| 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 | 44.8 | Very low | 44.6 | Very low | 228 Ų | 228 | 145.3 Ų | 145.3 | 100% | 1.123 | 78% | 0.782 | S | S | * | * | 0 | 81.2 | 0 | -58.4 | 176.9 | -172.8 | 0 | 0 | 105.5 | |||||
| 2 | N | 41.3 | Very low | 44.3 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | cis | 60.2 | 124.4 | 47.5 | -58.1 | 53 | 0 | 0 | 0 | 110.1 | ||||
| 3 | E | 46.9 | Very low | 44.1 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | cis | -145.7 | 141 | 5.4 | -104.8 | 149.8 | 113 | 0 | 0 | 108.4 | ||||
| 4 | S | 42.8 | Very low | 44 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 76.8 | 139.9 | 78.5 | -55.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 5 | S | 52.9 | Low | 43.7 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 77.7 | 144.2 | 173.1 | -67 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 6 | N | 47.3 | Very low | 43.3 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | cis | -172.1 | 130.4 | -27.3 | -121.1 | -56.5 | 0 | 0 | 0 | 110 | ||||
| 7 | R | 45.2 | Very low | 43.1 | Very low | 211 Ų | 211 | 143.9 Ų | 143.9 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 60.1 | 157 | 152.6 | -61 | 163.4 | -163 | -151.7 | -3.7 | 116.6 | ||||
| 8 | N | 42.4 | Very low | 42.7 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | cis | -164.7 | 157.7 | -12.3 | -104.5 | 4.8 | 0 | 0 | 0 | 105.7 | ||||
| 9 | S | 41.2 | Very low | 42.6 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | cis | -165 | -161.7 | -9.2 | -170 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 10 | L | 41.8 | Very low | 42.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 63.9 | 95.8 | 172.1 | -95.7 | 68.9 | 0 | 0 | 0 | 118.4 | ||||
| 11 | V | 44 | Very low | 42 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | 36.5 | 122.8 | 120.8 | -176.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 12 | G | 41.4 | Very low | 41.6 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 105.1 | 131.6 | 27.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | R | 41.7 | Very low | 41.4 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | cis | -141.4 | 150 | 25.1 | -74.9 | 173.9 | 160.9 | 149.9 | -7 | 114.5 | ||||
| 14 | N | 41.7 | Very low | 41 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -34 | 124.1 | 154.2 | -67.5 | 11.1 | 0 | 0 | 0 | 114.3 | ||||
| 15 | T | 40.5 | Very low | 40.5 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | 89.6 | 126.8 | 86.6 | 69.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 16 | G | 37.5 | Very low | 39.6 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -166.2 | 77.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | N18 | G16-N18 PolarHBondContact O-N 3.48Š| ||
| 17 | L | 39.7 | Very low | 39 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | trans | -74.1 | 122.5 | -177.5 | -70.2 | 167.9 | 0 | 0 | 0 | 111 | ||||
| 18 | N | 36.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -149.3 | 144.5 | 143.5 | -154.5 | -6.8 | 0 | 0 | 0 | 109.5 | G16 | G16-N18 PolarHBondContact O-N 3.48Š| ||
| 19 | S | 40.6 | Very low | 38.2 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 62% | 0.615 | 82% | 0.818 | S | S | * | * | trans | -116.3 | 141.8 | -159.2 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 20 | N | 34.5 | Very low | 38 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | 54.4 | 91.8 | 151.3 | -58.1 | -9.5 | 0 | 0 | 0 | 117.5 | ||||
| 21 | A | 37.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -119.3 | 86.3 | 156 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 22 | M | 36.1 | Very low | 37.5 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 137.8 | 161.1 | -65.5 | -173 | -173.4 | 0 | 0 | 108.6 | ||||
| 23 | R | 38.6 | Very low | 37.1 | Very low | 247 Ų | 247 | 148 Ų | 148 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -145.7 | 135 | 166.4 | -104.4 | -176.9 | 177.6 | 162.7 | 1.2 | 110 | ||||
| 24 | D | 37.1 | Very low | 36.8 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | -80.1 | 137.3 | -160.5 | -66.1 | -89.2 | 0 | 0 | 0 | 115.9 | L26 | D24-L26 PolarHBondContact O-N 3.12Š| ||
| 25 | S | 33.5 | Very low | 36.6 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | 30.4 | 81.7 | 123.4 | -49.4 | 0 | 0 | 0 | 0 | 117.6 | R27 | S25-R27 PolarHBondContact O-N 3.3Å; S25-R27 VanDerWaalsContact O-N 3.12Å | |||
| 26 | L | 34.4 | Very low | 36.3 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -69.1 | 104.8 | 159.3 | -77.2 | 173.5 | 0 | 0 | 0 | 109.8 | D24 V28 | D24-L26 PolarHBondContact O-N 3.12Å; L26-V28 PolarHBondContact O-N 3.33Å | ||
| 27 | R | 34.6 | Very low | 36.1 | Very low | 227 Ų | 227 | 142.9 Ų | 142.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -67.6 | 117.9 | 173.4 | -64.9 | -177.7 | -179 | -173.1 | 0.2 | 110.1 | S25 | S25-R27 PolarHBondContact O-N 3.3Å; S25-R27 VanDerWaalsContact O-N 3.12Å | ||
| 28 | V | 37 | Very low | 36 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -79 | 120.5 | 157.4 | 178 | 0 | 0 | 0 | 0 | 107.2 | L26 S30 | L26-V28 PolarHBondContact O-N 3.33Å; V28-S30 PolarHBondContact O-N 3.11Å; V28-S30 VanDerWaalsContact O-N 3.11Å | ||
| 29 | L | 33.1 | Very low | 36 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -76.2 | 96.1 | -179.1 | -74.8 | 165.6 | 0 | 0 | 0 | 110.7 | ||||
| 30 | S | 36.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -85.9 | 104.4 | 160.1 | 47.7 | 0 | 0 | 0 | 0 | 109.2 | V28 P32 | V28-S30 PolarHBondContact O-N 3.11Å; V28-S30 VanDerWaalsContact O-N 3.11Å; S30-P32 WeakPolarHBondContact O-CD 3.37Å | ||
| 31 | S | 35.2 | Very low | 35.9 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 122.7 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | C33 | S31-C33 PolarHBondContact O-N 3.38Š| ||
| 32 | P | 40.6 | Very low | 35.9 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -86.5 | 104.6 | 164.9 | 32.9 | -26.9 | 0 | 0 | 0 | 109 | S30 A34 | S30-P32 WeakPolarHBondContact O-CD 3.37Å; P32-A34 VanDerWaalsContact C-N 3.28Å; P32-A34 PolarHBondContact O-N 3.4Å | ||
| 33 | C | 33.3 | Very low | 36 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 85.8 | 168.4 | -71.2 | 0 | 0 | 0 | 0 | 109.6 | S31 V35 | S31-C33 PolarHBondContact O-N 3.38Å; C33-V35 PolarHBondContact O-N 3.49Å | ||
| 34 | A | 35.1 | Very low | 35.9 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -68.7 | 123.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P32 | P32-A34 VanDerWaalsContact C-N 3.28Å; P32-A34 PolarHBondContact O-N 3.4Å | ||
| 35 | V | 36.7 | Very low | 35.8 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -119.6 | 113.8 | 166.9 | -179 | 0 | 0 | 0 | 0 | 108.1 | C33 T37 | C33-V35 PolarHBondContact O-N 3.49Å; V35-T37 PolarHBondContact O-N 3.5Å | ||
| 36 | T | 34.4 | Very low | 36 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -34.8 | 118 | -176.4 | -48.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 37 | T | 34.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -82.6 | 112.4 | 158.1 | -46 | 0 | 0 | 0 | 0 | 108.4 | V35 T39 | V35-T37 PolarHBondContact O-N 3.5Å; T37-T39 PolarHBondContact O-N 2.93Å | ||
| 38 | A | 37.1 | Very low | 36.2 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 123.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | T | 35.7 | Very low | 36.3 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -75.2 | 137.5 | 176 | 50 | 0 | 0 | 0 | 0 | 111 | T37 | T37-T39 PolarHBondContact O-N 2.93Š| ||
| 40 | N | 36.4 | Very low | 36.6 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -135.8 | 135.9 | 147.6 | -114.1 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 41 | V | 37.1 | Very low | 36.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -103.6 | 131.6 | -173.8 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 42 | L | 36.8 | Very low | 36.5 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -145.1 | 125.3 | 147.3 | -146.4 | 73.9 | 0 | 0 | 0 | 109.8 | ||||
| 43 | E | 37.7 | Very low | 36.4 | Very low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -80.3 | 143.6 | 177 | -63.5 | 172.4 | 88.5 | 0 | 0 | 110.6 | ||||
| 44 | N | 37.3 | Very low | 36.3 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -154.3 | 147.2 | 133.3 | -116 | -44 | 0 | 0 | 0 | 112.4 | ||||
| 45 | R | 35.4 | Very low | 36.5 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -103.4 | 134.8 | -171.2 | -70.2 | 162.8 | 143 | -171.6 | -5 | 111.9 | ||||
| 46 | S | 37.3 | Very low | 36.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -170.4 | 83 | 144.8 | 43.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 47 | N | 37.9 | Very low | 36.3 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 39 | 116.7 | 131 | -70.4 | -3.5 | 0 | 0 | 0 | 123.3 | ||||
| 48 | Y | 35.7 | Very low | 36.2 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 67.1 | 163.8 | 137.1 | -74.5 | -94.5 | 0 | 0 | 0 | 119.4 | ||||
| 49 | P | 39.6 | Very low | 36 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | -128.9 | 170.9 | -65.4 | 36.1 | -18.6 | 0 | 0 | 0 | 112.8 | |||||
| 50 | P | 37.7 | Very low | 36 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 156.1 | 178.3 | 33.3 | -36.3 | 0 | 0 | 0 | 113.2 | ||||
| 51 | N | 35.8 | Very low | 35.8 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -143 | 155.2 | 164.4 | -159.1 | 1.3 | 0 | 0 | 0 | 111.2 | ||||
| 52 | T | 34.6 | Very low | 35.8 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -114.7 | 138.2 | -167.6 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 53 | S | 39 | Very low | 35.7 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -154.9 | 127.3 | 153.6 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | N | 30.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 141 | 161.2 | -72.4 | -44.4 | 0 | 0 | 0 | 108.7 | ||||
| 55 | H | 40.2 | Very low | 35.6 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -162.4 | 132.4 | 137.2 | -105.3 | -75.1 | 0 | 0 | 0 | 108.3 | ||||
| 56 | G | 31.7 | Very low | 35.6 | Very low | 60 Ų | 60 | 147 Ų | 147 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | trans | -117.3 | 159.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 57 | F | 34.4 | Very low | 35.5 | Very low | 201 Ų | 201 | 147 Ų | 147 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -160.7 | 164.1 | 141.4 | -109.5 | -71.3 | 0 | 0 | 0 | 110.8 | ||||
| 58 | L | 32 | Very low | 35.4 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -63.3 | 155.5 | -174.7 | -53.5 | 161.9 | 0 | 0 | 0 | 112.6 | ||||
| 59 | Y | 33.5 | Very low | 35.4 | Very low | 214 Ų | 214 | 142.7 Ų | 142.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | -171.8 | 177.4 | 100.1 | -112.1 | -84.7 | 0 | 0 | 0 | 113.8 | |||||
| 60 | S | 34.9 | Very low | 35.2 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | trans | -85.7 | 152.5 | -150.8 | -48 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 61 | E | 33.4 | Very low | 34.8 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | 75 | 147.6 | 127.4 | -86.3 | -176 | -170.4 | 0 | 0 | 125 | |||||
| 62 | N | 36.2 | Very low | 34.6 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 67 | 122.3 | 150.2 | -60.5 | -30.5 | 0 | 0 | 0 | 120.8 | ||||
| 63 | G | 35.1 | Very low | 34.4 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 152.5 | 84.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 64 | F | 37.4 | Very low | 34.1 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | 58.3 | 140.6 | 146.9 | -76.9 | -90.2 | 0 | 0 | 0 | 122.9 | ||||
| 65 | N | 34.5 | Very low | 34 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -76.2 | 140.9 | 173.2 | -59.2 | -81 | 0 | 0 | 0 | 113 | ||||
| 66 | K | 35.1 | Very low | 33.9 | Very low | 205 Ų | 205 | 142 Ų | 142 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | -163 | 140 | 129.9 | -109.4 | 164 | -175.4 | 177.8 | 0 | 111.3 | |||||
| 67 | P | 36.2 | Very low | 34.1 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -92.1 | 153.7 | -179 | 36.3 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 68 | I | 36.3 | Very low | 34.1 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -150 | 121 | 159.2 | -109 | 154 | 0 | 0 | 0 | 111.6 | ||||
| 69 | S | 34.1 | Very low | 34.3 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 43.6 | 135.7 | 140.4 | -46.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 70 | T | 35.7 | Very low | 34.2 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | 79.6 | 131.3 | 135.5 | 40.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 71 | F | 29.1 | Very low | 34.5 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 162.7 | 171.3 | -62.1 | -100.1 | 0 | 0 | 0 | 112.3 | ||||
| 72 | S | 33.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -137.7 | 126.2 | 151.1 | -73 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 73 | N | 30.5 | Very low | 34.4 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -80 | 154.6 | 172.7 | -75.6 | -7.4 | 0 | 0 | 0 | 110.1 | ||||
| 74 | C | 31.3 | Very low | 34.1 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -131.7 | 110.2 | 163 | -63 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 75 | S | 30.1 | Very low | 34 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -88 | 154.7 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 76 | V | 37.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -141.2 | 146.3 | 155.8 | -76.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 77 | D | 35.5 | Very low | 34 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -117.3 | 169.7 | -153.9 | -80 | -73.8 | 0 | 0 | 0 | 115.6 | ||||
| 78 | S | 35.3 | Very low | 34.1 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 73.8 | 151.1 | 157.9 | 74.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 79 | C | 35.6 | Very low | 34 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | cis | -148 | 178 | 19.3 | -146.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 80 | F | 31.8 | Very low | 34.1 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -85.1 | -177.3 | -171.6 | -82.3 | -92.5 | 0 | 0 | 0 | 113.9 | ||||
| 81 | P | 40.7 | Very low | 34 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -140.4 | 164 | 13.8 | 42.5 | -23.3 | 0 | 0 | 0 | 120.4 | ||||
| 82 | D | 31.7 | Very low | 34.4 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | trans | 28.8 | 134 | 139.4 | -48.9 | -28.9 | 0 | 0 | 0 | 123.9 | ||||
| 83 | L | 35.2 | Very low | 34.5 | Very low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | -154.7 | 144.2 | 119.9 | -110.5 | 174.2 | 0 | 0 | 0 | 110.9 | |||||
| 84 | T | 30.3 | Very low | 34.9 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -122.8 | 137.3 | -161.8 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 85 | V | 35.6 | Very low | 34.9 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -141.2 | 134.9 | 153.9 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 86 | S | 32.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -122.5 | 158.1 | -178.2 | -56 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 87 | M | 37.2 | Very low | 35.2 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -151.5 | 124.3 | 147.1 | -151.1 | 103.3 | -172.2 | 0 | 0 | 111.1 | ||||
| 88 | E | 38 | Very low | 35 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 32.8 | 115.5 | 150.8 | -66.5 | 155.1 | 176.5 | 0 | 0 | 119.7 | ||||
| 89 | Q | 33.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | cis | 78.8 | 115.4 | 47.7 | -64.8 | -170.3 | -8.9 | 0 | 0 | 116.8 | ||||
| 90 | N | 37.1 | Very low | 35 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | -176.8 | 112.9 | 129.8 | -93 | -59 | 0 | 0 | 0 | 106.4 | |||||
| 91 | L | 33.2 | Very low | 35 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | 58.4 | 133.8 | 88.5 | -83.5 | 81.2 | 0 | 0 | 0 | 113 | |||||
| 92 | V | 38.1 | Very low | 34.9 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -137.5 | 165.1 | 32.6 | 177.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 93 | T | 34.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -49.7 | 173.8 | 166.4 | 14.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 94 | D | 39.3 | Very low | 35.6 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | -157.5 | -179.5 | 42.2 | -136.7 | -39.7 | 0 | 0 | 0 | 116.6 | ||||
| 95 | Y | 31.4 | Very low | 36.9 | Very low | 214 Ų | 214 | 135.3 Ų | 135.3 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -62 | 167.6 | 176.9 | -77.6 | -115.8 | 0 | 0 | 0 | 112.8 | ||||
| 96 | S | 40.1 | Very low | 37.7 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -164.9 | -179.6 | 40.5 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 97 | Q | 33.6 | Very low | 38.8 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -55.9 | 163.7 | 168.7 | -74.4 | 165.4 | -62.2 | 0 | 0 | 112.6 | ||||
| 98 | C | 31.3 | Very low | 39.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | cis | -162.5 | 178.9 | 40.2 | 65.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 99 | H | 33.6 | Very low | 39.3 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -16.9 | 137.7 | 174.9 | -46.4 | -76.9 | 0 | 0 | 0 | 121 | ||||
| 100 | S | 38.3 | Very low | 40.1 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -173 | 166.6 | 109.4 | -82.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 101 | C | 30.7 | Very low | 40.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -78.2 | 156.5 | -173.4 | 54.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 102 | G | 38.3 | Very low | 41.1 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -176.6 | 74.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 103 | S | 37.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -106.9 | 127 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | S | 44.2 | Very low | 41.5 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -125.4 | 117.1 | 179.4 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 105 | P | 58 | Low | 41.6 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 164.7 | 177.2 | 36.1 | -34.7 | 0 | 0 | 0 | 113 | ||
| 106 | P | 51.7 | Low | 42 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 156.6 | 172.8 | 31.9 | -35.8 | 0 | 0 | 0 | 112.8 | ||
| 107 | P | 57.3 | Low | 42.3 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76 | 154.2 | -176.7 | 31.1 | -35.9 | 0 | 0 | 0 | 113.9 | ||
| 108 | P | 46 | Very low | 42.6 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 162.5 | -172.5 | 36.6 | -37.1 | 0 | 0 | 0 | 114.5 | ||
| 109 | A | 39.3 | Very low | 42.9 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86 | 156.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 110 | L | 49.6 | Very low | 43.1 | Very low | 172 Ų | 172 | 119.6 Ų | 119.6 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -119 | 151.3 | 170 | -67.2 | 176.7 | 0 | 0 | 0 | 110.5 | ||||
| 111 | S | 42.5 | Very low | 42.9 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -136.6 | -168.3 | -169.5 | -40.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 112 | P | 48.6 | Very low | 43.1 | Very low | 116 Ų | 116 | 120 Ų | 120 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -121.6 | 169.5 | -128.2 | 31.3 | -9.1 | 0 | 0 | 0 | 116.4 | |||||
| 113 | V | 42.7 | Very low | 43 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -147.5 | 131.1 | 162.5 | 134.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 114 | S | 37.5 | Very low | 43.1 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | cis | 92.2 | 88.1 | 29.1 | -58.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 115 | S | 41.6 | Very low | 42.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -157.6 | 151.1 | 156.2 | -79.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 116 | S | 40.8 | Very low | 41.8 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -129.3 | -159.7 | -162.3 | -45.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 117 | P | 45.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -118.5 | -176.5 | -131.2 | 36 | -15.6 | 0 | 0 | 0 | 114.9 | ||||
| 118 | T | 40.4 | Very low | 40.9 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 179.8 | 152.4 | 130 | 25.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 119 | H | 37.3 | Very low | 40.8 | Very low | 193 Ų | 193 | 125.8 Ų | 125.8 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | trans | 24.6 | 146.1 | 153.8 | -69.9 | -80.6 | 0 | 0 | 0 | 125 | ||||
| 120 | G | 36.7 | Very low | 41.1 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | 127.7 | 60.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 121 | S | 35.1 | Very low | 41 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | 57.7 | 119.1 | 93.9 | 74.4 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 122 | N | 35.5 | Very low | 41 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 106.1 | 132.1 | 139 | -132.5 | 10.5 | 0 | 0 | 0 | 121.3 | ||||
| 123 | N | 34.6 | Very low | 41.2 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 58% | 0.578 | 76% | 0.759 | S | S | * | * | trans | 71.5 | 106.5 | 151.7 | -73.5 | -24.3 | 0 | 0 | 0 | 125.3 | ||||
| 124 | Q | 41.1 | Very low | 41.7 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | 79 | 135.6 | 117.9 | -66.4 | 174 | 39.6 | 0 | 0 | 122.6 | |||||
| 125 | N | 34.3 | Very low | 41.9 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 66.5 | 141 | 157.9 | -69.9 | -7.9 | 0 | 0 | 0 | 117.7 | ||||
| 126 | N | 40.2 | Very low | 42.3 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -134.4 | 166.1 | 11.3 | -82.3 | -58.4 | 0 | 0 | 0 | 113.4 | ||||
| 127 | Q | 44.3 | Very low | 42.3 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -92 | 164.2 | 164.7 | -87.6 | -79.4 | -37.8 | 0 | 0 | 111.2 | ||||
| 128 | P | 44.6 | Very low | 42.2 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | -147.7 | 142.2 | 102.6 | 36.7 | -20.3 | 0 | 0 | 0 | 117 | |||||
| 129 | S | 44.2 | Very low | 42.2 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 46.3 | 144.9 | 125.5 | -53.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 130 | S | 45.4 | Very low | 42.3 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | cis | 177.4 | -170.8 | 3.9 | 48.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 131 | P | 48 | Very low | 42.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -126.2 | -163.8 | -14.4 | 39 | -20.3 | 0 | 0 | 0 | 113.2 | ||||
| 132 | S | 42 | Very low | 42.4 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -131.9 | 157.5 | 172.6 | -71 | 0 | 0 | 0 | 0 | 112 | ||||
| 133 | P | 53 | Low | 42.8 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 160.2 | -179.4 | 31.6 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 134 | P | 52.6 | Low | 42.9 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 154 | -163.5 | 33.5 | -37.1 | 0 | 0 | 0 | 115.5 | ||
| 135 | I | 42.1 | Very low | 42.7 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -99 | 137.1 | 163.9 | -68.1 | 175.6 | 0 | 0 | 0 | 108.5 | V137 | I135-V137 HydrophobicContact CG2-CG2 4.03Š|
| 136 | I | 51.4 | Low | 42.8 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 116.3 | 172.7 | -60.9 | 173.1 | 0 | 0 | 0 | 109.1 | ||
| 137 | V | 40.6 | Very low | 42.6 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -138.5 | 129.1 | 165.4 | 173.3 | 0 | 0 | 0 | 0 | 108.3 | I135 | I135-V137 HydrophobicContact CG2-CG2 4.03Š| ||
| 138 | A | 43 | Very low | 42.4 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -141.5 | 112.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 139 | E | 40.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 64.1 | 96.5 | 100.3 | -66.5 | -171.7 | 161.3 | 0 | 0 | 112.5 | |||||
| 140 | I | 38.7 | Very low | 41.8 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | 67.2 | 85.6 | 62.9 | -51.1 | 171.9 | 0 | 0 | 0 | 113.2 | |||||
| 141 | R | 38.7 | Very low | 41.5 | Very low | 243 Ų | 243 | 128 Ų | 128 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | trans | -154.4 | 129.9 | 148.4 | -149 | 82.4 | -176.8 | -165.9 | 1.6 | 110.4 | ||||
| 142 | G | 36.2 | Very low | 41.3 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -93.2 | -156.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 143 | P | 42.8 | Very low | 41.2 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -139.1 | -161.4 | 8.8 | 38.3 | -16.4 | 0 | 0 | 0 | 114.3 | ||||
| 144 | S | 38.3 | Very low | 40.6 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 77 | 155.7 | 157.5 | -55.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 145 | S | 35.8 | Very low | 40 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | -174.6 | 169.1 | -22.8 | -91.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 146 | I | 37.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 69.1 | 105.2 | 157.9 | -68.7 | 155.1 | 0 | 0 | 0 | 115.2 | ||||
| 147 | S | 34.8 | Very low | 39.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | 66.5 | 157.9 | 96.3 | 90.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 148 | S | 39.3 | Very low | 39.7 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | cis | -164.6 | 164.3 | 21 | -9.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 149 | H | 40 | Very low | 39.4 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 56.7 | 119 | 144.5 | -62.5 | -43.5 | 0 | 0 | 0 | 121.2 | ||||
| 150 | S | 37.8 | Very low | 39.2 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | 87.1 | 148.8 | 93.6 | -61 | 0 | 0 | 0 | 0 | 113 | |||||
| 151 | A | 38.9 | Very low | 38.9 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | cis | -149.2 | -176.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 152 | S | 42.6 | Very low | 39 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | 177.2 | -176.6 | 17.6 | -173.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 153 | E | 41 | Very low | 39.1 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 75.3 | 137.4 | 157.2 | -50.9 | -139 | 128.2 | 0 | 0 | 120.1 | ||||
| 154 | K | 40.8 | Very low | 38.9 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | cis | -167.4 | 163.7 | -24.7 | -124.1 | 167.5 | -164.6 | 162.1 | 0 | 111.2 | ||||
| 155 | S | 39.8 | Very low | 38.7 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 147.6 | 167.1 | 77.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 156 | S | 40.5 | Very low | 38.7 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | -156.3 | 171 | -20.5 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 157 | H | 39.6 | Very low | 38.9 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -117.1 | -175.7 | -164 | -91.2 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 158 | P | 47.3 | Very low | 39 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -143.9 | -175.7 | -36.1 | 38.9 | -20.5 | 0 | 0 | 0 | 115.3 | ||||
