE1-NH2 2.81Å; H80-R92 VanDerWaalsContact CE1-NH2 3.33Å; H80-R92 PolarHBondContact NE2-NH2 3.45Å; H80-R92 PolarHBondContact O-NE 2.86Å; H80-R92 PolarHBondContact O-NH1 3.27Å; H80-R92 PolarHBondContact O-NH2 3.09Å; H80-R92 VanDerWaalsContact O-NH2 3.15Å |
| 81 | S | 91.4 | Very high | 83.9 | Confident | 11 Ų | 11 | 132.5 Ų | 132.5 | 8% | 0.077 | 62% | 0.621 | C | S | . | * | S | Bend | trans | -68.1 | -12.8 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | D78 R92 | D78-S81 PolarHBondContact OD1-N 2.94Å; D78-S81 WeakPolarHBondContact OD2-CB 3.33Å; D78-S81 PolarHBondContact OD2-OG 3.4Å; S81-R92 WeakPolarHBondContact O-CG 3.45Å; S81-R92 PolarHBondContact O-N 3.3Å |
| 82 | K | 93.8 | Very high | 85.4 | Confident | 91 Ų | 91 | 127.5 Ų | 127.5 | 40% | 0.396 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.3 | -173.3 | -54.8 | -54.2 | 177.1 | -171.6 | 0 | 113.7 | H80 V89 R90 D91 | H80-K82 PolarHBondContact O-N 3.26Å; H80-K82 VanDerWaalsContact O-N 3.15Å; K82-V89 HydrophobicContact CB-CG1 3.77Å; K82-V89 HydrophobicContact CD-CG1 4.42Å; K82-V89 HydrophobicContact CG-CG1 4.1Å; K82-R90 CarbonylContact C-O 3.59Å; K82-R90 WeakPolarHBondContact CA-O 3.42Å; K82-D91 IonicContact NZ-OD2 2.68Å; K82-D91 PolarHBondContact NZ-OD2 3.35Å |
| 83 | I | 94.5 | Very high | 87.1 | Confident | 72 Ų | 72 | 128 Ų | 128 | 37% | 0.369 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.3 | 149 | 167.8 | 40.1 | 171.2 | 0 | 0 | 0 | 109.4 | T85 V89 R90 R92 | I83-T85 HydrophobicContact CD1-CG2 4.22Å; I83-V89 CarbonylContact O-C 3.59Å; I83-V89 WeakPolarHBondContact O-CA 3.37Å; I83-R90 HydrophobicContact CD1-CB 4.46Å; I83-R90 HydrophobicContact CG1-CB 4.17Å; I83-R90 WeakPolarHBondContact CG1-O 3.46Å; I83-R90 PolarHBondContact N-O 3.11Å; I83-R90 PolarHBondContact O-N 3.38Å; I83-R92 HydrophobicContact CB-CG 4.13Å; I83-R92 HydrophobicContact CD1-CG 4.4Å; I83-R92 HydrophobicContact CG1-CG 3.87Å; I83-R92 HydrophobicContact CG2-CG 3.54Å |
| 84 | R | 94.7 | Very high | 88.5 | Confident | 230 Ų | 230 | 124.6 Ų | 124.6 | 87% | 0.868 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.1 | 167 | -65.8 | 175.3 | 177.6 | 167.4 | -4 | 107.6 | V89 | R84-V89 HydrophobicContact CG-CG2 4.34Å |
| 85 | T | 95.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 130.3 Ų | 130.3 | 35% | 0.35 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 171.5 | 169.5 | 73.9 | 0 | 0 | 0 | 0 | 108.8 | I83 Q87 G88 | I83-T85 HydrophobicContact CD1-CG2 4.22Å; T85-Q87 PolarHBondContact O-N 3.48Å; T85-Q87 VanDerWaalsContact O-N 3.09Å; T85-Q87 PolarHBondContact OG1-N 3.09Å; T85-G88 PolarHBondContact N-O 3.16Å; T85-G88 PolarHBondContact O-N 3.4Å; T85-G88 PolarHBondContact OG1-O 3.42Å |
| 86 | A | 96.3 | Very high | 91.2 | Very high | 118 Ų | 118 | 125.7 Ų | 125.7 | 98% | 0.975 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -19.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 87 | Q | 96 | Very high | 92.5 | Very high | 164 Ų | 164 | 117.4 Ų | 117.4 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 3.8 | 175.5 | -62.8 | 179 | -29.9 | 0 | 0 | 113.5 | T85 | T85-Q87 PolarHBondContact O-N 3.48Å; T85-Q87 VanDerWaalsContact O-N 3.09Å; T85-Q87 PolarHBondContact OG1-N 3.09Å |
| 88 | G | 94.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 118.7 Ų | 118.7 | 37% | 0.371 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 110.9 | -158.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | T85 | T85-G88 PolarHBondContact N-O 3.16Å; T85-G88 PolarHBondContact O-N 3.4Å; T85-G88 PolarHBondContact OG1-O 3.42Å |
| 89 | V | 94.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 116.5 Ų | 116.5 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 119.9 | -177.3 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | K82 I83 R84 | K82-V89 HydrophobicContact CB-CG1 3.77Å; K82-V89 HydrophobicContact CD-CG1 4.42Å; K82-V89 HydrophobicContact CG-CG1 4.1Å; I83-V89 CarbonylContact O-C 3.59Å; I83-V89 WeakPolarHBondContact O-CA 3.37Å; R84-V89 HydrophobicContact CG-CG2 4.34Å |
| 90 | R | 95 | Very high | 94.9 | Very high | 145 Ų | 145 | 109.6 Ų | 109.6 | 55% | 0.547 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 156.3 | 180 | -169.7 | -174.8 | -82.5 | -118.1 | 4.4 | 111 | K82 I83 | K82-R90 CarbonylContact C-O 3.59Å; K82-R90 WeakPolarHBondContact CA-O 3.42Å; I83-R90 HydrophobicContact CD1-CB 4.46Å; I83-R90 HydrophobicContact CG1-CB 4.17Å; I83-R90 WeakPolarHBondContact CG1-O 3.46Å; I83-R90 PolarHBondContact N-O 3.11Å; I83-R90 PolarHBondContact O-N 3.38Å |
| 91 | D | 94.7 | Very high | 95.4 | Very high | 57 Ų | 57 | 104.3 Ų | 104.3 | 31% | 0.305 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 150.7 | 166.9 | -152.8 | -76.9 | 0 | 0 | 0 | 111.7 | K82 R93 | K82-D91 IonicContact NZ-OD2 2.68Å; K82-D91 PolarHBondContact NZ-OD2 3.35Å; D91-R93 VanDerWaalsContact OD1-CB 3.32Å; D91-R93 WeakPolarHBondContact OD1-CB 3.42Å; D91-R93 VanDerWaalsContact OD1-CG 3.32Å; D91-R93 WeakPolarHBondContact OD1-CG 3.44Å; D91-R93 PolarHBondContact OD1-N 2.87Å |
| 92 | R | 94.6 | Very high | 95.7 | Very high | 118 Ų | 118 | 113.1 Ų | 113.1 | 45% | 0.445 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -88.6 | -9.3 | 176.9 | -62.8 | -171.1 | -33.3 | -171.4 | 0.6 | 114.1 | H80 S81 I83 | H80-R92 PolarHBondContact CD2-NH2 3.09Å; H80-R92 PolarHBondContact CE1-NH2 2.81Å; H80-R92 VanDerWaalsContact CE1-NH2 3.33Å; H80-R92 PolarHBondContact NE2-NH2 3.45Å; H80-R92 PolarHBondContact O-NE 2.86Å; H80-R92 PolarHBondContact O-NH1 3.27Å; H80-R92 PolarHBondContact O-NH2 3.09Å; H80-R92 VanDerWaalsContact O-NH2 3.15Å; S81-R92 WeakPolarHBondContact O-CG 3.45Å; S81-R92 PolarHBondContact O-N 3.3Å; I83-R92 HydrophobicContact CB-CG 4.13Å; I83-R92 HydrophobicContact CD1-CG 4.4Å; I83-R92 HydrophobicContact CG1-CG 3.87Å; I83-R92 HydrophobicContact CG2-CG 3.54Å |
| 93 | R | 94.3 | Very high | 95.9 | Very high | 195 Ų | 195 | 115.8 Ų | 115.8 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | trans | -86.8 | 127.4 | -174.9 | -63.3 | 171.6 | 178.5 | -175.2 | 1.1 | 111 | D91 | D91-R93 VanDerWaalsContact OD1-CB 3.32Å; D91-R93 WeakPolarHBondContact OD1-CB 3.42Å; D91-R93 VanDerWaalsContact OD1-CG 3.32Å; D91-R93 WeakPolarHBondContact OD1-CG 3.44Å; D91-R93 PolarHBondContact OD1-N 2.87Å | ||
| 94 | M | 94.3 | Very high | 96 | Very high | 155 Ų | 155 | 113.7 Ų | 113.7 | 76% | 0.764 | 56% | 0.564 | S | S | * | * | trans | -81.8 | 136.8 | 170.3 | -63.2 | -61.1 | -74.5 | 0 | 0 | 110.1 | L96 | M94-L96 HydrophobicContact CB-CD2 4.3Š| ||
| 95 | R | 96.3 | Very high | 96.1 | Very high | 241 Ų | 241 | 108 Ų | 108 | 91% | 0.909 | 55% | 0.546 | S | S | * | . | trans | -106.7 | 116.4 | 167.1 | -64.1 | 176.9 | 69.8 | 103.9 | -2.2 | 106.9 | ||||
| 96 | L | 96.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 107.3 Ų | 107.3 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | trans | -101.2 | 151.6 | -178 | -55.9 | 179.3 | 0 | 0 | 0 | 110 | M94 V100 A101 F104 | M94-L96 HydrophobicContact CB-CD2 4.3Å; L96-V100 HydrophobicContact CB-CG1 4.39Å; L96-V100 HydrophobicContact CD1-CG1 4.39Å; L96-V100 HydrophobicContact CD2-CG1 4.16Å; L96-A101 HydrophobicContact CB-CB 4.23Å; L96-F104 HydrophobicContact CD1-CB 4.23Å; L96-F104 HydrophobicContact CD1-CD1 4.2Å; L96-F104 HydrophobicContact CD1-CG 4.11Å | ||