| 159 | R | 36.3 | Very low | 39 | Very low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 76% | 0.755 | S | S | * | * | trans | 51.8 | 129.2 | 141.1 | -80.1 | 174.2 | 174.1 | -123.7 | 0.5 | 122.3 | ||||
| 160 | G | 36.1 | Very low | 39 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -167 | 131.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 161 | A | 33.7 | Very low | 39.1 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -151.9 | 111.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 162 | F | 39.4 | Very low | 39 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -158.8 | 165.6 | 165.1 | -71.3 | -77.2 | 0 | 0 | 0 | 108.8 | ||||
| 163 | K | 39.5 | Very low | 38.8 | Very low | 168 Ų | 168 | 140 Ų | 140 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | cis | -178.8 | 154.3 | -36.5 | -171.9 | 176.4 | 176.1 | -175.6 | 0 | 107.5 | ||||
| 164 | M | 38 | Very low | 38.9 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | 77.5 | 125.7 | 157.7 | -91.7 | 157.7 | 71 | 0 | 0 | 122.8 | ||||
| 165 | N | 34.4 | Very low | 38.9 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | 57.5 | 125.6 | 131.9 | -68.6 | 12.4 | 0 | 0 | 0 | 121.7 | ||||
| 166 | Q | 36.5 | Very low | 39.2 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 84.3 | 157.9 | 54.4 | -75 | -167.9 | 29.9 | 0 | 0 | 114.5 | |||||
| 167 | H | 40 | Very low | 39.1 | Very low | 164 Ų | 164 | 142 Ų | 142 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 82.4 | 144.9 | 178.3 | -60 | -80.8 | 0 | 0 | 0 | 116.7 | ||||
| 168 | A | 38.4 | Very low | 39.2 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | cis | -159.4 | 143.5 | -14.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 169 | S | 38.6 | Very low | 38.8 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | 32.7 | 132.7 | 128.8 | -44.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 170 | Q | 40.2 | Very low | 38.6 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | -161.1 | 121.2 | 123 | -101.7 | 146.8 | 100 | 0 | 0 | 108.7 | |||||
| 171 | I | 39.5 | Very low | 38.7 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | 76.3 | 122.9 | 75.5 | -71.3 | 170.3 | 0 | 0 | 0 | 110.1 | |||||
| 172 | L | 37.1 | Very low | 38.7 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | -167.5 | 144.1 | 56 | -171.5 | 47.2 | 0 | 0 | 0 | 115.1 | |||||
| 173 | S | 37.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 60.7 | 158.1 | 149.5 | 66.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 174 | K | 43.3 | Very low | 38.3 | Very low | 197 Ų | 197 | 135.5 Ų | 135.5 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | cis | -167.8 | 173.2 | -43.8 | -114.9 | -168.4 | 175.2 | -179.7 | 0 | 108.6 | ||||
| 175 | P | 41.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | -131.7 | -136.3 | -127.8 | 48.1 | -26.1 | 0 | 0 | 0 | 114.2 | |||||
| 176 | P | 46.3 | Very low | 38.1 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -125.2 | -172.1 | -142.3 | 35.2 | -10 | 0 | 0 | 0 | 115.4 | ||||
| 177 | N | 38.2 | Very low | 38 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 172.9 | 158.8 | 153.9 | -92.3 | -18.5 | 0 | 0 | 0 | 109.5 | ||||
| 178 | S | 41.1 | Very low | 37.9 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -165.6 | 176.1 | -14.4 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 179 | S | 39.9 | Very low | 37.9 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 63.6 | 119 | 150.7 | 48.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 180 | C | 30.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -90.2 | 179.8 | 152.8 | -46.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 181 | P | 39 | Very low | 37.6 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | -151.6 | -163.6 | 82.3 | 41.7 | -21.1 | 0 | 0 | 0 | 116.5 | |||||
| 182 | R | 32.8 | Very low | 37.5 | Very low | 235 Ų | 235 | 136.1 Ų | 136.1 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -87.2 | 165.9 | -170 | -45.7 | 160.7 | -177.4 | 168.6 | -2.1 | 113.4 | ||||
| 183 | I | 35.7 | Very low | 37.5 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | 176.9 | 134.2 | 111.4 | -91.8 | 164.4 | 0 | 0 | 0 | 114.4 | |||||
| 184 | A | 35.4 | Very low | 37.5 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | 28.7 | 144.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 185 | S | 33.5 | Very low | 37.2 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 47.6 | 136.8 | 138.8 | 55.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 186 | D | 35.1 | Very low | 37 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | -155.5 | -176.3 | 56.3 | -125.6 | -43.6 | 0 | 0 | 0 | 116.6 | |||||
| 187 | M | 35.3 | Very low | 36.6 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | trans | -87.5 | 162.6 | -174.2 | -45.8 | -173.4 | 80.8 | 0 | 0 | 114.7 | ||||
| 188 | F | 36.8 | Very low | 36.6 | Very low | 210 Ų | 210 | 128.4 Ų | 128.4 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -165.2 | 156.4 | 130.1 | -104.7 | -64.6 | 0 | 0 | 0 | 115 | ||||
| 189 | M | 38.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -67.2 | 140.4 | -160.9 | -68.4 | -82.8 | 97.7 | 0 | 0 | 119.8 | ||||
| 190 | S | 34.9 | Very low | 36.2 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 52.1 | 129.9 | 119.8 | -45.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 191 | S | 38.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | -160.6 | 160.7 | 124.6 | 30.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 192 | S | 35.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -153.1 | 149.7 | -158.9 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 193 | S | 38.2 | Very low | 36.6 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -146.8 | 151 | 163.3 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 194 | S | 36.9 | Very low | 36.4 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -159.9 | 140.2 | -155.3 | 56.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 195 | S | 37.5 | Very low | 36.5 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -166.8 | 122.3 | 155.2 | 39.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 196 | S | 37.5 | Very low | 36.5 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 69.3 | 125.1 | 56.9 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 197 | S | 37.6 | Very low | 36.3 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -159.9 | -172.3 | 2.1 | 59.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 198 | S | 38.3 | Very low | 36.2 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | -159.9 | 171.1 | 13.7 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 199 | T | 35.4 | Very low | 35.9 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 22.3 | 140.7 | 141.4 | 60 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 200 | S | 37.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | cis | -145.9 | 136.4 | 17.8 | -68.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 201 | S | 37.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | 58.5 | 137.2 | 92.9 | -41.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 202 | S | 35.8 | Very low | 35.4 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | -173.5 | 170.3 | -6.7 | 47.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 203 | S | 36.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | cis | -150.5 | -179 | 18 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 204 | I | 32.9 | Very low | 35 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -118.6 | 149.1 | -174.3 | -55.5 | 160.7 | 0 | 0 | 0 | 109.8 | ||||
| 205 | L | 37.5 | Very low | 34.9 | Very low | 170 Ų | 170 | 116.5 Ų | 116.5 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | trans | -152 | 156 | 142.2 | -109.1 | 175.8 | 0 | 0 | 0 | 111.4 | ||||
| 206 | N | 32.3 | Very low | 35 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | -82.3 | -172.8 | -176.4 | -59.8 | -11.7 | 0 | 0 | 0 | 111 | ||||
| 207 | E | 31 | Very low | 34.8 | Very low | 167 Ų | 167 | 117.9 Ų | 117.9 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | cis | -164.7 | 176.4 | 20.7 | -152.8 | 144.7 | 103.3 | 0 | 0 | 113.9 | ||||
| 208 | A | 33.5 | Very low | 34.9 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | trans | 68.9 | 109.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 209 | N | 31 | Very low | 35 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -25.7 | 151 | 151 | -53.4 | -64 | 0 | 0 | 0 | 117.9 | ||||
| 210 | H | 33.9 | Very low | 34.9 | Very low | 194 Ų | 194 | 127 Ų | 127 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | -179.2 | 164.8 | 113.1 | -87.2 | -56.2 | 0 | 0 | 0 | 111.2 | |||||
| 211 | A | 30.5 | Very low | 35 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -146.4 | 136.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 212 | A | 36.2 | Very low | 34.6 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | trans | -174.3 | 170.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 213 | N | 33.1 | Very low | 34.6 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | cis | 149.8 | 83.1 | 7.3 | -12.9 | -3.5 | 0 | 0 | 0 | 113.8 | S601 T602 T603 | N213-S601 PolarHBondContact ND2-O 3.43Å; N213-T602 CarbonylContact C-O 3.56Å; N213-T602 WeakPolarHBondContact CA-O 3.25Å; N213-T602 WeakPolarHBondContact CB-O 3.48Å; N213-T602 VanDerWaalsContact OD1-C 3.24Å; N213-T602 PolarHBondContact OD1-O 3.46Å; N213-T602 VanDerWaalsContact OD1-O 3.07Å; N213-T603 CarbonylContact C-O 3.25Å; N213-T603 VanDerWaalsContact C-O 3.23Å; N213-T603 PolarHBondContact N-O 2.94Å | ||
| 214 | G | 32.4 | Very low | 34.4 | Very low | 27 Ų | 27 | 131.4 Ų | 131.4 | 28% | 0.278 | 73% | 0.73 | S | S | . | * | trans | 142 | 135 | 178.5 | 0 | 0 | 0 | 0 | 0 | 119 | T602 T603 T604 | G214-T602 PolarHBondContact N-O 3.21Å; G214-T603 PolarHBondContact N-O 2.99Å; G214-T603 CarbonylContact O-C 3.46Å; G214-T603 VanDerWaalsContact O-CA 3.28Å; G214-T603 WeakPolarHBondContact O-CA 3.23Å; G214-T603 VanDerWaalsContact O-CB 3.23Å; G214-T603 WeakPolarHBondContact O-CB 3.06Å; G214-T603 PolarHBondContact O-N 3.24Å; G214-T604 PolarHBondContact O-OG1 3.41Å | ||
| 215 | L | 35.1 | Very low | 34.6 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 52% | 0.518 | 73% | 0.733 | S | S | . | * | trans | -158.1 | 144.7 | 167.3 | -119.9 | -168.8 | 0 | 0 | 0 | 111.5 | T602 T603 | L215-T602 HydrophobicContact CD1-CG2 4.23Å; L215-T603 HydrophobicContact CG-CG2 4.11Å | ||
| 216 | P | 39.5 | Very low | 34.4 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -109.9 | 137.2 | 154.1 | 35.1 | -26.4 | 0 | 0 | 0 | 110.6 | ||||
| 217 | I | 33.3 | Very low | 34.2 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | cis | 81 | 106.2 | 43.6 | -59.1 | 176.1 | 0 | 0 | 0 | 113.9 | ||||
| 218 | L | 39.5 | Very low | 34.7 | Very low | 159 Ų | 159 | 125 Ų | 125 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -166.6 | 88 | 156.4 | -102.1 | 161.5 | 0 | 0 | 0 | 105 | ||||
| 219 | E | 41.2 | Very low | 34.8 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | 84.7 | 155.3 | 86.6 | -72.9 | -136.9 | 115.4 | 0 | 0 | 114.5 | |||||
| 220 | K | 33.5 | Very low | 34.9 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -96.6 | 140.3 | -158.3 | -62.5 | 171.3 | -179.3 | 169.9 | 0 | 113.2 | ||||
| 221 | I | 37.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | trans | -131.8 | 114.8 | 148.5 | -49.7 | 178.6 | 0 | 0 | 0 | 108.3 | I223 | I221-I223 HydrophobicContact CG2-CG1 4.39Š| ||
| 222 | S | 29.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -96 | 126.7 | 173 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 223 | I | 36.1 | Very low | 35.1 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | trans | -114.9 | 106.5 | 169.5 | -59.5 | -179 | 0 | 0 | 0 | 108.2 | I221 L225 | I221-I223 HydrophobicContact CG2-CG1 4.39Å; I223-L225 HydrophobicContact CG2-CD1 4.46Å; I223-L225 HydrophobicContact CG2-CG 4.21Å | ||
| 224 | V | 33.3 | Very low | 35.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -85.2 | 119.5 | 172.5 | 174.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 225 | L | 36.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -125.3 | 100.6 | 165.6 | -73.1 | 175.3 | 0 | 0 | 0 | 108.6 | I223 | I223-L225 HydrophobicContact CG2-CD1 4.46Å; I223-L225 HydrophobicContact CG2-CG 4.21Å | ||
| 226 | G | 34.2 | Very low | 34.9 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 141.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 227 | S | 28.1 | Very low | 34.7 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 127.5 | 177.7 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 228 | P | 39.5 | Very low | 34.5 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 129.4 | 167.9 | -16.6 | 31.8 | 0 | 0 | 0 | 111.2 | ||
| 229 | K | 37.2 | Very low | 34.2 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 146.6 | 173.9 | -63.9 | 176 | 178.9 | 177.6 | 0 | 110.7 | ||
| 230 | R | 32.4 | Very low | 33.8 | Very low | 238 Ų | 238 | 144.4 Ų | 144.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 135.1 | 158.6 | -66.3 | -177.8 | -177.9 | 173 | 0.1 | 109.4 | ||
| 231 | P | 38.6 | Very low | 33.9 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 160.5 | 155.9 | 34.1 | -31.3 | 0 | 0 | 0 | 110.8 | ||
| 232 | V | 31.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 92% | 0.915 | 79% | 0.789 | S | S | * | * | trans | -122.3 | 146 | 171.7 | 172.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 233 | G | 34.2 | Very low | 34.1 | Very low | 63 Ų | 63 | 143 Ų | 143 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 154.4 | 114.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 234 | E | 35.1 | Very low | 34.1 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | 74.1 | 112.2 | 126.8 | -63.1 | -165.3 | 160.4 | 0 | 0 | 122.7 | |||||
| 235 | N | 31.8 | Very low | 34.5 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | 79 | 105.3 | 122.1 | -56.6 | -18 | 0 | 0 | 0 | 121 | |||||
| 236 | S | 30.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | 52 | 121.3 | 124.8 | -52.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 237 | I | 34.4 | Very low | 35 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | -173 | 148.9 | 114.3 | -97 | 156.4 | 0 | 0 | 0 | 112.7 | |||||
| 238 | I | 29.3 | Very low | 35.6 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -70.4 | 134.9 | 179.1 | -62.3 | 148.3 | 0 | 0 | 0 | 112.8 | ||||
| 239 | R | 32.6 | Very low | 35.6 | Very low | 240 Ų | 240 | 148 Ų | 148 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | -164.6 | 158.5 | 124 | -131.9 | 169.5 | -179.8 | 139.3 | 2.4 | 114 | |||||
| 240 | A | 33 | Very low | 35.7 | Very low | 76 Ų | 76 | 145.6 Ų | 145.6 | 63% | 0.628 | 79% | 0.787 | S | S | * | * | trans | -120.2 | -166.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 241 | N | 35.4 | Very low | 36.2 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 99 | 114.1 | 177.2 | -53.2 | -4.5 | 0 | 0 | 0 | 112.5 | ||||
| 242 | N | 32.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | cis | 83.7 | 111.8 | 46.7 | -66.7 | 11.6 | 0 | 0 | 0 | 113.3 | ||||
| 243 | T | 40.1 | Very low | 36.6 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -154.4 | 106.5 | 146 | 45.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 244 | D | 35.7 | Very low | 36.6 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -92.8 | 168.8 | 164.4 | -85.4 | -54.7 | 0 | 0 | 0 | 110.6 | ||||
| 245 | S | 42 | Very low | 36.5 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -148.6 | 150 | 159 | -79.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 246 | P | 40.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -124.7 | 179.9 | -141.9 | 41.9 | -29.4 | 0 | 0 | 0 | 114.2 | ||||
| 247 | L | 39.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -167.2 | 127.3 | 146.3 | -101 | 172.2 | 0 | 0 | 0 | 111.6 | ||||
| 248 | K | 40.6 | Very low | 36.7 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 27.9 | 146.2 | 137 | -58 | -175.2 | -174.6 | 178.2 | 0 | 120.7 | ||||
| 249 | N | 40.2 | Very low | 36.9 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | cis | -163.5 | 154.7 | 2.7 | -119.8 | 37.8 | 0 | 0 | 0 | 111 | ||||
| 250 | E | 40.5 | Very low | 37 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | trans | 42.4 | 130.6 | 152.1 | -44 | -45.1 | 83.9 | 0 | 0 | 124.5 | ||||
| 251 | D | 41.7 | Very low | 37.1 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | 107.4 | 149.7 | 126.2 | -116 | -35.7 | 0 | 0 | 0 | 123.2 | |||||
| 252 | A | 41.6 | Very low | 37.1 | Very low | 83 Ų | 83 | 148 Ų | 148 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | 69.2 | 89.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 253 | R | 36.1 | Very low | 37 | Very low | 228 Ų | 228 | 147.6 Ų | 147.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 70.4 | 113.4 | 136.5 | -67.8 | -173.9 | 171.6 | -158.2 | -2.6 | 123 | ||||
| 254 | L | 35.7 | Very low | 36.6 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 78.9 | 155.3 | 134 | -64.8 | 172.9 | 0 | 0 | 0 | 118.7 | ||||
| 255 | P | 33.1 | Very low | 36.6 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | -110.3 | 156.9 | -128.1 | 39.9 | -37.7 | 0 | 0 | 0 | 117.8 | |||||
| 256 | K | 33.6 | Very low | 36.4 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -0.8 | 117.5 | 159 | -69.4 | -178 | 174.1 | -179 | 0 | 117.6 | ||||
| 257 | L | 31.1 | Very low | 36 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | -75 | 134.3 | 145 | -67.9 | 171.6 | 0 | 0 | 0 | 109.5 | ||||
| 258 | V | 35 | Very low | 35.8 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | trans | -118.2 | 126.7 | 163.4 | 174.7 | 0 | 0 | 0 | 0 | 106.3 | E260 | V258-E260 PolarHBondContact O-N 3.42Š| ||
| 259 | L | 34.3 | Very low | 35.4 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -96.6 | 82 | -177.7 | -173.6 | 65.1 | 0 | 0 | 0 | 110.2 | ||||
| 260 | E | 35 | Very low | 35.4 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -103.7 | 102.1 | 175.7 | -157.8 | 81.3 | -161.6 | 0 | 0 | 108.8 | V258 H262 | V258-E260 PolarHBondContact O-N 3.42Å; E260-H262 PolarHBondContact O-N 3.47Å | ||
| 261 | N | 35.5 | Very low | 35.1 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -88.7 | 100.8 | -176.1 | -89 | -8.3 | 0 | 0 | 0 | 111.8 | ||||
| 262 | H | 33.4 | Very low | 34.7 | Very low | 148 Ų | 148 | 151 Ų | 151 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -127.9 | 125.3 | 173.5 | -100 | -60.8 | 0 | 0 | 0 | 112.8 | E260 | E260-H262 PolarHBondContact O-N 3.47Š| ||
| 263 | I | 31.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 154.2 Ų | 154.2 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | 71.7 | 125.4 | 146.2 | -56.2 | 164.4 | 0 | 0 | 0 | 118.1 | P265 | I263-P265 VanDerWaalsContact CG2-CD 3.48Š| ||
| 264 | H | 31.9 | Very low | 34.2 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -128.8 | 129.8 | 147.8 | -95.3 | -81.2 | 0 | 0 | 0 | 108.9 | ||||
| 265 | P | 36.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | -123.1 | 137.9 | 129.7 | 35.4 | -31.8 | 0 | 0 | 0 | 110.6 | I263 | I263-P265 VanDerWaalsContact CG2-CD 3.48Š| |||
| 266 | S | 37.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -85.2 | 140.2 | 176.1 | 41.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 267 | N | 31.9 | Very low | 34.8 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -150.9 | 111.7 | 170.5 | -158.7 | -2.1 | 0 | 0 | 0 | 108.8 | ||||
| 268 | S | 34.9 | Very low | 35.2 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -113 | 120.5 | -171.1 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 269 | K | 33.5 | Very low | 35.6 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 140.4 | 169.9 | -64.6 | 178.4 | 177.6 | 179.8 | 0 | 110.1 | ||||
| 270 | E | 38.9 | Very low | 35.7 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -133.6 | 170.9 | 148.1 | -74.2 | -152.8 | 111.9 | 0 | 0 | 109.9 | ||||
| 271 | N | 33.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -98.5 | 150.5 | -156.4 | -51.5 | -68.8 | 0 | 0 | 0 | 113.8 | ||||
| 272 | S | 33.8 | Very low | 35.9 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -152.9 | 170.3 | 131.3 | -158.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 273 | L | 31.5 | Very low | 36.1 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -136.7 | 130.4 | -160 | 175.5 | 95.8 | 0 | 0 | 0 | 110.8 | ||||
| 274 | T | 37.1 | Very low | 36.4 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -167.8 | 148.9 | 139.5 | 19 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 275 | K | 37.4 | Very low | 36.7 | Very low | 182 Ų | 182 | 144 Ų | 144 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -85.2 | 156.9 | 177.5 | -57.3 | 168.3 | 171.4 | -176.6 | 0 | 111.8 | ||||
| 276 | L | 39.3 | Very low | 36.9 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | 172.8 | 118.3 | 100.2 | -87.4 | 175.6 | 0 | 0 | 0 | 113.3 | |||||
| 277 | D | 38 | Very low | 37.2 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 40 | 147.6 | 137.4 | -58.3 | -44.4 | 0 | 0 | 0 | 127.4 | ||||
| 278 | E | 39.7 | Very low | 37.6 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 73.6 | 130.6 | 157.9 | -74.3 | -163.4 | 91.9 | 0 | 0 | 124.7 | ||||
| 279 | P | 41.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -108.2 | 179 | 167.7 | 42.8 | -34.6 | 0 | 0 | 0 | 112.7 | ||||
| 280 | L | 37.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -170.4 | 156.9 | 145.9 | -111.5 | -177.8 | 0 | 0 | 0 | 116.6 | ||||
| 281 | Q | 38.4 | Very low | 39 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | 71.3 | 162.5 | 160.3 | -63.1 | -165.8 | 16.3 | 0 | 0 | 121.3 | ||||
| 282 | A | 34.8 | Very low | 39.3 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -149.6 | -179.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 283 | N | 38 | Very low | 39.6 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -176.8 | 153.5 | 138.3 | -92 | -31.1 | 0 | 0 | 0 | 114.7 | ||||
| 284 | S | 37.6 | Very low | 40 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -18 | 155.1 | 163.3 | 56.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 285 | S | 39.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -177.3 | 175.8 | 35.1 | 2.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 286 | A | 39.5 | Very low | 40.1 | Very low | 81 Ų | 81 | 135 Ų | 135 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -175.4 | -176.2 | -20.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 287 | T | 43.2 | Very low | 39.7 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 64.9 | 150.4 | 176.2 | 78.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 288 | N | 41.8 | Very low | 39.8 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | cis | -158 | 171.7 | -21 | -108.5 | 29 | 0 | 0 | 0 | 106.4 | ||||
| 289 | E | 44 | Very low | 39.5 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -141.7 | -123.4 | 7.3 | -149.7 | 152.6 | -77 | 0 | 0 | 111.8 | ||||
| 290 | D | 44.6 | Very low | 39.5 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -138.8 | 169 | -156.8 | -124.3 | -47.9 | 0 | 0 | 0 | 118.2 | ||||
| 291 | A | 46.2 | Very low | 39.6 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 74.1 | 147.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 292 | K | 41.8 | Very low | 39.6 | Very low | 200 Ų | 200 | 138 Ų | 138 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | cis | -161.5 | 165.5 | -29.8 | -158.2 | 151.6 | -176.1 | 166.2 | 0 | 111.1 | ||||
| 293 | S | 39.7 | Very low | 39.8 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | trans | -82.6 | 156.7 | -171.2 | 60.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 294 | N | 38.6 | Very low | 40 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | 161.7 | 127.6 | 126 | -76.1 | -10.8 | 0 | 0 | 0 | 109.5 | |||||
| 295 | V | 36.2 | Very low | 40.2 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | cis | 91.2 | 149.3 | 41.6 | 178.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 296 | I | 40.9 | Very low | 40.3 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 100.3 | 132.7 | 176 | -51.8 | -177.8 | 0 | 0 | 0 | 116.1 | ||||
| 297 | N | 31.2 | Very low | 40.3 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -134.5 | 142.3 | 173.9 | 132.8 | 89 | 0 | 0 | 0 | 107.8 | ||||
| 298 | E | 39.3 | Very low | 40 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -162.2 | 171.7 | 151.7 | -126.4 | 175.5 | -154.7 | 0 | 0 | 114.7 | ||||
| 299 | K | 34.5 | Very low | 40.1 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -117.8 | 148 | -176.5 | -69.1 | 169.2 | 178.4 | 164.8 | 0 | 110.9 | ||||
| 300 | S | 40.7 | Very low | 39.7 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -152.8 | 160.6 | 158.4 | -93.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 301 | K | 39.6 | Very low | 39.6 | Very low | 199 Ų | 199 | 153.5 Ų | 153.5 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -114.5 | 169.4 | -177.5 | -58.8 | 170.5 | -177.6 | 171 | 0 | 109.7 | ||||
| 302 | V | 39 | Very low | 39.4 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | 152.6 | 116.2 | 126.5 | 164.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 303 | A | 39.2 | Very low | 39.3 | Very low | 76 Ų | 76 | 154.6 Ų | 154.6 | 63% | 0.628 | 81% | 0.812 | S | S | * | * | trans | 53.6 | 133.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 304 | T | 42.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 162.2 Ų | 162.2 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | 72.8 | 154.4 | 147.5 | 65.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 305 | K | 41.9 | Very low | 39.4 | Very low | 205 Ų | 205 | 166.5 Ų | 166.5 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | cis | -145.3 | 171 | 23.3 | -149.9 | 165.5 | -175.4 | 172.1 | 0 | 113.8 | ||||
| 306 | R | 41 | Very low | 39.8 | Very low | 239 Ų | 239 | 166.7 Ų | 166.7 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -76 | 145.7 | -169.9 | -60.3 | 166.7 | 169.6 | 156.3 | -7.1 | 115.3 | ||||
| 307 | K | 41.1 | Very low | 39.8 | Very low | 217 Ų | 217 | 167.8 Ų | 167.8 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | -160.7 | 161 | 125.7 | -117.8 | 174 | -178.5 | 177.6 | 0 | 111.3 | |||||
| 308 | A | 35.4 | Very low | 40 | Very low | 103 Ų | 103 | 166.6 Ų | 166.6 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -138.2 | 157.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 309 | S | 44.1 | Very low | 40 | Very low | 130 Ų | 130 | 169.5 Ų | 169.5 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -155.4 | 149 | 160.9 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 310 | A | 36.9 | Very low | 40.2 | Very low | 91 Ų | 91 | 169.9 Ų | 169.9 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | -137.8 | 122.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 311 | R | 42.7 | Very low | 40.3 | Very low | 250 Ų | 250 | 171.2 Ų | 171.2 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -177.1 | 159.4 | 165.2 | -103.9 | 175.6 | 171.8 | -176.3 | -2.1 | 107.1 | ||||
| 312 | S | 40.1 | Very low | 40.2 | Very low | 81 Ų | 81 | 172.6 Ų | 172.6 | 57% | 0.566 | 84% | 0.837 | S | S | * | * | cis | 175.9 | 123.9 | -27.7 | 154.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 313 | R | 40.8 | Very low | 40.3 | Very low | 229 Ų | 229 | 169.2 Ų | 169.2 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | 43.1 | 120.6 | 151.4 | -55 | 169.2 | 171.1 | 176 | -4.2 | 118.6 | ||||
| 314 | R | 38.7 | Very low | 40.3 | Very low | 246 Ų | 246 | 172.9 Ų | 172.9 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | 179.3 | 136.5 | 105.1 | -96.5 | 161.7 | -179.5 | 179.3 | 0.3 | 113.2 | |||||
| 315 | R | 41.6 | Very low | 40.5 | Very low | 233 Ų | 233 | 171.2 Ų | 171.2 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -78.4 | 146.9 | 156.7 | -90.8 | 177.5 | 164.3 | 164.2 | -7.9 | 109.3 | ||||
| 316 | P | 45.5 | Very low | 40.4 | Very low | 131 Ų | 131 | 168.7 Ų | 168.7 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -71.1 | 147.2 | 149.6 | -3.9 | 21.7 | 0 | 0 | 0 | 109.7 | ||||
| 317 | K | 39.9 | Very low | 40.6 | Very low | 189 Ų | 189 | 162 Ų | 162 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -144.8 | 128.6 | 176.4 | -168.1 | -176.9 | -178.6 | -175.1 | 0 | 110 | ||||
| 318 | S | 35.6 | Very low | 40.6 | Very low | 107 Ų | 107 | 158.3 Ų | 158.3 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 52.2 | 134.2 | 161.2 | 59.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 319 | R | 39.9 | Very low | 40.6 | Very low | 247 Ų | 247 | 162.8 Ų | 162.8 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -141.1 | 130.5 | 138.1 | -153.2 | 165.5 | -176.8 | 155.4 | 0.8 | 110 | ||||
| 320 | K | 38.4 | Very low | 40.5 | Very low | 194 Ų | 194 | 163.3 Ų | 163.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -102.3 | 143.1 | 176.1 | -81.8 | -172.8 | 171.4 | -170.9 | 0 | 110.1 | ||||
| 321 | I | 42.3 | Very low | 40.6 | Very low | 155 Ų | 155 | 164.3 Ų | 164.3 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -145.8 | 113 | 154.6 | -53.2 | -179.2 | 0 | 0 | 0 | 103.2 | ||||
| 322 | R | 38.4 | Very low | 40.2 | Very low | 229 Ų | 229 | 161.4 Ų | 161.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | 86.5 | 132.1 | 50.3 | -80 | -166.8 | 177.3 | -117.1 | 8.3 | 113.1 | |||||
| 323 | G | 39.4 | Very low | 39.8 | Very low | 65 Ų | 65 | 162.3 Ų | 162.3 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 107.5 | 124.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 324 | D | 40.7 | Very low | 39.5 | Very low | 153 Ų | 153 | 160.2 Ų | 160.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -167.8 | 177.5 | -45.4 | -94.5 | -27.1 | 0 | 0 | 0 | 108.6 | ||||
| 325 | S | 45.9 | Very low | 39.1 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 111.6 | 179.8 | -62.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 326 | D | 40.7 | Very low | 38.8 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | 88 | 134.4 | 60.2 | -65.7 | -36.7 | 0 | 0 | 0 | 111.7 | |||||
| 327 | S | 43.9 | Very low | 38.2 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | cis | -148.6 | 148.7 | 10.7 | 58 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 328 | D | 42.7 | Very low | 37.9 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 31.2 | 146.5 | 143.1 | -51.6 | -25.7 | 0 | 0 | 0 | 122 | ||||
| 329 | F | 35.3 | Very low | 38 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -149.6 | 158 | 39.3 | -136.6 | -86 | 0 | 0 | 0 | 114.2 | ||||
| 330 | E | 42.2 | Very low | 37.9 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 151.5 | -174.3 | -88.8 | -82.6 | 122 | 0 | 0 | 116.2 | F332 | E330-F332 HydrophobicContact CB-CD2 4.38Š| ||
| 331 | P | 37.1 | Very low | 38.2 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 81 | 174.6 | 37.6 | -32.6 | 0 | 0 | 0 | 113.1 | S333 | P331-S333 PolarHBondContact O-N 3.43Š| ||
| 332 | F | 35.3 | Very low | 38.4 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -77.3 | 124 | 176.5 | -104.5 | -90.5 | 0 | 0 | 0 | 113.6 | E330 | E330-F332 HydrophobicContact CB-CD2 4.38Š| ||
| 333 | S | 30.6 | Very low | 38.8 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -91.6 | 124 | 171.6 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | P331 | P331-S333 PolarHBondContact O-N 3.43Š| ||
| 334 | Q | 35.3 | Very low | 39.3 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | -175.6 | 137.9 | 127.8 | -104.2 | 166.8 | 8.7 | 0 | 0 | 115.9 | |||||
| 335 | S | 30 | Very low | 40.3 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 84.7 | 151.3 | 144.1 | 86.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 336 | Q | 35.7 | Very low | 40.5 | Very low | 173 Ų | 173 | 129 Ų | 129 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | 71.9 | 93.3 | 157.9 | -56.5 | -74.8 | -19.3 | 0 | 0 | 120.1 | ||||
| 337 | A | 33 | Very low | 41.5 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | 55 | 109.1 | 129.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 338 | G | 33.4 | Very low | 42.6 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | trans | 167.9 | 144.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 339 | G | 37.6 | Very low | 43.8 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | 95 | 23.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | R341 | G339-R341 PolarHBondContact O-N 2.96Š| ||
| 340 | S | 39.1 | Very low | 45.3 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 36.5 | -176.6 | 53.5 | 0 | 0 | 0 | 0 | 117 | ||
| 341 | R | 44.7 | Very low | 46.6 | Very low | 218 Ų | 218 | 123.8 Ų | 123.8 | 82% | 0.823 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -45 | -179.1 | -73.4 | -177.2 | 168.2 | 172.6 | -4.2 | 114.9 | G339 R343 A344 | G339-R341 PolarHBondContact O-N 2.96Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 3.11Å; R341-R343 VanDerWaalsContact O-N 3.11Å; R341-A344 PolarHBondContact O-N 3.13Å; R341-A344 VanDerWaalsContact O-N 3.1Å |
| 342 | G | 46.2 | Very low | 47.9 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -62.7 | -23.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 343 | R | 46.5 | Very low | 49.4 | Very low | 219 Ų | 219 | 121.5 Ų | 121.5 | 83% | 0.826 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -84.1 | -12.7 | 177.7 | -95.6 | 178.6 | 172 | 160.9 | -2 | 114.4 | R341 | R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 3.11Å; R341-R343 VanDerWaalsContact O-N 3.11Å |
| 344 | A | 50 | Low | 51.1 | Low | 60 Ų | 60 | 122 Ų | 122 | 50% | 0.496 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -77.6 | -50.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R341 A346 R347 A348 | R341-A344 PolarHBondContact O-N 3.13Å; R341-A344 VanDerWaalsContact O-N 3.1Å; A344-A346 PolarHBondContact O-N 2.65Å; A344-R347 PolarHBondContact O-N 2.58Å; A344-R347 VanDerWaalsContact O-N 3.08Å; A344-A348 PolarHBondContact O-N 2.92Å |
| 345 | D | 60.5 | Low | 52.4 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 61% | 0.61 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.1 | -41.7 | -178.9 | -85.1 | -53 | 0 | 0 | 0 | 113 | R347 A348 L349 | D345-R347 VanDerWaalsContact C-N 3.26Å; D345-R347 PolarHBondContact O-N 3.14Å; D345-A348 PolarHBondContact O-N 2.85Å; D345-A348 VanDerWaalsContact O-N 3.16Å; D345-L349 VanDerWaalsContact O-CB 3.3Å; D345-L349 WeakPolarHBondContact O-CB 3.31Å; D345-L349 PolarHBondContact O-N 3.31Å |
| 346 | A | 50.7 | Low | 53.8 | Low | 57 Ų | 57 | 121.4 Ų | 121.4 | 47% | 0.471 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -56.7 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A344 I350 | A344-A346 PolarHBondContact O-N 2.65Å; A346-I350 WeakPolarHBondContact O-CD1 3.13Å; A346-I350 VanDerWaalsContact O-CG1 3.26Å; A346-I350 WeakPolarHBondContact O-CG1 3.18Å; A346-I350 PolarHBondContact O-N 2.71Å |
| 347 | R | 62.5 | Low | 54.7 | Low | 185 Ų | 185 | 117.8 Ų | 117.8 | 70% | 0.698 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75 | -36.6 | 177 | -69.2 | -179.1 | 172.8 | -163.5 | -3 | 112.3 | A344 D345 R351 | A344-R347 PolarHBondContact O-N 2.58Å; A344-R347 VanDerWaalsContact O-N 3.08Å; D345-R347 VanDerWaalsContact C-N 3.26Å; D345-R347 PolarHBondContact O-N 3.14Å; R347-R351 PolarHBondContact O-N 2.78Å |
| 348 | A | 66.8 | Low | 55.7 | Low | 40 Ų | 40 | 118 Ų | 118 | 33% | 0.331 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.6 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A344 D345 R351 R352 | A344-A348 PolarHBondContact O-N 2.92Å; D345-A348 PolarHBondContact O-N 2.85Å; D345-A348 VanDerWaalsContact O-N 3.16Å; A348-R351 PolarHBondContact O-N 3.46Å; A348-R352 WeakPolarHBondContact O-CG 3.13Å; A348-R352 PolarHBondContact O-N 3.38Å |
| 349 | L | 68.1 | Low | 56.4 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.1 | -42.4 | 178.7 | -159.5 | 154 | 0 | 0 | 0 | 111.1 | D345 R351 R352 V353 | D345-L349 VanDerWaalsContact O-CB 3.3Å; D345-L349 WeakPolarHBondContact O-CB 3.31Å; D345-L349 PolarHBondContact O-N 3.31Å; L349-R351 PolarHBondContact O-N 3.02Å; L349-R352 PolarHBondContact O-N 3.24Å; L349-V353 HydrophobicContact CD2-CG2 4.3Å; L349-V353 WeakPolarHBondContact O-CG2 3.26Å; L349-V353 PolarHBondContact O-N 3.45Å |
| 350 | I | 65.8 | Low | 56.9 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.5 | -46 | 170.9 | -69.4 | 166 | 0 | 0 | 0 | 111 | A346 R352 V353 Q354 | A346-I350 WeakPolarHBondContact O-CD1 3.13Å; A346-I350 VanDerWaalsContact O-CG1 3.26Å; A346-I350 WeakPolarHBondContact O-CG1 3.18Å; A346-I350 PolarHBondContact O-N 2.71Å; I350-R352 PolarHBondContact O-N 2.63Å; I350-V353 PolarHBondContact O-N 2.96Å; I350-Q354 WeakPolarHBondContact O-CG 3.24Å; I350-Q354 PolarHBondContact O-N 3.22Å |
| 351 | R | 68.9 | Low | 57.2 | Low | 187 Ų | 187 | 127.7 Ų | 127.7 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62 | -41 | 175.4 | -79.1 | -174.2 | 174.2 | -178.6 | -2.2 | 112.7 | R347 A348 L349 V353 Q354 Q355 | R347-R351 PolarHBondContact O-N 2.78Å; A348-R351 PolarHBondContact O-N 3.46Å; L349-R351 PolarHBondContact O-N 3.02Å; R351-V353 VanDerWaalsContact C-N 3.31Å; R351-V353 PolarHBondContact O-N 3.42Å; R351-Q354 PolarHBondContact O-N 3.4Å; R351-Q355 WeakPolarHBondContact O-CB 3.38Å; R351-Q355 PolarHBondContact O-N 3.17Å |
| 352 | R | 66.2 | Low | 56.9 | Low | 171 Ų | 171 | 121.8 Ų | 121.8 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.1 | -37.1 | 174.4 | -77.6 | 178.6 | -179.2 | 153.3 | 1.6 | 112.5 | A348 L349 I350 K356 | A348-R352 WeakPolarHBondContact O-CG 3.13Å; A348-R352 PolarHBondContact O-N 3.38Å; L349-R352 PolarHBondContact O-N 3.24Å; I350-R352 PolarHBondContact O-N 2.63Å; R352-K356 WeakPolarHBondContact O-CB 3.46Å; R352-K356 WeakPolarHBondContact O-CG 3.47Å; R352-K356 PolarHBondContact O-N 2.99Å; R352-K356 VanDerWaalsContact O-N 3.13Å |
| 353 | V | 66.2 | Low | 56.7 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.5 | -46.5 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L349 I350 R351 Q355 K356 V357 | L349-V353 HydrophobicContact CD2-CG2 4.3Å; L349-V353 WeakPolarHBondContact O-CG2 3.26Å; L349-V353 PolarHBondContact O-N 3.45Å; I350-V353 PolarHBondContact O-N 2.96Å; R351-V353 VanDerWaalsContact C-N 3.31Å; R351-V353 PolarHBondContact O-N 3.42Å; V353-Q355 PolarHBondContact O-N 3.18Å; V353-K356 PolarHBondContact O-N 3.33Å; V353-V357 WeakPolarHBondContact O-CG2 3.47Å; V353-V357 PolarHBondContact O-N 2.96Å |
| 354 | Q | 66.5 | Low | 56.3 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.8 | -45.6 | 176.7 | -71.9 | 172.8 | -30.4 | 0 | 0 | 112 | I350 R351 K356 V357 I358 | I350-Q354 WeakPolarHBondContact O-CG 3.24Å; I350-Q354 PolarHBondContact O-N 3.22Å; R351-Q354 PolarHBondContact O-N 3.4Å; Q354-K356 VanDerWaalsContact C-N 3.32Å; Q354-K356 PolarHBondContact O-N 3.43Å; Q354-V357 PolarHBondContact O-N 3.07Å; Q354-V357 VanDerWaalsContact O-N 3.13Å; Q354-I358 WeakPolarHBondContact O-CG1 3.4Å; Q354-I358 PolarHBondContact O-N 3.3Å |
| 355 | Q | 63 | Low | 55.5 | Low | 112 Ų | 112 | 121 Ų | 121 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62 | -38.1 | 176.9 | -149.8 | 76.7 | 40.3 | 0 | 0 | 112.1 | R351 V353 V357 I358 N359 | R351-Q355 WeakPolarHBondContact O-CB 3.38Å; R351-Q355 PolarHBondContact O-N 3.17Å; V353-Q355 PolarHBondContact O-N 3.18Å; Q355-V357 VanDerWaalsContact C-N 3.33Å; Q355-V357 PolarHBondContact O-N 3.43Å; Q355-I358 PolarHBondContact O-N 3.24Å; Q355-N359 WeakPolarHBondContact O-CB 3.5Å; Q355-N359 PolarHBondContact O-N 3.16Å; Q355-N359 PolarHBondContact O-OD1 2.92Å |
| 356 | K | 57.5 | Low | 54.3 | Low | 166 Ų | 166 | 121.8 Ų | 121.8 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.7 | -26.9 | 175.3 | -80 | -173.9 | 174.4 | -171 | 0 | 113.7 | R352 V353 Q354 K360 | R352-K356 WeakPolarHBondContact O-CB 3.46Å; R352-K356 WeakPolarHBondContact O-CG 3.47Å; R352-K356 PolarHBondContact O-N 2.99Å; R352-K356 VanDerWaalsContact O-N 3.13Å; V353-K356 PolarHBondContact O-N 3.33Å; Q354-K356 VanDerWaalsContact C-N 3.32Å; Q354-K356 PolarHBondContact O-N 3.43Å; K356-K360 WeakPolarHBondContact O-CB 3.43Å |
| 357 | V | 56.2 | Low | 53.5 | Low | 96 Ų | 96 | 125 Ų | 125 | 58% | 0.582 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.9 | -39.3 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | V353 Q354 Q355 K360 | V353-V357 WeakPolarHBondContact O-CG2 3.47Å; V353-V357 PolarHBondContact O-N 2.96Å; Q354-V357 PolarHBondContact O-N 3.07Å; Q354-V357 VanDerWaalsContact O-N 3.13Å; Q355-V357 VanDerWaalsContact C-N 3.33Å; Q355-V357 PolarHBondContact O-N 3.43Å; V357-K360 PolarHBondContact O-N 3.3Å |
| 358 | I | 53.4 | Low | 52.2 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 55% | 0.549 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.5 | -49.7 | 177.5 | -66.1 | 164.4 | 0 | 0 | 0 | 110.8 | Q354 Q355 K360 K361 | Q354-I358 WeakPolarHBondContact O-CG1 3.4Å; Q354-I358 PolarHBondContact O-N 3.3Å; Q355-I358 PolarHBondContact O-N 3.24Å; I358-K360 PolarHBondContact O-N 2.99Å; I358-K360 VanDerWaalsContact O-N 3.09Å; I358-K361 PolarHBondContact O-N 2.92Å |
| 359 | N | 48 | Very low | 50.5 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -6.5 | 179.9 | -70.5 | 30.5 | 0 | 0 | 0 | 114.1 | Q355 | Q355-N359 WeakPolarHBondContact O-CB 3.5Å; Q355-N359 PolarHBondContact O-N 3.16Å; Q355-N359 PolarHBondContact O-OD1 2.92Å |
| 360 | K | 48.9 | Very low | 49.1 | Very low | 188 Ų | 188 | 127.3 Ų | 127.3 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 10.2 | 171.6 | -159.9 | 168.5 | -180 | 177.1 | 0 | 112.7 | K356 V357 I358 | K356-K360 WeakPolarHBondContact O-CB 3.43Å; V357-K360 PolarHBondContact O-N 3.3Å; I358-K360 PolarHBondContact O-N 2.99Å; I358-K360 VanDerWaalsContact O-N 3.09Å |
| 361 | K | 44.1 | Very low | 47.8 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -122 | 16.9 | -176.6 | -141.5 | 175.8 | -175.4 | -176 | 0 | 113.8 | I358 | I358-K361 PolarHBondContact O-N 2.92Š|
| 362 | S | 40 | Very low | 46 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -119.1 | 21.6 | -174.9 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 363 | I | 41.7 | Very low | 44.8 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -135.6 | 144.6 | 175.7 | -59.8 | 179.9 | 0 | 0 | 0 | 107.3 | ||
| 364 | S | 37.9 | Very low | 44 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | 61.2 | 102.6 | -174.8 | 68.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 365 | G | 32.5 | Very low | 43 | Very low | 67 Ų | 67 | 118.5 Ų | 118.5 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | -73.1 | -175 | 128.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 366 | V | 35 | Very low | 42 | Very low | 131 Ų | 131 | 116.2 Ų | 116.2 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | cis | -154.8 | 153.5 | 27.7 | 168 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 367 | T | 34.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 77% | 0.767 | 68% | 0.683 | S | S | * | * | trans | 66.7 | 142.3 | 164 | 44.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 368 | S | 34.9 | Very low | 41 | Very low | 92 Ų | 92 | 110.4 Ų | 110.4 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | trans | 63 | 91 | 147.5 | 61.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 369 | D | 30.5 | Very low | 40.4 | Very low | 158 Ų | 158 | 107.6 Ų | 107.6 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | 46.1 | 95.8 | 116 | -50 | -39 | 0 | 0 | 0 | 120.5 | |||||
| 370 | T | 40.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 108.6 Ų | 108.6 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -165.6 | 154 | 143.8 | 9.7 | 0 | 0 | 0 | 0 | 108.4 | G372 | T370-G372 PolarHBondContact O-N 2.97Š| ||
| 371 | P | 37.6 | Very low | 39.6 | Very low | 137 Ų | 137 | 109.7 Ų | 109.7 | 89% | 0.89 | 66% | 0.664 | S | S | * | * | trans | -78.5 | 60.8 | -174.6 | 32.7 | -35.4 | 0 | 0 | 0 | 113 | G373 | P371-G373 PolarHBondContact O-N 3.18Š| ||
| 372 | G | 30.6 | Very low | 39.3 | Very low | 68 Ų | 68 | 108.8 Ų | 108.8 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | trans | -74.4 | 106.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | T370 | T370-G372 PolarHBondContact O-N 2.97Š| ||
| 373 | G | 41.7 | Very low | 39.1 | Very low | 50 Ų | 50 | 112.2 Ų | 112.2 | 52% | 0.515 | 66% | 0.658 | S | S | . | * | trans | -55.6 | 144.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P371 I378 | P371-G373 PolarHBondContact O-N 3.18Å; G373-I378 VanDerWaalsContact O-CD1 3.31Å; G373-I378 WeakPolarHBondContact O-CD1 3.42Å | ||
| 374 | T | 48.9 | Very low | 38.6 | Very low | 73 Ų | 73 | 112.8 Ų | 112.8 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | trans | -67.7 | 155.4 | -163.1 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | A376 D377 I378 | T374-A376 PolarHBondContact O-N 2.77Å; T374-A376 PolarHBondContact OG1-N 3.22Å; T374-D377 VanDerWaalsContact CB-OD2 3.3Å; T374-D377 WeakPolarHBondContact CB-OD2 3.36Å; T374-D377 WeakPolarHBondContact CG2-OD2 3.49Å; T374-D377 PolarHBondContact N-OD2 3.3Å; T374-D377 VanDerWaalsContact N-OD2 3.15Å; T374-D377 PolarHBondContact O-N 3.49Å; T374-D377 PolarHBondContact OG1-N 3.22Å; T374-D377 PolarHBondContact OG1-OD2 2.92Å; T374-I378 WeakPolarHBondContact O-CG1 3.37Å; T374-I378 PolarHBondContact O-N 3.45Å | ||
| 375 | N | 44.9 | Very low | 38.3 | Very low | 138 Ų | 138 | 112.5 Ų | 112.5 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -56.3 | -20.9 | 171.9 | -87.1 | -39.7 | 0 | 0 | 0 | 113.3 | A379 | N375-A379 WeakPolarHBondContact O-CB 3.46Å; N375-A379 PolarHBondContact O-N 2.83Å |
| 376 | A | 43.8 | Very low | 38.3 | Very low | 63 Ų | 63 | 118.2 Ų | 118.2 | 52% | 0.521 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -76.7 | -38.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T374 A379 M380 | T374-A376 PolarHBondContact O-N 2.77Å; T374-A376 PolarHBondContact OG1-N 3.22Å; A376-A379 PolarHBondContact O-N 3.46Å; A376-M380 WeakPolarHBondContact O-CB 3.34Å; A376-M380 PolarHBondContact O-N 2.81Å |
| 377 | D | 45.3 | Very low | 38.2 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.8 | -42.9 | 174.7 | -56.3 | -61.6 | 0 | 0 | 0 | 111 | T374 A379 M380 R381 | T374-D377 VanDerWaalsContact CB-OD2 3.3Å; T374-D377 WeakPolarHBondContact CB-OD2 3.36Å; T374-D377 WeakPolarHBondContact CG2-OD2 3.49Å; T374-D377 PolarHBondContact N-OD2 3.3Å; T374-D377 VanDerWaalsContact N-OD2 3.15Å; T374-D377 PolarHBondContact O-N 3.49Å; T374-D377 PolarHBondContact OG1-N 3.22Å; T374-D377 PolarHBondContact OG1-OD2 2.92Å; D377-A379 VanDerWaalsContact C-N 3.34Å; D377-A379 PolarHBondContact O-N 2.79Å; D377-M380 PolarHBondContact O-N 3.24Å; D377-M380 VanDerWaalsContact O-N 3.15Å; D377-R381 WeakPolarHBondContact O-CG 3.43Å; D377-R381 PolarHBondContact O-N 3.45Å |
| 378 | I | 46.6 | Very low | 38.3 | Very low | 60 Ų | 60 | 114.9 Ų | 114.9 | 31% | 0.308 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.2 | -41.1 | 174 | -60.8 | 171.7 | 0 | 0 | 0 | 110.1 | G373 T374 M380 R381 R382 | G373-I378 VanDerWaalsContact O-CD1 3.31Å; G373-I378 WeakPolarHBondContact O-CD1 3.42Å; T374-I378 WeakPolarHBondContact O-CG1 3.37Å; T374-I378 PolarHBondContact O-N 3.45Å; I378-M380 VanDerWaalsContact C-N 3.35Å; I378-R381 PolarHBondContact O-N 3.06Å; I378-R382 HydrophobicContact CG2-CG 4.5Å; I378-R382 WeakPolarHBondContact O-CB 3.36Å; I378-R382 WeakPolarHBondContact O-CG 3.4Å; I378-R382 PolarHBondContact O-N 3.49Å |
| 379 | A | 41 | Very low | 38.2 | Very low | 47 Ų | 47 | 114.7 Ų | 114.7 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.4 | -33.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N375 A376 D377 R382 K383 | N375-A379 WeakPolarHBondContact O-CB 3.46Å; N375-A379 PolarHBondContact O-N 2.83Å; A376-A379 PolarHBondContact O-N 3.46Å; D377-A379 VanDerWaalsContact C-N 3.34Å; D377-A379 PolarHBondContact O-N 2.79Å; A379-R382 PolarHBondContact O-N 3.37Å; A379-K383 WeakPolarHBondContact O-CG 3.34Å; A379-K383 PolarHBondContact O-N 3.08Å |
| 380 | M | 41.7 | Very low | 38.3 | Very low | 132 Ų | 132 | 115 Ų | 115 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.7 | -32.6 | 177 | -158.7 | 177.6 | -55.1 | 0 | 0 | 112.2 | A376 D377 I378 | A376-M380 WeakPolarHBondContact O-CB 3.34Å; A376-M380 PolarHBondContact O-N 2.81Å; D377-M380 PolarHBondContact O-N 3.24Å; D377-M380 VanDerWaalsContact O-N 3.15Å; I378-M380 VanDerWaalsContact C-N 3.35Å |
| 381 | R | 39 | Very low | 38 | Very low | 212 Ų | 212 | 113.9 Ų | 113.9 | 80% | 0.8 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.5 | -42.6 | 167.5 | -68.8 | -177.4 | -179 | -151.6 | 0.1 | 111.6 | D377 I378 K383 | D377-R381 WeakPolarHBondContact O-CG 3.43Å; D377-R381 PolarHBondContact O-N 3.45Å; I378-R381 PolarHBondContact O-N 3.06Å; R381-K383 VanDerWaalsContact C-N 3.33Å; R381-K383 PolarHBondContact O-N 3.45Å |
| 382 | R | 36.9 | Very low | 37.7 | Very low | 164 Ų | 164 | 114.8 Ų | 114.8 | 62% | 0.619 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69 | -20.7 | 178.4 | -76.2 | 177 | 174.2 | 150.5 | 0.8 | 114.8 | I378 A379 Y384 L385 | I378-R382 HydrophobicContact CG2-CG 4.5Å; I378-R382 WeakPolarHBondContact O-CB 3.36Å; I378-R382 WeakPolarHBondContact O-CG 3.4Å; I378-R382 PolarHBondContact O-N 3.49Å; A379-R382 PolarHBondContact O-N 3.37Å; R382-Y384 PolarHBondContact O-N 3.17Å; R382-L385 WeakPolarHBondContact O-CB 3.41Å; R382-L385 PolarHBondContact O-N 2.88Å |
| 383 | K | 35.9 | Very low | 37.8 | Very low | 167 Ų | 167 | 116.4 Ų | 116.4 | 73% | 0.726 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 7.2 | 176.9 | -89.7 | -178 | 176.2 | -173.4 | 0 | 116.3 | A379 R381 | A379-K383 WeakPolarHBondContact O-CG 3.34Å; A379-K383 PolarHBondContact O-N 3.08Å; R381-K383 VanDerWaalsContact C-N 3.33Å; R381-K383 PolarHBondContact O-N 3.45Å |
| 384 | Y | 30.6 | Very low | 37.3 | Very low | 160 Ų | 160 | 123.2 Ų | 123.2 | 63% | 0.627 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 5.6 | 170.3 | -70.3 | -89.3 | 0 | 0 | 0 | 113.4 | R382 R713 | R382-Y384 PolarHBondContact O-N 3.17Å; Y384-R713 VanDerWaalsContact CZ-NH1 3.31Å; Y384-R713 VanDerWaalsContact CZ-NH2 3.3Å; Y384-R713 PolarHBondContact OH-NH1 2.81Å |
| 385 | L | 32.1 | Very low | 36.6 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -113.9 | 2.6 | -173.2 | -95.3 | 164.1 | 0 | 0 | 0 | 114.8 | R382 S387 | R382-L385 WeakPolarHBondContact O-CB 3.41Å; R382-L385 PolarHBondContact O-N 2.88Å; L385-S387 PolarHBondContact O-N 2.93Å |
| 386 | E | 32.2 | Very low | 35.7 | Very low | 187 Ų | 187 | 122.6 Ų | 122.6 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -104.6 | 80.4 | -171.9 | -156.2 | 148.8 | -141.2 | 0 | 0 | 110.7 | ||||
| 387 | S | 33 | Very low | 35.1 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | trans | -123.1 | 143.1 | 174.2 | 86.2 | 0 | 0 | 0 | 0 | 111.4 | L385 F389 | L385-S387 PolarHBondContact O-N 2.93Å; S387-F389 PolarHBondContact O-N 3.38Å | ||
| 388 | P | 36.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -90 | 50.2 | -150.7 | 37.1 | -39.6 | 0 | 0 | 0 | 115 | ||
| 389 | F | 33.6 | Very low | 33.7 | Very low | 89 Ų | 89 | 129 Ų | 129 | 39% | 0.39 | 72% | 0.716 | S | S | . | * | trans | -119.1 | 19.6 | -175.6 | -59 | -53.1 | 0 | 0 | 0 | 116 | S387 C391 G619 L621 | S387-F389 PolarHBondContact O-N 3.38Å; F389-C391 VanDerWaalsContact C-N 3.32Å; F389-C391 PolarHBondContact O-N 3.38Å; F389-G619 WeakPolarHBondContact CE1-O 3.28Å; F389-G619 VanDerWaalsContact CE2-O 3.29Å; F389-G619 WeakPolarHBondContact CE2-O 3.47Å; F389-G619 WeakPolarHBondContact CZ-O 3.31Å; F389-L621 HydrophobicContact CE2-CB 3.99Å; F389-L621 HydrophobicContact CE2-CD1 3.61Å; F389-L621 HydrophobicContact CE2-CG 3.6Å; F389-L621 HydrophobicContact CZ-CD1 4.14Å; F389-L621 HydrophobicContact CZ-CG 3.9Å | ||
| 390 | L | 32.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -76.4 | 81 | 169.3 | -84.3 | 166.8 | 0 | 0 | 0 | 111.3 | L392 | L390-L392 PolarHBondContact O-N 2.83Š| ||
| 391 | C | 32.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | -81.2 | 105 | 167.7 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | F389 C393 | F389-C391 VanDerWaalsContact C-N 3.32Å; F389-C391 PolarHBondContact O-N 3.38Å; C391-C393 PolarHBondContact O-N 3.04Å | ||
| 392 | L | 32.8 | Very low | 32.5 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -77.6 | 101.9 | 166.4 | -83.5 | 73.4 | 0 | 0 | 0 | 109.2 | L390 | L390-L392 PolarHBondContact O-N 2.83Š| ||
| 393 | C | 31.5 | Very low | 32.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 69% | 0.689 | 76% | 0.755 | S | S | * | * | trans | -151.2 | 117.8 | 165.7 | -97.5 | 0 | 0 | 0 | 0 | 113.6 | C391 | C391-C393 PolarHBondContact O-N 3.04Š| ||
| 394 | Q | 30.6 | Very low | 31.8 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | 59.1 | 77.7 | 147 | -58.6 | -175 | -6.2 | 0 | 0 | 119.4 | ||||
| 395 | A | 34.2 | Very low | 31.9 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | -127.9 | 135.3 | 128.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 396 | G | 27 | Very low | 31.8 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 97% | 0.969 | 77% | 0.774 | S | S | * | * | trans | -82.5 | 118.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 397 | G | 32 | Very low | 31.6 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | -170.9 | 116.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 398 | T | 31.1 | Very low | 31.5 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -73.7 | 129.7 | -174.7 | 39.4 | 0 | 0 | 0 | 0 | 111.5 | S400 | T398-S400 PolarHBondContact O-N 2.79Š| ||