| 97 | S | 97.5 | Very high | 96.3 | Very high | 75 Ų | 75 | 103.7 Ų | 103.7 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | trans | -69.8 | 161 | 167.3 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | G99 V100 A101 | S97-G99 VanDerWaalsContact C-N 3.28Å; S97-G99 PolarHBondContact O-N 2.87Å; S97-V100 PolarHBondContact O-N 2.58Å; S97-V100 WeakPolarHBondContact OG-CG2 3.35Å; S97-V100 PolarHBondContact OG-N 3.15Å; S97-A101 VanDerWaalsContact O-CB 3.28Å; S97-A101 WeakPolarHBondContact O-CB 3.43Å; S97-A101 PolarHBondContact O-N 3.08Å | ||
| 98 | V | 96.7 | Very high | 96.4 | Very high | 111 Ų | 111 | 97 Ų | 97 | 67% | 0.673 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.6 | -38.4 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | R102 | V98-R102 WeakPolarHBondContact O-CG 3.46Å; V98-R102 PolarHBondContact O-N 3.29Å |
| 99 | G | 97.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 101.2 Ų | 101.2 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -57 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S97 A101 R102 E103 | S97-G99 VanDerWaalsContact C-N 3.28Å; S97-G99 PolarHBondContact O-N 2.87Å; G99-A101 VanDerWaalsContact C-N 3.25Å; G99-A101 PolarHBondContact O-N 3.05Å; G99-R102 PolarHBondContact O-N 2.91Å; G99-R102 VanDerWaalsContact O-N 3.08Å; G99-E103 PolarHBondContact O-N 3.48Å |
| 100 | V | 97.4 | Very high | 96.7 | Very high | 73 Ų | 73 | 106.5 Ų | 106.5 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L96 S97 F104 | L96-V100 HydrophobicContact CB-CG1 4.39Å; L96-V100 HydrophobicContact CD1-CG1 4.39Å; L96-V100 HydrophobicContact CD2-CG1 4.16Å; S97-V100 PolarHBondContact O-N 2.58Å; S97-V100 WeakPolarHBondContact OG-CG2 3.35Å; S97-V100 PolarHBondContact OG-N 3.15Å; V100-F104 WeakPolarHBondContact O-CB 3.32Å; V100-F104 PolarHBondContact O-N 2.68Å |
| 101 | A | 97.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 102 Ų | 102 | 19% | 0.19 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L96 S97 G99 F104 F105 | L96-A101 HydrophobicContact CB-CB 4.23Å; S97-A101 VanDerWaalsContact O-CB 3.28Å; S97-A101 WeakPolarHBondContact O-CB 3.43Å; S97-A101 PolarHBondContact O-N 3.08Å; G99-A101 VanDerWaalsContact C-N 3.25Å; G99-A101 PolarHBondContact O-N 3.05Å; A101-F104 PolarHBondContact O-N 3.12Å; A101-F105 HydrophobicContact CB-CD2 4.47Å; A101-F105 HydrophobicContact CB-CE2 4.35Å; A101-F105 WeakPolarHBondContact O-CD2 3.43Å; A101-F105 PolarHBondContact O-N 3.22Å |
| 102 | R | 97.6 | Very high | 96.9 | Very high | 196 Ų | 196 | 102.4 Ų | 102.4 | 74% | 0.74 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -49.1 | 178.3 | -74.4 | 175.4 | 177.5 | -136.4 | 0.6 | 111.6 | V98 G99 A106 | V98-R102 WeakPolarHBondContact O-CG 3.46Å; V98-R102 PolarHBondContact O-N 3.29Å; G99-R102 PolarHBondContact O-N 2.91Å; G99-R102 VanDerWaalsContact O-N 3.08Å; R102-A106 WeakPolarHBondContact O-CB 3.04Å; R102-A106 PolarHBondContact O-N 3.14Å; R102-A106 VanDerWaalsContact O-N 3.1Å |
| 103 | E | 97.3 | Very high | 97 | Very high | 147 Ų | 147 | 99.5 Ų | 99.5 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 178.9 | -69.3 | 172.9 | -142.9 | 0 | 0 | 112.2 | G99 A106 L107 | G99-E103 PolarHBondContact O-N 3.48Å; E103-A106 PolarHBondContact O-N 3.04Å; E103-L107 WeakPolarHBondContact O-CB 3.19Å; E103-L107 PolarHBondContact O-N 3.15Å |
| 104 | F | 97.8 | Very high | 97.1 | Very high | 28 Ų | 28 | 96.1 Ų | 96.1 | 12% | 0.123 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 179.6 | 177.5 | -91.9 | 0 | 0 | 0 | 112.8 | L96 V100 A101 L107 Q108 A116 T119 V120 L123 | L96-F104 HydrophobicContact CD1-CB 4.23Å; L96-F104 HydrophobicContact CD1-CD1 4.2Å; L96-F104 HydrophobicContact CD1-CG 4.11Å; V100-F104 WeakPolarHBondContact O-CB 3.32Å; V100-F104 PolarHBondContact O-N 2.68Å; A101-F104 PolarHBondContact O-N 3.12Å; F104-L107 PolarHBondContact O-N 3.11Å; F104-Q108 PolarHBondContact O-N 2.89Å; F104-A116 HydrophobicContact CE1-CB 3.69Å; F104-A116 HydrophobicContact CZ-CB 3.8Å; F104-T119 HydrophobicContact CD2-CG2 4.26Å; F104-T119 HydrophobicContact CE2-CG2 3.69Å; F104-T119 HydrophobicContact CZ-CG2 3.96Å; F104-V120 HydrophobicContact CE2-CG2 3.74Å; F104-V120 HydrophobicContact CZ-CG2 3.92Å; F104-L123 HydrophobicContact CD2-CD1 4.28Å; F104-L123 HydrophobicContact CE2-CD1 4.24Å |
| 105 | F | 97.1 | Very high | 97.2 | Very high | 110 Ų | 110 | 94.3 Ų | 94.3 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.4 | -39.1 | 177.6 | -70.4 | -57.6 | 0 | 0 | 0 | 111.9 | A101 L107 Q108 D109 | A101-F105 HydrophobicContact CB-CD2 4.47Å; A101-F105 HydrophobicContact CB-CE2 4.35Å; A101-F105 WeakPolarHBondContact O-CD2 3.43Å; A101-F105 PolarHBondContact O-N 3.22Å; F105-L107 PolarHBondContact O-N 3.23Å; F105-Q108 WeakPolarHBondContact O-CB 3.32Å; F105-Q108 PolarHBondContact O-N 3.33Å; F105-D109 PolarHBondContact O-N 2.88Å |
| 106 | A | 97.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 84.7 Ų | 84.7 | 35% | 0.347 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60 | -34.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R102 E103 R110 | R102-A106 WeakPolarHBondContact O-CB 3.04Å; R102-A106 PolarHBondContact O-N 3.14Å; R102-A106 VanDerWaalsContact O-N 3.1Å; E103-A106 PolarHBondContact O-N 3.04Å; A106-R110 VanDerWaalsContact O-CG 3.23Å; A106-R110 WeakPolarHBondContact O-CG 3.26Å; A106-R110 PolarHBondContact O-N 2.92Å |
| 107 | L | 97.4 | Very high | 97 | Very high | 43 Ų | 43 | 85.1 Ų | 85.1 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 171 | 177 | 64.3 | 0 | 0 | 0 | 112.1 | E103 F104 F105 D109 R110 L111 T119 W122 L123 | E103-L107 WeakPolarHBondContact O-CB 3.19Å; E103-L107 PolarHBondContact O-N 3.15Å; F104-L107 PolarHBondContact O-N 3.11Å; F105-L107 PolarHBondContact O-N 3.23Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.06Å; L107-R110 PolarHBondContact O-N 2.99Å; L107-L111 HydrophobicContact CD1-CD1 3.92Å; L107-L111 HydrophobicContact CD1-CG 4.11Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.48Å; L107-L111 WeakPolarHBondContact O-CG 3.28Å; L107-L111 PolarHBondContact O-N 3.2Å; L107-T119 HydrophobicContact CD2-CG2 4.04Å; L107-T119 HydrophobicContact CG-CG2 4.13Å; L107-W122 HydrophobicContact CD1-CH2 4.41Å; L107-W122 HydrophobicContact CD1-CZ3 4.07Å; L107-W122 HydrophobicContact CD2-CE3 4.39Å; L107-W122 HydrophobicContact CD2-CZ3 3.99Å; L107-L123 HydrophobicContact CD2-CD1 4.25Å; L107-L123 HydrophobicContact CD2-CD2 3.74Å; L107-L123 HydrophobicContact CD2-CG 4.1Å |
| 108 | Q | 97.4 | Very high | 97 | Very high | 23 Ų | 23 | 87.2 Ų | 87.2 | 11% | 0.107 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 177.3 | -179.9 | 177.9 | -33.1 | 0 | 0 | 111.6 | F104 F105 L111 G112 F113 T119 | F104-Q108 PolarHBondContact O-N 2.89Å; F105-Q108 WeakPolarHBondContact O-CB 3.32Å; F105-Q108 PolarHBondContact O-N 3.33Å; Q108-L111 PolarHBondContact O-N 3.02Å; Q108-G112 PolarHBondContact O-N 3.15Å; Q108-G112 VanDerWaalsContact O-N 3.11Å; Q108-F113 HydrophobicContact CG-CB 4.2Å; Q108-F113 WeakPolarHBondContact CG-O 3.17Å; Q108-F113 PolarHBondContact NE2-O 3.36Å; Q108-F113 PolarHBondContact O-N 3Å; Q108-F113 VanDerWaalsContact O-N 3.15Å; Q108-T119 HydrophobicContact CB-CG2 4.31Å; Q108-T119 WeakPolarHBondContact CG-OG1 3.32Å |
| 109 | D | 97.7 | Very high | 97 | Very high | 124 Ų | 124 | 82 Ų | 82 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 177.6 | -65.5 | -24.1 | 0 | 0 | 0 | 111.5 | F105 L107 L111 G112 | F105-D109 PolarHBondContact O-N 2.88Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.06Å; D109-L111 VanDerWaalsContact C-N 3.27Å; D109-L111 PolarHBondContact O-N 2.92Å; D109-G112 PolarHBondContact O-N 3.03Å |
| 110 | R | 97.8 | Very high | 97 | Very high | 218 Ų | 218 | 83 Ų | 83 | 82% | 0.823 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.7 | -32.4 | 175.7 | -73.4 | 171.7 | -174.1 | -161.5 | 3 | 113.4 | A106 L107 | A106-R110 VanDerWaalsContact O-CG 3.23Å; A106-R110 WeakPolarHBondContact O-CG 3.26Å; A106-R110 PolarHBondContact O-N 2.92Å; L107-R110 PolarHBondContact O-N 2.99Å |