| 399 | V | 31.2 | Very low | 31.1 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 32.7 | -175.5 | -150.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 400 | S | 31.4 | Very low | 30.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -2.3 | -165.2 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | T398 | T398-S400 PolarHBondContact O-N 2.79Š|
| 401 | S | 33.6 | Very low | 30.6 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -101.8 | -19 | 179.1 | -81 | 0 | 0 | 0 | 0 | 115 | M403 | S401-M403 VanDerWaalsContact C-N 3.25Å; S401-M403 PolarHBondContact O-N 3.06Å; S401-M403 VanDerWaalsContact O-N 3.16Å |
| 402 | L | 29.9 | Very low | 30.6 | Very low | 180 Ų | 180 | 142 Ų | 142 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 34.5 | -173.3 | -152.7 | 71.5 | 0 | 0 | 0 | 113.7 | ||
| 403 | M | 30.9 | Very low | 30.5 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | 16.5 | -175.9 | -150 | 175.3 | -173.7 | 0 | 0 | 113.5 | S401 | S401-M403 VanDerWaalsContact C-N 3.25Å; S401-M403 PolarHBondContact O-N 3.06Å; S401-M403 VanDerWaalsContact O-N 3.16Å |
| 404 | K | 28.1 | Very low | 30.3 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -148.5 | 63.1 | -179.9 | -73.4 | -167 | 174.7 | -175.3 | 0 | 113.9 | ||||
| 405 | T | 33.2 | Very low | 30.2 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -145.3 | 51.3 | 159.8 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 406 | S | 29.1 | Very low | 30.2 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 164.6 | 140 | 60.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 407 | D | 27.7 | Very low | 30.6 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | 60 | 89.5 | 161.9 | -40.4 | -54.5 | 0 | 0 | 0 | 116.3 | ||||
| 408 | N | 32.5 | Very low | 30.6 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | -168.8 | 128.1 | 117.4 | -100.8 | -58.3 | 0 | 0 | 0 | 114.4 | |||||
| 409 | F | 26.8 | Very low | 30.8 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | -60.8 | 162.6 | 153.2 | -68.7 | -118.7 | 0 | 0 | 0 | 108.7 | ||||
| 410 | T | 28.9 | Very low | 30.9 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | -163.5 | 165.2 | 24.8 | -26.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 411 | K | 28.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | 46.7 | 126.8 | 150.8 | -84.5 | 173 | 176 | 175.5 | 0 | 119.1 | ||||
| 412 | Y | 32.3 | Very low | 30.8 | Very low | 230 Ų | 230 | 145.7 Ų | 145.7 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | -161.4 | 130 | 105.1 | -96.2 | -70.2 | 0 | 0 | 0 | 110.4 | |||||
| 413 | N | 29.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -86.2 | 167.5 | 167.1 | -70.4 | -4.5 | 0 | 0 | 0 | 108.5 | ||||
| 414 | C | 27.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | -177.9 | 146.6 | 78.9 | -102.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 415 | I | 28.2 | Very low | 30.8 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | 72.2 | 109.8 | 145.4 | -58.6 | 159.3 | 0 | 0 | 0 | 119.2 | ||||
| 416 | P | 34.2 | Very low | 30.7 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -100.3 | 164.5 | 146.4 | 38.2 | -31 | 0 | 0 | 0 | 111.9 | ||||
| 417 | S | 35.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -137.7 | 123.6 | 178.2 | -80 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 418 | G | 31.1 | Very low | 31 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 92.3 | 81.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 419 | S | 36.8 | Very low | 31.1 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | -171 | 154.5 | 101.8 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 420 | K | 33.4 | Very low | 31.2 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -88.9 | 153.6 | -167.9 | -56.2 | 160.9 | -177.2 | 172.5 | 0 | 112 | ||||
| 421 | V | 31.2 | Very low | 31.4 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | -167.7 | 140.8 | 107.5 | 145.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 422 | A | 31.1 | Very low | 31.5 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 21.4 | 132 | 165.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 423 | C | 27.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 72% | 0.716 | 80% | 0.8 | S | S | * | * | trans | -94.3 | 172.5 | 171.4 | -40.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 424 | N | 33.4 | Very low | 31.5 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | -165.1 | 149.7 | 122.4 | -93.4 | -24.8 | 0 | 0 | 0 | 111.4 | |||||
| 425 | N | 28.6 | Very low | 31.6 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -106 | 150.2 | -163.6 | -58.3 | -30.4 | 0 | 0 | 0 | 113.5 | ||||
| 426 | S | 31 | Very low | 31.7 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | -170.7 | 99.8 | 127.9 | 20.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 427 | T | 29.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 28.8 | 114.8 | 131.8 | -43.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 428 | T | 33.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | -166 | 125.6 | 113.8 | 12.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 429 | N | 34.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 42.5 | 105.3 | 149.3 | -53.6 | -7.1 | 0 | 0 | 0 | 120.1 | ||||
| 430 | N | 28.7 | Very low | 31.1 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -85.2 | 146.2 | 154.7 | -65.4 | -42.6 | 0 | 0 | 0 | 110.4 | ||||
| 431 | E | 32.2 | Very low | 31 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | -126 | 109.2 | 158.5 | -169.6 | 169.3 | -171 | 0 | 0 | 108.2 | ||||
| 432 | L | 30.1 | Very low | 31.2 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -100.3 | 108.9 | -175.3 | -166.6 | 90.9 | 0 | 0 | 0 | 108.8 | ||||
| 433 | I | 34.4 | Very low | 31.2 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | trans | -92.8 | 116.2 | -175.3 | -56.2 | 177.9 | 0 | 0 | 0 | 110.3 | M435 | I433-M435 HydrophobicContact CG2-CE 3.6Å; I433-M435 PolarHBondContact O-N 3.09Å; I433-M435 VanDerWaalsContact O-N 3.15Å | ||
| 434 | D | 27.6 | Very low | 31.4 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | -64.4 | 107.6 | 172.1 | -84 | -41.3 | 0 | 0 | 0 | 111.6 | N436 | D434-N436 PolarHBondContact O-N 3.42Š| ||
| 435 | M | 31.4 | Very low | 31.4 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 79% | 0.793 | 70% | 0.703 | S | S | * | * | trans | -93.3 | 84.8 | 174.6 | -79.4 | -71.8 | 141.8 | 0 | 0 | 111.3 | I433 S437 | I433-M435 HydrophobicContact CG2-CE 3.6Å; I433-M435 PolarHBondContact O-N 3.09Å; I433-M435 VanDerWaalsContact O-N 3.15Å; M435-S437 PolarHBondContact O-N 3.32Å; M435-S437 VanDerWaalsContact O-N 3.13Å | ||
| 436 | N | 30.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | trans | -59.5 | 111.7 | 170.7 | -95.8 | -59.2 | 0 | 0 | 0 | 110.9 | D434 S438 | D434-N436 PolarHBondContact O-N 3.42Å; N436-S438 PolarHBondContact O-N 3.36Å | ||
| 437 | S | 31.1 | Very low | 31.5 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -77.7 | 74 | -169.5 | 41.7 | 0 | 0 | 0 | 0 | 113.7 | M435 L439 | M435-S437 PolarHBondContact O-N 3.32Å; M435-S437 VanDerWaalsContact O-N 3.13Å; S437-L439 PolarHBondContact O-N 2.93Å | ||
| 438 | S | 31.5 | Very low | 31.7 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | -75.1 | 78.6 | 174.5 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | N436 S440 | N436-S438 PolarHBondContact O-N 3.36Å; S438-S440 PolarHBondContact O-N 3.08Å | ||
| 439 | L | 32.9 | Very low | 31.7 | Very low | 158 Ų | 158 | 119.6 Ų | 119.6 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | trans | -56.3 | 122.5 | 172.5 | -85.7 | 74.6 | 0 | 0 | 0 | 110.5 | S437 A441 | S437-L439 PolarHBondContact O-N 2.93Å; L439-A441 PolarHBondContact O-N 2.81Å | ||
| 440 | S | 29.2 | Very low | 31.8 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 59% | 0.587 | 65% | 0.648 | S | S | * | * | trans | -71.1 | 126.5 | -179.3 | -78.6 | 0 | 0 | 0 | 0 | 111.5 | S438 H442 | S438-S440 PolarHBondContact O-N 3.08Å; S440-H442 PolarHBondContact O-N 3.41Å | ||
| 441 | A | 31.1 | Very low | 32.1 | Very low | 70 Ų | 70 | 116.7 Ų | 116.7 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 33.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L439 I444 | L439-A441 PolarHBondContact O-N 2.81Å; A441-I444 HydrophobicContact CB-CD1 4.42Å |
| 442 | H | 35.2 | Very low | 32.1 | Very low | 138 Ų | 138 | 112.8 Ų | 112.8 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | -14.3 | -172.8 | -71.8 | -58.7 | 0 | 0 | 0 | 115.7 | S440 | S440-H442 PolarHBondContact O-N 3.41Š|
| 443 | I | 31.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 55% | 0.549 | 62% | 0.623 | S | S | . | * | trans | -130.5 | 89.4 | 162.5 | -56.1 | -175.1 | 0 | 0 | 0 | 108.2 | Q735 Y736 | I443-Q735 WeakPolarHBondContact CD1-O 3.11Å; I443-Y736 HydrophobicContact CD1-CD2 4.38Å | ||
| 444 | I | 30.6 | Very low | 32.2 | Very low | 87 Ų | 87 | 114 Ų | 114 | 45% | 0.446 | 63% | 0.633 | S | S | . | * | trans | -113.6 | 93.4 | 171.9 | -56.2 | 179.4 | 0 | 0 | 0 | 107.6 | A441 P446 | A441-I444 HydrophobicContact CB-CD1 4.42Å; I444-P446 WeakPolarHBondContact O-CD 3.33Å | ||
| 445 | N | 33.8 | Very low | 32.2 | Very low | 33 Ų | 33 | 116.6 Ų | 116.6 | 18% | 0.176 | 64% | 0.641 | C | S | . | * | trans | -69.6 | 117.3 | 161.5 | -178.8 | -1.6 | 0 | 0 | 0 | 107.7 | A447 L448 V677 | N445-A447 PolarHBondContact O-N 3.18Å; N445-A447 WeakPolarHBondContact OD1-CB 3.42Å; N445-A447 PolarHBondContact OD1-N 3.01Å; N445-A447 VanDerWaalsContact OD1-N 3.09Å; N445-L448 HydrophobicContact CB-CD1 4.13Å; N445-L448 HydrophobicContact CB-CG 4.14Å; N445-L448 PolarHBondContact O-N 3.29Å; N445-V677 PolarHBondContact ND2-O 2.85Å; N445-V677 PolarHBondContact OD1-O 3.12Å | ||
| 446 | P | 31.6 | Very low | 32.4 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -59.9 | -27.9 | -179.7 | 23.9 | -33.6 | 0 | 0 | 0 | 112.5 | I444 L448 R449 | I444-P446 WeakPolarHBondContact O-CD 3.33Å; P446-L448 PolarHBondContact O-N 3.01Å; P446-L448 VanDerWaalsContact O-N 3.1Å; P446-R449 PolarHBondContact O-N 2.96Å; P446-R449 VanDerWaalsContact O-N 3.14Å |
| 447 | A | 31.3 | Very low | 32.3 | Very low | 25 Ų | 25 | 114.6 Ų | 114.6 | 21% | 0.207 | 64% | 0.637 | C | S | . | * | G | 310 helix | trans | -65.6 | -10 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N445 | N445-A447 PolarHBondContact O-N 3.18Å; N445-A447 WeakPolarHBondContact OD1-CB 3.42Å; N445-A447 PolarHBondContact OD1-N 3.01Å; N445-A447 VanDerWaalsContact OD1-N 3.09Å |
| 448 | L | 33.6 | Very low | 32.2 | Very low | 88 Ų | 88 | 113.2 Ų | 113.2 | 46% | 0.461 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -95.8 | -5.8 | 176 | -62.9 | 179.2 | 0 | 0 | 0 | 113.7 | N445 P446 I499 | N445-L448 HydrophobicContact CB-CD1 4.13Å; N445-L448 HydrophobicContact CB-CG 4.14Å; N445-L448 PolarHBondContact O-N 3.29Å; P446-L448 PolarHBondContact O-N 3.01Å; P446-L448 VanDerWaalsContact O-N 3.1Å; L448-I499 HydrophobicContact CD2-CD1 4.25Å |
| 449 | R | 34 | Very low | 32.1 | Very low | 173 Ų | 173 | 118.2 Ų | 118.2 | 65% | 0.653 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -30 | 177.3 | -77.5 | -166.9 | 167.1 | -153.4 | -5.1 | 113.6 | P446 L451 S452 | P446-R449 PolarHBondContact O-N 2.96Å; P446-R449 VanDerWaalsContact O-N 3.14Å; R449-L451 VanDerWaalsContact C-N 3.29Å; R449-L451 PolarHBondContact O-N 3.23Å; R449-S452 WeakPolarHBondContact O-CB 3.4Å; R449-S452 PolarHBondContact O-N 3.25Å |
| 450 | D | 36 | Very low | 31.8 | Very low | 146 Ų | 146 | 117.5 Ų | 117.5 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -9.5 | -174.5 | -62.3 | -30.6 | 0 | 0 | 0 | 113.9 | S452 | D450-S452 VanDerWaalsContact C-N 3.28Š|
| 451 | L | 35.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 58% | 0.581 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -0.3 | 172.5 | -92.2 | 67.4 | 0 | 0 | 0 | 113.4 | R449 | R449-L451 VanDerWaalsContact C-N 3.29Å; R449-L451 PolarHBondContact O-N 3.23Å |
| 452 | S | 31.3 | Very low | 31.7 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -87.7 | 0.2 | -168.6 | -168.4 | 0 | 0 | 0 | 0 | 115.8 | R449 D450 | R449-S452 WeakPolarHBondContact O-CB 3.4Å; R449-S452 PolarHBondContact O-N 3.25Å; D450-S452 VanDerWaalsContact C-N 3.28Å |
| 453 | V | 33.8 | Very low | 31.4 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 81% | 0.806 | 65% | 0.654 | S | S | * | * | trans | -142.2 | 72.5 | -176.8 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 454 | Q | 32.9 | Very low | 31.3 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -146.7 | 73 | 165.4 | -117.7 | 166.9 | 16 | 0 | 0 | 112.7 | V456 | Q454-V456 HydrophobicContact CB-CG2 4.38Å; Q454-V456 HydrophobicContact CG-CG2 4.11Å; Q454-V456 PolarHBondContact O-N 2.92Å; Q454-V456 VanDerWaalsContact O-N 3.11Å | ||
| 455 | Q | 28.3 | Very low | 31.4 | Very low | 197 Ų | 197 | 123.8 Ų | 123.8 | 92% | 0.921 | 67% | 0.674 | S | S | * | * | trans | -73.2 | 94.1 | 168.7 | -173.9 | 178.4 | 16.1 | 0 | 0 | 109.3 | ||||
| 456 | V | 35.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 126 Ų | 126 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | trans | -120.5 | 134.3 | 178.5 | -166.1 | 0 | 0 | 0 | 0 | 109.3 | Q454 | Q454-V456 HydrophobicContact CB-CG2 4.38Å; Q454-V456 HydrophobicContact CG-CG2 4.11Å; Q454-V456 PolarHBondContact O-N 2.92Å; Q454-V456 VanDerWaalsContact O-N 3.11Å | ||
| 457 | N | 29.2 | Very low | 31.7 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -60.2 | 142.5 | -174 | -75.3 | -5.5 | 0 | 0 | 0 | 112.4 | Y459 | N457-Y459 PolarHBondContact O-N 2.88Š| ||
| 458 | G | 27.3 | Very low | 32 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -67 | 128.2 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 459 | Y | 30.3 | Very low | 31.8 | Very low | 217 Ų | 217 | 130.1 Ų | 130.1 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | trans | -129.8 | 142.6 | 145.8 | -83.6 | -84.8 | 0 | 0 | 0 | 108.3 | N457 S461 | N457-Y459 PolarHBondContact O-N 2.88Å; Y459-S461 VanDerWaalsContact C-N 3.35Å; Y459-S461 PolarHBondContact O-N 3.15Å | ||
| 460 | I | 27.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 127 Ų | 127 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | trans | -77 | 89.4 | 178.4 | -59.3 | 173.9 | 0 | 0 | 0 | 107.9 | H462 | I460-H462 VanDerWaalsContact C-N 3.3Å; I460-H462 PolarHBondContact O-CD2 3.23Å; I460-H462 PolarHBondContact O-N 2.9Å | ||
| 461 | S | 28.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -72.6 | 85.1 | 175.5 | -72.9 | 0 | 0 | 0 | 0 | 110.6 | Y459 C463 | Y459-S461 VanDerWaalsContact C-N 3.35Å; Y459-S461 PolarHBondContact O-N 3.15Å; S461-C463 PolarHBondContact O-N 3.38Å | ||
| 462 | H | 28.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -52.7 | 120.6 | 170.8 | -59.9 | -85.9 | 0 | 0 | 0 | 110 | I460 T464 | I460-H462 VanDerWaalsContact C-N 3.3Å; I460-H462 PolarHBondContact O-CD2 3.23Å; I460-H462 PolarHBondContact O-N 2.9Å; H462-T464 PolarHBondContact O-N 2.81Å | ||
| 463 | C | 28.5 | Very low | 31.7 | Very low | 97 Ų | 97 | 132 Ų | 132 | 66% | 0.655 | 74% | 0.736 | S | S | * | * | trans | -68.7 | 97.2 | 173.6 | -73 | 0 | 0 | 0 | 0 | 109.4 | S461 M465 | S461-C463 PolarHBondContact O-N 3.38Å; C463-M465 VanDerWaalsContact C-N 3.33Å; C463-M465 PolarHBondContact O-N 3.27Å | ||
| 464 | T | 30.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -63.9 | 90.1 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | H462 | H462-T464 PolarHBondContact O-N 2.81Š| ||
| 465 | M | 32.1 | Very low | 31.7 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 62% | 0.621 | 74% | 0.737 | S | S | * | * | trans | -54.1 | 136.7 | 167.3 | -72 | -68.6 | 102.7 | 0 | 0 | 109.7 | C463 | C463-M465 VanDerWaalsContact C-N 3.33Å; C463-M465 PolarHBondContact O-N 3.27Å | ||
| 466 | P | 31.4 | Very low | 31.8 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 53% | 0.526 | 74% | 0.735 | S | S | . | * | trans | -59.3 | 145.9 | 175.8 | 24.9 | -32.8 | 0 | 0 | 0 | 110.3 | S468 C469 | P466-S468 PolarHBondContact O-N 3.08Å; P466-C469 PolarHBondContact O-N 2.83Å | ||
| 467 | V | 41.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 95% | 0.952 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -9.5 | -169.9 | -163.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 468 | S | 36.4 | Very low | 31.5 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 1.4 | 175.3 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | P466 P470 | P466-S468 PolarHBondContact O-N 3.08Å; S468-P470 WeakPolarHBondContact O-CD 3.45Å |
| 469 | C | 29.3 | Very low | 31.8 | Very low | 43 Ų | 43 | 125.9 Ų | 125.9 | 29% | 0.291 | 74% | 0.739 | S | S | . | * | trans | -66.6 | 119.2 | 176.5 | -81.4 | 0 | 0 | 0 | 0 | 112.1 | P466 F471 K472 | P466-C469 PolarHBondContact O-N 2.83Å; C469-F471 PolarHBondContact O-N 2.69Å; C469-K472 PolarHBondContact O-N 3.17Å | ||
| 470 | P | 33.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -68.3 | -10.2 | -175.6 | 27.5 | -35.4 | 0 | 0 | 0 | 114.4 | S468 K472 | S468-P470 WeakPolarHBondContact O-CD 3.45Å; P470-K472 VanDerWaalsContact C-N 3.25Å; P470-K472 PolarHBondContact O-N 2.98Å |
| 471 | F | 34.5 | Very low | 32.2 | Very low | 186 Ų | 186 | 122.4 Ų | 122.4 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -75.7 | 0.3 | 179.5 | -76.8 | -80.4 | 0 | 0 | 0 | 115.3 | C469 | C469-F471 PolarHBondContact O-N 2.69Š|
| 472 | K | 34.7 | Very low | 32.3 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -91 | -4.3 | -179.3 | -147.5 | 170.3 | -176.1 | 178.4 | 0 | 114.6 | C469 P470 N474 | C469-K472 PolarHBondContact O-N 3.17Å; P470-K472 VanDerWaalsContact C-N 3.25Å; P470-K472 PolarHBondContact O-N 2.98Å; K472-N474 PolarHBondContact O-N 3.44Å |
| 473 | A | 32.8 | Very low | 32.7 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -97 | 69.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 474 | N | 30.9 | Very low | 33 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 177.5 | -5.6 | 148 | -104.3 | -1.3 | 0 | 0 | 0 | 115.8 | K472 T476 | K472-N474 PolarHBondContact O-N 3.44Å; N474-T476 PolarHBondContact O-N 3.3Å |
| 475 | V | 35.2 | Very low | 33.1 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -84 | 62.2 | -175 | -164.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 476 | T | 30.3 | Very low | 33.3 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -135.4 | 76.7 | 167.1 | 44.5 | 0 | 0 | 0 | 0 | 108.4 | N474 | N474-T476 PolarHBondContact O-N 3.3Š| ||
| 477 | G | 30 | Very low | 33.5 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -172.9 | 87.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A479 | G477-A479 PolarHBondContact O-N 3.48Š| ||
| 478 | S | 29.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 92% | 0.923 | 75% | 0.75 | S | S | * | * | trans | -77.8 | 100.9 | -177.3 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 479 | A | 33.2 | Very low | 34 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | -140.5 | 121.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G477 I481 | G477-A479 PolarHBondContact O-N 3.48Å; A479-I481 PolarHBondContact O-N 3.42Å | ||
| 480 | S | 29.4 | Very low | 34.8 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 94% | 0.944 | 75% | 0.752 | S | S | * | * | trans | -74.4 | 112.3 | -178.2 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 481 | I | 36.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | -108.1 | 132.5 | 168.5 | -62 | 177.5 | 0 | 0 | 0 | 108.4 | A479 V483 | A479-I481 PolarHBondContact O-N 3.42Å; I481-V483 PolarHBondContact O-N 3.08Å | ||
| 482 | K | 30.7 | Very low | 36 | Very low | 203 Ų | 203 | 124.7 Ų | 124.7 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 123.2 | -180 | -64.3 | 178.8 | -179.7 | 178.3 | 0 | 109.5 | ||
| 483 | V | 37.4 | Very low | 36.4 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 124.1 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | I481 | I481-V483 PolarHBondContact O-N 3.08Š|
| 484 | D | 34.2 | Very low | 37 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 154.3 | 164 | -152.5 | -17.6 | 0 | 0 | 0 | 109.9 | H486 | D484-H486 PolarHBondContact O-N 3.15Å; D484-H486 VanDerWaalsContact O-N 3.15Å |
| 485 | K | 31.8 | Very low | 37.7 | Very low | 193 Ų | 193 | 118.7 Ų | 118.7 | 84% | 0.839 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -77.1 | 102.7 | -163 | -77 | -176.2 | 172.9 | -177.9 | 0 | 113.4 | ||
| 486 | H | 37.6 | Very low | 38.3 | Very low | 167 Ų | 167 | 114.5 Ų | 114.5 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | trans | -155.8 | 30.2 | 158.6 | -129.4 | -71.2 | 0 | 0 | 0 | 116.6 | D484 V488 | D484-H486 PolarHBondContact O-N 3.15Å; D484-H486 VanDerWaalsContact O-N 3.15Å; H486-V488 PolarHBondContact O-N 2.97Å | ||
| 487 | D | 34.3 | Very low | 38.8 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -68.4 | 119.1 | 174.5 | -168.9 | -1 | 0 | 0 | 0 | 111.3 | G489 I490 | D487-G489 PolarHBondContact OD1-N 3.25Å; D487-I490 PolarHBondContact OD1-N 2.97Å; D487-I490 WeakPolarHBondContact OD2-CD1 3.41Å | ||
| 488 | V | 46.7 | Very low | 39.4 | Very low | 63 Ų | 63 | 110.3 Ų | 110.3 | 38% | 0.382 | 63% | 0.626 | S | S | . | * | trans | -131.3 | -4.3 | -177.5 | 172.2 | 0 | 0 | 0 | 0 | 110 | H486 R733 | H486-V488 PolarHBondContact O-N 2.97Å; V488-R733 PolarHBondContact O-NH1 3.12Å; V488-R733 VanDerWaalsContact O-NH1 3.11Å; V488-R733 PolarHBondContact O-NH2 2.82Å | ||
| 489 | G | 43.1 | Very low | 40.2 | Very low | 43 Ų | 43 | 105.5 Ų | 105.5 | 44% | 0.443 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -118 | -16.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | D487 | D487-G489 PolarHBondContact OD1-N 3.25Š|
| 490 | I | 44.7 | Very low | 40.8 | Very low | 113 Ų | 113 | 107.1 Ų | 107.1 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -92.6 | -43.5 | -166.9 | -60.9 | -176.1 | 0 | 0 | 0 | 113.1 | D487 S492 R493 | D487-I490 PolarHBondContact OD1-N 2.97Å; D487-I490 WeakPolarHBondContact OD2-CD1 3.41Å; I490-S492 PolarHBondContact O-N 2.81Å; I490-R493 PolarHBondContact O-N 2.69Å |
| 491 | E | 45.1 | Very low | 41.5 | Very low | 145 Ų | 145 | 105.2 Ų | 105.2 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.4 | -34.1 | -168.3 | -63.1 | -173 | 136.5 | 0 | 0 | 115.1 | R493 S494 | E491-R493 PolarHBondContact O-N 3.15Å; E491-S494 WeakPolarHBondContact O-CB 3.22Å; E491-S494 PolarHBondContact O-N 3.3Å |
| 492 | S | 48.5 | Very low | 41.9 | Very low | 6 Ų | 6 | 106.4 Ų | 106.4 | 4% | 0.042 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -55.1 | -29.2 | 179.6 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | I490 E667 R733 | I490-S492 PolarHBondContact O-N 2.81Å; S492-E667 WeakPolarHBondContact CB-OE1 3.21Å; S492-E667 PolarHBondContact OG-OE1 3.37Å; S492-R733 PolarHBondContact OG-NH1 3.45Å |
| 493 | R | 42.8 | Very low | 42.2 | Very low | 124 Ų | 124 | 98 Ų | 98 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.3 | -26.4 | -178.1 | -59.1 | -176.3 | 179.4 | -171.3 | 1.2 | 112.4 | I490 E491 L496 A497 I538 | I490-R493 PolarHBondContact O-N 2.69Å; E491-R493 PolarHBondContact O-N 3.15Å; R493-L496 PolarHBondContact O-N 2.92Å; R493-A497 PolarHBondContact O-N 3.49Å; R493-I538 PolarHBondContact NH2-O 3.47Å |
| 494 | S | 45.6 | Very low | 42.1 | Very low | 83 Ų | 83 | 94 Ų | 94 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.1 | -35.9 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | E491 L496 A497 | E491-S494 WeakPolarHBondContact O-CB 3.22Å; E491-S494 PolarHBondContact O-N 3.3Å; S494-L496 PolarHBondContact O-N 3.02Å; S494-A497 VanDerWaalsContact O-CB 3.32Å; S494-A497 WeakPolarHBondContact O-CB 3.23Å; S494-A497 PolarHBondContact O-N 2.98Å; S494-A497 VanDerWaalsContact O-N 3.08Å |
| 495 | I | 46 | Very low | 42.5 | Very low | 94 Ų | 94 | 88.7 Ų | 88.7 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.2 | -35.3 | 178.7 | -56.9 | 175.3 | 0 | 0 | 0 | 111.1 | ||
| 496 | L | 46.6 | Very low | 42.8 | Very low | 52 Ų | 52 | 85.7 Ų | 85.7 | 27% | 0.272 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.3 | 179.1 | -115.3 | 75.6 | 0 | 0 | 0 | 114.7 | R493 S494 G498 I499 F666 | R493-L496 PolarHBondContact O-N 2.92Å; S494-L496 PolarHBondContact O-N 3.02Å; L496-G498 PolarHBondContact O-N 3.16Å; L496-I499 HydrophobicContact CD1-CD1 3.81Å; L496-I499 HydrophobicContact CG-CB 4.18Å; L496-I499 HydrophobicContact CG-CD1 4Å; L496-I499 HydrophobicContact CG-CG1 4.27Å; L496-I499 PolarHBondContact O-N 3.49Å; L496-F666 HydrophobicContact CD1-CE2 4.04Å; L496-F666 HydrophobicContact CD1-CZ 4Å; L496-F666 HydrophobicContact CD2-CD2 4.32Å; L496-F666 HydrophobicContact CD2-CE2 3.56Å; L496-F666 HydrophobicContact CD2-CZ 4.11Å; L496-F666 HydrophobicContact CG-CE2 4.3Å; L496-F666 HydrophobicContact CG-CZ 4.42Å |
| 497 | A | 42.8 | Very low | 42.7 | Very low | 72 Ų | 72 | 80.9 Ų | 80.9 | 60% | 0.595 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R493 S494 | R493-A497 PolarHBondContact O-N 3.49Å; S494-A497 VanDerWaalsContact O-CB 3.32Å; S494-A497 WeakPolarHBondContact O-CB 3.23Å; S494-A497 PolarHBondContact O-N 2.98Å; S494-A497 VanDerWaalsContact O-N 3.08Å |
| 498 | G | 41.1 | Very low | 42.6 | Very low | 53 Ų | 53 | 85.2 Ų | 85.2 | 55% | 0.546 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L496 | L496-G498 PolarHBondContact O-N 3.16Š|
| 499 | I | 46 | Very low | 42.4 | Very low | 31 Ų | 31 | 89 Ų | 89 | 16% | 0.159 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -97.2 | 102.1 | -178.5 | -47.2 | -172.5 | 0 | 0 | 0 | 108.7 | L448 L496 Y501 | L448-I499 HydrophobicContact CD2-CD1 4.25Å; L496-I499 HydrophobicContact CD1-CD1 3.81Å; L496-I499 HydrophobicContact CG-CB 4.18Å; L496-I499 HydrophobicContact CG-CD1 4Å; L496-I499 HydrophobicContact CG-CG1 4.27Å; L496-I499 PolarHBondContact O-N 3.49Å; I499-Y501 PolarHBondContact O-N 3.04Å |
| 500 | T | 45.3 | Very low | 42.1 | Very low | 118 Ų | 118 | 97.5 Ų | 97.5 | 72% | 0.724 | 51% | 0.514 | S | S | * | . | trans | -63.8 | 106.7 | 177.9 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | R502 | T500-R502 PolarHBondContact O-N 3.09Å; T500-R502 VanDerWaalsContact O-N 3.08Å | ||
| 501 | Y | 45 | Very low | 41.7 | Very low | 95 Ų | 95 | 96.9 Ų | 96.9 | 37% | 0.373 | 51% | 0.512 | S | S | . | . | trans | -63 | 113.2 | 176 | 178.2 | -108.2 | 0 | 0 | 0 | 110.1 | I499 P503 G543 Y545 | I499-Y501 PolarHBondContact O-N 3.04Å; Y501-P503 HydrophobicContact CD1-CG 4.42Å; Y501-P503 HydrophobicContact CE1-CG 3.65Å; Y501-G543 PolarHBondContact OH-O 3.11Å; Y501-Y545 HydrophobicContact CE2-CE1 4.21Å; Y501-Y545 AromaticContact CE2-CZ 3.98Å | ||
| 502 | R | 44 | Very low | 41.6 | Very low | 176 Ų | 176 | 98.2 Ų | 98.2 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | trans | -124.6 | 106.4 | 179.8 | -165.1 | 172.7 | -172.3 | 165.9 | 2.5 | 108.7 | T500 S504 | T500-R502 PolarHBondContact O-N 3.09Å; T500-R502 VanDerWaalsContact O-N 3.08Å; R502-S504 PolarHBondContact O-N 3.14Å | ||