| 111 | L | 97.3 | Very high | 97 | Very high | 49 Ų | 49 | 85 Ų | 85 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.2 | 176 | -66.3 | 172.2 | 0 | 0 | 0 | 113.2 | L107 Q108 D109 F113 T119 W122 | L107-L111 HydrophobicContact CD1-CD1 3.92Å; L107-L111 HydrophobicContact CD1-CG 4.11Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.48Å; L107-L111 WeakPolarHBondContact O-CG 3.28Å; L107-L111 PolarHBondContact O-N 3.2Å; Q108-L111 PolarHBondContact O-N 3.02Å; D109-L111 VanDerWaalsContact C-N 3.27Å; D109-L111 PolarHBondContact O-N 2.92Å; L111-F113 VanDerWaalsContact C-N 3.28Å; L111-F113 HydrophobicContact CB-CD1 4.33Å; L111-F113 HydrophobicContact CB-CD2 3.76Å; L111-F113 HydrophobicContact CB-CE1 4.43Å; L111-F113 HydrophobicContact CB-CE2 3.89Å; L111-F113 HydrophobicContact CB-CG 4.01Å; L111-F113 HydrophobicContact CB-CZ 4.22Å; L111-F113 HydrophobicContact CD1-CD2 3.99Å; L111-F113 HydrophobicContact CD1-CE2 3.75Å; L111-F113 HydrophobicContact CG-CE2 4.35Å; L111-F113 WeakPolarHBondContact O-CD1 3.46Å; L111-F113 PolarHBondContact O-N 2.91Å; L111-T119 HydrophobicContact CD1-CG2 4.21Å; L111-W122 HydrophobicContact CD1-CD2 3.77Å; L111-W122 HydrophobicContact CD1-CE3 3.74Å; L111-W122 HydrophobicContact CD1-CG 4.15Å; L111-W122 HydrophobicContact CD1-CZ3 4.23Å; L111-W122 HydrophobicContact CD2-CD2 4.31Å; L111-W122 HydrophobicContact CD2-CZ2 4.13Å |
| 112 | G | 97.4 | Very high | 97 | Very high | 66 Ų | 66 | 88 Ų | 88 | 68% | 0.68 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 27.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q108 D109 | Q108-G112 PolarHBondContact O-N 3.15Å; Q108-G112 VanDerWaalsContact O-N 3.11Å; D109-G112 PolarHBondContact O-N 3.03Å |
| 113 | F | 96.7 | Very high | 97 | Very high | 58 Ų | 58 | 82 Ų | 82 | 25% | 0.254 | 42% | 0.424 | S | S | . | . | trans | -91.3 | 115.4 | -175.5 | -70 | -18.4 | 0 | 0 | 0 | 112.6 | Q108 L111 K115 K118 W122 | Q108-F113 HydrophobicContact CG-CB 4.2Å; Q108-F113 WeakPolarHBondContact CG-O 3.17Å; Q108-F113 PolarHBondContact NE2-O 3.36Å; Q108-F113 PolarHBondContact O-N 3Å; Q108-F113 VanDerWaalsContact O-N 3.15Å; L111-F113 VanDerWaalsContact C-N 3.28Å; L111-F113 HydrophobicContact CB-CD1 4.33Å; L111-F113 HydrophobicContact CB-CD2 3.76Å; L111-F113 HydrophobicContact CB-CE1 4.43Å; L111-F113 HydrophobicContact CB-CE2 3.89Å; L111-F113 HydrophobicContact CB-CG 4.01Å; L111-F113 HydrophobicContact CB-CZ 4.22Å; L111-F113 HydrophobicContact CD1-CD2 3.99Å; L111-F113 HydrophobicContact CD1-CE2 3.75Å; L111-F113 HydrophobicContact CG-CE2 4.35Å; L111-F113 WeakPolarHBondContact O-CD1 3.46Å; L111-F113 PolarHBondContact O-N 2.91Å; F113-K115 PolarHBondContact O-N 3.28Å; F113-K118 HydrophobicContact CB-CB 4.25Å; F113-K118 HydrophobicContact CD1-CB 4.42Å; F113-K118 HydrophobicContact CD1-CD 4.41Å; F113-K118 HydrophobicContact CD2-CB 3.72Å; F113-K118 HydrophobicContact CE2-CB 4.1Å; F113-K118 HydrophobicContact CG-CB 3.89Å; F113-W122 HydrophobicContact CE2-CB 3.9Å; F113-W122 HydrophobicContact CE2-CG 4.29Å | ||
| 114 | D | 96.4 | Very high | 97 | Very high | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -57.8 | -27 | 171.9 | 167.1 | 74.6 | 0 | 0 | 0 | 114.1 | ||
| 115 | K | 95.7 | Very high | 97 | Very high | 118 Ų | 118 | 80.4 Ų | 80.4 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -125.9 | 122 | -176.9 | -51.3 | -157.7 | -174 | -49.8 | 0 | 111.8 | F113 S117 K118 | F113-K115 PolarHBondContact O-N 3.28Å; K115-S117 PolarHBondContact O-N 2.98Å; K115-K118 WeakPolarHBondContact O-CB 3.37Å; K115-K118 PolarHBondContact O-N 3.42Å |
| 116 | A | 95.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 80.7 Ų | 80.7 | 31% | 0.314 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -47.1 | -33.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F104 K118 T119 V120 | F104-A116 HydrophobicContact CE1-CB 3.69Å; F104-A116 HydrophobicContact CZ-CB 3.8Å; A116-K118 PolarHBondContact O-N 3.38Å; A116-T119 VanDerWaalsContact O-CB 3.32Å; A116-T119 WeakPolarHBondContact O-CB 3.46Å; A116-T119 PolarHBondContact O-N 3.14Å; A116-T119 VanDerWaalsContact O-N 3.09Å; A116-V120 PolarHBondContact O-N 3.32Å |
| 117 | S | 94.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 80.7 Ų | 80.7 | 59% | 0.594 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.3 | -28.7 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | K115 N121 | K115-S117 PolarHBondContact O-N 2.98Å; S117-N121 WeakPolarHBondContact O-CB 3.44Å; S117-N121 PolarHBondContact O-N 2.93Å |
| 118 | K | 97.3 | Very high | 96.8 | Very high | 119 Ų | 119 | 84.5 Ų | 84.5 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 171.8 | -66.6 | -174.4 | 174.5 | -176.2 | 0 | 111.2 | F113 K115 A116 N121 W122 | F113-K118 HydrophobicContact CB-CB 4.25Å; F113-K118 HydrophobicContact CD1-CB 4.42Å; F113-K118 HydrophobicContact CD1-CD 4.41Å; F113-K118 HydrophobicContact CD2-CB 3.72Å; F113-K118 HydrophobicContact CE2-CB 4.1Å; F113-K118 HydrophobicContact CG-CB 3.89Å; K115-K118 WeakPolarHBondContact O-CB 3.37Å; K115-K118 PolarHBondContact O-N 3.42Å; A116-K118 PolarHBondContact O-N 3.38Å; K118-N121 PolarHBondContact O-N 3.06Å; K118-W122 WeakPolarHBondContact O-CB 3.38Å; K118-W122 PolarHBondContact O-N 2.83Å |
| 119 | T | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.4 | -44.1 | 0 | 0 | 0 | 0 | 111.2 | F104 L107 Q108 L111 A116 W122 L123 | F104-T119 HydrophobicContact CD2-CG2 4.26Å; F104-T119 HydrophobicContact CE2-CG2 3.69Å; F104-T119 HydrophobicContact CZ-CG2 3.96Å; L107-T119 HydrophobicContact CD2-CG2 4.04Å; L107-T119 HydrophobicContact CG-CG2 4.13Å; Q108-T119 HydrophobicContact CB-CG2 4.31Å; Q108-T119 WeakPolarHBondContact CG-OG1 3.32Å; L111-T119 HydrophobicContact CD1-CG2 4.21Å; A116-T119 VanDerWaalsContact O-CB 3.32Å; A116-T119 WeakPolarHBondContact O-CB 3.46Å; A116-T119 PolarHBondContact O-N 3.14Å; A116-T119 VanDerWaalsContact O-N 3.09Å; T119-W122 PolarHBondContact O-N 3.43Å; T119-L123 WeakPolarHBondContact O-CG 3.42Å; T119-L123 PolarHBondContact O-N 3.47Å |
| 120 | V | 97.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 83.7 Ų | 83.7 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.9 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | F104 A116 W122 L123 L124 | F104-V120 HydrophobicContact CE2-CG2 3.74Å; F104-V120 HydrophobicContact CZ-CG2 3.92Å; A116-V120 PolarHBondContact O-N 3.32Å; V120-W122 VanDerWaalsContact C-N 3.32Å; V120-W122 PolarHBondContact O-N 3.17Å; V120-L123 PolarHBondContact O-N 3.5Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 WeakPolarHBondContact O-CG 3.42Å; V120-L124 PolarHBondContact O-N 3.26Å |
| 121 | N | 97 | Very high | 96.5 | Very high | 114 Ų | 114 | 77 Ų | 77 | 61% | 0.61 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 175.7 | -172.4 | 41.8 | 0 | 0 | 0 | 112.2 | S117 K118 A125 | S117-N121 WeakPolarHBondContact O-CB 3.44Å; S117-N121 PolarHBondContact O-N 2.93Å; K118-N121 PolarHBondContact O-N 3.06Å; N121-A125 WeakPolarHBondContact O-CB 3.44Å; N121-A125 PolarHBondContact O-N 3.15Å |