| 503 | P | 36.7 | Very low | 40.9 | Very low | 27 Ų | 27 | 104.6 Ų | 104.6 | 18% | 0.175 | 54% | 0.541 | C | S | . | . | trans | -52.2 | 138.9 | 175.5 | -26.4 | 32.9 | 0 | 0 | 0 | 111.1 | Y501 G505 L507 | Y501-P503 HydrophobicContact CD1-CG 4.42Å; Y501-P503 HydrophobicContact CE1-CG 3.65Å; P503-G505 PolarHBondContact O-N 3.32Å; P503-L507 HydrophobicContact CB-CD2 3.85Å; P503-L507 HydrophobicContact CG-CD2 3.79Å | ||
| 504 | S | 37.1 | Very low | 40.6 | Very low | 60 Ų | 60 | 106.8 Ų | 106.8 | 42% | 0.42 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -79.7 | 36.3 | -168.4 | -46.5 | 0 | 0 | 0 | 0 | 114.1 | R502 A682 | R502-S504 PolarHBondContact O-N 3.14Å; S504-A682 WeakPolarHBondContact OG-CB 3.4Å |
| 505 | G | 42.3 | Very low | 39.8 | Very low | 37 Ų | 37 | 106.5 Ų | 106.5 | 38% | 0.381 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -145.9 | 169 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P503 L507 | P503-G505 PolarHBondContact O-N 3.32Å; G505-L507 PolarHBondContact O-N 3.46Å |
| 506 | P | 36.4 | Very low | 39.5 | Very low | 130 Ų | 130 | 108.8 Ų | 108.8 | 84% | 0.844 | 57% | 0.569 | S | S | * | * | trans | -72 | 92.3 | 179 | 29.9 | -34.3 | 0 | 0 | 0 | 110.9 | R508 | P506-R508 PolarHBondContact O-N 2.79Š| ||
| 507 | L | 36.1 | Very low | 38.9 | Very low | 66 Ų | 66 | 111.3 Ų | 111.3 | 35% | 0.346 | 59% | 0.591 | S | S | . | * | trans | -48.8 | 125.9 | 178.5 | -60.6 | 173.7 | 0 | 0 | 0 | 111.8 | P503 G505 Y512 | P503-L507 HydrophobicContact CB-CD2 3.85Å; P503-L507 HydrophobicContact CG-CD2 3.79Å; G505-L507 PolarHBondContact O-N 3.46Å; L507-Y512 HydrophobicContact CD1-CE2 4.29Å | ||
| 508 | R | 33.4 | Very low | 38.7 | Very low | 201 Ų | 201 | 111 Ų | 111 | 76% | 0.758 | 58% | 0.582 | S | S | * | * | trans | -94 | 150.3 | 162.9 | -74.5 | -171.2 | 160.6 | 116.8 | -1.4 | 109.1 | P506 R510 D511 | P506-R508 PolarHBondContact O-N 2.79Å; R508-R510 PolarHBondContact O-N 3.43Å; R508-D511 PolarHBondContact N-OD2 3.47Å; R508-D511 WeakPolarHBondContact O-CB 3.46Å; R508-D511 PolarHBondContact O-N 3.15Å | ||
| 509 | V | 42.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 112.9 Ų | 112.9 | 87% | 0.867 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -62.8 | -15.7 | -172.6 | 179.1 | 0 | 0 | 0 | 0 | 113.3 | D511 | V509-D511 VanDerWaalsContact C-N 3.34Š|
| 510 | R | 35.8 | Very low | 37.8 | Very low | 221 Ų | 221 | 116 Ų | 116 | 83% | 0.834 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -73.1 | -21.4 | 171.9 | -75.7 | -173.4 | 169.8 | -177.3 | -3.6 | 114.1 | R508 Y512 Q513 | R508-R510 PolarHBondContact O-N 3.43Å; R510-Y512 PolarHBondContact O-N 3.38Å; R510-Q513 PolarHBondContact O-N 2.85Å; R510-Q513 VanDerWaalsContact O-N 3.07Å |
| 511 | D | 37.3 | Very low | 37.5 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -74.1 | -12.4 | -167.3 | -51.2 | -15.4 | 0 | 0 | 0 | 112.9 | R508 V509 | R508-D511 PolarHBondContact N-OD2 3.47Å; R508-D511 WeakPolarHBondContact O-CB 3.46Å; R508-D511 PolarHBondContact O-N 3.15Å; V509-D511 VanDerWaalsContact C-N 3.34Å |
| 512 | Y | 43.5 | Very low | 37.7 | Very low | 173 Ų | 173 | 115.1 Ų | 115.1 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -83.1 | -8.7 | 172.5 | -76.3 | -78.4 | 0 | 0 | 0 | 114.1 | L507 R510 | L507-Y512 HydrophobicContact CD1-CE2 4.29Å; R510-Y512 PolarHBondContact O-N 3.38Å |
| 513 | Q | 32.8 | Very low | 38.5 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -98.1 | 103.1 | 174.5 | -169 | 156.7 | 5.1 | 0 | 0 | 109 | R510 P515 | R510-Q513 PolarHBondContact O-N 2.85Å; R510-Q513 VanDerWaalsContact O-N 3.07Å; Q513-P515 VanDerWaalsContact O-CD 3.25Å; Q513-P515 WeakPolarHBondContact O-CD 3.16Å |
| 514 | F | 36.7 | Very low | 40.4 | Very low | 171 Ų | 171 | 115 Ų | 115 | 75% | 0.75 | 61% | 0.607 | S | S | * | * | trans | -44.9 | 118.9 | 157.9 | -81.7 | -83.8 | 0 | 0 | 0 | 107.5 | T516 | F514-T516 PolarHBondContact O-N 3.09Š| ||
| 515 | P | 29.2 | Very low | 42.9 | Very low | 76 Ų | 76 | 113 Ų | 113 | 49% | 0.494 | 59% | 0.591 | S | S | . | * | trans | -67.7 | 107.3 | -177.6 | -19 | 31.4 | 0 | 0 | 0 | 108.3 | Q513 S517 V518 | Q513-P515 VanDerWaalsContact O-CD 3.25Å; Q513-P515 WeakPolarHBondContact O-CD 3.16Å; P515-S517 PolarHBondContact O-N 3.41Å; P515-V518 HydrophobicContact CB-CG2 3.77Å; P515-V518 HydrophobicContact CG-CG2 3.98Å; P515-V518 VanDerWaalsContact O-CG2 3.31Å; P515-V518 WeakPolarHBondContact O-CG2 2.99Å; P515-V518 PolarHBondContact O-N 2.91Å | ||
| 516 | T | 38.8 | Very low | 45.3 | Very low | 142 Ų | 142 | 111.2 Ų | 111.2 | 87% | 0.871 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -1.8 | 168.2 | 43.8 | 0 | 0 | 0 | 0 | 112 | F514 | F514-T516 PolarHBondContact O-N 3.09Š|
| 517 | S | 33.9 | Very low | 47.9 | Very low | 105 Ų | 105 | 105 Ų | 105 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 31.9 | 167.8 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | P515 N519 | P515-S517 PolarHBondContact O-N 3.41Å; S517-N519 PolarHBondContact O-N 2.84Å; S517-N519 VanDerWaalsContact O-N 3.13Å |
| 518 | V | 38.4 | Very low | 50.7 | Low | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | trans | -57.6 | 122.1 | 163.5 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | P515 | P515-V518 HydrophobicContact CB-CG2 3.77Å; P515-V518 HydrophobicContact CG-CG2 3.98Å; P515-V518 VanDerWaalsContact O-CG2 3.31Å; P515-V518 WeakPolarHBondContact O-CG2 2.99Å; P515-V518 PolarHBondContact O-N 2.91Å | ||
| 519 | N | 32.9 | Very low | 53.4 | Low | 91 Ų | 91 | 92.5 Ų | 92.5 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | trans | -57.5 | 121.5 | 172.2 | -179.4 | -32.8 | 0 | 0 | 0 | 108.4 | S517 N521 S522 | S517-N519 PolarHBondContact O-N 2.84Å; S517-N519 VanDerWaalsContact O-N 3.13Å; N519-N521 PolarHBondContact O-N 3.4Å; N519-N521 WeakPolarHBondContact OD1-CB 3.45Å; N519-N521 PolarHBondContact OD1-N 2.83Å; N519-N521 VanDerWaalsContact OD1-N 3.08Å; N519-S522 WeakPolarHBondContact O-CB 3.44Å; N519-S522 PolarHBondContact O-N 3.07Å | ||
| 520 | P | 36.7 | Very low | 55.7 | Low | 98 Ų | 98 | 86.3 Ų | 86.3 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.9 | -172 | 25.6 | -35.2 | 0 | 0 | 0 | 114.1 | L523 | P520-L523 WeakPolarHBondContact O-CD2 3.38Å; P520-L523 WeakPolarHBondContact O-CG 3.04Å |
| 521 | N | 38.1 | Very low | 58.2 | Low | 130 Ų | 130 | 78 Ų | 78 | 70% | 0.695 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -14 | 171.7 | -61.4 | -24.5 | 0 | 0 | 0 | 113.3 | N519 L523 | N519-N521 PolarHBondContact O-N 3.4Å; N519-N521 WeakPolarHBondContact OD1-CB 3.45Å; N519-N521 PolarHBondContact OD1-N 2.83Å; N519-N521 VanDerWaalsContact OD1-N 3.08Å; N521-L523 VanDerWaalsContact C-N 3.32Å; N521-L523 PolarHBondContact O-N 3.13Å |
| 522 | S | 48.8 | Very low | 60.5 | Low | 64 Ų | 64 | 75.6 Ų | 75.6 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | trans | -93.9 | 51.9 | 178 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | N519 W524 | N519-S522 WeakPolarHBondContact O-CB 3.44Å; N519-S522 PolarHBondContact O-N 3.07Å; S522-W524 PolarHBondContact O-N 2.81Å; S522-W524 VanDerWaalsContact O-N 3.07Å | ||
| 523 | L | 62.3 | Low | 62.2 | Low | 100 Ų | 100 | 70.7 Ų | 70.7 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -69.4 | 103.2 | 178.4 | -60.7 | 176.9 | 0 | 0 | 0 | 110.5 | P520 N521 | P520-L523 WeakPolarHBondContact O-CD2 3.38Å; P520-L523 WeakPolarHBondContact O-CG 3.04Å; N521-L523 VanDerWaalsContact C-N 3.32Å; N521-L523 PolarHBondContact O-N 3.13Å | ||
| 524 | W | 76.2 | Confident | 63.9 | Low | 101 Ų | 101 | 71 Ų | 71 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | trans | -57.4 | 136 | 164.4 | -58.2 | 104.6 | 0 | 0 | 0 | 109.6 | S522 L541 E661 W663 | S522-W524 PolarHBondContact O-N 2.81Å; S522-W524 VanDerWaalsContact O-N 3.07Å; W524-L541 VanDerWaalsContact C-CD1 3.45Å; W524-L541 HydrophobicContact CB-CD1 3.85Å; W524-L541 WeakPolarHBondContact O-CD1 3.19Å; W524-E661 VanDerWaalsContact CH2-OE1 3.24Å; W524-E661 WeakPolarHBondContact CH2-OE1 3.18Å; W524-E661 WeakPolarHBondContact CZ3-OE1 3.33Å; W524-W663 AromaticContact CD2-NE1 3.94Å; W524-W663 AromaticContact CE3-CD1 3.46Å; W524-W663 VanDerWaalsContact CE3-CD1 3.46Å; W524-W663 HydrophobicContact CE3-CG 4.23Å; W524-W663 AromaticContact CE3-NE1 3.43Å; W524-W663 AromaticContact CH2-NE1 3.95Å; W524-W663 AromaticContact CZ3-CD1 3.75Å; W524-W663 AromaticContact CZ3-NE1 3.43Å | ||
| 525 | I | 89 | Confident | 65.5 | Low | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 149.7 | 179.1 | 58.6 | 176.2 | 0 | 0 | 0 | 110.7 | A527 E531 D532 R653 P654 R655 | I525-A527 PolarHBondContact O-N 3.43Å; I525-E531 CarbonylContact C-O 3.54Å; I525-E531 WeakPolarHBondContact CA-O 3.4Å; I525-D532 HydrophobicContact CG2-CB 4.21Å; I525-R653 HydrophobicContact CD1-CB 3.69Å; I525-P654 WeakPolarHBondContact CD1-O 3.41Å; I525-R655 HydrophobicContact CD1-CG 4.06Å |
| 526 | C | 92.1 | Very high | 67 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -62.9 | 123.3 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110 | F528 C529 G530 E531 L541 W663 H665 | C526-F528 PolarHBondContact O-N 3.15Å; C526-F528 VanDerWaalsContact O-N 3.15Å; C526-F528 PolarHBondContact SG-N 3.01Å; C526-F528 VanDerWaalsContact SG-N 3.44Å; C526-C529 VanDerWaalsContact CB-SG 3.51Å; C526-C529 PolarHBondContact O-N 3.21Å; C526-C529 PolarHBondContact SG-N 2.92Å; C526-C529 VanDerWaalsContact SG-N 3.41Å; C526-G530 VanDerWaalsContact O-CA 3.29Å; C526-G530 WeakPolarHBondContact O-CA 3.29Å; C526-G530 PolarHBondContact O-N 3.4Å; C526-E531 PolarHBondContact N-O 3.29Å; C526-L541 HydrophobicContact CB-CD2 3.52Å; C526-W663 CarbonylContact C-O 3.46Å; C526-W663 VanDerWaalsContact CA-O 3.31Å; C526-W663 WeakPolarHBondContact CA-O 3.47Å; C526-H665 VanDerWaalsContact CB-ND1 3.31Å; C526-H665 WeakPolarHBondContact CB-ND1 3.12Å | ||
| 527 | A | 92.3 | Very high | 68.3 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I525 R655 V662 W663 F664 L690 | I525-A527 PolarHBondContact O-N 3.43Å; A527-R655 HydrophobicContact CB-CB 4.15Å; A527-R655 WeakPolarHBondContact O-CD 3.42Å; A527-R655 PolarHBondContact O-NH1 2.89Å; A527-V662 HydrophobicContact CB-CB 4.21Å; A527-V662 HydrophobicContact CB-CG1 4.04Å; A527-W663 PolarHBondContact N-O 3.07Å; A527-F664 HydrophobicContact CB-CD1 4.15Å; A527-F664 HydrophobicContact CB-CE1 3.61Å; A527-F664 HydrophobicContact CB-CZ 4.05Å; A527-L690 HydrophobicContact CB-CD1 4.02Å; A527-L690 HydrophobicContact CB-CD2 4.32Å; A527-L690 VanDerWaalsContact O-CD1 3.25Å; A527-L690 WeakPolarHBondContact O-CD1 3.1Å |
| 528 | F | 93.4 | Very high | 70.3 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -63.3 | 169.5 | -64.1 | -46.8 | 0 | 0 | 0 | 113.5 | C526 R655 F664 C668 V669 A672 T675 A689 L690 A693 G705 I707 | C526-F528 PolarHBondContact O-N 3.15Å; C526-F528 VanDerWaalsContact O-N 3.15Å; C526-F528 PolarHBondContact SG-N 3.01Å; C526-F528 VanDerWaalsContact SG-N 3.44Å; F528-R655 PolarHBondContact O-NH1 2.91Å; F528-F664 HydrophobicContact CB-CD1 4.39Å; F528-F664 HydrophobicContact CD1-CD1 4.43Å; F528-F664 AromaticContact CD1-CE1 3.96Å; F528-F664 HydrophobicContact CD1-CE1 3.96Å; F528-F664 AromaticContact CD2-CD1 3.19Å; F528-F664 HydrophobicContact CD2-CD1 3.19Å; F528-F664 AromaticContact CD2-CE1 3.46Å; F528-F664 HydrophobicContact CD2-CE1 3.46Å; F528-F664 VanDerWaalsContact CD2-CE1 3.46Å; F528-F664 HydrophobicContact CD2-CG 4.19Å; F528-F664 AromaticContact CE1-CE1 3.9Å; F528-F664 HydrophobicContact CE1-CE1 3.9Å; F528-F664 AromaticContact CE2-CD1 3.39Å; F528-F664 HydrophobicContact CE2-CD1 3.39Å; F528-F664 AromaticContact CE2-CE1 3.35Å; F528-F664 HydrophobicContact CE2-CE1 3.35Å; F528-F664 HydrophobicContact CE2-CG 4.21Å; F528-F664 HydrophobicContact CE2-CZ 4.18Å; F528-F664 AromaticContact CG-CD1 3.76Å; F528-F664 HydrophobicContact CG-CD1 3.76Å; F528-F664 AromaticContact CG-CE1 3.76Å; F528-F664 HydrophobicContact CG-CE1 3.76Å; F528-F664 HydrophobicContact CZ-CD1 4.14Å; F528-F664 AromaticContact CZ-CE1 3.6Å; F528-F664 HydrophobicContact CZ-CE1 3.6Å; F528-F664 HydrophobicContact CZ-CZ 4.2Å; F528-C668 HydrophobicContact CB-CB 4.32Å; F528-C668 HydrophobicContact CD2-CB 4.23Å; F528-C668 WeakPolarHBondContact CD2-O 3.42Å; F528-V669 HydrophobicContact CE2-CB 4.02Å; F528-V669 HydrophobicContact CE2-CG2 4.19Å; F528-A672 HydrophobicContact CE2-CB 3.76Å; F528-A672 HydrophobicContact CZ-CB 3.81Å; F528-T675 HydrophobicContact CZ-CG2 4.47Å; F528-A689 HydrophobicContact CE1-CB 4.26Å; F528-A689 HydrophobicContact CZ-CB 4.15Å; F528-L690 HydrophobicContact CD1-CD1 4.1Å; F528-L690 HydrophobicContact CE1-CB 4.25Å; F528-L690 HydrophobicContact CE1-CD1 4.31Å; F528-A693 HydrophobicContact CD1-CB 3.53Å; F528-A693 HydrophobicContact CE1-CB 4.08Å; F528-G705 CarbonylContact O-C 3.57Å; F528-G705 WeakPolarHBondContact O-CA 3.1Å; F528-I707 HydrophobicContact CB-CG2 4.04Å; F528-I707 HydrophobicContact CD1-CB 4.11Å; F528-I707 HydrophobicContact CD1-CG1 4.07Å; F528-I707 HydrophobicContact CD1-CG2 4.3Å; F528-I707 HydrophobicContact CD2-CG2 4.25Å; F528-I707 HydrophobicContact CE1-CD1 4.46Å; F528-I707 HydrophobicContact CE1-CG1 4Å; F528-I707 HydrophobicContact CG-CB 4.28Å; F528-I707 HydrophobicContact CG-CG1 4.48Å; F528-I707 HydrophobicContact CG-CG2 3.96Å; F528-I707 HydrophobicContact CZ-CG1 4.36Å |
| 529 | C | 92 | Very high | 72 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -26.4 | -173.9 | 75 | 0 | 0 | 0 | 0 | 114.5 | C526 E531 H665 H720 | C526-C529 VanDerWaalsContact CB-SG 3.51Å; C526-C529 PolarHBondContact O-N 3.21Å; C526-C529 PolarHBondContact SG-N 2.92Å; C526-C529 VanDerWaalsContact SG-N 3.41Å; C529-E531 HydrophobicContact CB-CG 4.37Å; C529-E531 PolarHBondContact SG-N 3.4Å; C529-H665 PolarHBondContact SG-CE1 3.15Å; C529-H665 PolarHBondContact SG-ND1 2.81Å; C529-H665 VanDerWaalsContact SG-ND1 3.38Å; C529-H720 HydrophobicContact CB-CB 4.43Å |
| 530 | G | 89.8 | Confident | 74.4 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | trans | 83.1 | 11.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C526 | C526-G530 VanDerWaalsContact O-CA 3.29Å; C526-G530 WeakPolarHBondContact O-CA 3.29Å; C526-G530 PolarHBondContact O-N 3.4Å | ||
| 531 | E | 89 | Confident | 76.8 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | trans | -114 | 163.6 | -178.6 | -38.1 | -85.7 | -161.7 | 0 | 0 | 110 | I525 C526 C529 Y535 K703 | I525-E531 CarbonylContact C-O 3.54Å; I525-E531 WeakPolarHBondContact CA-O 3.4Å; C526-E531 PolarHBondContact N-O 3.29Å; C529-E531 HydrophobicContact CB-CG 4.37Å; C529-E531 PolarHBondContact SG-N 3.4Å; E531-Y535 HydrophobicContact CB-CD1 3.94Å; E531-Y535 HydrophobicContact CB-CD2 3.53Å; E531-Y535 HydrophobicContact CB-CE2 4.24Å; E531-Y535 HydrophobicContact CB-CG 3.35Å; E531-Y535 HydrophobicContact CG-CD1 4.04Å; E531-Y535 HydrophobicContact CG-CD2 3.55Å; E531-Y535 HydrophobicContact CG-CE1 4.22Å; E531-Y535 HydrophobicContact CG-CE2 3.72Å; E531-Y535 HydrophobicContact CG-CG 3.72Å; E531-K703 VanDerWaalsContact CD-NZ 3.32Å; E531-K703 IonicContact OE1-NZ 2.63Å; E531-K703 PolarHBondContact OE1-NZ 2.97Å; E531-K703 IonicContact OE2-NZ 3.24Å; E531-K703 PolarHBondContact OE2-NZ 3.24Å | ||
| 532 | D | 84.8 | Confident | 79.1 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -93 | -171.7 | -168.8 | 64 | 32.8 | 0 | 0 | 0 | 115.2 | I525 N534 Y535 H665 | I525-D532 HydrophobicContact CG2-CB 4.21Å; D532-N534 PolarHBondContact O-N 3.03Å; D532-N534 WeakPolarHBondContact OD1-CA 3.49Å; D532-N534 WeakPolarHBondContact OD1-CB 3.42Å; D532-N534 PolarHBondContact OD1-N 3.11Å; D532-Y535 WeakPolarHBondContact O-CB 3.45Å; D532-Y535 PolarHBondContact O-N 2.76Å; D532-Y535 VanDerWaalsContact O-N 3.15Å; D532-Y535 PolarHBondContact OD1-N 3.19Å; D532-H665 PolarHBondContact O-CE1 2.99Å; D532-H665 PolarHBondContact O-NE2 3.45Å |
| 533 | N | 78.2 | Confident | 80.8 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.3 | 175.4 | -78.1 | -37.2 | 0 | 0 | 0 | 114.6 | Y535 L541 | N533-Y535 VanDerWaalsContact C-N 3.35Å; N533-L541 WeakPolarHBondContact OD1-CB 3.21Å; N533-L541 VanDerWaalsContact OD1-CG 3.28Å; N533-L541 WeakPolarHBondContact OD1-CG 3.31Å; N533-L541 PolarHBondContact OD1-N 3.06Å |
| 534 | N | 69.7 | Low | 81.9 | Confident | 145 Ų | 145 | 44.8 Ų | 44.8 | 78% | 0.775 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.1 | -176.9 | -65.4 | -1.5 | 0 | 0 | 0 | 111.9 | D532 T536 | D532-N534 PolarHBondContact O-N 3.03Å; D532-N534 WeakPolarHBondContact OD1-CA 3.49Å; D532-N534 WeakPolarHBondContact OD1-CB 3.42Å; D532-N534 PolarHBondContact OD1-N 3.11Å; N534-T536 VanDerWaalsContact C-N 3.33Å; N534-T536 PolarHBondContact O-N 3.35Å |
| 535 | Y | 69.1 | Low | 82.6 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -73.7 | 83 | 179 | -173.5 | -101.9 | 0 | 0 | 0 | 112.5 | E531 D532 N533 I538 Q722 | E531-Y535 HydrophobicContact CB-CD1 3.94Å; E531-Y535 HydrophobicContact CB-CD2 3.53Å; E531-Y535 HydrophobicContact CB-CE2 4.24Å; E531-Y535 HydrophobicContact CB-CG 3.35Å; E531-Y535 HydrophobicContact CG-CD1 4.04Å; E531-Y535 HydrophobicContact CG-CD2 3.55Å; E531-Y535 HydrophobicContact CG-CE1 4.22Å; E531-Y535 HydrophobicContact CG-CE2 3.72Å; E531-Y535 HydrophobicContact CG-CG 3.72Å; D532-Y535 WeakPolarHBondContact O-CB 3.45Å; D532-Y535 PolarHBondContact O-N 2.76Å; D532-Y535 VanDerWaalsContact O-N 3.15Å; D532-Y535 PolarHBondContact OD1-N 3.19Å; N533-Y535 VanDerWaalsContact C-N 3.35Å; Y535-I538 HydrophobicContact CD1-CD1 3.8Å; Y535-I538 HydrophobicContact CE1-CD1 4.05Å; Y535-Q722 HydrophobicContact CE1-CB 4.02Å |
| 536 | T | 61.9 | Low | 82.6 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 33% | 0.331 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 60.8 | 178.2 | 173.7 | 57 | 0 | 0 | 0 | 0 | 114.7 | N534 I538 Q722 | N534-T536 VanDerWaalsContact C-N 3.33Å; N534-T536 PolarHBondContact O-N 3.35Å; T536-I538 PolarHBondContact O-N 3.28Å; T536-Q722 HydrophobicContact CG2-CG 4.29Å; T536-Q722 WeakPolarHBondContact OG1-CG 3.44Å |
| 537 | E | 66.4 | Low | 82.5 | Confident | 182 Ų | 182 | 45.9 Ų | 45.9 | 85% | 0.85 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 3.8 | -166.9 | -67.7 | 158 | -175.3 | 0 | 0 | 115.2 | G539 | E537-G539 PolarHBondContact O-N 3.1Å; E537-G539 VanDerWaalsContact O-N 3.15Å |
| 538 | I | 74.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33 | 174.7 | -34.7 | 178.4 | 0 | 0 | 0 | 111.2 | R493 Y535 T536 H665 E667 Y721 Q722 | R493-I538 PolarHBondContact NH2-O 3.47Å; Y535-I538 HydrophobicContact CD1-CD1 3.8Å; Y535-I538 HydrophobicContact CE1-CD1 4.05Å; T536-I538 PolarHBondContact O-N 3.28Å; I538-H665 HydrophobicContact CB-CB 4.46Å; I538-H665 HydrophobicContact CG2-CB 3.81Å; I538-E667 HydrophobicContact CG2-CB 3.76Å; I538-E667 HydrophobicContact CG2-CG 4.05Å; I538-Y721 HydrophobicContact CD1-CD1 4.44Å; I538-Y721 HydrophobicContact CG1-CD1 4.42Å; I538-Y721 HydrophobicContact CG2-CD1 4.18Å; I538-Y721 HydrophobicContact CG2-CE1 4.45Å; I538-Q722 HydrophobicContact CD1-CB 4.12Å |
| 539 | G | 74.8 | Confident | 82 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | trans | 98.9 | -165.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E537 H665 | E537-G539 PolarHBondContact O-N 3.1Å; E537-G539 VanDerWaalsContact O-N 3.15Å; G539-H665 PolarHBondContact O-CD2 3.2Å; G539-H665 VanDerWaalsContact O-CD2 3.29Å | ||
| 540 | C | 82.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | trans | -66.1 | 165.3 | -173.6 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | Y542 | C540-Y542 VanDerWaalsContact O-CD2 3.22Å; C540-Y542 WeakPolarHBondContact O-CD2 3.43Å; C540-Y542 WeakPolarHBondContact O-CE2 3.47Å | ||
| 541 | L | 87.6 | Confident | 81.8 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.1 | 163.2 | -61.7 | 174.5 | 0 | 0 | 0 | 110.9 | W524 C526 N533 W663 F664 | W524-L541 VanDerWaalsContact C-CD1 3.45Å; W524-L541 HydrophobicContact CB-CD1 3.85Å; W524-L541 WeakPolarHBondContact O-CD1 3.19Å; C526-L541 HydrophobicContact CB-CD2 3.52Å; N533-L541 WeakPolarHBondContact OD1-CB 3.21Å; N533-L541 VanDerWaalsContact OD1-CG 3.28Å; N533-L541 WeakPolarHBondContact OD1-CG 3.31Å; N533-L541 PolarHBondContact OD1-N 3.06Å; L541-W663 HydrophobicContact CB-CB 4.31Å; L541-W663 HydrophobicContact CB-CE3 4.07Å; L541-W663 HydrophobicContact CD1-CB 4.4Å; L541-F664 CarbonylContact C-O 3.55Å; L541-F664 WeakPolarHBondContact CA-O 3.29Å |
| 542 | Y | 85.9 | Confident | 81.6 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.2 | 177.8 | -66.2 | -106.7 | 0 | 0 | 0 | 108.5 | C540 Y545 W663 F664 F666 | C540-Y542 VanDerWaalsContact O-CD2 3.22Å; C540-Y542 WeakPolarHBondContact O-CD2 3.43Å; C540-Y542 WeakPolarHBondContact O-CE2 3.47Å; Y542-Y545 WeakPolarHBondContact O-CE2 3.3Å; Y542-W663 WeakPolarHBondContact O-CA 3.42Å; Y542-F664 PolarHBondContact N-O 3.13Å; Y542-F664 PolarHBondContact O-N 3.22Å; Y542-F666 HydrophobicContact CD2-CB 3.87Å; Y542-F666 HydrophobicContact CE2-CB 3.57Å |
| 543 | G | 85.9 | Confident | 81.6 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | 176.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y501 W663 | Y501-G543 PolarHBondContact OH-O 3.11Å; G543-W663 VanDerWaalsContact C-CH2 3.47Å; G543-W663 VanDerWaalsContact O-CH2 3.23Å; G543-W663 WeakPolarHBondContact O-CH2 3.25Å; G543-W663 VanDerWaalsContact O-CZ3 3.3Å; G543-W663 WeakPolarHBondContact O-CZ3 3.32Å |
| 544 | P | 86 | Confident | 82 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -77 | 134 | 4.9 | 29.9 | -35.6 | 0 | 0 | 0 | 113.4 | W546 E661 W663 | P544-W546 HydrophobicContact CB-CZ2 3.85Å; P544-W546 HydrophobicContact CG-CZ2 4.05Å; P544-E661 HydrophobicContact CB-CG 3.62Å; P544-W663 HydrophobicContact CB-CZ2 4.36Å |
| 545 | Y | 89.8 | Confident | 82.6 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 162.8 | 160.8 | -61.1 | -76 | 0 | 0 | 0 | 109.8 | Y501 Y542 E661 V662 F664 V683 L686 | Y501-Y545 HydrophobicContact CE2-CE1 4.21Å; Y501-Y545 AromaticContact CE2-CZ 3.98Å; Y542-Y545 WeakPolarHBondContact O-CE2 3.3Å; Y545-E661 CarbonylContact O-C 3.23Å; Y545-E661 WeakPolarHBondContact O-CA 3.45Å; Y545-V662 PolarHBondContact N-O 3.2Å; Y545-V662 PolarHBondContact O-N 2.94Å; Y545-F664 AromaticContact CD2-CD2 3.9Å; Y545-F664 HydrophobicContact CD2-CD2 3.9Å; Y545-F664 HydrophobicContact CD2-CE2 4.33Å; Y545-F664 HydrophobicContact CE2-CD2 4.43Å; Y545-V683 HydrophobicContact CD1-CB 4.16Å; Y545-V683 HydrophobicContact CD1-CG2 4.12Å; Y545-V683 HydrophobicContact CE1-CB 4.08Å; Y545-V683 HydrophobicContact CE1-CG2 3.52Å; Y545-L686 HydrophobicContact CG-CD1 4.33Å |
| 546 | W | 89.5 | Confident | 83.2 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.5 | -167.3 | -57.5 | 89.4 | 0 | 0 | 0 | 111.4 | P544 N659 E661 | P544-W546 HydrophobicContact CB-CZ2 3.85Å; P544-W546 HydrophobicContact CG-CZ2 4.05Å; W546-N659 HydrophobicContact CZ3-CB 4.03Å; W546-N659 WeakPolarHBondContact CZ3-ND2 3.42Å; W546-E661 HydrophobicContact CE3-CB 4.32Å; W546-E661 HydrophobicContact CH2-CB 4.16Å; W546-E661 HydrophobicContact CH2-CG 4.33Å; W546-E661 HydrophobicContact CZ3-CB 3.91Å |
| 547 | L | 90.3 | Very high | 84 | Confident | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | trans | -81.3 | 150.1 | 169.8 | -61.2 | 179.4 | 0 | 0 | 0 | 110.5 | D551 M552 L555 V656 G660 V662 L686 L690 | L547-D551 HydrophobicContact CB-CB 4.25Å; L547-M552 HydrophobicContact CB-CG 4.16Å; L547-L555 HydrophobicContact CD1-CD1 3.67Å; L547-V656 HydrophobicContact CD1-CG1 3.82Å; L547-V656 HydrophobicContact CD1-CG2 4.06Å; L547-G660 PolarHBondContact N-O 3.41Å; L547-V662 HydrophobicContact CD1-CG1 3.88Å; L547-V662 HydrophobicContact CD2-CG2 4.17Å; L547-V662 HydrophobicContact CG-CG1 4.07Å; L547-V662 HydrophobicContact CG-CG2 4.02Å; L547-L686 HydrophobicContact CD2-CB 3.77Å; L547-L690 HydrophobicContact CD1-CD2 3.89Å; L547-L690 HydrophobicContact CD2-CD2 4.46Å | ||
| 548 | T | 88.7 | Confident | 84.7 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | trans | -74.9 | 159 | 172 | 75.5 | 0 | 0 | 0 | 0 | 110.9 | A550 D551 M552 | T548-A550 PolarHBondContact O-N 2.81Å; T548-A550 PolarHBondContact OG1-N 2.91Å; T548-D551 VanDerWaalsContact CB-OD2 3.28Å; T548-D551 WeakPolarHBondContact CB-OD2 3.41Å; T548-D551 WeakPolarHBondContact CG2-OD2 3.44Å; T548-D551 PolarHBondContact N-OD2 3.24Å; T548-D551 WeakPolarHBondContact O-CB 3.26Å; T548-D551 PolarHBondContact O-N 3.38Å; T548-D551 PolarHBondContact OG1-N 3.48Å; T548-D551 PolarHBondContact OG1-OD2 3.16Å; T548-M552 PolarHBondContact O-N 2.9Å | ||
| 549 | E | 86.3 | Confident | 85 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.1 | -27.7 | 174.6 | -154.3 | -154.6 | 159 | 0 | 0 | 112.4 | M552 K553 | E549-M552 HydrophobicContact CB-CE 4.49Å; E549-M552 HydrophobicContact CG-CE 4.36Å; E549-K553 VanDerWaalsContact O-CD 3.32Å; E549-K553 WeakPolarHBondContact O-CD 3.39Å; E549-K553 VanDerWaalsContact O-CG 3.23Å; E549-K553 WeakPolarHBondContact O-CG 3.44Å; E549-K553 PolarHBondContact O-N 3.4Å; E549-K553 WeakPolarHBondContact OE1-CE 3.43Å; E549-K553 IonicContact OE1-NZ 2.71Å; E549-K553 PolarHBondContact OE1-NZ 3.21Å; E549-K553 IonicContact OE2-NZ 3.71Å |
| 550 | A | 87.8 | Confident | 85.3 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.3 | -31.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T548 Q554 | T548-A550 PolarHBondContact O-N 2.81Å; T548-A550 PolarHBondContact OG1-N 2.91Å; A550-Q554 WeakPolarHBondContact O-CG 3.46Å; A550-Q554 PolarHBondContact O-NE2 3.2Å |
| 551 | D | 88.5 | Confident | 85.1 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.6 | -46.4 | 174.5 | -55.6 | -48.7 | 0 | 0 | 0 | 110.4 | L547 T548 K553 Q554 L555 | L547-D551 HydrophobicContact CB-CB 4.25Å; T548-D551 VanDerWaalsContact CB-OD2 3.28Å; T548-D551 WeakPolarHBondContact CB-OD2 3.41Å; T548-D551 WeakPolarHBondContact CG2-OD2 3.44Å; T548-D551 PolarHBondContact N-OD2 3.24Å; T548-D551 WeakPolarHBondContact O-CB 3.26Å; T548-D551 PolarHBondContact O-N 3.38Å; T548-D551 PolarHBondContact OG1-N 3.48Å; T548-D551 PolarHBondContact OG1-OD2 3.16Å; D551-K553 VanDerWaalsContact C-N 3.27Å; D551-K553 PolarHBondContact O-N 3.04Å; D551-Q554 WeakPolarHBondContact O-CB 3.3Å; D551-Q554 PolarHBondContact O-N 2.94Å; D551-L555 PolarHBondContact O-N 3Å |
| 552 | M | 86.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 63 Ų | 63 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.6 | -42.2 | 176.8 | -72.7 | -162.8 | -76.6 | 0 | 0 | 112.4 | L547 T548 E549 Q554 L555 I560 G660 | L547-M552 HydrophobicContact CB-CG 4.16Å; T548-M552 PolarHBondContact O-N 2.9Å; E549-M552 HydrophobicContact CB-CE 4.49Å; E549-M552 HydrophobicContact CG-CE 4.36Å; M552-Q554 PolarHBondContact O-N 3Å; M552-L555 PolarHBondContact O-N 3.26Å; M552-I560 HydrophobicContact CB-CD1 4.33Å; M552-G660 WeakPolarHBondContact SD-CA 3.45Å; M552-G660 PolarHBondContact SD-N 3.47Å |