| 122 | W | 98.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 174.7 | 179.6 | 90.3 | 0 | 0 | 0 | 111.6 | L107 L111 F113 K118 T119 V120 L124 A125 Q126 | L107-W122 HydrophobicContact CD1-CH2 4.41Å; L107-W122 HydrophobicContact CD1-CZ3 4.07Å; L107-W122 HydrophobicContact CD2-CE3 4.39Å; L107-W122 HydrophobicContact CD2-CZ3 3.99Å; L111-W122 HydrophobicContact CD1-CD2 3.77Å; L111-W122 HydrophobicContact CD1-CE3 3.74Å; L111-W122 HydrophobicContact CD1-CG 4.15Å; L111-W122 HydrophobicContact CD1-CZ3 4.23Å; L111-W122 HydrophobicContact CD2-CD2 4.31Å; L111-W122 HydrophobicContact CD2-CZ2 4.13Å; F113-W122 HydrophobicContact CE2-CB 3.9Å; F113-W122 HydrophobicContact CE2-CG 4.29Å; K118-W122 WeakPolarHBondContact O-CB 3.38Å; K118-W122 PolarHBondContact O-N 2.83Å; T119-W122 PolarHBondContact O-N 3.43Å; V120-W122 VanDerWaalsContact C-N 3.32Å; V120-W122 PolarHBondContact O-N 3.17Å; W122-L124 PolarHBondContact O-N 2.9Å; W122-A125 WeakPolarHBondContact O-CB 3.43Å; W122-A125 PolarHBondContact O-N 3.38Å; W122-A125 VanDerWaalsContact O-N 3.08Å; W122-Q126 HydrophobicContact CD2-CG 3.88Å; W122-Q126 HydrophobicContact CE3-CG 4.15Å; W122-Q126 HydrophobicContact CH2-CG 3.92Å; W122-Q126 HydrophobicContact CZ2-CG 3.64Å; W122-Q126 HydrophobicContact CZ3-CG 4.16Å; W122-Q126 WeakPolarHBondContact O-CG 3.47Å; W122-Q126 PolarHBondContact O-N 2.98Å |
| 123 | L | 97.6 | Very high | 96.2 | Very high | 70 Ų | 70 | 84.5 Ų | 84.5 | 37% | 0.366 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.9 | -49.1 | 174.9 | -76.8 | 168.8 | 0 | 0 | 0 | 111.4 | F104 L107 T119 V120 A125 Q126 S127 | F104-L123 HydrophobicContact CD2-CD1 4.28Å; F104-L123 HydrophobicContact CE2-CD1 4.24Å; L107-L123 HydrophobicContact CD2-CD1 4.25Å; L107-L123 HydrophobicContact CD2-CD2 3.74Å; L107-L123 HydrophobicContact CD2-CG 4.1Å; T119-L123 WeakPolarHBondContact O-CG 3.42Å; T119-L123 PolarHBondContact O-N 3.47Å; V120-L123 PolarHBondContact O-N 3.5Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 3.43Å; L123-Q126 PolarHBondContact O-N 3.29Å; L123-S127 WeakPolarHBondContact O-CB 3.47Å; L123-S127 PolarHBondContact O-N 3.49Å; L123-S127 PolarHBondContact O-OG 3.28Å |
| 124 | L | 96.6 | Very high | 96 | Very high | 97 Ų | 97 | 87.7 Ų | 87.7 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 176.8 | -70 | 173.3 | 0 | 0 | 0 | 113 | V120 W122 K128 | V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 WeakPolarHBondContact O-CG 3.42Å; V120-L124 PolarHBondContact O-N 3.26Å; W122-L124 PolarHBondContact O-N 2.9Å; L124-K128 VanDerWaalsContact O-CG 3.26Å; L124-K128 WeakPolarHBondContact O-CG 3.1Å; L124-K128 PolarHBondContact O-N 3.07Å |
| 125 | A | 97 | Very high | 95.8 | Very high | 45 Ų | 45 | 85.7 Ų | 85.7 | 37% | 0.372 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.3 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N121 W122 L123 | N121-A125 WeakPolarHBondContact O-CB 3.44Å; N121-A125 PolarHBondContact O-N 3.15Å; W122-A125 WeakPolarHBondContact O-CB 3.43Å; W122-A125 PolarHBondContact O-N 3.38Å; W122-A125 VanDerWaalsContact O-N 3.08Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 3.43Å |
| 126 | Q | 96.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 84.5 Ų | 84.5 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.2 | -33.2 | 175.3 | -63.1 | -51.6 | -50.4 | 0 | 0 | 112.3 | W122 L123 | W122-Q126 HydrophobicContact CD2-CG 3.88Å; W122-Q126 HydrophobicContact CE3-CG 4.15Å; W122-Q126 HydrophobicContact CH2-CG 3.92Å; W122-Q126 HydrophobicContact CZ2-CG 3.64Å; W122-Q126 HydrophobicContact CZ3-CG 4.16Å; W122-Q126 WeakPolarHBondContact O-CG 3.47Å; W122-Q126 PolarHBondContact O-N 2.98Å; L123-Q126 PolarHBondContact O-N 3.29Å |
| 127 | S | 96.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 85.1 Ų | 85.1 | 29% | 0.287 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -83.7 | -6.8 | -178.5 | 71 | 0 | 0 | 0 | 0 | 114.6 | L123 A130 I131 | L123-S127 WeakPolarHBondContact O-CB 3.47Å; L123-S127 PolarHBondContact O-N 3.49Å; L123-S127 PolarHBondContact O-OG 3.28Å; S127-A130 WeakPolarHBondContact O-CA 3.35Å; S127-A130 WeakPolarHBondContact O-CB 3.4Å; S127-A130 PolarHBondContact O-N 2.85Å; S127-I131 WeakPolarHBondContact O-CG1 3.4Å; S127-I131 PolarHBondContact O-N 3.29Å; S127-I131 WeakPolarHBondContact OG-CD1 3.36Å |
| 128 | K | 96.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 83.9 Ų | 83.9 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -43.6 | -59 | 176.1 | -68.5 | -171.8 | 178.2 | -177.2 | 0 | 113.8 | L124 A130 I131 D132 | L124-K128 VanDerWaalsContact O-CG 3.26Å; L124-K128 WeakPolarHBondContact O-CG 3.1Å; L124-K128 PolarHBondContact O-N 3.07Å; K128-A130 PolarHBondContact O-N 2.85Å; K128-I131 CarbonylContact O-C 3.58Å; K128-I131 WeakPolarHBondContact O-CA 3.32Å; K128-I131 WeakPolarHBondContact O-CB 3.42Å; K128-I131 PolarHBondContact O-N 3.08Å; K128-D132 PolarHBondContact O-N 3.43Å; K128-D132 VanDerWaalsContact O-OD2 3.07Å |
| 129 | P | 94.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 83.4 Ų | 83.4 | 49% | 0.494 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -21.3 | -178.6 | 26.5 | -37.4 | 0 | 0 | 0 | 114.1 | R133 | P129-R133 VanDerWaalsContact O-CD 3.28Å; P129-R133 WeakPolarHBondContact O-CD 3.38Å; P129-R133 WeakPolarHBondContact O-CG 3.28Å; P129-R133 PolarHBondContact O-N 2.95Å |
| 130 | A | 95.6 | Very high | 92.4 | Very high | 55 Ų | 55 | 90 Ų | 90 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -82 | -34.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | S127 K128 L134 | S127-A130 WeakPolarHBondContact O-CA 3.35Å; S127-A130 WeakPolarHBondContact O-CB 3.4Å; S127-A130 PolarHBondContact O-N 2.85Å; K128-A130 PolarHBondContact O-N 2.85Å; A130-L134 VanDerWaalsContact O-CG 3.32Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.25Å |
| 131 | I | 94.5 | Very high | 90.8 | Very high | 76 Ų | 76 | 89.6 Ų | 89.6 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -47.1 | 173.6 | -66.1 | 166.4 | 0 | 0 | 0 | 110.1 | S127 K128 R133 L134 V135 | S127-I131 WeakPolarHBondContact O-CG1 3.4Å; S127-I131 PolarHBondContact O-N 3.29Å; S127-I131 WeakPolarHBondContact OG-CD1 3.36Å; K128-I131 CarbonylContact O-C 3.58Å; K128-I131 WeakPolarHBondContact O-CA 3.32Å; K128-I131 WeakPolarHBondContact O-CB 3.42Å; K128-I131 PolarHBondContact O-N 3.08Å; I131-R133 PolarHBondContact O-N 3.29Å; I131-L134 WeakPolarHBondContact O-CB 3.24Å; I131-L134 PolarHBondContact O-N 3.36Å; I131-V135 PolarHBondContact O-N 3.03Å; I131-V135 VanDerWaalsContact O-N 3.15Å |
| 132 | D | 94.7 | Very high | 89.1 | Confident | 87 Ų | 87 | 87.7 Ų | 87.7 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -47.9 | -178.3 | -56.9 | -30.1 | 0 | 0 | 0 | 110.2 | K128 L134 V135 D136 | K128-D132 PolarHBondContact O-N 3.43Å; K128-D132 VanDerWaalsContact O-OD2 3.07Å; D132-L134 VanDerWaalsContact C-N 3.26Å; D132-L134 PolarHBondContact O-N 2.89Å; D132-V135 WeakPolarHBondContact O-CB 3.35Å; D132-V135 PolarHBondContact O-N 3.45Å; D132-D136 PolarHBondContact O-N 3.09Å |
| 133 | R | 94 | Very high | 87.3 | Confident | 187 Ų | 187 | 89.2 Ų | 89.2 | 71% | 0.706 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.4 | -31.8 | 173.7 | -74.7 | 172.3 | -176.4 | -171.6 | -0.3 | 114.4 | P129 I131 A137 | P129-R133 VanDerWaalsContact O-CD 3.28Å; P129-R133 WeakPolarHBondContact O-CD 3.38Å; P129-R133 WeakPolarHBondContact O-CG 3.28Å; P129-R133 PolarHBondContact O-N 2.95Å; I131-R133 PolarHBondContact O-N 3.29Å; R133-A137 WeakPolarHBondContact O-CB 3.11Å; R133-A137 PolarHBondContact O-N 2.89Å |
| 134 | L | 92.5 | Very high | 85.5 | Confident | 125 Ų | 125 | 91.8 Ų | 91.8 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.7 | -31.5 | 177.2 | -73.4 | 168.6 | 0 | 0 | 0 | 111.9 | A130 I131 D132 A138 | A130-L134 VanDerWaalsContact O-CG 3.32Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.25Å; I131-L134 WeakPolarHBondContact O-CB 3.24Å; I131-L134 PolarHBondContact O-N 3.36Å; D132-L134 VanDerWaalsContact C-N 3.26Å; D132-L134 PolarHBondContact O-N 2.89Å; L134-A138 WeakPolarHBondContact O-CB 3.42Å; L134-A138 PolarHBondContact O-N 2.97Å; L134-A138 VanDerWaalsContact O-N 3.12Å |
| 135 | V | 91.9 | Very high | 83.6 | Confident | 80 Ų | 80 | 93 Ų | 93 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.4 | -50.3 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | I131 D132 A137 A138 D139 | I131-V135 PolarHBondContact O-N 3.03Å; I131-V135 VanDerWaalsContact O-N 3.15Å; D132-V135 WeakPolarHBondContact O-CB 3.35Å; D132-V135 PolarHBondContact O-N 3.45Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 2.97Å; V135-A138 WeakPolarHBondContact O-CB 3.45Å; V135-A138 PolarHBondContact O-N 2.88Å; V135-D139 PolarHBondContact O-N 2.87Å; V135-D139 VanDerWaalsContact O-N 3.08Å |
| 136 | D | 89.2 | Confident | 81.2 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 177.3 | -61.4 | -29.4 | 0 | 0 | 0 | 112.1 | D132 Q140 | D132-D136 PolarHBondContact O-N 3.09Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 2.9Å; D136-Q140 VanDerWaalsContact O-N 3.11Å |
| 137 | A | 87.1 | Confident | 78.7 | Confident | 51 Ų | 51 | 92 Ų | 92 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.9 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R133 V135 Q140 A141 | R133-A137 WeakPolarHBondContact O-CB 3.11Å; R133-A137 PolarHBondContact O-N 2.89Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 2.97Å; A137-Q140 PolarHBondContact O-N 3.34Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.31Å |
| 138 | A | 84 | Confident | 76.1 | Confident | 58 Ų | 58 | 93.1 Ų | 93.1 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L134 V135 A141 A142 | L134-A138 WeakPolarHBondContact O-CB 3.42Å; L134-A138 PolarHBondContact O-N 2.97Å; L134-A138 VanDerWaalsContact O-N 3.12Å; V135-A138 WeakPolarHBondContact O-CB 3.45Å; V135-A138 PolarHBondContact O-N 2.88Å; A138-A141 PolarHBondContact O-N 3.34Å; A138-A142 PolarHBondContact O-N 3.25Å; A138-A142 VanDerWaalsContact O-N 3.11Å |
| 139 | D | 80 | Confident | 73.9 | Confident | 109 Ų | 109 | 92.5 Ų | 92.5 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.2 | -40 | 175.4 | -73.4 | -21.3 | 0 | 0 | 0 | 111.5 | V135 A142 V143 | V135-D139 PolarHBondContact O-N 2.87Å; V135-D139 VanDerWaalsContact O-N 3.08Å; D139-A142 PolarHBondContact O-N 2.83Å; D139-V143 PolarHBondContact O-N 3.33Å |
| 140 | Q | 69.4 | Low | 71.6 | Confident | 138 Ų | 138 | 95.4 Ų | 95.4 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -37.4 | 174.8 | -70.3 | -167.9 | 99.5 | 0 | 0 | 113.3 | D136 A137 A142 V143 V144 | D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 2.9Å; D136-Q140 VanDerWaalsContact O-N 3.11Å; A137-Q140 PolarHBondContact O-N 3.34Å; Q140-A142 VanDerWaalsContact C-N 3.3Å; Q140-A142 PolarHBondContact O-N 3.5Å; Q140-V143 PolarHBondContact O-N 2.92Å; Q140-V143 VanDerWaalsContact O-N 3.16Å; Q140-V144 WeakPolarHBondContact O-CG2 3.07Å; Q140-V144 PolarHBondContact O-N 3.2Å; Q140-V144 VanDerWaalsContact O-N 3.09Å |
| 141 | A | 64.4 | Low | 69.7 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.9 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A137 A138 V143 T145 | A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.31Å; A138-A141 PolarHBondContact O-N 3.34Å; A141-V143 VanDerWaalsContact C-N 3.33Å; A141-T145 PolarHBondContact O-N 3.11Å; A141-T145 PolarHBondContact O-OG1 2.85Å |
| 142 | A | 60.4 | Low | 67.9 | Low | 73 Ų | 73 | 102.3 Ų | 102.3 | 60% | 0.603 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.3 | -36.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A138 D139 Q140 | A138-A142 PolarHBondContact O-N 3.25Å; A138-A142 VanDerWaalsContact O-N 3.11Å; D139-A142 PolarHBondContact O-N 2.83Å; Q140-A142 VanDerWaalsContact C-N 3.3Å; Q140-A142 PolarHBondContact O-N 3.5Å |
| 143 | V | 60.1 | Low | 65.5 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.9 | -44.8 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | D139 Q140 A141 T145 G146 | D139-V143 PolarHBondContact O-N 3.33Å; Q140-V143 PolarHBondContact O-N 2.92Å; Q140-V143 VanDerWaalsContact O-N 3.16Å; A141-V143 VanDerWaalsContact C-N 3.33Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 3.34Å; V143-G146 PolarHBondContact O-N 3.09Å |
| 144 | V | 59.7 | Low | 63.3 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.5 | -26 | -173.7 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | Q140 G146 | Q140-V144 WeakPolarHBondContact O-CG2 3.07Å; Q140-V144 PolarHBondContact O-N 3.2Å; Q140-V144 VanDerWaalsContact O-N 3.09Å; V144-G146 VanDerWaalsContact C-N 3.32Å |
| 145 | T | 56.6 | Low | 61.2 | Low | 124 Ų | 124 | 109.2 Ų | 109.2 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -5.4 | 178.3 | -41.1 | 0 | 0 | 0 | 0 | 112.8 | A141 V143 G147 | A141-T145 PolarHBondContact O-N 3.11Å; A141-T145 PolarHBondContact O-OG1 2.85Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 3.34Å; T145-G147 VanDerWaalsContact C-N 3.3Å; T145-G147 PolarHBondContact O-N 3.04Å; T145-G147 VanDerWaalsContact O-N 3.17Å |
| 146 | G | 48.2 | Very low | 59.1 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 62% | 0.619 | 69% | 0.691 | S | S | * | * | trans | -83.8 | 31.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | V143 V144 G148 | V143-G146 PolarHBondContact O-N 3.09Å; V144-G146 VanDerWaalsContact C-N 3.32Å; G146-G148 VanDerWaalsContact C-N 3.28Å; G146-G148 PolarHBondContact O-N 2.95Å | ||
| 147 | G | 41.9 | Very low | 57.2 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -68.7 | 43.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | T145 | T145-G147 VanDerWaalsContact C-N 3.3Å; T145-G147 PolarHBondContact O-N 3.04Å; T145-G147 VanDerWaalsContact O-N 3.17Å | ||
| 148 | G | 43.3 | Very low | 55.3 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | trans | 75.1 | -175.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | G146 | G146-G148 VanDerWaalsContact C-N 3.28Å; G146-G148 PolarHBondContact O-N 2.95Å | ||
| 149 | P | 49 | Very low | 54 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | -132.3 | 170.3 | 5.5 | 40.9 | -25.1 | 0 | 0 | 0 | 116.7 | ||||
| 150 | T | 47.2 | Very low | 52.8 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | 70.2 | 148.8 | 174.4 | 81.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 151 | L | 55.2 | Low | 52.2 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | -160.6 | 166.6 | 24.5 | 179.4 | 56.9 | 0 | 0 | 0 | 110 | ||||
| 152 | V | 56.9 | Low | 52.2 | Low | 127 Ų | 127 | 121.2 Ų | 121.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 56.1 | 100.6 | 167.9 | -75.9 | 0 | 0 | 0 | 0 | 120.8 | G154 | V152-G154 PolarHBondContact O-N 3.02Š| ||
| 153 | K | 45.7 | Very low | 51.8 | Low | 223 Ų | 223 | 122.9 Ų | 122.9 | 97% | 0.97 | 78% | 0.778 | S | S | * | * | trans | -32.4 | 109.4 | 147.1 | -176.4 | 154.8 | -178.7 | 164.5 | 0 | 114.9 | ||||
| 154 | G | 46.7 | Very low | 51.4 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -123.1 | 123.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V152 | V152-G154 PolarHBondContact O-N 3.02Š| ||
| 155 | R | 48 | Very low | 50.8 | Low | 249 Ų | 249 | 122 Ų | 122 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | trans | -87.8 | 124.5 | 176.9 | -140.6 | -178.6 | -176.9 | -169.9 | -1.6 | 107.8 | ||||
| 156 | G | 47.7 | Very low | 50.3 | Low | 71 Ų | 71 | 124.3 Ų | 124.3 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -169.1 | 100.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 157 | E | 49.2 | Very low | 50.2 | Low | 197 Ų | 197 | 127.8 Ų | 127.8 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -68.5 | 129.5 | 169.2 | -70.4 | 140.8 | 102.3 | 0 | 0 | 109.6 | ||||