| 553 | K | 85.3 | Confident | 82.1 | Confident | 146 Ų | 146 | 63.2 Ų | 63.2 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.7 | 177.6 | -73.5 | 167.5 | -173 | 169 | 0 | 114.2 | E549 D551 | E549-K553 VanDerWaalsContact O-CD 3.32Å; E549-K553 WeakPolarHBondContact O-CD 3.39Å; E549-K553 VanDerWaalsContact O-CG 3.23Å; E549-K553 WeakPolarHBondContact O-CG 3.44Å; E549-K553 PolarHBondContact O-N 3.4Å; E549-K553 WeakPolarHBondContact OE1-CE 3.43Å; E549-K553 IonicContact OE1-NZ 2.71Å; E549-K553 PolarHBondContact OE1-NZ 3.21Å; E549-K553 IonicContact OE2-NZ 3.71Å; D551-K553 VanDerWaalsContact C-N 3.27Å; D551-K553 PolarHBondContact O-N 3.04Å |
| 554 | Q | 84.9 | Confident | 79.9 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -5.4 | 177.8 | -69.2 | 176.9 | 83.8 | 0 | 0 | 113.6 | A550 D551 M552 | A550-Q554 WeakPolarHBondContact O-CG 3.46Å; A550-Q554 PolarHBondContact O-NE2 3.2Å; D551-Q554 WeakPolarHBondContact O-CB 3.3Å; D551-Q554 PolarHBondContact O-N 2.94Å; M552-Q554 PolarHBondContact O-N 3Å |
| 555 | L | 83.2 | Confident | 77.6 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -94 | 144.4 | 178.3 | -64.3 | 177.8 | 0 | 0 | 0 | 111.2 | L547 D551 M552 S557 V656 L690 Q691 L694 | L547-L555 HydrophobicContact CD1-CD1 3.67Å; D551-L555 PolarHBondContact O-N 3Å; M552-L555 PolarHBondContact O-N 3.26Å; L555-S557 PolarHBondContact O-N 2.83Å; L555-V656 HydrophobicContact CD1-CG2 4.09Å; L555-L690 HydrophobicContact CD1-CD2 3.81Å; L555-L690 HydrophobicContact CD1-CG 4.4Å; L555-L690 HydrophobicContact CD2-CG 4.29Å; L555-Q691 HydrophobicContact CD2-CB 4.36Å; L555-L694 HydrophobicContact CD2-CD1 3.73Å |
| 556 | P | 81.9 | Confident | 74.8 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | trans | -54.9 | 125.4 | 169.5 | -26 | 33.3 | 0 | 0 | 0 | 111.6 | E558 L559 | P556-E558 PolarHBondContact O-N 3.1Å; P556-L559 HydrophobicContact CB-CD1 4.16Å; P556-L559 HydrophobicContact CB-CG 4.33Å; P556-L559 HydrophobicContact CG-CD1 4.16Å; P556-L559 WeakPolarHBondContact O-CB 3.48Å; P556-L559 WeakPolarHBondContact O-CG 3.36Å; P556-L559 PolarHBondContact O-N 2.92Å | ||
| 557 | S | 78.1 | Confident | 72.2 | Confident | 102 Ų | 102 | 86 Ų | 86 | 71% | 0.713 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60.7 | -18.7 | -173.8 | -43.5 | 0 | 0 | 0 | 0 | 114.4 | L555 L559 I560 | L555-S557 PolarHBondContact O-N 2.83Å; S557-L559 PolarHBondContact O-N 3.39Å; S557-I560 PolarHBondContact O-N 3Å |
| 558 | E | 80.6 | Confident | 69.4 | Low | 81 Ų | 81 | 94.5 Ų | 94.5 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -61.4 | -21 | 172.3 | -66.4 | 169 | -143.8 | 0 | 0 | 113.4 | P556 R649 | P556-E558 PolarHBondContact O-N 3.1Å; E558-R649 VanDerWaalsContact CD-CZ 3.43Å; E558-R649 VanDerWaalsContact CG-NH2 3.34Å; E558-R649 IonicContact OE1-CZ 3.2Å; E558-R649 IonicContact OE1-NE 2.92Å; E558-R649 PolarHBondContact OE1-NE 3.15Å; E558-R649 IonicContact OE1-NH2 2.69Å; E558-R649 PolarHBondContact OE1-NH2 2.97Å; E558-R649 IonicContact OE2-CZ 3.69Å; E558-R649 IonicContact OE2-NE 2.99Å; E558-R649 PolarHBondContact OE2-NE 3.2Å; E558-R649 IonicContact OE2-NH2 3.79Å |
| 559 | L | 82 | Confident | 66.5 | Low | 9 Ų | 9 | 95.3 Ų | 95.3 | 5% | 0.047 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -93.7 | -10.9 | -179 | -53.5 | 174.3 | 0 | 0 | 0 | 112.8 | P556 S557 C652 P654 R655 V656 L694 | P556-L559 HydrophobicContact CB-CD1 4.16Å; P556-L559 HydrophobicContact CB-CG 4.33Å; P556-L559 HydrophobicContact CG-CD1 4.16Å; P556-L559 WeakPolarHBondContact O-CB 3.48Å; P556-L559 WeakPolarHBondContact O-CG 3.36Å; P556-L559 PolarHBondContact O-N 2.92Å; S557-L559 PolarHBondContact O-N 3.39Å; L559-C652 HydrophobicContact CD2-CB 3.56Å; L559-C652 WeakPolarHBondContact CD2-SG 3.39Å; L559-P654 CarbonylContact O-C 3.56Å; L559-R655 HydrophobicContact CD2-CG 4.47Å; L559-R655 PolarHBondContact O-N 2.64Å; L559-V656 PolarHBondContact O-N 2.92Å; L559-L694 HydrophobicContact CD1-CD1 3.32Å; L559-L694 HydrophobicContact CD1-CD2 3.59Å; L559-L694 HydrophobicContact CD1-CG 3.98Å; L559-L694 HydrophobicContact CD2-CD2 4.27Å |
| 560 | I | 80.8 | Confident | 64 | Low | 40 Ų | 40 | 94.9 Ų | 94.9 | 21% | 0.205 | 51% | 0.514 | C | S | . | . | B | Isolated β-bridge | trans | -96.3 | 131.4 | 177.4 | -55.3 | 177.4 | 0 | 0 | 0 | 107.5 | M552 S557 G562 V656 | M552-I560 HydrophobicContact CB-CD1 4.33Å; S557-I560 PolarHBondContact O-N 3Å; I560-G562 PolarHBondContact O-N 3.13Å; I560-G562 VanDerWaalsContact O-N 3.07Å; I560-V656 CarbonylContact C-O 3.58Å; I560-V656 WeakPolarHBondContact CA-O 3.29Å; I560-V656 HydrophobicContact CG1-CB 4.29Å |
| 561 | Y | 78.6 | Confident | 61.6 | Low | 127 Ų | 127 | 98.7 Ų | 98.7 | 50% | 0.498 | 53% | 0.527 | S | S | . | . | trans | -64.8 | 110.5 | 177.4 | -172.4 | -85.7 | 0 | 0 | 0 | 109.4 | S563 P654 V656 S658 | Y561-S563 PolarHBondContact O-N 3.29Å; Y561-P654 HydrophobicContact CD2-CB 4.3Å; Y561-V656 PolarHBondContact N-O 3.03Å; Y561-S658 VanDerWaalsContact O-CB 3.3Å; Y561-S658 WeakPolarHBondContact O-CB 3.19Å | ||
| 562 | G | 60.2 | Low | 59.3 | Low | 44 Ų | 44 | 103.6 Ų | 103.6 | 45% | 0.454 | 56% | 0.558 | S | S | . | * | trans | -72.5 | 120.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I560 T564 | I560-G562 PolarHBondContact O-N 3.13Å; I560-G562 VanDerWaalsContact O-N 3.07Å; G562-T564 PolarHBondContact O-N 3.47Å | ||
| 563 | S | 49.8 | Very low | 57.2 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 58% | 0.58 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -69.5 | 34.1 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 114 | Y561 S658 | Y561-S563 PolarHBondContact O-N 3.29Å; S563-S658 WeakPolarHBondContact OG-CB 3.46Å; S563-S658 PolarHBondContact OG-OG 2.86Å |
| 564 | T | 40 | Very low | 54.9 | Low | 123 Ų | 123 | 106.9 Ų | 106.9 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | trans | -130.6 | 59.7 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 110 | G562 | G562-T564 PolarHBondContact O-N 3.47Š| ||
| 565 | N | 36.6 | Very low | 52.9 | Low | 133 Ų | 133 | 109.6 Ų | 109.6 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | trans | -152.9 | 50.5 | 168.3 | -101.8 | -16.2 | 0 | 0 | 0 | 109.3 | ||||
| 566 | E | 32.3 | Very low | 50.9 | Low | 188 Ų | 188 | 114.8 Ų | 114.8 | 88% | 0.879 | 64% | 0.642 | S | S | * | * | trans | -65.4 | 138.1 | 159.4 | -69.8 | -164.4 | 106.9 | 0 | 0 | 108.9 | Q568 | E566-Q568 PolarHBondContact O-N 2.8Š| ||
| 567 | Y | 33.8 | Very low | 49 | Very low | 201 Ų | 201 | 117.7 Ų | 117.7 | 79% | 0.788 | 65% | 0.653 | S | S | * | * | trans | -74.1 | 94 | -173 | -80.4 | -117.3 | 0 | 0 | 0 | 110.4 | S569 | Y567-S569 VanDerWaalsContact C-N 3.3Å; Y567-S569 PolarHBondContact O-N 3.39Å | ||
| 568 | Q | 32.5 | Very low | 47.4 | Very low | 191 Ų | 191 | 119.3 Ų | 119.3 | 89% | 0.893 | 66% | 0.659 | S | S | * | * | trans | -72.5 | 92.6 | 161.9 | -170.6 | 154.2 | 25.4 | 0 | 0 | 108.6 | E566 | E566-Q568 PolarHBondContact O-N 2.8Š| ||
| 569 | S | 28.3 | Very low | 45.6 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | trans | -57.1 | 125.2 | -177.9 | -168 | 0 | 0 | 0 | 0 | 111 | Y567 D571 | Y567-S569 VanDerWaalsContact C-N 3.3Å; Y567-S569 PolarHBondContact O-N 3.39Å; S569-D571 VanDerWaalsContact C-N 3.28Å; S569-D571 PolarHBondContact O-N 3.07Å | ||
| 570 | P | 32.5 | Very low | 43.7 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -83.1 | 69.7 | -177.8 | 35.1 | -35.8 | 0 | 0 | 0 | 111 | ||
| 571 | D | 36.8 | Very low | 41.7 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -162.3 | 105.3 | 164 | -102.8 | -34.1 | 0 | 0 | 0 | 112.9 | S569 | S569-D571 VanDerWaalsContact C-N 3.28Å; S569-D571 PolarHBondContact O-N 3.07Å | ||
| 572 | T | 40.5 | Very low | 39.7 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -174.7 | 104.1 | 140.8 | -73.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 573 | V | 42.2 | Very low | 38.5 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -87.5 | 115.2 | 169.7 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 574 | T | 37.6 | Very low | 38 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -148.7 | 136.1 | 157.5 | -71.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 575 | Q | 42.7 | Very low | 37.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -100.8 | 137.9 | -174.9 | -58.2 | 166.3 | 11.7 | 0 | 0 | 110 | ||||
| 576 | S | 40.5 | Very low | 37.8 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -144.3 | 142.4 | 150.6 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 577 | N | 42.6 | Very low | 37.8 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -104.5 | -170.9 | -163.7 | -68.3 | -60.3 | 0 | 0 | 0 | 112.2 | ||||
| 578 | T | 45.3 | Very low | 37.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | 99.4 | 142 | 163 | 77.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 579 | P | 41.9 | Very low | 37.9 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | -135.4 | 152.4 | -100.8 | 29.2 | -6.8 | 0 | 0 | 0 | 117.3 | |||||
| 580 | V | 42.2 | Very low | 38.3 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | 31.9 | 111.3 | 140 | -169.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 581 | T | 38.4 | Very low | 38.3 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | -148.7 | 154 | 129.6 | 16.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 582 | P | 37 | Very low | 38.1 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -106.9 | 143.5 | -148.5 | 37.8 | -34.6 | 0 | 0 | 0 | 117.5 | ||||
| 583 | V | 34 | Very low | 37.6 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 42.2 | 112.5 | 135.1 | -172.8 | 0 | 0 | 0 | 0 | 118.9 | R585 | V583-R585 HydrophobicContact CG1-CG 4.47Š| ||
| 584 | S | 39.9 | Very low | 37.3 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -138.9 | 158.4 | 144.5 | -166.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 585 | R | 34.6 | Very low | 37.1 | Very low | 225 Ų | 225 | 153.7 Ų | 153.7 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | trans | -116.1 | 99 | -159.5 | -64 | 176.1 | -127.9 | 172.9 | 1.4 | 113.6 | V583 | V583-R585 HydrophobicContact CG1-CG 4.47Š| ||
| 586 | R | 38.1 | Very low | 36.8 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -145.1 | 139.9 | 152.7 | -83.7 | 179.7 | 175.8 | 153.1 | -1.2 | 108 | ||||
| 587 | A | 33 | Very low | 36.2 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -123.5 | 133 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 588 | R | 34.7 | Very low | 35.5 | Very low | 252 Ų | 252 | 148.1 Ų | 148.1 | 95% | 0.951 | 81% | 0.806 | S | S | * | * | trans | -134.6 | 113.7 | 155.3 | -70.7 | -172.8 | -177.6 | -165.8 | 1.1 | 106.5 | ||||
| 589 | S | 32.6 | Very low | 35 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | 172.5 | 61.8 | 158.9 | -177 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 590 | I | 37.3 | Very low | 34.5 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 94% | 0.938 | 81% | 0.805 | S | S | * | * | trans | -131.6 | 62.5 | 153.8 | -49.3 | -178.6 | 0 | 0 | 0 | 107.9 | ||||
| 591 | E | 33.4 | Very low | 34 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | trans | -143.5 | 142.3 | 168.5 | -155.6 | -150.4 | 135.5 | 0 | 0 | 107.3 | ||||
| 592 | K | 30.9 | Very low | 33.7 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 72.3 | 46.8 | 175.9 | -54.6 | -176.6 | 173.8 | 79.2 | 0 | 118 | ||
| 593 | A | 31 | Very low | 33.7 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -136.1 | 145.7 | 130.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 594 | I | 36.6 | Very low | 33.9 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | cis | -132.5 | 131.9 | 23.5 | -69.1 | 164.2 | 0 | 0 | 0 | 110.1 | S596 | I594-S596 WeakPolarHBondContact CG2-O 3.39Š| ||
| 595 | R | 33.2 | Very low | 33.8 | Very low | 260 Ų | 260 | 145.1 Ų | 145.1 | 98% | 0.981 | 75% | 0.748 | S | S | * | * | trans | -118.2 | 51.6 | 173.8 | -114.7 | -171.2 | -178 | 178.9 | 0.5 | 111.5 | ||||
| 596 | S | 35.2 | Very low | 33.9 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -174.2 | 116.2 | 175.2 | 48.7 | 0 | 0 | 0 | 0 | 106.7 | I594 | I594-S596 WeakPolarHBondContact CG2-O 3.39Š| ||
| 597 | G | 29.1 | Very low | 33.9 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | 86.8 | 110.9 | 58.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 598 | V | 28 | Very low | 33.9 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 74.4 | 123.8 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 599 | I | 33.5 | Very low | 34.1 | Very low | 166 Ų | 166 | 126 Ų | 126 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | -175.8 | 156 | 129.3 | -91.5 | 157.5 | 0 | 0 | 0 | 107.9 | |||||
| 600 | T | 31.7 | Very low | 34.8 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -138.9 | 167.2 | -157.7 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 601 | S | 32.7 | Very low | 34.6 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 53% | 0.531 | 74% | 0.743 | S | S | . | * | trans | 78.7 | 128.7 | 167 | -41.9 | 0 | 0 | 0 | 0 | 116.3 | N213 | N213-S601 PolarHBondContact ND2-O 3.43Š| ||
| 602 | T | 32 | Very low | 34.8 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 40% | 0.399 | 75% | 0.753 | S | S | . | * | cis | 67.9 | 144.3 | 36.7 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | N213 G214 L215 | N213-T602 CarbonylContact C-O 3.56Å; N213-T602 WeakPolarHBondContact CA-O 3.25Å; N213-T602 WeakPolarHBondContact CB-O 3.48Å; N213-T602 VanDerWaalsContact OD1-C 3.24Å; N213-T602 PolarHBondContact OD1-O 3.46Å; N213-T602 VanDerWaalsContact OD1-O 3.07Å; G214-T602 PolarHBondContact N-O 3.21Å; L215-T602 HydrophobicContact CD1-CG2 4.23Å | ||
| 603 | T | 37.1 | Very low | 35 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 42% | 0.417 | 76% | 0.756 | S | S | . | * | cis | -177.3 | -159.7 | -8.8 | -83.8 | 0 | 0 | 0 | 0 | 108.6 | N213 G214 L215 | N213-T603 CarbonylContact C-O 3.25Å; N213-T603 VanDerWaalsContact C-O 3.23Å; N213-T603 PolarHBondContact N-O 2.94Å; G214-T603 PolarHBondContact N-O 2.99Å; G214-T603 CarbonylContact O-C 3.46Å; G214-T603 VanDerWaalsContact O-CA 3.28Å; G214-T603 WeakPolarHBondContact O-CA 3.23Å; G214-T603 VanDerWaalsContact O-CB 3.23Å; G214-T603 WeakPolarHBondContact O-CB 3.06Å; G214-T603 PolarHBondContact O-N 3.24Å; L215-T603 HydrophobicContact CG-CG2 4.11Å | ||
| 604 | T | 37.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | trans | 95 | 96.3 | 164.1 | 45.4 | 0 | 0 | 0 | 0 | 125.2 | G214 | G214-T604 PolarHBondContact O-OG1 3.41Š| ||
| 605 | R | 36.8 | Very low | 35.3 | Very low | 234 Ų | 234 | 127.1 Ų | 127.1 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | 24.1 | 139.3 | 126 | -64.3 | 177.6 | 166.7 | -117.4 | -1.8 | 120.7 | |||||
| 606 | S | 37.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | -175 | 142 | 70.9 | -64.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 607 | A | 38.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -166.4 | 143 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 608 | A | 33 | Very low | 35.9 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 88% | 0.884 | 76% | 0.76 | S | S | * | * | trans | -150.6 | 112.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 609 | A | 39 | Very low | 36 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | -164.2 | 165.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 610 | Q | 45.9 | Very low | 36.2 | Very low | 197 Ų | 197 | 118.8 Ų | 118.8 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | 63.5 | 96.6 | 175.7 | -51.4 | -171 | 14.9 | 0 | 0 | 114.5 | ||||
| 611 | G | 33.2 | Very low | 36.2 | Very low | 86 Ų | 86 | 119 Ų | 119 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | trans | -88.2 | 145.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 612 | R | 38.8 | Very low | 36.2 | Very low | 231 Ų | 231 | 123.7 Ų | 123.7 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -142 | 128.2 | 158.9 | -157 | 174.2 | -168.4 | 177.5 | 3.3 | 108 | T614 | R612-T614 PolarHBondContact O-N 2.98Š| ||
| 613 | P | 34.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -78.9 | 121.5 | -175.5 | 30 | -33.1 | 0 | 0 | 0 | 111 | ||||
| 614 | T | 37.7 | Very low | 36.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -134.1 | 112.8 | 162.8 | -42.5 | 0 | 0 | 0 | 0 | 106.3 | R612 | R612-T614 PolarHBondContact O-N 2.98Š| ||
| 615 | A | 35.5 | Very low | 36.1 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -81.2 | 143.3 | -158 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 616 | A | 36.8 | Very low | 35.8 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 52.9 | 108.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 617 | N | 33.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 38.5 | 102 | 61.7 | -58 | -28.9 | 0 | 0 | 0 | 112.2 | |||||
| 618 | T | 39.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | 176.3 | 158.9 | 86.9 | 36.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 619 | G | 30.1 | Very low | 35.7 | Very low | 41 Ų | 41 | 128.3 Ų | 128.3 | 42% | 0.423 | 75% | 0.748 | S | S | . | * | cis | 179.6 | 129.2 | -9.8 | 0 | 0 | 0 | 0 | 0 | 108 | F389 | F389-G619 WeakPolarHBondContact CE1-O 3.28Å; F389-G619 VanDerWaalsContact CE2-O 3.29Å; F389-G619 WeakPolarHBondContact CE2-O 3.47Å; F389-G619 WeakPolarHBondContact CZ-O 3.31Å | ||
| 620 | V | 37.4 | Very low | 35.6 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -100.5 | 99.8 | -169 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | R622 | V620-R622 PolarHBondContact O-N 3.44Š| ||
| 621 | L | 32 | Very low | 35.1 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 62% | 0.618 | 74% | 0.738 | S | S | * | * | trans | -80.1 | 95.4 | 167 | -77.8 | 177.2 | 0 | 0 | 0 | 110.4 | F389 L623 | F389-L621 HydrophobicContact CE2-CB 3.99Å; F389-L621 HydrophobicContact CE2-CD1 3.61Å; F389-L621 HydrophobicContact CE2-CG 3.6Å; F389-L621 HydrophobicContact CZ-CD1 4.14Å; F389-L621 HydrophobicContact CZ-CG 3.9Å; L621-L623 PolarHBondContact O-N 3.36Å | ||
| 622 | R | 34 | Very low | 35.4 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | trans | -74.3 | 114.2 | 174.7 | -162 | 172 | -171.5 | 161.9 | -0.4 | 109.7 | V620 V624 D688 | V620-R622 PolarHBondContact O-N 3.44Å; R622-V624 PolarHBondContact O-N 2.78Å; R622-D688 IonicContact CZ-OD2 2.62Å; R622-D688 IonicContact NE-OD2 3.16Å; R622-D688 VanDerWaalsContact NH2-CG 3.34Å; R622-D688 IonicContact NH2-OD1 3.53Å; R622-D688 PolarHBondContact NH2-OD1 2.85Å; R622-D688 VanDerWaalsContact NH2-OD1 3.16Å; R622-D688 IonicContact NH2-OD2 3.62Å; R622-D688 PolarHBondContact NH2-OD2 2.96Å | ||
| 623 | L | 32.8 | Very low | 35.1 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | trans | -74.4 | 93.7 | -179.3 | -161.9 | 93.1 | 0 | 0 | 0 | 110.7 | L621 I625 | L621-L623 PolarHBondContact O-N 3.36Å; L623-I625 HydrophobicContact CD2-CG1 4.23Å; L623-I625 PolarHBondContact O-N 2.92Å | ||
| 624 | V | 32.6 | Very low | 35.4 | Very low | 121 Ų | 121 | 123 Ų | 123 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -72.7 | 90.2 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | R622 K626 | R622-V624 PolarHBondContact O-N 2.78Å; V624-K626 PolarHBondContact O-N 2.77Å; V624-K626 VanDerWaalsContact O-N 3.07Å | ||
| 625 | I | 38.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | trans | -64.5 | 108.9 | 163.4 | -59.9 | -179.8 | 0 | 0 | 0 | 106.9 | L623 A627 | L623-I625 HydrophobicContact CD2-CG1 4.23Å; L623-I625 PolarHBondContact O-N 2.92Å; I625-A627 PolarHBondContact O-N 3.26Å | ||
| 626 | K | 31.3 | Very low | 35.6 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -66.2 | 96.9 | -178.9 | -175.3 | 83.8 | 176.6 | -174.2 | 0 | 109.4 | V624 S628 | V624-K626 PolarHBondContact O-N 2.77Å; V624-K626 VanDerWaalsContact O-N 3.07Å; K626-S628 PolarHBondContact O-N 2.91Å; K626-S628 VanDerWaalsContact O-N 3.1Å | ||
| 627 | A | 33.1 | Very low | 35.7 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 51% | 0.512 | 71% | 0.714 | S | S | . | * | trans | -50.9 | 119.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I625 N629 | I625-A627 PolarHBondContact O-N 3.26Å; A627-N629 PolarHBondContact O-N 3.29Å | ||
| 628 | S | 39 | Very low | 36.1 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | trans | -81.2 | 96.4 | 179.2 | 38.4 | 0 | 0 | 0 | 0 | 108.8 | K626 S630 | K626-S628 PolarHBondContact O-N 2.91Å; K626-S628 VanDerWaalsContact O-N 3.1Å; S628-S630 PolarHBondContact O-N 2.84Å | ||
| 629 | N | 35.6 | Very low | 36.1 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -55.9 | 99.7 | 169.7 | -74.3 | 4.1 | 0 | 0 | 0 | 109.1 | A627 M631 | A627-N629 PolarHBondContact O-N 3.29Å; N629-M631 VanDerWaalsContact C-N 3.33Å; N629-M631 PolarHBondContact O-N 3.44Å | ||
| 630 | S | 36.6 | Very low | 36.6 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -70.1 | 92.1 | 173.8 | -169.2 | 0 | 0 | 0 | 0 | 108.3 | S628 I632 | S628-S630 PolarHBondContact O-N 2.84Å; S630-I632 PolarHBondContact O-N 3.05Å; S630-I632 VanDerWaalsContact O-N 3.16Å | ||
| 631 | M | 34.4 | Very low | 36.8 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | -64.2 | 115.1 | 173 | -72.8 | -176 | 63.6 | 0 | 0 | 108.6 | N629 N633 | N629-M631 VanDerWaalsContact C-N 3.33Å; N629-M631 PolarHBondContact O-N 3.44Å; M631-N633 PolarHBondContact O-N 2.57Å | ||
| 632 | I | 39.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -73.4 | 80.2 | 174.8 | -53.5 | 176.5 | 0 | 0 | 0 | 107.9 | S630 S634 | S630-I632 PolarHBondContact O-N 3.05Å; S630-I632 VanDerWaalsContact O-N 3.16Å; I632-S634 PolarHBondContact O-N 3.15Å | ||
| 633 | N | 33.6 | Very low | 37.3 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | -75 | 69.2 | 166.3 | -80.4 | 19.8 | 0 | 0 | 0 | 109.1 | M631 D635 | M631-N633 PolarHBondContact O-N 2.57Å; N633-D635 PolarHBondContact O-N 2.77Å; N633-D635 VanDerWaalsContact O-N 3.11Å | ||
| 634 | S | 38.9 | Very low | 37.2 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -81.8 | 72.3 | 168.3 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | I632 H636 | I632-S634 PolarHBondContact O-N 3.15Å; S634-H636 VanDerWaalsContact C-N 3.33Å; S634-H636 PolarHBondContact O-N 2.97Å | ||
| 635 | D | 34.8 | Very low | 37.9 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -67.2 | 91.1 | 168.3 | -85.5 | -45.3 | 0 | 0 | 0 | 109.6 | N633 | N633-D635 PolarHBondContact O-N 2.77Å; N633-D635 VanDerWaalsContact O-N 3.11Å | ||
| 636 | H | 42.4 | Very low | 38.2 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | trans | -135.3 | 107.1 | 161.7 | -101.2 | -72.6 | 0 | 0 | 0 | 110.8 | S634 | S634-H636 VanDerWaalsContact C-N 3.33Å; S634-H636 PolarHBondContact O-N 2.97Å | ||
| 637 | S | 39.2 | Very low | 38.5 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -83.3 | 143.1 | 176.4 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 638 | L | 42.1 | Very low | 38.8 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | 65.8 | 138 | 175 | -71.5 | 69.5 | 0 | 0 | 0 | 114.3 | ||||
| 639 | T | 39.7 | Very low | 38.8 | Very low | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | cis | -134.2 | 168.6 | 10.9 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | N641 | T639-N641 PolarHBondContact O-N 3.13Š| ||
| 640 | K | 40.9 | Very low | 39.4 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -72.5 | 122.4 | 174.7 | -61.9 | 171.3 | -179.5 | 174.8 | 0 | 111 | ||||
| 641 | N | 42.8 | Very low | 40.2 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -172.8 | 139.3 | 134.4 | -88.9 | -24.3 | 0 | 0 | 0 | 108.7 | T639 | T639-N641 PolarHBondContact O-N 3.13Š| ||
| 642 | S | 37.3 | Very low | 41.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -83 | 155.3 | -174.1 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 643 | P | 37.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | -126.8 | 138.4 | 85.7 | 36.6 | -30.4 | 0 | 0 | 0 | 115.3 | L645 | P643-L645 PolarHBondContact O-N 2.94Š| |||
| 644 | D | 32.3 | Very low | 45.7 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 44% | 0.439 | 70% | 0.699 | S | S | . | * | trans | 20.4 | 87.5 | 155.1 | -167.7 | 21 | 0 | 0 | 0 | 119.4 | S646 | D644-S646 PolarHBondContact O-N 3.18Å; D644-S646 VanDerWaalsContact O-N 3.13Å; D644-S646 WeakPolarHBondContact OD1-CB 3.14Å; D644-S646 PolarHBondContact OD1-N 3.24Å; D644-S646 VanDerWaalsContact OD1-N 3.14Å; D644-S646 PolarHBondContact OD1-OG 2.85Å | ||
| 645 | L | 47.4 | Very low | 48.1 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -68.3 | -5.4 | 173.2 | -166.4 | 58.8 | 0 | 0 | 0 | 113.6 | P643 K647 | P643-L645 PolarHBondContact O-N 2.94Å; L645-K647 PolarHBondContact O-N 3.38Å |
| 646 | S | 43.2 | Very low | 50.6 | Low | 91 Ų | 91 | 118.3 Ų | 118.3 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -69.9 | -17.8 | 179.3 | -36.3 | 0 | 0 | 0 | 0 | 113.5 | D644 | D644-S646 PolarHBondContact O-N 3.18Å; D644-S646 VanDerWaalsContact O-N 3.13Å; D644-S646 WeakPolarHBondContact OD1-CB 3.14Å; D644-S646 PolarHBondContact OD1-N 3.24Å; D644-S646 VanDerWaalsContact OD1-N 3.14Å; D644-S646 PolarHBondContact OD1-OG 2.85Å |
| 647 | K | 38.5 | Very low | 52.7 | Low | 179 Ų | 179 | 110 Ų | 110 | 78% | 0.778 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -90.6 | 0.3 | -172.8 | -92 | 174.2 | 176.2 | 168.6 | 0 | 116 | L645 R649 | L645-K647 PolarHBondContact O-N 3.38Å; K647-R649 PolarHBondContact O-N 3.45Å |
| 648 | V | 39.2 | Very low | 54.8 | Low | 122 Ų | 122 | 108.5 Ų | 108.5 | 74% | 0.739 | 59% | 0.589 | S | S | * | * | trans | -93.3 | 34 | 163.7 | -158.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 649 | R | 38.5 | Very low | 56.9 | Low | 171 Ų | 171 | 104.4 Ų | 104.4 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -70.5 | 126.7 | 163.6 | -170.4 | -177.9 | -168.8 | -176.3 | 7.1 | 107.5 | E558 K647 S651 | E558-R649 VanDerWaalsContact CD-CZ 3.43Å; E558-R649 VanDerWaalsContact CG-NH2 3.34Å; E558-R649 IonicContact OE1-CZ 3.2Å; E558-R649 IonicContact OE1-NE 2.92Å; E558-R649 PolarHBondContact OE1-NE 3.15Å; E558-R649 IonicContact OE1-NH2 2.69Å; E558-R649 PolarHBondContact OE1-NH2 2.97Å; E558-R649 IonicContact OE2-CZ 3.69Å; E558-R649 IonicContact OE2-NE 2.99Å; E558-R649 PolarHBondContact OE2-NE 3.2Å; E558-R649 IonicContact OE2-NH2 3.79Å; K647-R649 PolarHBondContact O-N 3.45Å; R649-S651 PolarHBondContact O-N 3.31Å |
| 650 | N | 48.3 | Very low | 59.1 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | trans | -51 | 122.7 | -175.9 | -68.4 | -30.6 | 0 | 0 | 0 | 110.9 | C652 | N650-C652 PolarHBondContact O-N 2.78Š| ||