| 158 | G | 47.9 | Very low | 50.5 | Low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -167.1 | 78.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N160 | G158-N160 PolarHBondContact O-N 3.4Š| ||
| 159 | S | 57 | Low | 51.1 | Low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -61 | 126.9 | 173.8 | -177 | 0 | 0 | 0 | 0 | 111 | ||||
| 160 | N | 53.7 | Low | 51.6 | Low | 160 Ų | 160 | 139.3 Ų | 139.3 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -135.5 | 92.4 | 169.2 | -97.6 | -13.3 | 0 | 0 | 0 | 110.5 | G158 S162 | G158-N160 PolarHBondContact O-N 3.4Å; N160-S162 PolarHBondContact O-N 3.46Å | ||
| 161 | S | 58.6 | Low | 51.9 | Low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -70.2 | 106.9 | 165.7 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | T163 | S161-T163 VanDerWaalsContact C-N 3.32Å; S161-T163 PolarHBondContact O-N 3.42Å | ||
| 162 | S | 63 | Low | 51.7 | Low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -78.8 | 75.8 | 178.5 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | N160 C164 | N160-S162 PolarHBondContact O-N 3.46Å; S162-C164 PolarHBondContact O-N 3.1Å | ||
| 163 | T | 52.7 | Low | 51.3 | Low | 107 Ų | 107 | 143.9 Ų | 143.9 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | trans | -84.1 | 106 | 166.5 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | S161 C165 | S161-T163 VanDerWaalsContact C-N 3.32Å; S161-T163 PolarHBondContact O-N 3.42Å; T163-C165 PolarHBondContact O-N 3.28Å | ||
| 164 | C | 52 | Low | 51.5 | Low | 118 Ų | 118 | 138.3 Ų | 138.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 79.8 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | S162 L166 | S162-C164 PolarHBondContact O-N 3.1Å; C164-L166 PolarHBondContact O-N 3.08Å | ||
| 165 | C | 46.3 | Very low | 51.7 | Low | 106 Ų | 106 | 141.2 Ų | 141.2 | 72% | 0.716 | 81% | 0.809 | S | S | * | * | trans | -77.5 | 105.2 | 175.4 | 40 | 0 | 0 | 0 | 0 | 111.7 | T163 | T163-C165 PolarHBondContact O-N 3.28Š| ||
| 166 | L | 46.9 | Very low | 52.3 | Low | 172 Ų | 172 | 137.1 Ų | 137.1 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -93.3 | 87.5 | 170.7 | -71.3 | 177.1 | 0 | 0 | 0 | 111.3 | C164 | C164-L166 PolarHBondContact O-N 3.08Š| ||
| 167 | T | 45.4 | Very low | 52.3 | Low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -141.5 | 118 | 162.6 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | D | 49 | Very low | 52 | Low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -133.6 | 158.1 | 173 | -177.7 | -97.5 | 0 | 0 | 0 | 110.4 | ||||
| 169 | S | 54.6 | Low | 52 | Low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | trans | 75.6 | 64.4 | 170.5 | -69 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 170 | R | 59.9 | Low | 51.7 | Low | 252 Ų | 252 | 144.6 Ų | 144.6 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | 33 | 93.6 | 113 | -173.9 | -175.1 | 172 | -167.3 | -2.4 | 118.9 | |||||
| 171 | E | 53 | Low | 51.6 | Low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -164.3 | 135.8 | 143.9 | 49.8 | -177.3 | 144.3 | 0 | 0 | 110.1 | ||||
| 172 | E | 52.3 | Low | 50.8 | Low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | cis | -152.5 | -126.4 | -17.1 | -155 | -133.5 | 42.1 | 0 | 0 | 112.4 | ||||
| 173 | L | 48.5 | Very low | 49.9 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | trans | -93.9 | 133.1 | -172.6 | -69.6 | 162.7 | 0 | 0 | 0 | 116.5 | ||||
| 174 | A | 48.9 | Very low | 49.6 | Very low | 106 Ų | 106 | 150 Ų | 150 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | -175.7 | 139.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 175 | T | 51.9 | Low | 49.6 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | trans | -79.9 | 144.6 | 178.5 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 176 | E | 59.1 | Low | 49.4 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | 166.4 | 107.4 | 113.5 | -172.8 | 150.3 | 136.8 | 0 | 0 | 114.8 | |||||
| 177 | K | 48.5 | Very low | 49.5 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | 52.3 | 109 | 131.6 | -163.8 | -177.4 | -170.5 | 177.6 | 0 | 120.7 | ||||
| 178 | G | 43.4 | Very low | 49.6 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -162.3 | 99.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 179 | R | 48 | Very low | 49.3 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -64.9 | 134 | -176 | -95.6 | 179.9 | 160.3 | 165.5 | -5.9 | 116.9 | ||||
| 180 | S | 49.2 | Very low | 49.7 | Very low | 96 Ų | 96 | 152.1 Ų | 152.1 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | 68.5 | 123.7 | 124.7 | -48 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 181 | R | 51.7 | Low | 49.5 | Very low | 250 Ų | 250 | 145.8 Ų | 145.8 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | 154.7 | 140.8 | 112.4 | -84.3 | -172.5 | 176 | 148.5 | -0.7 | 112.5 | |||||
| 182 | A | 41.7 | Very low | 49.7 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -77.7 | 168.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 183 | G | 45.3 | Very low | 49.3 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 160.7 | 105.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 184 | D | 44.9 | Very low | 49.2 | Very low | 171 Ų | 171 | 142 Ų | 142 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | cis | 68.9 | 77 | 42.2 | -157.6 | 55.4 | 0 | 0 | 0 | 114 | ||||
| 185 | A | 52.7 | Low | 49.4 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -179.2 | 125.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 186 | G | 42.6 | Very low | 49.2 | Very low | 69 Ų | 69 | 147 Ų | 147 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | 110.7 | 68.7 | 16.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 187 | L | 49 | Very low | 49.3 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -145.5 | 102.5 | 161.8 | -79.2 | -174 | 0 | 0 | 0 | 109.2 | ||||
| 188 | D | 47 | Very low | 48.8 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -82.2 | 131.1 | 172.2 | -151.1 | -32.4 | 0 | 0 | 0 | 108.3 | ||||
| 189 | W | 43.8 | Very low | 48.8 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -128.6 | 113.8 | 174.6 | -177 | -86.2 | 0 | 0 | 0 | 110.1 | ||||
| 190 | P | 62.5 | Low | 48.7 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 58% | 0.584 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 145.7 | -175.7 | 30.2 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 191 | P | 55.5 | Low | 48.3 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142 | 177.5 | 30.6 | -34.3 | 0 | 0 | 0 | 111.7 | L193 | P191-L193 PolarHBondContact O-N 3.21Š|
| 192 | P | 57.7 | Low | 48.1 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123 | 176.8 | 30 | -32.4 | 0 | 0 | 0 | 111.9 | ||
| 193 | L | 44.4 | Very low | 48.2 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 2 | 135.9 | 153 | -146 | 77.8 | 0 | 0 | 0 | 119.2 | P191 | P191-L193 PolarHBondContact O-N 3.21Š| ||
| 194 | I | 45.5 | Very low | 48 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -57.8 | 145 | 161.4 | 60.4 | 178.7 | 0 | 0 | 0 | 112 | ||||
| 195 | E | 52.6 | Low | 48.3 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -146.2 | 108.4 | 158.4 | -130.1 | 170.5 | 172.1 | 0 | 0 | 109.8 | ||||
| 196 | E | 48 | Very low | 47.8 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -80.2 | 114.3 | -175.9 | -74.6 | -84.2 | 125.7 | 0 | 0 | 110.8 | ||||
| 197 | H | 60.7 | Low | 48.7 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -132 | 94.1 | 167.4 | -81.4 | -64.7 | 0 | 0 | 0 | 111.4 | ||||
| 198 | G | 38.8 | Very low | 48.4 | Very low | 83 Ų | 83 | 144.8 Ų | 144.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -82.1 | 126.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 199 | C | 42.6 | Very low | 48 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -174 | 135 | 160.6 | -169.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 200 | G | 46.1 | Very low | 48 | Very low | 58 Ų | 58 | 137.3 Ų | 137.3 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | cis | 176.9 | 158.9 | -4.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 201 | E | 41.2 | Very low | 46.8 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 55.1 | 85 | 150.9 | -160.1 | 164.6 | -164 | 0 | 0 | 119 | ||||
| 202 | L | 47 | Very low | 46.4 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -103.2 | 81.3 | 158.4 | -69 | -179.3 | 0 | 0 | 0 | 110.2 | W204 | L202-W204 PolarHBondContact O-N 3.37Š| ||
| 203 | G | 45.1 | Very low | 45.6 | Very low | 48 Ų | 48 | 137 Ų | 137 | 50% | 0.495 | 78% | 0.783 | S | S | . | * | trans | -90.9 | 24.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I205 | G203-I205 PolarHBondContact O-N 2.97Š| ||
| 204 | W | 40.8 | Very low | 46 | Very low | 226 Ų | 226 | 137.9 Ų | 137.9 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -93.2 | 87.7 | -175.9 | -44.6 | 116 | 0 | 0 | 0 | 110.3 | L202 | L202-W204 PolarHBondContact O-N 3.37Š| ||
| 205 | I | 50.1 | Low | 46 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -52.3 | 131.1 | -175.1 | -67.3 | 156.2 | 0 | 0 | 0 | 111.9 | G203 S207 | G203-I205 PolarHBondContact O-N 2.97Å; I205-S207 PolarHBondContact O-N 3.26Å; I205-S207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | M | 43.7 | Very low | 46.3 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | -67.5 | 104.5 | 164 | -72.6 | 174.5 | 58.1 | 0 | 0 | 109.4 | E208 | M206-E208 PolarHBondContact O-N 2.92Š| ||
| 207 | S | 61.4 | Low | 47 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -77.2 | 102.2 | 162.4 | -70.4 | 0 | 0 | 0 | 0 | 108.9 | I205 | I205-S207 PolarHBondContact O-N 3.26Å; I205-S207 VanDerWaalsContact O-N 3.14Å | ||
| 208 | E | 42.4 | Very low | 47.2 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -84.4 | 157.3 | 179.4 | -163.5 | 177 | 149.5 | 0 | 0 | 112.1 | M206 | M206-E208 PolarHBondContact O-N 2.92Š| ||
| 209 | A | 39 | Very low | 48.5 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | 64.6 | 99.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 210 | T | 42.2 | Very low | 49.9 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | -151.6 | 133 | 106.5 | -74.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 211 | A | 38.8 | Very low | 51.3 | Low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -105.7 | 116.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 212 | T | 46.8 | Very low | 53.1 | Low | 113 Ų | 113 | 131.5 Ų | 131.5 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | trans | -138.5 | 105.1 | 156.4 | 44.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 213 | P | 41 | Very low | 54.7 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -73.4 | 159.2 | 169.9 | 33.4 | -33.5 | 0 | 0 | 0 | 109.5 | ||||
| 214 | E | 51.3 | Low | 56.5 | Low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 73.9 | 96.7 | 178 | -161.3 | -172.4 | 164.7 | 0 | 0 | 114.2 | ||
| 215 | Q | 46.3 | Very low | 58.5 | Low | 155 Ų | 155 | 125.7 Ų | 125.7 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | trans | 166.5 | -22.5 | 146.2 | -82.4 | -88.6 | -38.3 | 0 | 0 | 112.3 | G217 | Q215-G217 VanDerWaalsContact C-N 3.28Å; Q215-G217 PolarHBondContact O-N 2.98Å | ||
| 216 | D | 58.5 | Low | 60 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -60.9 | -15.3 | -166.3 | -57 | -39.9 | 0 | 0 | 0 | 118.3 | L218 E219 C220 | D216-L218 VanDerWaalsContact C-N 3.28Å; D216-L218 PolarHBondContact O-N 3.39Å; D216-E219 PolarHBondContact O-N 3.46Å; D216-C220 PolarHBondContact O-N 3.28Å; D216-C220 VanDerWaalsContact O-N 3.15Å |
| 217 | G | 62.8 | Low | 61.7 | Low | 66 Ų | 66 | 120.9 Ų | 120.9 | 68% | 0.68 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.2 | -30.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q215 | Q215-G217 VanDerWaalsContact C-N 3.28Å; Q215-G217 PolarHBondContact O-N 2.98Å |
| 218 | L | 65.8 | Low | 62.6 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -86.8 | -39.7 | 178.4 | -69.2 | 167.8 | 0 | 0 | 0 | 111.7 | D216 C220 Y221 Y222 | D216-L218 VanDerWaalsContact C-N 3.28Å; D216-L218 PolarHBondContact O-N 3.39Å; L218-C220 VanDerWaalsContact C-N 3.3Å; L218-C220 PolarHBondContact O-N 2.99Å; L218-Y221 PolarHBondContact O-N 3.15Å; L218-Y221 VanDerWaalsContact O-N 3.09Å; L218-Y222 WeakPolarHBondContact O-CD2 3.42Å; L218-Y222 PolarHBondContact O-N 3.11Å |
| 219 | E | 66.6 | Low | 64.2 | Low | 139 Ų | 139 | 114.2 Ų | 114.2 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.1 | -39 | 177.7 | -66.3 | -157.1 | 167.6 | 0 | 0 | 111.9 | D216 Y221 Y222 Q223 | D216-E219 PolarHBondContact O-N 3.46Å; E219-Y221 VanDerWaalsContact C-N 3.3Å; E219-Y221 PolarHBondContact O-N 3.05Å; E219-Y222 PolarHBondContact O-N 3.34Å; E219-Q223 VanDerWaalsContact O-CB 3.24Å; E219-Q223 WeakPolarHBondContact O-CB 3.33Å; E219-Q223 PolarHBondContact O-N 3.35Å |
| 220 | C | 70.7 | Confident | 66.1 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.2 | -40.7 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | D216 L218 Y224 | D216-C220 PolarHBondContact O-N 3.28Å; D216-C220 VanDerWaalsContact O-N 3.15Å; L218-C220 VanDerWaalsContact C-N 3.3Å; L218-C220 PolarHBondContact O-N 2.99Å; C220-Y224 WeakPolarHBondContact O-CB 3.41Å; C220-Y224 PolarHBondContact O-N 3.38Å; C220-Y224 VanDerWaalsContact O-N 3.11Å |
| 221 | Y | 76.8 | Confident | 67.6 | Low | 151 Ų | 151 | 113.5 Ų | 113.5 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.4 | -45 | 177.3 | -178.2 | -98.4 | 0 | 0 | 0 | 112.1 | L218 E219 Q223 Y224 C225 | L218-Y221 PolarHBondContact O-N 3.15Å; L218-Y221 VanDerWaalsContact O-N 3.09Å; E219-Y221 VanDerWaalsContact C-N 3.3Å; E219-Y221 PolarHBondContact O-N 3.05Å; Y221-Q223 PolarHBondContact O-N 3.01Å; Y221-Y224 PolarHBondContact O-N 2.94Å; Y221-C225 PolarHBondContact O-N 3.42Å; Y221-C225 PolarHBondContact O-SG 3.15Å; Y221-C225 VanDerWaalsContact O-SG 3.37Å |
| 222 | Y | 77.5 | Confident | 69 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -42.4 | 176.7 | -87.2 | -78.3 | 0 | 0 | 0 | 112.3 | L218 E219 Y224 C225 L226 | L218-Y222 WeakPolarHBondContact O-CD2 3.42Å; L218-Y222 PolarHBondContact O-N 3.11Å; E219-Y222 PolarHBondContact O-N 3.34Å; Y222-Y224 VanDerWaalsContact C-N 3.33Å; Y222-Y224 PolarHBondContact O-N 3.29Å; Y222-C225 PolarHBondContact O-N 2.93Å; Y222-L226 WeakPolarHBondContact O-CG 3.37Å; Y222-L226 PolarHBondContact O-N 3.37Å |
| 223 | Q | 81.6 | Confident | 70.2 | Confident | 121 Ų | 121 | 117.1 Ų | 117.1 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.3 | -39.9 | 176.2 | -166.8 | 64.6 | 27.5 | 0 | 0 | 111.5 | E219 Y221 Q227 | E219-Q223 VanDerWaalsContact O-CB 3.24Å; E219-Q223 WeakPolarHBondContact O-CB 3.33Å; E219-Q223 PolarHBondContact O-N 3.35Å; Y221-Q223 PolarHBondContact O-N 3.01Å; Q223-Q227 WeakPolarHBondContact O-CB 3.23Å; Q223-Q227 PolarHBondContact O-N 2.9Å |