| 651 | S | 53.4 | Low | 61.4 | Low | 127 Ų | 127 | 90.1 Ų | 90.1 | 89% | 0.888 | 50% | 0.495 | S | S | * | . | trans | -75.2 | 53.2 | 175.7 | -177 | 0 | 0 | 0 | 0 | 111.3 | R649 R653 | R649-S651 PolarHBondContact O-N 3.31Å; S651-R653 PolarHBondContact O-N 2.96Å | ||
| 652 | C | 62.8 | Low | 63.7 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 19% | 0.189 | 45% | 0.453 | C | S | . | . | trans | -82.6 | 114.8 | 176.9 | -134.1 | 0 | 0 | 0 | 0 | 108.4 | L559 N650 R655 | L559-C652 HydrophobicContact CD2-CB 3.56Å; L559-C652 WeakPolarHBondContact CD2-SG 3.39Å; N650-C652 PolarHBondContact O-N 2.78Å; C652-R655 PolarHBondContact SG-NE 3.28Å; C652-R655 VanDerWaalsContact SG-NE 3.44Å | ||
| 653 | R | 77.9 | Confident | 66.3 | Low | 168 Ų | 168 | 79.5 Ų | 79.5 | 63% | 0.634 | 43% | 0.426 | S | S | * | . | trans | -62.3 | 150.4 | 169.4 | -64.8 | 174.1 | -179.4 | -108.2 | 1.3 | 109.2 | I525 S651 R655 | I525-R653 HydrophobicContact CD1-CB 3.69Å; S651-R653 PolarHBondContact O-N 2.96Å; R653-R655 VanDerWaalsContact O-CG 3.23Å; R653-R655 WeakPolarHBondContact O-CG 3.47Å; R653-R655 PolarHBondContact O-N 2.78Å | ||
| 654 | P | 83 | Confident | 68.8 | Low | 62 Ų | 62 | 73.6 Ų | 73.6 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | trans | -53.1 | 129.6 | 169.9 | -26.2 | 35.4 | 0 | 0 | 0 | 111 | I525 L559 Y561 | I525-P654 WeakPolarHBondContact CD1-O 3.41Å; L559-P654 CarbonylContact O-C 3.56Å; Y561-P654 HydrophobicContact CD2-CB 4.3Å | ||
| 655 | R | 88.4 | Confident | 71.6 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | trans | -115 | -13.2 | -174.2 | -60.8 | -159.7 | -176.5 | -172.2 | -6.2 | 113.4 | I525 A527 F528 L559 C652 R653 P704 | I525-R655 HydrophobicContact CD1-CG 4.06Å; A527-R655 HydrophobicContact CB-CB 4.15Å; A527-R655 WeakPolarHBondContact O-CD 3.42Å; A527-R655 PolarHBondContact O-NH1 2.89Å; F528-R655 PolarHBondContact O-NH1 2.91Å; L559-R655 HydrophobicContact CD2-CG 4.47Å; L559-R655 PolarHBondContact O-N 2.64Å; C652-R655 PolarHBondContact SG-NE 3.28Å; C652-R655 VanDerWaalsContact SG-NE 3.44Å; R653-R655 VanDerWaalsContact O-CG 3.23Å; R653-R655 WeakPolarHBondContact O-CG 3.47Å; R653-R655 PolarHBondContact O-N 2.78Å; R655-P704 PolarHBondContact NH2-O 3.29Å | ||
| 656 | V | 88.6 | Confident | 73.4 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -125.1 | 133.6 | -176.5 | -173.6 | 0 | 0 | 0 | 0 | 107.4 | L547 L555 L559 I560 Y561 E661 V662 L690 | L547-V656 HydrophobicContact CD1-CG1 3.82Å; L547-V656 HydrophobicContact CD1-CG2 4.06Å; L555-V656 HydrophobicContact CD1-CG2 4.09Å; L559-V656 PolarHBondContact O-N 2.92Å; I560-V656 CarbonylContact C-O 3.58Å; I560-V656 WeakPolarHBondContact CA-O 3.29Å; I560-V656 HydrophobicContact CG1-CB 4.29Å; Y561-V656 PolarHBondContact N-O 3.03Å; V656-E661 CarbonylContact C-O 3.47Å; V656-E661 WeakPolarHBondContact CA-O 3.3Å; V656-V662 HydrophobicContact CB-CG1 4.12Å; V656-V662 HydrophobicContact CG1-CG1 3.98Å; V656-V662 HydrophobicContact CG2-CG1 3.78Å; V656-L690 HydrophobicContact CG2-CD2 4.14Å |
| 657 | G | 86.2 | Confident | 75.7 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | trans | -65.7 | 160.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N659 G660 E661 | G657-N659 WeakPolarHBondContact CA-OD1 3.28Å; G657-N659 PolarHBondContact O-N 2.99Å; G657-G660 PolarHBondContact O-N 3.31Å; G657-E661 PolarHBondContact N-O 3.26Å | ||
| 658 | S | 83.4 | Confident | 78.2 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 47% | 0.469 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.2 | 176.5 | 52.3 | 0 | 0 | 0 | 0 | 114 | Y561 S563 | Y561-S658 VanDerWaalsContact O-CB 3.3Å; Y561-S658 WeakPolarHBondContact O-CB 3.19Å; S563-S658 WeakPolarHBondContact OG-CB 3.46Å; S563-S658 PolarHBondContact OG-OG 2.86Å |
| 659 | N | 84.8 | Confident | 80.7 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -0.4 | 178 | 58.5 | -7.3 | 0 | 0 | 0 | 114 | W546 G657 E661 | W546-N659 HydrophobicContact CZ3-CB 4.03Å; W546-N659 WeakPolarHBondContact CZ3-ND2 3.42Å; G657-N659 WeakPolarHBondContact CA-OD1 3.28Å; G657-N659 PolarHBondContact O-N 2.99Å; N659-E661 PolarHBondContact ND2-OE2 3.19Å; N659-E661 WeakPolarHBondContact OD1-CB 3.37Å; N659-E661 PolarHBondContact OD1-N 3.01Å; N659-E661 VanDerWaalsContact OD1-N 3.08Å |
| 660 | G | 86.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 84.8 | 8.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L547 M552 G657 | L547-G660 PolarHBondContact N-O 3.41Å; M552-G660 WeakPolarHBondContact SD-CA 3.45Å; M552-G660 PolarHBondContact SD-N 3.47Å; G657-G660 PolarHBondContact O-N 3.31Å |
| 661 | E | 90 | Very high | 85.2 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.6 | 178.1 | -175.4 | 178.3 | 157.2 | 0 | 0 | 112 | W524 P544 Y545 W546 V656 G657 N659 W663 | W524-E661 VanDerWaalsContact CH2-OE1 3.24Å; W524-E661 WeakPolarHBondContact CH2-OE1 3.18Å; W524-E661 WeakPolarHBondContact CZ3-OE1 3.33Å; P544-E661 HydrophobicContact CB-CG 3.62Å; Y545-E661 CarbonylContact O-C 3.23Å; Y545-E661 WeakPolarHBondContact O-CA 3.45Å; W546-E661 HydrophobicContact CE3-CB 4.32Å; W546-E661 HydrophobicContact CH2-CB 4.16Å; W546-E661 HydrophobicContact CH2-CG 4.33Å; W546-E661 HydrophobicContact CZ3-CB 3.91Å; V656-E661 CarbonylContact C-O 3.47Å; V656-E661 WeakPolarHBondContact CA-O 3.3Å; G657-E661 PolarHBondContact N-O 3.26Å; N659-E661 PolarHBondContact ND2-OE2 3.19Å; N659-E661 WeakPolarHBondContact OD1-CB 3.37Å; N659-E661 PolarHBondContact OD1-N 3.01Å; N659-E661 VanDerWaalsContact OD1-N 3.08Å; E661-W663 PolarHBondContact OE1-NE1 3.41Å |
| 662 | V | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.2 | 177.6 | -75.3 | 0 | 0 | 0 | 0 | 111.9 | A527 Y545 L547 V656 F664 L686 L690 | A527-V662 HydrophobicContact CB-CB 4.21Å; A527-V662 HydrophobicContact CB-CG1 4.04Å; Y545-V662 PolarHBondContact N-O 3.2Å; Y545-V662 PolarHBondContact O-N 2.94Å; L547-V662 HydrophobicContact CD1-CG1 3.88Å; L547-V662 HydrophobicContact CD2-CG2 4.17Å; L547-V662 HydrophobicContact CG-CG1 4.07Å; L547-V662 HydrophobicContact CG-CG2 4.02Å; V656-V662 HydrophobicContact CB-CG1 4.12Å; V656-V662 HydrophobicContact CG1-CG1 3.98Å; V656-V662 HydrophobicContact CG2-CG1 3.78Å; V662-F664 HydrophobicContact CB-CE2 3.9Å; V662-F664 HydrophobicContact CB-CZ 3.98Å; V662-F664 HydrophobicContact CG2-CE2 3.6Å; V662-F664 HydrophobicContact CG2-CZ 3.86Å; V662-L686 HydrophobicContact CG2-CD1 4.33Å; V662-L690 HydrophobicContact CG1-CD2 4.34Å |
| 663 | W | 91.3 | Very high | 88.3 | Confident | 53 Ų | 53 | 30.9 Ų | 30.9 | 20% | 0.201 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146 | -178 | -70.1 | 77.9 | 0 | 0 | 0 | 109.7 | W524 C526 A527 L541 Y542 G543 P544 E661 | W524-W663 AromaticContact CD2-NE1 3.94Å; W524-W663 AromaticContact CE3-CD1 3.46Å; W524-W663 VanDerWaalsContact CE3-CD1 3.46Å; W524-W663 HydrophobicContact CE3-CG 4.23Å; W524-W663 AromaticContact CE3-NE1 3.43Å; W524-W663 AromaticContact CH2-NE1 3.95Å; W524-W663 AromaticContact CZ3-CD1 3.75Å; W524-W663 AromaticContact CZ3-NE1 3.43Å; C526-W663 CarbonylContact C-O 3.46Å; C526-W663 VanDerWaalsContact CA-O 3.31Å; C526-W663 WeakPolarHBondContact CA-O 3.47Å; A527-W663 PolarHBondContact N-O 3.07Å; L541-W663 HydrophobicContact CB-CB 4.31Å; L541-W663 HydrophobicContact CB-CE3 4.07Å; L541-W663 HydrophobicContact CD1-CB 4.4Å; Y542-W663 WeakPolarHBondContact O-CA 3.42Å; G543-W663 VanDerWaalsContact C-CH2 3.47Å; G543-W663 VanDerWaalsContact O-CH2 3.23Å; G543-W663 WeakPolarHBondContact O-CH2 3.25Å; G543-W663 VanDerWaalsContact O-CZ3 3.3Å; G543-W663 WeakPolarHBondContact O-CZ3 3.32Å; P544-W663 HydrophobicContact CB-CZ2 4.36Å; E661-W663 PolarHBondContact OE1-NE1 3.41Å |
| 664 | F | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.9 | -177.2 | -56.5 | -84.3 | 0 | 0 | 0 | 113 | A527 F528 L541 Y542 Y545 V662 V669 L686 | A527-F664 HydrophobicContact CB-CD1 4.15Å; A527-F664 HydrophobicContact CB-CE1 3.61Å; A527-F664 HydrophobicContact CB-CZ 4.05Å; F528-F664 HydrophobicContact CB-CD1 4.39Å; F528-F664 HydrophobicContact CD1-CD1 4.43Å; F528-F664 AromaticContact CD1-CE1 3.96Å; F528-F664 HydrophobicContact CD1-CE1 3.96Å; F528-F664 AromaticContact CD2-CD1 3.19Å; F528-F664 HydrophobicContact CD2-CD1 3.19Å; F528-F664 AromaticContact CD2-CE1 3.46Å; F528-F664 HydrophobicContact CD2-CE1 3.46Å; F528-F664 VanDerWaalsContact CD2-CE1 3.46Å; F528-F664 HydrophobicContact CD2-CG 4.19Å; F528-F664 AromaticContact CE1-CE1 3.9Å; F528-F664 HydrophobicContact CE1-CE1 3.9Å; F528-F664 AromaticContact CE2-CD1 3.39Å; F528-F664 HydrophobicContact CE2-CD1 3.39Å; F528-F664 AromaticContact CE2-CE1 3.35Å; F528-F664 HydrophobicContact CE2-CE1 3.35Å; F528-F664 HydrophobicContact CE2-CG 4.21Å; F528-F664 HydrophobicContact CE2-CZ 4.18Å; F528-F664 AromaticContact CG-CD1 3.76Å; F528-F664 HydrophobicContact CG-CD1 3.76Å; F528-F664 AromaticContact CG-CE1 3.76Å; F528-F664 HydrophobicContact CG-CE1 3.76Å; F528-F664 HydrophobicContact CZ-CD1 4.14Å; F528-F664 AromaticContact CZ-CE1 3.6Å; F528-F664 HydrophobicContact CZ-CE1 3.6Å; F528-F664 HydrophobicContact CZ-CZ 4.2Å; L541-F664 CarbonylContact C-O 3.55Å; L541-F664 WeakPolarHBondContact CA-O 3.29Å; Y542-F664 PolarHBondContact N-O 3.13Å; Y542-F664 PolarHBondContact O-N 3.22Å; Y545-F664 AromaticContact CD2-CD2 3.9Å; Y545-F664 HydrophobicContact CD2-CD2 3.9Å; Y545-F664 HydrophobicContact CD2-CE2 4.33Å; Y545-F664 HydrophobicContact CE2-CD2 4.43Å; V662-F664 HydrophobicContact CB-CE2 3.9Å; V662-F664 HydrophobicContact CB-CZ 3.98Å; V662-F664 HydrophobicContact CG2-CE2 3.6Å; V662-F664 HydrophobicContact CG2-CZ 3.86Å; F664-V669 HydrophobicContact CB-CB 4.05Å; F664-V669 HydrophobicContact CB-CG1 4.21Å; F664-V669 HydrophobicContact CG-CB 4.31Å; F664-L686 HydrophobicContact CE2-CD1 4Å; F664-L686 HydrophobicContact CE2-CD2 3.71Å; F664-L686 HydrophobicContact CE2-CG 4.45Å; F664-L686 HydrophobicContact CZ-CD2 3.81Å |
| 665 | H | 89.6 | Confident | 89 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 141.3 | 161.6 | -57.1 | 114.9 | 0 | 0 | 0 | 109.2 | C526 C529 D532 I538 G539 E667 C668 V669 | C526-H665 VanDerWaalsContact CB-ND1 3.31Å; C526-H665 WeakPolarHBondContact CB-ND1 3.12Å; C529-H665 PolarHBondContact SG-CE1 3.15Å; C529-H665 PolarHBondContact SG-ND1 2.81Å; C529-H665 VanDerWaalsContact SG-ND1 3.38Å; D532-H665 PolarHBondContact O-CE1 2.99Å; D532-H665 PolarHBondContact O-NE2 3.45Å; I538-H665 HydrophobicContact CB-CB 4.46Å; I538-H665 HydrophobicContact CG2-CB 3.81Å; G539-H665 PolarHBondContact O-CD2 3.2Å; G539-H665 VanDerWaalsContact O-CD2 3.29Å; H665-E667 PolarHBondContact O-N 3.06Å; H665-C668 HydrophobicContact CB-CB 4.06Å; H665-C668 WeakPolarHBondContact O-CA 3.22Å; H665-C668 WeakPolarHBondContact O-CB 3.04Å; H665-C668 PolarHBondContact O-N 2.94Å; H665-V669 PolarHBondContact O-N 3.47Å |
| 666 | F | 86.9 | Confident | 89 | Confident | 18 Ų | 18 | 29.2 Ų | 29.2 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.9 | -53.7 | -176.5 | 175.3 | -119.6 | 0 | 0 | 0 | 113 | L496 Y542 C668 V669 L670 | L496-F666 HydrophobicContact CD1-CE2 4.04Å; L496-F666 HydrophobicContact CD1-CZ 4Å; L496-F666 HydrophobicContact CD2-CD2 4.32Å; L496-F666 HydrophobicContact CD2-CE2 3.56Å; L496-F666 HydrophobicContact CD2-CZ 4.11Å; L496-F666 HydrophobicContact CG-CE2 4.3Å; L496-F666 HydrophobicContact CG-CZ 4.42Å; Y542-F666 HydrophobicContact CD2-CB 3.87Å; Y542-F666 HydrophobicContact CE2-CB 3.57Å; F666-C668 PolarHBondContact O-N 3.39Å; F666-V669 VanDerWaalsContact O-CG1 3.25Å; F666-V669 WeakPolarHBondContact O-CG1 3.31Å; F666-V669 PolarHBondContact O-N 3.48Å; F666-V669 VanDerWaalsContact O-N 3.13Å; F666-L670 HydrophobicContact CE1-CD2 3.86Å; F666-L670 HydrophobicContact CE2-CB 4.48Å; F666-L670 HydrophobicContact CE2-CD2 4.46Å; F666-L670 HydrophobicContact CZ-CD1 4.4Å; F666-L670 HydrophobicContact CZ-CD2 3.77Å; F666-L670 HydrophobicContact CZ-CG 4.48Å; F666-L670 WeakPolarHBondContact O-CB 3.25Å; F666-L670 PolarHBondContact O-N 3.28Å |
| 667 | E | 90 | Very high | 88.8 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -22.1 | 177.5 | -62.3 | -76.5 | 173.7 | 0 | 0 | 113.1 | S492 I538 H665 W671 Y721 | S492-E667 WeakPolarHBondContact CB-OE1 3.21Å; S492-E667 PolarHBondContact OG-OE1 3.37Å; I538-E667 HydrophobicContact CG2-CB 3.76Å; I538-E667 HydrophobicContact CG2-CG 4.05Å; H665-E667 PolarHBondContact O-N 3.06Å; E667-W671 PolarHBondContact O-N 3.09Å; E667-W671 VanDerWaalsContact OE2-CD1 3.29Å; E667-W671 PolarHBondContact OE2-NE1 2.92Å; E667-Y721 HydrophobicContact CB-CD1 3.66Å; E667-Y721 HydrophobicContact CB-CD2 3.81Å; E667-Y721 HydrophobicContact CB-CE1 3.6Å; E667-Y721 HydrophobicContact CB-CE2 3.76Å; E667-Y721 HydrophobicContact CB-CG 3.75Å; E667-Y721 HydrophobicContact CG-CD1 4.3Å; E667-Y721 HydrophobicContact CG-CE1 3.72Å; E667-Y721 HydrophobicContact CG-CE2 4.14Å; E667-Y721 WeakPolarHBondContact OE2-CE2 3.11Å; E667-Y721 PolarHBondContact OE2-OH 2.92Å |
| 668 | C | 92.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.4 | -27.9 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | F528 H665 F666 | F528-C668 HydrophobicContact CB-CB 4.32Å; F528-C668 HydrophobicContact CD2-CB 4.23Å; F528-C668 WeakPolarHBondContact CD2-O 3.42Å; H665-C668 HydrophobicContact CB-CB 4.06Å; H665-C668 WeakPolarHBondContact O-CA 3.22Å; H665-C668 WeakPolarHBondContact O-CB 3.04Å; H665-C668 PolarHBondContact O-N 2.94Å; F666-C668 PolarHBondContact O-N 3.39Å |
| 669 | V | 90.6 | Very high | 88.3 | Confident | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -91.7 | -35.9 | 174.6 | 63 | 0 | 0 | 0 | 0 | 112.5 | F528 F664 H665 F666 W671 A672 T675 V683 L686 | F528-V669 HydrophobicContact CE2-CB 4.02Å; F528-V669 HydrophobicContact CE2-CG2 4.19Å; F664-V669 HydrophobicContact CB-CB 4.05Å; F664-V669 HydrophobicContact CB-CG1 4.21Å; F664-V669 HydrophobicContact CG-CB 4.31Å; H665-V669 PolarHBondContact O-N 3.47Å; F666-V669 VanDerWaalsContact O-CG1 3.25Å; F666-V669 WeakPolarHBondContact O-CG1 3.31Å; F666-V669 PolarHBondContact O-N 3.48Å; F666-V669 VanDerWaalsContact O-N 3.13Å; V669-W671 VanDerWaalsContact C-N 3.28Å; V669-W671 PolarHBondContact O-N 3.23Å; V669-A672 VanDerWaalsContact O-CB 3.3Å; V669-A672 WeakPolarHBondContact O-CB 2.88Å; V669-A672 PolarHBondContact O-N 2.91Å; V669-T675 PolarHBondContact O-OG1 2.98Å; V669-V683 HydrophobicContact CG2-CG1 3.93Å; V669-L686 HydrophobicContact CG2-CD2 4.22Å |
| 670 | L | 90.1 | Very high | 88 | Confident | 43 Ų | 43 | 34.2 Ų | 34.2 | 23% | 0.225 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -38.1 | 177.8 | -176.6 | 64.2 | 0 | 0 | 0 | 112.6 | F666 Y736 | F666-L670 HydrophobicContact CE1-CD2 3.86Å; F666-L670 HydrophobicContact CE2-CB 4.48Å; F666-L670 HydrophobicContact CE2-CD2 4.46Å; F666-L670 HydrophobicContact CZ-CD1 4.4Å; F666-L670 HydrophobicContact CZ-CD2 3.77Å; F666-L670 HydrophobicContact CZ-CG 4.48Å; F666-L670 WeakPolarHBondContact O-CB 3.25Å; F666-L670 PolarHBondContact O-N 3.28Å; L670-Y736 HydrophobicContact CD1-CE1 4.04Å; L670-Y736 HydrophobicContact CD2-CE1 3.64Å; L670-Y736 HydrophobicContact CG-CD1 4.2Å; L670-Y736 HydrophobicContact CG-CE1 3.55Å |
| 671 | W | 92 | Very high | 87.5 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 11.7 | 177.6 | -65.6 | 75.4 | 0 | 0 | 0 | 113.9 | E667 V669 P673 L708 Y721 L731 D732 R733 Y736 | E667-W671 PolarHBondContact O-N 3.09Å; E667-W671 VanDerWaalsContact OE2-CD1 3.29Å; E667-W671 PolarHBondContact OE2-NE1 2.92Å; V669-W671 VanDerWaalsContact C-N 3.28Å; V669-W671 PolarHBondContact O-N 3.23Å; W671-P673 WeakPolarHBondContact O-CD 3.45Å; W671-L708 HydrophobicContact CB-CD1 4.05Å; W671-L708 HydrophobicContact CB-CD2 3.86Å; W671-L708 HydrophobicContact CB-CG 3.77Å; W671-L708 HydrophobicContact CD2-CD2 4.12Å; W671-L708 HydrophobicContact CE3-CD2 4.04Å; W671-L708 HydrophobicContact CG-CD2 4.09Å; W671-Y721 AromaticContact CD1-CD2 3.84Å; W671-Y721 AromaticContact CD1-CE2 3.81Å; W671-Y721 AromaticContact CE2-CE2 3.9Å; W671-Y721 HydrophobicContact CG-CD2 4.22Å; W671-Y721 HydrophobicContact CG-CE2 4.43Å; W671-Y721 HydrophobicContact CZ2-CE2 4.46Å; W671-Y721 AromaticContact NE1-CD2 3.93Å; W671-Y721 AromaticContact NE1-CE2 3.42Å; W671-L731 HydrophobicContact CD2-CD2 4.43Å; W671-L731 HydrophobicContact CE3-CD2 3.97Å; W671-L731 HydrophobicContact CH2-CB 3.69Å; W671-L731 HydrophobicContact CH2-CD2 3.77Å; W671-L731 HydrophobicContact CH2-CG 4.37Å; W671-L731 HydrophobicContact CZ2-CB 4.32Å; W671-L731 HydrophobicContact CZ2-CD2 4.22Å; W671-L731 HydrophobicContact CZ3-CB 4.21Å; W671-L731 HydrophobicContact CZ3-CD2 3.62Å; W671-D732 VanDerWaalsContact CH2-O 3.29Å; W671-D732 WeakPolarHBondContact CH2-O 3.41Å; W671-R733 HydrophobicContact CH2-CG 4.4Å; W671-R733 HydrophobicContact CZ2-CG 4.16Å; W671-Y736 AromaticContact CD2-CD1 4Å; W671-Y736 HydrophobicContact CD2-CD1 4Å; W671-Y736 AromaticContact CE2-CD1 3.92Å; W671-Y736 HydrophobicContact CE3-CD1 4.33Å; W671-Y736 HydrophobicContact CG-CD1 4.38Å; W671-Y736 HydrophobicContact CZ2-CD1 4.22Å |
| 672 | A | 92 | Very high | 87.2 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | trans | -87.5 | 113.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F528 V669 G674 T675 I707 | F528-A672 HydrophobicContact CE2-CB 3.76Å; F528-A672 HydrophobicContact CZ-CB 3.81Å; V669-A672 VanDerWaalsContact O-CB 3.3Å; V669-A672 WeakPolarHBondContact O-CB 2.88Å; V669-A672 PolarHBondContact O-N 2.91Å; A672-G674 PolarHBondContact O-N 3.08Å; A672-T675 HydrophobicContact CB-CG2 3.66Å; A672-T675 PolarHBondContact O-N 3.06Å; A672-T675 VanDerWaalsContact O-N 3.14Å; A672-T675 PolarHBondContact O-OG1 2.8Å; A672-I707 HydrophobicContact CB-CD1 4.46Å; A672-I707 HydrophobicContact CB-CG1 3.62Å | ||
| 673 | P | 89.4 | Confident | 87 | Confident | 56 Ų | 56 | 34.8 Ų | 34.8 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 131.8 | -175 | 26.3 | -35 | 0 | 0 | 0 | 111.7 | W671 T675 I707 | W671-P673 WeakPolarHBondContact O-CD 3.45Å; P673-T675 VanDerWaalsContact C-N 3.31Å; P673-I707 WeakPolarHBondContact CD-O 3.32Å; P673-I707 HydrophobicContact CG-CD1 4.25Å |
| 674 | G | 86.2 | Confident | 86.8 | Confident | 63 Ų | 63 | 32.8 Ų | 32.8 | 65% | 0.649 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -6.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | A672 | A672-G674 PolarHBondContact O-N 3.08Š|
| 675 | T | 89.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 17% | 0.172 | 22% | 0.222 | C | C | . | . | trans | -80 | 156 | 167.5 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | F528 V669 A672 P673 G684 L686 A689 | F528-T675 HydrophobicContact CZ-CG2 4.47Å; V669-T675 PolarHBondContact O-OG1 2.98Å; A672-T675 HydrophobicContact CB-CG2 3.66Å; A672-T675 PolarHBondContact O-N 3.06Å; A672-T675 VanDerWaalsContact O-N 3.14Å; A672-T675 PolarHBondContact O-OG1 2.8Å; P673-T675 VanDerWaalsContact C-N 3.31Å; T675-G684 VanDerWaalsContact CA-O 3.3Å; T675-G684 WeakPolarHBondContact CA-O 3.47Å; T675-L686 HydrophobicContact CG2-CD2 4.17Å; T675-A689 HydrophobicContact CG2-CB 3.51Å | ||
| 676 | Y | 87.4 | Confident | 86.8 | Confident | 124 Ų | 124 | 34.6 Ų | 34.6 | 49% | 0.486 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 142.6 | 175 | 56.1 | -89.2 | 0 | 0 | 0 | 110.9 | N678 V683 G684 | Y676-N678 VanDerWaalsContact CE2-OD1 3.32Å; Y676-N678 WeakPolarHBondContact CE2-OD1 3.47Å; Y676-V683 CarbonylContact O-C 3.19Å; Y676-V683 WeakPolarHBondContact O-CA 3.32Å; Y676-G684 PolarHBondContact N-O 3.23Å; Y676-G684 PolarHBondContact O-N 2.91Å |
| 677 | V | 84.7 | Confident | 87 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 22% | 0.218 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.5 | 177 | -169.3 | 0 | 0 | 0 | 0 | 109.2 | N445 A682 V683 | N445-V677 PolarHBondContact ND2-O 2.85Å; N445-V677 PolarHBondContact OD1-O 3.12Å; V677-A682 CarbonylContact C-O 3.46Å; V677-V683 HydrophobicContact CG2-CG2 4.28Å |
| 678 | N | 82.3 | Confident | 87.1 | Confident | 64 Ų | 64 | 36.7 Ų | 36.7 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | trans | -67.1 | 150.7 | 170.6 | -72.6 | 90.8 | 0 | 0 | 0 | 110.5 | Y676 N680 G681 A682 | Y676-N678 VanDerWaalsContact CE2-OD1 3.32Å; Y676-N678 WeakPolarHBondContact CE2-OD1 3.47Å; N678-N680 WeakPolarHBondContact CB-OD1 3.47Å; N678-N680 PolarHBondContact O-N 3.42Å; N678-G681 PolarHBondContact O-N 2.88Å; N678-A682 HydrophobicContact CB-CB 4.38Å; N678-A682 PolarHBondContact N-O 2.85Å | ||
| 679 | G | 76.4 | Confident | 87.1 | Confident | 64 Ų | 64 | 36.7 Ų | 36.7 | 66% | 0.66 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -4.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 680 | N | 78.8 | Confident | 87.2 | Confident | 99 Ų | 99 | 36.2 Ų | 36.2 | 53% | 0.529 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 6.1 | 171 | 68.4 | -10.2 | 0 | 0 | 0 | 113.6 | N678 A682 | N678-N680 WeakPolarHBondContact CB-OD1 3.47Å; N678-N680 PolarHBondContact O-N 3.42Å; N680-A682 VanDerWaalsContact OD1-CB 3.31Å; N680-A682 WeakPolarHBondContact OD1-CB 3.12Å; N680-A682 PolarHBondContact OD1-N 3.15Å; N680-A682 VanDerWaalsContact OD1-N 3.12Å |
| 681 | G | 77 | Confident | 87.3 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 85.3 | -4.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N678 | N678-G681 PolarHBondContact O-N 2.88Š|
| 682 | A | 83.1 | Confident | 87.2 | Confident | 18 Ų | 18 | 40 Ų | 40 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | trans | -72.7 | 153.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S504 V677 N678 N680 | S504-A682 WeakPolarHBondContact OG-CB 3.4Å; V677-A682 CarbonylContact C-O 3.46Å; N678-A682 HydrophobicContact CB-CB 4.38Å; N678-A682 PolarHBondContact N-O 2.85Å; N680-A682 VanDerWaalsContact OD1-CB 3.31Å; N680-A682 WeakPolarHBondContact OD1-CB 3.12Å; N680-A682 PolarHBondContact OD1-N 3.15Å; N680-A682 VanDerWaalsContact OD1-N 3.12Å | ||
| 683 | V | 86.6 | Confident | 87.3 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.8 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | Y545 V669 Y676 V677 L686 | Y545-V683 HydrophobicContact CD1-CB 4.16Å; Y545-V683 HydrophobicContact CD1-CG2 4.12Å; Y545-V683 HydrophobicContact CE1-CB 4.08Å; Y545-V683 HydrophobicContact CE1-CG2 3.52Å; V669-V683 HydrophobicContact CG2-CG1 3.93Å; Y676-V683 CarbonylContact O-C 3.19Å; Y676-V683 WeakPolarHBondContact O-CA 3.32Å; V677-V683 HydrophobicContact CG2-CG2 4.28Å; V683-L686 HydrophobicContact CB-CD1 4.24Å; V683-L686 HydrophobicContact CB-CD2 4.3Å; V683-L686 HydrophobicContact CB-CG 4.29Å; V683-L686 HydrophobicContact CG1-CD1 4.4Å; V683-L686 HydrophobicContact CG1-CD2 3.63Å; V683-L686 HydrophobicContact CG1-CG 3.92Å |
| 684 | G | 88.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 168.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | T675 Y676 L686 | T675-G684 VanDerWaalsContact CA-O 3.3Å; T675-G684 WeakPolarHBondContact CA-O 3.47Å; Y676-G684 PolarHBondContact N-O 3.23Å; Y676-G684 PolarHBondContact O-N 2.91Å; G684-L686 VanDerWaalsContact C-N 3.25Å; G684-L686 PolarHBondContact O-N 3.43Å |
| 685 | G | 89.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | trans | 75.8 | 1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G687 A689 | G685-G687 VanDerWaalsContact C-N 3.33Å; G685-G687 PolarHBondContact O-N 3.26Å; G685-A689 WeakPolarHBondContact O-CB 3.37Å; G685-A689 PolarHBondContact O-N 2.83Å; G685-A689 VanDerWaalsContact O-N 3.12Å | ||
| 686 | L | 91 | Very high | 87.7 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -34.8 | -173.2 | -68.6 | 177.7 | 0 | 0 | 0 | 114.7 | Y545 L547 V662 F664 V669 T675 V683 G684 L690 | Y545-L686 HydrophobicContact CG-CD1 4.33Å; L547-L686 HydrophobicContact CD2-CB 3.77Å; V662-L686 HydrophobicContact CG2-CD1 4.33Å; F664-L686 HydrophobicContact CE2-CD1 4Å; F664-L686 HydrophobicContact CE2-CD2 3.71Å; F664-L686 HydrophobicContact CE2-CG 4.45Å; F664-L686 HydrophobicContact CZ-CD2 3.81Å; V669-L686 HydrophobicContact CG2-CD2 4.22Å; T675-L686 HydrophobicContact CG2-CD2 4.17Å; V683-L686 HydrophobicContact CB-CD1 4.24Å; V683-L686 HydrophobicContact CB-CD2 4.3Å; V683-L686 HydrophobicContact CB-CG 4.29Å; V683-L686 HydrophobicContact CG1-CD1 4.4Å; V683-L686 HydrophobicContact CG1-CD2 3.63Å; V683-L686 HydrophobicContact CG1-CG 3.92Å; G684-L686 VanDerWaalsContact C-N 3.25Å; G684-L686 PolarHBondContact O-N 3.43Å; L686-L690 WeakPolarHBondContact O-CB 3.02Å; L686-L690 PolarHBondContact O-N 3.16Å |
| 687 | G | 90.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -61 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G685 A689 L690 Q691 | G685-G687 VanDerWaalsContact C-N 3.33Å; G685-G687 PolarHBondContact O-N 3.26Å; G687-A689 VanDerWaalsContact C-N 3.3Å; G687-A689 PolarHBondContact O-N 3.01Å; G687-L690 PolarHBondContact O-N 2.98Å; G687-Q691 PolarHBondContact O-N 3.38Å |
| 688 | D | 90.9 | Very high | 88.6 | Confident | 65 Ų | 65 | 37 Ų | 37 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.1 | -44.9 | 175.3 | -76.7 | 8.6 | 0 | 0 | 0 | 110.8 | R622 Q691 L692 | R622-D688 IonicContact CZ-OD2 2.62Å; R622-D688 IonicContact NE-OD2 3.16Å; R622-D688 VanDerWaalsContact NH2-CG 3.34Å; R622-D688 IonicContact NH2-OD1 3.53Å; R622-D688 PolarHBondContact NH2-OD1 2.85Å; R622-D688 VanDerWaalsContact NH2-OD1 3.16Å; R622-D688 IonicContact NH2-OD2 3.62Å; R622-D688 PolarHBondContact NH2-OD2 2.96Å; D688-Q691 PolarHBondContact O-N 2.89Å; D688-L692 WeakPolarHBondContact O-CG 3.38Å; D688-L692 PolarHBondContact O-N 2.82Å |
| 689 | A | 93 | Very high | 89.3 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F528 T675 G685 G687 L692 A693 I707 | F528-A689 HydrophobicContact CE1-CB 4.26Å; F528-A689 HydrophobicContact CZ-CB 4.15Å; T675-A689 HydrophobicContact CG2-CB 3.51Å; G685-A689 WeakPolarHBondContact O-CB 3.37Å; G685-A689 PolarHBondContact O-N 2.83Å; G685-A689 VanDerWaalsContact O-N 3.12Å; G687-A689 VanDerWaalsContact C-N 3.3Å; G687-A689 PolarHBondContact O-N 3.01Å; A689-L692 PolarHBondContact O-N 2.81Å; A689-A693 WeakPolarHBondContact O-CB 3.36Å; A689-A693 PolarHBondContact O-N 2.8Å; A689-I707 VanDerWaalsContact O-CD1 3.28Å; A689-I707 WeakPolarHBondContact O-CD1 3.37Å |
| 690 | L | 92.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 178.1 | -177.4 | 55.8 | 0 | 0 | 0 | 111.1 | A527 F528 L547 L555 V656 V662 L686 G687 L692 A693 L694 | A527-L690 HydrophobicContact CB-CD1 4.02Å; A527-L690 HydrophobicContact CB-CD2 4.32Å; A527-L690 VanDerWaalsContact O-CD1 3.25Å; A527-L690 WeakPolarHBondContact O-CD1 3.1Å; F528-L690 HydrophobicContact CD1-CD1 4.1Å; F528-L690 HydrophobicContact CE1-CB 4.25Å; F528-L690 HydrophobicContact CE1-CD1 4.31Å; L547-L690 HydrophobicContact CD1-CD2 3.89Å; L547-L690 HydrophobicContact CD2-CD2 4.46Å; L555-L690 HydrophobicContact CD1-CD2 3.81Å; L555-L690 HydrophobicContact CD1-CG 4.4Å; L555-L690 HydrophobicContact CD2-CG 4.29Å; V656-L690 HydrophobicContact CG2-CD2 4.14Å; V662-L690 HydrophobicContact CG1-CD2 4.34Å; L686-L690 WeakPolarHBondContact O-CB 3.02Å; L686-L690 PolarHBondContact O-N 3.16Å; G687-L690 PolarHBondContact O-N 2.98Å; L690-L692 VanDerWaalsContact C-N 3.33Å; L690-L692 PolarHBondContact O-N 2.99Å; L690-A693 PolarHBondContact O-N 3.14Å; L690-L694 HydrophobicContact CD1-CD1 3.84Å; L690-L694 HydrophobicContact CD1-CG 4.01Å; L690-L694 HydrophobicContact CG-CD1 3.76Å; L690-L694 HydrophobicContact CG-CG 4.42Å; L690-L694 WeakPolarHBondContact O-CB 3.24Å; L690-L694 VanDerWaalsContact O-CD1 3.29Å; L690-L694 WeakPolarHBondContact O-CD1 3.3Å; L690-L694 WeakPolarHBondContact O-CG 3.36Å; L690-L694 PolarHBondContact O-N 3.26Å |