| 224 | Y | 82.7 | Confident | 71.2 | Confident | 147 Ų | 147 | 116 Ų | 116 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.9 | -41.3 | 174 | 178.8 | -108 | 0 | 0 | 0 | 112.7 | C220 Y221 Y222 Q227 L228 | C220-Y224 WeakPolarHBondContact O-CB 3.41Å; C220-Y224 PolarHBondContact O-N 3.38Å; C220-Y224 VanDerWaalsContact O-N 3.11Å; Y221-Y224 PolarHBondContact O-N 2.94Å; Y222-Y224 VanDerWaalsContact C-N 3.33Å; Y222-Y224 PolarHBondContact O-N 3.29Å; Y224-Q227 PolarHBondContact O-N 3.29Å; Y224-L228 HydrophobicContact CD1-CD1 3.94Å; Y224-L228 HydrophobicContact CE1-CD1 3.37Å; Y224-L228 HydrophobicContact CE1-CG 4.34Å; Y224-L228 HydrophobicContact CE2-CD1 4.25Å; Y224-L228 HydrophobicContact CE2-CG 4.41Å; Y224-L228 PolarHBondContact O-N 3.23Å |
| 225 | C | 81.6 | Confident | 71.6 | Confident | 48 Ų | 48 | 113.5 Ų | 113.5 | 32% | 0.324 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -44.3 | 175.9 | -73.7 | 0 | 0 | 0 | 0 | 112.4 | Y221 Y222 L228 E229 | Y221-C225 PolarHBondContact O-N 3.42Å; Y221-C225 PolarHBondContact O-SG 3.15Å; Y221-C225 VanDerWaalsContact O-SG 3.37Å; Y222-C225 PolarHBondContact O-N 2.93Å; C225-L228 PolarHBondContact O-N 3.02Å; C225-E229 PolarHBondContact O-N 2.82Å |
| 226 | L | 82.7 | Confident | 71.9 | Confident | 94 Ų | 94 | 109.2 Ų | 109.2 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -43 | 175.5 | -69.1 | 171.8 | 0 | 0 | 0 | 111.4 | Y222 L228 E229 E230 | Y222-L226 WeakPolarHBondContact O-CG 3.37Å; Y222-L226 PolarHBondContact O-N 3.37Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 3.09Å; L226-E229 PolarHBondContact O-N 3Å; L226-E229 VanDerWaalsContact O-N 3.15Å; L226-E230 WeakPolarHBondContact O-CB 3.4Å; L226-E230 PolarHBondContact O-N 2.9Å |
| 227 | Q | 78.5 | Confident | 71.3 | Confident | 121 Ų | 121 | 107.5 Ų | 107.5 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -37.4 | 177 | -165.9 | 73.6 | 56.7 | 0 | 0 | 112.7 | Q223 Y224 L231 | Q223-Q227 WeakPolarHBondContact O-CB 3.23Å; Q223-Q227 PolarHBondContact O-N 2.9Å; Y224-Q227 PolarHBondContact O-N 3.29Å; Q227-L231 WeakPolarHBondContact O-CB 3.39Å; Q227-L231 PolarHBondContact O-N 3.4Å; Q227-L231 VanDerWaalsContact O-N 3.09Å |
| 228 | L | 80.1 | Confident | 70.5 | Confident | 67 Ų | 67 | 112.5 Ų | 112.5 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -39.7 | 172.9 | -86.2 | 170.1 | 0 | 0 | 0 | 112.4 | Y224 C225 L226 L231 M232 | Y224-L228 HydrophobicContact CD1-CD1 3.94Å; Y224-L228 HydrophobicContact CE1-CD1 3.37Å; Y224-L228 HydrophobicContact CE1-CG 4.34Å; Y224-L228 HydrophobicContact CE2-CD1 4.25Å; Y224-L228 HydrophobicContact CE2-CG 4.41Å; Y224-L228 PolarHBondContact O-N 3.23Å; C225-L228 PolarHBondContact O-N 3.02Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.95Å; L228-M232 WeakPolarHBondContact O-CG 3.35Å; L228-M232 PolarHBondContact O-N 2.71Å |
| 229 | E | 77.6 | Confident | 69.8 | Low | 81 Ų | 81 | 112.5 Ų | 112.5 | 38% | 0.379 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.8 | -40.5 | 178.5 | -150.2 | -169.9 | -167 | 0 | 0 | 111.5 | C225 L226 M232 R233 | C225-E229 PolarHBondContact O-N 2.82Å; L226-E229 PolarHBondContact O-N 3Å; L226-E229 VanDerWaalsContact O-N 3.15Å; E229-M232 PolarHBondContact O-N 3.45Å; E229-R233 WeakPolarHBondContact O-CG 3.48Å; E229-R233 PolarHBondContact O-N 3.03Å; E229-R233 IonicContact OE1-CZ 3.61Å; E229-R233 IonicContact OE1-NH1 3.83Å; E229-R233 IonicContact OE1-NH2 2.82Å; E229-R233 PolarHBondContact OE1-NH2 3.38Å; E229-R233 IonicContact OE2-CZ 3.23Å; E229-R233 VanDerWaalsContact OE2-CZ 3.23Å; E229-R233 IonicContact OE2-NH1 2.71Å; E229-R233 PolarHBondContact OE2-NH1 2.98Å; E229-R233 IonicContact OE2-NH2 2.95Å; E229-R233 PolarHBondContact OE2-NH2 3.18Å |
| 230 | E | 77.7 | Confident | 68.8 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.4 | -48.1 | 170.8 | -158.5 | 85.3 | -122.1 | 0 | 0 | 111.1 | L226 M232 R233 C234 | L226-E230 WeakPolarHBondContact O-CB 3.4Å; L226-E230 PolarHBondContact O-N 2.9Å; E230-M232 VanDerWaalsContact C-N 3.31Å; E230-M232 PolarHBondContact O-N 3.42Å; E230-R233 PolarHBondContact O-N 3.03Å; E230-C234 PolarHBondContact O-N 3.47Å; E230-C234 PolarHBondContact O-SG 3.36Å |
| 231 | L | 75.1 | Confident | 68.7 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -33.6 | 179.2 | -171.7 | 67.1 | 0 | 0 | 0 | 112.8 | Q227 L228 N235 | Q227-L231 WeakPolarHBondContact O-CB 3.39Å; Q227-L231 PolarHBondContact O-N 3.4Å; Q227-L231 VanDerWaalsContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.95Å; L231-N235 PolarHBondContact O-N 3.32Å; L231-N235 PolarHBondContact O-ND2 3.15Å |
| 232 | M | 68.2 | Low | 68.3 | Low | 135 Ų | 135 | 121 Ų | 121 | 67% | 0.665 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.9 | -34.7 | 173.9 | -70.8 | -170.1 | -62.7 | 0 | 0 | 112.6 | L228 E229 E230 N235 | L228-M232 WeakPolarHBondContact O-CG 3.35Å; L228-M232 PolarHBondContact O-N 2.71Å; E229-M232 PolarHBondContact O-N 3.45Å; E230-M232 VanDerWaalsContact C-N 3.31Å; E230-M232 PolarHBondContact O-N 3.42Å; M232-N235 PolarHBondContact O-N 3.29Å |
| 233 | R | 70.6 | Confident | 67.8 | Low | 146 Ų | 146 | 119.1 Ų | 119.1 | 55% | 0.551 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.2 | -43.9 | 173.1 | -76.6 | 176.9 | 178.5 | 113.3 | 10.1 | 111.8 | E229 E230 N235 G236 | E229-R233 WeakPolarHBondContact O-CG 3.48Å; E229-R233 PolarHBondContact O-N 3.03Å; E229-R233 IonicContact OE1-CZ 3.61Å; E229-R233 IonicContact OE1-NH1 3.83Å; E229-R233 IonicContact OE1-NH2 2.82Å; E229-R233 PolarHBondContact OE1-NH2 3.38Å; E229-R233 IonicContact OE2-CZ 3.23Å; E229-R233 VanDerWaalsContact OE2-CZ 3.23Å; E229-R233 IonicContact OE2-NH1 2.71Å; E229-R233 PolarHBondContact OE2-NH1 2.98Å; E229-R233 IonicContact OE2-NH2 2.95Å; E229-R233 PolarHBondContact OE2-NH2 3.18Å; E230-R233 PolarHBondContact O-N 3.03Å; R233-N235 VanDerWaalsContact C-N 3.31Å; R233-N235 PolarHBondContact O-N 3.48Å; R233-G236 PolarHBondContact O-N 3.32Å |
| 234 | C | 61.8 | Low | 67 | Low | 96 Ų | 96 | 118.9 Ų | 118.9 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.3 | -23 | -179.4 | -66.4 | 0 | 0 | 0 | 0 | 114.3 | E230 | E230-C234 PolarHBondContact O-N 3.47Å; E230-C234 PolarHBondContact O-SG 3.36Å |
| 235 | N | 60.7 | Low | 66 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 5.7 | -179.8 | -75.4 | -36.2 | 0 | 0 | 0 | 114.5 | L231 M232 R233 G237 | L231-N235 PolarHBondContact O-N 3.32Å; L231-N235 PolarHBondContact O-ND2 3.15Å; M232-N235 PolarHBondContact O-N 3.29Å; R233-N235 VanDerWaalsContact C-N 3.31Å; R233-N235 PolarHBondContact O-N 3.48Å; N235-G237 PolarHBondContact O-N 3.4Å |
| 236 | G | 53.4 | Low | 65 | Low | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | trans | -76.2 | 2.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | R233 M238 | R233-G236 PolarHBondContact O-N 3.32Å; G236-M238 PolarHBondContact O-N 2.7Å; G236-M238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | G | 44.1 | Very low | 63.7 | Low | 74 Ų | 74 | 123.8 Ų | 123.8 | 76% | 0.763 | 65% | 0.652 | S | S | * | * | trans | -83.7 | 77.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N235 | N235-G237 PolarHBondContact O-N 3.4Š| ||
| 238 | M | 47.9 | Very low | 62.6 | Low | 171 Ų | 171 | 124 Ų | 124 | 84% | 0.842 | 66% | 0.659 | S | S | * | * | trans | -121.6 | 111.5 | 162.9 | -113.1 | -68.3 | -171.6 | 0 | 0 | 109.5 | G236 | G236-M238 PolarHBondContact O-N 2.7Å; G236-M238 VanDerWaalsContact O-N 3.15Å | ||
| 239 | P | 50.5 | Low | 61.1 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | trans | -71.8 | 143.2 | 177.2 | 30.4 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 240 | R | 45.7 | Very low | 59.6 | Low | 322 Ų | 322 | 133.1 Ų | 133.1 | 100% | 1.215 | 71% | 0.713 | S | S | * | * | trans | -97.8 | 0 | 159.9 | -82 | -174.3 | 172 | -97.9 | 2.3 | 109.6 |
Retrieved 240 of 240 residues in 83.2 ms
(Link to these results)