| 691 | Q | 91.2 | Very high | 90.9 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 172.8 | -169.5 | -173.7 | 75.6 | 0 | 0 | 111.6 | L555 G687 D688 N695 | L555-Q691 HydrophobicContact CD2-CB 4.36Å; G687-Q691 PolarHBondContact O-N 3.38Å; D688-Q691 PolarHBondContact O-N 2.89Å; Q691-N695 PolarHBondContact O-N 3.08Å; Q691-N695 PolarHBondContact O-ND2 2.82Å |
| 692 | L | 91.5 | Very high | 91.7 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 173.7 | -73.5 | 170.1 | 0 | 0 | 0 | 111.9 | D688 A689 L690 L694 N695 A696 I707 | D688-L692 WeakPolarHBondContact O-CG 3.38Å; D688-L692 PolarHBondContact O-N 2.82Å; A689-L692 PolarHBondContact O-N 2.81Å; L690-L692 VanDerWaalsContact C-N 3.33Å; L690-L692 PolarHBondContact O-N 2.99Å; L692-L694 PolarHBondContact O-N 3.49Å; L692-N695 PolarHBondContact O-N 3.48Å; L692-A696 WeakPolarHBondContact O-CB 3.47Å; L692-A696 PolarHBondContact O-N 3.31Å; L692-A696 VanDerWaalsContact O-N 3.08Å; L692-I707 HydrophobicContact CB-CD1 4.34Å |
| 693 | A | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -47.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F528 A689 L690 N695 A696 G705 A706 I707 | F528-A693 HydrophobicContact CD1-CB 3.53Å; F528-A693 HydrophobicContact CE1-CB 4.08Å; A689-A693 WeakPolarHBondContact O-CB 3.36Å; A689-A693 PolarHBondContact O-N 2.8Å; L690-A693 PolarHBondContact O-N 3.14Å; A693-N695 PolarHBondContact O-N 2.95Å; A693-A696 PolarHBondContact O-N 3.26Å; A693-A696 VanDerWaalsContact O-N 3.15Å; A693-G705 CarbonylContact O-C 3.53Å; A693-G705 VanDerWaalsContact O-C 3.25Å; A693-G705 WeakPolarHBondContact O-CA 3.34Å; A693-G705 PolarHBondContact O-N 2.91Å; A693-A706 PolarHBondContact O-N 3.07Å; A693-A706 VanDerWaalsContact O-N 3.16Å; A693-I707 HydrophobicContact CB-CB 3.78Å; A693-I707 HydrophobicContact CB-CD1 3.95Å; A693-I707 HydrophobicContact CB-CG1 4.13Å |
| 694 | L | 90.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.8 | -32.2 | -174 | -68.9 | 162 | 0 | 0 | 0 | 113 | L555 L559 L690 L692 | L555-L694 HydrophobicContact CD2-CD1 3.73Å; L559-L694 HydrophobicContact CD1-CD1 3.32Å; L559-L694 HydrophobicContact CD1-CD2 3.59Å; L559-L694 HydrophobicContact CD1-CG 3.98Å; L559-L694 HydrophobicContact CD2-CD2 4.27Å; L690-L694 HydrophobicContact CD1-CD1 3.84Å; L690-L694 HydrophobicContact CD1-CG 4.01Å; L690-L694 HydrophobicContact CG-CD1 3.76Å; L690-L694 HydrophobicContact CG-CG 4.42Å; L690-L694 WeakPolarHBondContact O-CB 3.24Å; L690-L694 VanDerWaalsContact O-CD1 3.29Å; L690-L694 WeakPolarHBondContact O-CD1 3.3Å; L690-L694 WeakPolarHBondContact O-CG 3.36Å; L690-L694 PolarHBondContact O-N 3.26Å; L692-L694 PolarHBondContact O-N 3.49Å |
| 695 | N | 90.3 | Very high | 92.7 | Very high | 116 Ų | 116 | 43.7 Ų | 43.7 | 62% | 0.62 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -73.1 | -31.1 | 171.9 | -71.8 | -49.2 | 0 | 0 | 0 | 111.8 | Q691 L692 A693 H697 | Q691-N695 PolarHBondContact O-N 3.08Å; Q691-N695 PolarHBondContact O-ND2 2.82Å; L692-N695 PolarHBondContact O-N 3.48Å; A693-N695 PolarHBondContact O-N 2.95Å; N695-H697 PolarHBondContact O-ND1 2.95Å |
| 696 | A | 93.1 | Very high | 93 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 123.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L692 A693 P704 G705 A706 | L692-A696 WeakPolarHBondContact O-CB 3.47Å; L692-A696 PolarHBondContact O-N 3.31Å; L692-A696 VanDerWaalsContact O-N 3.08Å; A693-A696 PolarHBondContact O-N 3.26Å; A693-A696 VanDerWaalsContact O-N 3.15Å; A696-P704 WeakPolarHBondContact O-CA 3.31Å; A696-G705 PolarHBondContact O-N 3.38Å; A696-A706 HydrophobicContact CB-CB 4.1Å; A696-A706 VanDerWaalsContact CB-O 3.22Å; A696-A706 WeakPolarHBondContact CB-O 3.44Å; A696-A706 WeakPolarHBondContact O-CB 3.32Å; A696-A706 PolarHBondContact O-N 2.98Å |
| 697 | H | 95.2 | Very high | 93.1 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -94.5 | 139.9 | 173.8 | -69.2 | 60.8 | 0 | 0 | 0 | 110.3 | N695 S699 | N695-H697 PolarHBondContact O-ND1 2.95Å; H697-S699 PolarHBondContact O-N 3.49Å |
| 698 | C | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 124.6 | -176.5 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | H700 C701 Q702 K703 A706 H720 C723 | C698-H700 PolarHBondContact O-N 3Å; C698-H700 PolarHBondContact SG-N 3.2Å; C698-H700 VanDerWaalsContact SG-N 3.38Å; C698-C701 VanDerWaalsContact CB-SG 3.53Å; C698-C701 PolarHBondContact O-N 3.17Å; C698-Q702 WeakPolarHBondContact O-CA 3.13Å; C698-Q702 PolarHBondContact O-N 3.16Å; C698-K703 PolarHBondContact N-O 2.93Å; C698-A706 HydrophobicContact CB-CB 3.82Å; C698-H720 VanDerWaalsContact CB-CE1 3.47Å; C698-H720 WeakPolarHBondContact CB-CE1 3.23Å; C698-H720 WeakPolarHBondContact CB-ND1 3.3Å; C698-C723 WeakPolarHBondContact SG-CB 3.3Å |
| 699 | S | 95.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 42 Ų | 42 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.4 | 179.2 | -45.2 | 0 | 0 | 0 | 0 | 114.4 | H697 Q702 L717 S718 | H697-S699 PolarHBondContact O-N 3.49Å; S699-Q702 PolarHBondContact O-NE2 3.38Å; S699-L717 WeakPolarHBondContact OG-CA 3.28Å; S699-L717 WeakPolarHBondContact OG-CD2 3.41Å; S699-S718 WeakPolarHBondContact CB-O 3.39Å; S699-S718 PolarHBondContact N-O 2.99Å; S699-S718 PolarHBondContact OG-N 3.19Å; S699-S718 PolarHBondContact OG-O 2.98Å |
| 700 | H | 94.9 | Very high | 93.5 | Very high | 92 Ų | 92 | 42.4 Ų | 42.4 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -50.4 | -179.9 | 178.1 | -80.6 | 0 | 0 | 0 | 112.6 | C698 Y719 C723 | C698-H700 PolarHBondContact O-N 3Å; C698-H700 PolarHBondContact SG-N 3.2Å; C698-H700 VanDerWaalsContact SG-N 3.38Å; H700-Y719 HydrophobicContact CB-CD1 4.28Å; H700-Y719 HydrophobicContact CB-CE1 4.43Å; H700-C723 HydrophobicContact CB-CB 4.01Å |
| 701 | C | 94.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 46 Ų | 46 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -3.6 | -175 | 74.2 | 0 | 0 | 0 | 0 | 115.2 | C698 K703 H720 | C698-C701 VanDerWaalsContact CB-SG 3.53Å; C698-C701 PolarHBondContact O-N 3.17Å; C701-K703 PolarHBondContact O-N 3.02Å; C701-H720 VanDerWaalsContact SG-CE1 3.51Å; C701-H720 PolarHBondContact SG-ND1 2.71Å; C701-H720 VanDerWaalsContact SG-ND1 3.42Å |
| 702 | Q | 94 | Very high | 93.6 | Very high | 127 Ų | 127 | 46 Ų | 46 | 59% | 0.593 | 25% | 0.252 | S | S | * | . | trans | 58.2 | 2.9 | -178.7 | -51.9 | -58.8 | -32.1 | 0 | 0 | 116.6 | C698 S699 | C698-Q702 WeakPolarHBondContact O-CA 3.13Å; C698-Q702 PolarHBondContact O-N 3.16Å; S699-Q702 PolarHBondContact O-NE2 3.38Å | ||
| 703 | K | 93 | Very high | 93.5 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 41% | 0.409 | 27% | 0.266 | S | S | . | . | trans | -72.4 | 148.7 | 169.9 | -60 | -176.5 | -178.8 | -177 | 0 | 111.4 | E531 C698 C701 | E531-K703 VanDerWaalsContact CD-NZ 3.32Å; E531-K703 IonicContact OE1-NZ 2.63Å; E531-K703 PolarHBondContact OE1-NZ 2.97Å; E531-K703 IonicContact OE2-NZ 3.24Å; E531-K703 PolarHBondContact OE2-NZ 3.24Å; C698-K703 PolarHBondContact N-O 2.93Å; C701-K703 PolarHBondContact O-N 3.02Å | ||
| 704 | P | 93 | Very high | 93.5 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 14% | 0.143 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 162.5 | 169.8 | 30.9 | -36.2 | 0 | 0 | 0 | 112.2 | R655 A696 H720 | R655-P704 PolarHBondContact NH2-O 3.29Å; A696-P704 WeakPolarHBondContact O-CA 3.31Å; P704-H720 PolarHBondContact O-NE2 2.96Å |
| 705 | G | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | 107.2 | 13.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | F528 A693 A696 I707 H720 | F528-G705 CarbonylContact O-C 3.57Å; F528-G705 WeakPolarHBondContact O-CA 3.1Å; A693-G705 CarbonylContact O-C 3.53Å; A693-G705 VanDerWaalsContact O-C 3.25Å; A693-G705 WeakPolarHBondContact O-CA 3.34Å; A693-G705 PolarHBondContact O-N 2.91Å; A696-G705 PolarHBondContact O-N 3.38Å; G705-I707 PolarHBondContact O-N 2.98Å; G705-H720 PolarHBondContact O-CD2 3.39Å; G705-H720 PolarHBondContact O-NE2 2.85Å | ||
| 706 | A | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | trans | -81.6 | 79.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A693 A696 C698 S718 Y719 | A693-A706 PolarHBondContact O-N 3.07Å; A693-A706 VanDerWaalsContact O-N 3.16Å; A696-A706 HydrophobicContact CB-CB 4.1Å; A696-A706 VanDerWaalsContact CB-O 3.22Å; A696-A706 WeakPolarHBondContact CB-O 3.44Å; A696-A706 WeakPolarHBondContact O-CB 3.32Å; A696-A706 PolarHBondContact O-N 2.98Å; C698-A706 HydrophobicContact CB-CB 3.82Å; A706-S718 WeakPolarHBondContact O-CB 3.11Å; A706-Y719 CarbonylContact C-O 3.53Å | ||
| 707 | I | 94 | Very high | 93.8 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | trans | -76.2 | -24 | -170.4 | -167.4 | 46.3 | 0 | 0 | 0 | 114.8 | F528 A672 P673 A689 L692 A693 G705 Y719 | F528-I707 HydrophobicContact CB-CG2 4.04Å; F528-I707 HydrophobicContact CD1-CB 4.11Å; F528-I707 HydrophobicContact CD1-CG1 4.07Å; F528-I707 HydrophobicContact CD1-CG2 4.3Å; F528-I707 HydrophobicContact CD2-CG2 4.25Å; F528-I707 HydrophobicContact CE1-CD1 4.46Å; F528-I707 HydrophobicContact CE1-CG1 4Å; F528-I707 HydrophobicContact CG-CB 4.28Å; F528-I707 HydrophobicContact CG-CG1 4.48Å; F528-I707 HydrophobicContact CG-CG2 3.96Å; F528-I707 HydrophobicContact CZ-CG1 4.36Å; A672-I707 HydrophobicContact CB-CD1 4.46Å; A672-I707 HydrophobicContact CB-CG1 3.62Å; P673-I707 WeakPolarHBondContact CD-O 3.32Å; P673-I707 HydrophobicContact CG-CD1 4.25Å; A689-I707 VanDerWaalsContact O-CD1 3.28Å; A689-I707 WeakPolarHBondContact O-CD1 3.37Å; L692-I707 HydrophobicContact CB-CD1 4.34Å; A693-I707 HydrophobicContact CB-CB 3.78Å; A693-I707 HydrophobicContact CB-CD1 3.95Å; A693-I707 HydrophobicContact CB-CG1 4.13Å; G705-I707 PolarHBondContact O-N 2.98Å; I707-Y719 PolarHBondContact N-O 3.5Å | ||
| 708 | L | 94.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.5 | 171.9 | -67.5 | 79 | 0 | 0 | 0 | 109.2 | W671 S718 Y719 Y721 L731 L738 | W671-L708 HydrophobicContact CB-CD1 4.05Å; W671-L708 HydrophobicContact CB-CD2 3.86Å; W671-L708 HydrophobicContact CB-CG 3.77Å; W671-L708 HydrophobicContact CD2-CD2 4.12Å; W671-L708 HydrophobicContact CE3-CD2 4.04Å; W671-L708 HydrophobicContact CG-CD2 4.09Å; L708-S718 CarbonylContact O-C 3.56Å; L708-S718 WeakPolarHBondContact O-CA 3.5Å; L708-S718 WeakPolarHBondContact O-CB 3.4Å; L708-Y719 WeakPolarHBondContact CB-O 3.28Å; L708-Y719 PolarHBondContact N-O 3.18Å; L708-Y719 VanDerWaalsContact N-O 3.09Å; L708-Y719 PolarHBondContact O-N 2.92Å; L708-Y721 HydrophobicContact CD2-CD2 4.27Å; L708-L731 HydrophobicContact CD2-CD2 3.89Å; L708-L738 HydrophobicContact CB-CD1 3.89Å; L708-L738 HydrophobicContact CD2-CD1 3.93Å |
| 709 | S | 93.4 | Very high | 93.8 | Very high | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.6 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | C711 | S709-C711 PolarHBondContact O-N 2.88Å |
| 710 | C | 94.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.054 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 124.7 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 112 | N712 C715 L717 L738 C740 H743 | C710-N712 PolarHBondContact O-N 3.27Å; C710-N712 VanDerWaalsContact O-N 3.14Å; C710-C715 HydrophobicContact CB-CB 4.01Å; C710-C715 VanDerWaalsContact CB-SG 3.51Å; C710-L717 PolarHBondContact N-O 2.97Å; C710-L717 VanDerWaalsContact N-O 3.09Å; C710-L738 CarbonylContact C-O 3.53Å; C710-L738 WeakPolarHBondContact CA-O 3.23Å; C710-L738 HydrophobicContact CB-CD2 3.87Å; C710-C740 HydrophobicContact CB-CB 4.13Å; C710-C740 PolarHBondContact SG-N 3.06Å; C710-C740 VanDerWaalsContact SG-N 3.38Å; C710-H743 PolarHBondContact SG-ND1 3.11Å |
| 711 | C | 92.7 | Very high | 93.8 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | trans | -66.9 | -12.7 | -174.8 | -167.7 | 0 | 0 | 0 | 0 | 114.9 | S709 I737 L738 L739 | S709-C711 PolarHBondContact O-N 2.88Å; C711-I737 HydrophobicContact CB-CB 4.19Å; C711-I737 HydrophobicContact CB-CG2 4.45Å; C711-L738 PolarHBondContact N-O 2.88Å; C711-L739 HydrophobicContact CB-CD2 4.27Å | ||
| 712 | N | 92.4 | Very high | 93.7 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -69.7 | 136.3 | 179 | -173.1 | 32.1 | 0 | 0 | 0 | 112 | C710 G714 C715 L739 H743 | C710-N712 PolarHBondContact O-N 3.27Å; C710-N712 VanDerWaalsContact O-N 3.14Å; N712-G714 PolarHBondContact O-N 3.44Å; N712-C715 HydrophobicContact CB-CB 4.38Å; N712-C715 WeakPolarHBondContact O-CB 3.41Å; N712-C715 PolarHBondContact O-N 2.91Å; N712-L739 HydrophobicContact CB-CD2 4.47Å; N712-H743 HydrophobicContact CB-CB 4.12Å; N712-H743 PolarHBondContact ND2-CD2 3.34Å; N712-H743 PolarHBondContact ND2-CE1 2.93Å; N712-H743 PolarHBondContact ND2-NE2 3.05Å |
| 713 | R | 91.3 | Very high | 93.8 | Very high | 176 Ų | 176 | 41.9 Ų | 41.9 | 66% | 0.664 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 120.8 | -173.2 | -64.5 | 179.1 | 178 | -160.1 | -6.2 | 111.3 | Y384 C715 | Y384-R713 VanDerWaalsContact CZ-NH1 3.31Å; Y384-R713 VanDerWaalsContact CZ-NH2 3.3Å; Y384-R713 PolarHBondContact OH-NH1 2.81Å; R713-C715 VanDerWaalsContact C-N 3.33Å |
| 714 | G | 91.3 | Very high | 93.9 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 89% | 0.887 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N712 | N712-G714 PolarHBondContact O-N 3.44Š|
| 715 | C | 94 | Very high | 93.9 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | trans | -73.2 | 134.8 | 166.2 | -163 | 0 | 0 | 0 | 0 | 110.1 | C710 N712 R713 H743 | C710-C715 HydrophobicContact CB-CB 4.01Å; C710-C715 VanDerWaalsContact CB-SG 3.51Å; N712-C715 HydrophobicContact CB-CB 4.38Å; N712-C715 WeakPolarHBondContact O-CB 3.41Å; N712-C715 PolarHBondContact O-N 2.91Å; R713-C715 VanDerWaalsContact C-N 3.33Å; C715-H743 PolarHBondContact SG-CE1 2.79Å | ||
| 716 | N | 92.5 | Very high | 93.9 | Very high | 120 Ų | 120 | 44 Ų | 44 | 64% | 0.642 | 25% | 0.248 | S | C | * | . | trans | -115.8 | 17.6 | 174 | 68.8 | -33.9 | 0 | 0 | 0 | 112.4 | S718 | N716-S718 PolarHBondContact O-N 3.2Š| ||
| 717 | L | 95 | Very high | 93.9 | Very high | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | trans | -84.5 | 111 | 179.4 | -62.5 | 175.1 | 0 | 0 | 0 | 110.2 | S699 C710 Y719 C740 K742 | S699-L717 WeakPolarHBondContact OG-CA 3.28Å; S699-L717 WeakPolarHBondContact OG-CD2 3.41Å; C710-L717 PolarHBondContact N-O 2.97Å; C710-L717 VanDerWaalsContact N-O 3.09Å; L717-Y719 HydrophobicContact CB-CE2 3.91Å; L717-C740 HydrophobicContact CD1-CB 4.32Å; L717-K742 HydrophobicContact CD1-CD 4.17Å | ||
| 718 | S | 95.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 156.9 | 174.6 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | S699 A706 L708 N716 | S699-S718 WeakPolarHBondContact CB-O 3.39Å; S699-S718 PolarHBondContact N-O 2.99Å; S699-S718 PolarHBondContact OG-N 3.19Å; S699-S718 PolarHBondContact OG-O 2.98Å; A706-S718 WeakPolarHBondContact O-CB 3.11Å; L708-S718 CarbonylContact O-C 3.56Å; L708-S718 WeakPolarHBondContact O-CA 3.5Å; L708-S718 WeakPolarHBondContact O-CB 3.4Å; N716-S718 PolarHBondContact O-N 3.2Å |
| 719 | Y | 96.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151.9 | -175.6 | -58.5 | -95.7 | 0 | 0 | 0 | 111.5 | H700 A706 I707 L708 L717 A724 A727 C729 L738 C740 | H700-Y719 HydrophobicContact CB-CD1 4.28Å; H700-Y719 HydrophobicContact CB-CE1 4.43Å; A706-Y719 CarbonylContact C-O 3.53Å; I707-Y719 PolarHBondContact N-O 3.5Å; L708-Y719 WeakPolarHBondContact CB-O 3.28Å; L708-Y719 PolarHBondContact N-O 3.18Å; L708-Y719 VanDerWaalsContact N-O 3.09Å; L708-Y719 PolarHBondContact O-N 2.92Å; L717-Y719 HydrophobicContact CB-CE2 3.91Å; Y719-A724 HydrophobicContact CG-CB 4.37Å; Y719-A727 HydrophobicContact CD1-CB 4.07Å; Y719-A727 HydrophobicContact CE1-CB 3.6Å; Y719-C729 VanDerWaalsContact CZ-SG 3.6Å; Y719-L738 HydrophobicContact CD2-CD1 4.17Å; Y719-L738 HydrophobicContact CD2-CD2 4.11Å; Y719-L738 HydrophobicContact CE2-CD2 4.28Å; Y719-C740 HydrophobicContact CE2-CB 3.89Å |
| 720 | H | 95.4 | Very high | 94 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | trans | -75.1 | 157.5 | 154 | -51 | 104.4 | 0 | 0 | 0 | 109.3 | C529 C698 C701 P704 G705 Q722 C723 A724 | C529-H720 HydrophobicContact CB-CB 4.43Å; C698-H720 VanDerWaalsContact CB-CE1 3.47Å; C698-H720 WeakPolarHBondContact CB-CE1 3.23Å; C698-H720 WeakPolarHBondContact CB-ND1 3.3Å; C701-H720 VanDerWaalsContact SG-CE1 3.51Å; C701-H720 PolarHBondContact SG-ND1 2.71Å; C701-H720 VanDerWaalsContact SG-ND1 3.42Å; P704-H720 PolarHBondContact O-NE2 2.96Å; G705-H720 PolarHBondContact O-CD2 3.39Å; G705-H720 PolarHBondContact O-NE2 2.85Å; H720-Q722 PolarHBondContact O-N 2.9Å; H720-C723 HydrophobicContact CB-CB 4.08Å; H720-C723 CarbonylContact O-C 3.6Å; H720-C723 WeakPolarHBondContact O-CA 3.49Å; H720-C723 WeakPolarHBondContact O-CB 3.32Å; H720-C723 PolarHBondContact O-N 3.13Å; H720-A724 PolarHBondContact O-N 3.37Å | ||
| 721 | Y | 94.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -50.6 | -58 | -177.5 | 178.4 | -100.9 | 0 | 0 | 0 | 113 | I538 E667 W671 L708 C723 A724 I725 | I538-Y721 HydrophobicContact CD1-CD1 4.44Å; I538-Y721 HydrophobicContact CG1-CD1 4.42Å; I538-Y721 HydrophobicContact CG2-CD1 4.18Å; I538-Y721 HydrophobicContact CG2-CE1 4.45Å; E667-Y721 HydrophobicContact CB-CD1 3.66Å; E667-Y721 HydrophobicContact CB-CD2 3.81Å; E667-Y721 HydrophobicContact CB-CE1 3.6Å; E667-Y721 HydrophobicContact CB-CE2 3.76Å; E667-Y721 HydrophobicContact CB-CG 3.75Å; E667-Y721 HydrophobicContact CG-CD1 4.3Å; E667-Y721 HydrophobicContact CG-CE1 3.72Å; E667-Y721 HydrophobicContact CG-CE2 4.14Å; E667-Y721 WeakPolarHBondContact OE2-CE2 3.11Å; E667-Y721 PolarHBondContact OE2-OH 2.92Å; W671-Y721 AromaticContact CD1-CD2 3.84Å; W671-Y721 AromaticContact CD1-CE2 3.81Å; W671-Y721 AromaticContact CE2-CE2 3.9Å; W671-Y721 HydrophobicContact CG-CD2 4.22Å; W671-Y721 HydrophobicContact CG-CE2 4.43Å; W671-Y721 HydrophobicContact CZ2-CE2 4.46Å; W671-Y721 AromaticContact NE1-CD2 3.93Å; W671-Y721 AromaticContact NE1-CE2 3.42Å; L708-Y721 HydrophobicContact CD2-CD2 4.27Å; Y721-C723 PolarHBondContact O-N 3.19Å; Y721-A724 WeakPolarHBondContact O-CB 3.35Å; Y721-A724 PolarHBondContact O-N 2.97Å; Y721-I725 HydrophobicContact CD1-CD1 4.14Å; Y721-I725 HydrophobicContact CE1-CD1 3.59Å; Y721-I725 PolarHBondContact O-N 3.15Å |
| 722 | Q | 93.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.1 | -25.9 | 177.7 | -158.5 | 67.4 | 25.5 | 0 | 0 | 113.4 | Y535 T536 I538 H720 K726 | Y535-Q722 HydrophobicContact CE1-CB 4.02Å; T536-Q722 HydrophobicContact CG2-CG 4.29Å; T536-Q722 WeakPolarHBondContact OG1-CG 3.44Å; I538-Q722 HydrophobicContact CD1-CB 4.12Å; H720-Q722 PolarHBondContact O-N 2.9Å; Q722-K726 HydrophobicContact CG-CD 4.25Å; Q722-K726 WeakPolarHBondContact O-CB 3.33Å; Q722-K726 VanDerWaalsContact O-CG 3.24Å; Q722-K726 WeakPolarHBondContact O-CG 3.32Å; Q722-K726 PolarHBondContact O-N 2.62Å |
| 723 | C | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.3 | -22.5 | 175.6 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | C698 H700 H720 Y721 A727 | C698-C723 WeakPolarHBondContact SG-CB 3.3Å; H700-C723 HydrophobicContact CB-CB 4.01Å; H720-C723 HydrophobicContact CB-CB 4.08Å; H720-C723 CarbonylContact O-C 3.6Å; H720-C723 WeakPolarHBondContact O-CA 3.49Å; H720-C723 WeakPolarHBondContact O-CB 3.32Å; H720-C723 PolarHBondContact O-N 3.13Å; Y721-C723 PolarHBondContact O-N 3.19Å; C723-A727 WeakPolarHBondContact O-CB 3.47Å; C723-A727 PolarHBondContact O-N 2.9Å; C723-A727 VanDerWaalsContact O-N 3.17Å |
| 724 | A | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.6 | -46.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y719 H720 Y721 A727 E728 C729 L731 L738 | Y719-A724 HydrophobicContact CG-CB 4.37Å; H720-A724 PolarHBondContact O-N 3.37Å; Y721-A724 WeakPolarHBondContact O-CB 3.35Å; Y721-A724 PolarHBondContact O-N 2.97Å; A724-A727 CarbonylContact O-C 3.41Å; A724-A727 PolarHBondContact O-N 3.41Å; A724-E728 PolarHBondContact O-N 3.49Å; A724-C729 HydrophobicContact CB-CB 4.07Å; A724-C729 WeakPolarHBondContact O-CB 3.34Å; A724-C729 PolarHBondContact O-N 3.13Å; A724-L731 HydrophobicContact CB-CD1 4.26Å; A724-L731 HydrophobicContact CB-CD2 4.26Å; A724-L738 HydrophobicContact CB-CD1 3.46Å; A724-L738 VanDerWaalsContact CB-CD1 3.46Å |
| 725 | I | 93.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.4 | -52.3 | 175.1 | -60.8 | 172.3 | 0 | 0 | 0 | 110.2 | Y721 A727 E728 L731 | Y721-I725 HydrophobicContact CD1-CD1 4.14Å; Y721-I725 HydrophobicContact CE1-CD1 3.59Å; Y721-I725 PolarHBondContact O-N 3.15Å; I725-A727 PolarHBondContact O-N 2.61Å; I725-E728 PolarHBondContact O-N 2.87Å; I725-E728 VanDerWaalsContact O-N 3.07Å; I725-L731 HydrophobicContact CG1-CD1 3.75Å |
| 726 | K | 93.7 | Very high | 93 | Very high | 102 Ų | 102 | 52 Ų | 52 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -20.1 | 178 | -72 | 170.1 | 177.3 | 171.7 | 0 | 114.4 | Q722 | Q722-K726 HydrophobicContact CG-CD 4.25Å; Q722-K726 WeakPolarHBondContact O-CB 3.33Å; Q722-K726 VanDerWaalsContact O-CG 3.24Å; Q722-K726 WeakPolarHBondContact O-CG 3.32Å; Q722-K726 PolarHBondContact O-N 2.62Å |
| 727 | A | 94.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 6.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y719 C723 A724 I725 C729 | Y719-A727 HydrophobicContact CD1-CB 4.07Å; Y719-A727 HydrophobicContact CE1-CB 3.6Å; C723-A727 WeakPolarHBondContact O-CB 3.47Å; C723-A727 PolarHBondContact O-N 2.9Å; C723-A727 VanDerWaalsContact O-N 3.17Å; A724-A727 CarbonylContact O-C 3.41Å; A724-A727 PolarHBondContact O-N 3.41Å; I725-A727 PolarHBondContact O-N 2.61Å; A727-C729 VanDerWaalsContact C-N 3.25Å; A727-C729 PolarHBondContact O-N 3.24Å |
| 728 | E | 94.1 | Very high | 92.8 | Very high | 124 Ų | 124 | 47 Ų | 47 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.8 | -174.4 | -58.5 | 162.2 | -106.9 | 0 | 0 | 112.4 | A724 I725 K741 | A724-E728 PolarHBondContact O-N 3.49Å; I725-E728 PolarHBondContact O-N 2.87Å; I725-E728 VanDerWaalsContact O-N 3.07Å; E728-K741 HydrophobicContact CB-CD 4.14Å; E728-K741 IonicContact OE1-NZ 2.71Å; E728-K741 PolarHBondContact OE1-NZ 3.47Å; E728-K741 VanDerWaalsContact OE2-CE 3.23Å; E728-K741 WeakPolarHBondContact OE2-CE 3.31Å; E728-K741 IonicContact OE2-NZ 2.65Å; E728-K741 PolarHBondContact OE2-NZ 3.07Å |
| 729 | C | 94.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.081 | 23% | 0.229 | C | C | . | . | trans | -76.3 | 139.4 | 168.3 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | Y719 A724 A727 L738 L739 | Y719-C729 VanDerWaalsContact CZ-SG 3.6Å; A724-C729 HydrophobicContact CB-CB 4.07Å; A724-C729 WeakPolarHBondContact O-CB 3.34Å; A724-C729 PolarHBondContact O-N 3.13Å; A727-C729 VanDerWaalsContact C-N 3.25Å; A727-C729 PolarHBondContact O-N 3.24Å; C729-L738 HydrophobicContact CB-CD1 4.12Å; C729-L738 HydrophobicContact CB-CD2 4.24Å; C729-L738 HydrophobicContact CB-CG 4.06Å; C729-L739 CarbonylContact C-O 3.46Å; C729-L739 WeakPolarHBondContact CA-O 3.29Å | ||
| 730 | H | 94.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.4 | 169.1 | -175.8 | 113.9 | 0 | 0 | 0 | 109.3 | L738 L739 H744 | H730-L738 WeakPolarHBondContact O-CA 3.03Å; H730-L739 HydrophobicContact CB-CB 4.28Å; H730-L739 PolarHBondContact N-O 3.14Å; H730-L739 PolarHBondContact O-N 2.93Å; H730-H744 HydrophobicContact CB-CB 3.96Å; H730-H744 AromaticContact CE1-NE2 3.89Å; H730-H744 AromaticContact CG-CD2 3.64Å; H730-H744 AromaticContact CG-NE2 3.78Å; H730-H744 AromaticContact ND1-CD2 3.25Å; H730-H744 PolarHBondContact ND1-CD2 3.42Å; H730-H744 AromaticContact ND1-CE1 3.74Å; H730-H744 AromaticContact ND1-NE2 2.96Å; H730-H744 PolarHBondContact ND1-NE2 2.98Å |
| 731 | L | 93.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 93.4 | -173.7 | -74.8 | 152.3 | 0 | 0 | 0 | 107.5 | W671 L708 A724 I725 L738 | W671-L731 HydrophobicContact CD2-CD2 4.43Å; W671-L731 HydrophobicContact CE3-CD2 3.97Å; W671-L731 HydrophobicContact CH2-CB 3.69Å; W671-L731 HydrophobicContact CH2-CD2 3.77Å; W671-L731 HydrophobicContact CH2-CG 4.37Å; W671-L731 HydrophobicContact CZ2-CB 4.32Å; W671-L731 HydrophobicContact CZ2-CD2 4.22Å; W671-L731 HydrophobicContact CZ3-CB 4.21Å; W671-L731 HydrophobicContact CZ3-CD2 3.62Å; L708-L731 HydrophobicContact CD2-CD2 3.89Å; A724-L731 HydrophobicContact CB-CD1 4.26Å; A724-L731 HydrophobicContact CB-CD2 4.26Å; I725-L731 HydrophobicContact CG1-CD1 3.75Å; L731-L738 HydrophobicContact CD2-CB 4.49Å; L731-L738 HydrophobicContact CD2-CD1 4.1Å; L731-L738 HydrophobicContact CD2-CG 4.44Å |
| 732 | D | 90.5 | Very high | 92.5 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.4 | 175.5 | 171.5 | -15.6 | 0 | 0 | 0 | 108.1 | W671 D734 Q735 Y736 I737 | W671-D732 VanDerWaalsContact CH2-O 3.29Å; W671-D732 WeakPolarHBondContact CH2-O 3.41Å; D732-D734 PolarHBondContact OD1-N 3.09Å; D732-Q735 PolarHBondContact OD1-N 2.82Å; D732-Q735 PolarHBondContact OD2-NE2 2.98Å; D732-Y736 CarbonylContact O-C 3.6Å; D732-Y736 WeakPolarHBondContact O-CA 3.4Å; D732-Y736 PolarHBondContact O-N 3.34Å; D732-I737 HydrophobicContact CB-CD1 4.5Å; D732-I737 HydrophobicContact CB-CG1 3.69Å; D732-I737 PolarHBondContact N-O 3.44Å; D732-I737 PolarHBondContact O-N 2.95Å; D732-I737 VanDerWaalsContact O-N 3.15Å |
| 733 | R | 88.8 | Confident | 92.5 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -22 | -178.2 | -55 | -168.3 | -162 | -131.7 | 2.3 | 113.6 | V488 S492 W671 Y736 | V488-R733 PolarHBondContact O-NH1 3.12Å; V488-R733 VanDerWaalsContact O-NH1 3.11Å; V488-R733 PolarHBondContact O-NH2 2.82Å; S492-R733 PolarHBondContact OG-NH1 3.45Å; W671-R733 HydrophobicContact CH2-CG 4.4Å; W671-R733 HydrophobicContact CZ2-CG 4.16Å; R733-Y736 WeakPolarHBondContact O-CD2 3.37Å; R733-Y736 WeakPolarHBondContact O-CE2 3.08Å |
| 734 | D | 87.4 | Confident | 92.2 | Very high | 154 Ų | 154 | 61.4 Ų | 61.4 | 82% | 0.824 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -32.8 | -179.1 | -60.4 | -31.8 | 0 | 0 | 0 | 110.2 | D732 | D732-D734 PolarHBondContact OD1-N 3.09Š|
| 735 | Q | 86.2 | Confident | 91.6 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -3.6 | 177.7 | -59.6 | -180 | 72.2 | 0 | 0 | 113.7 | I443 D732 I737 | I443-Q735 WeakPolarHBondContact CD1-O 3.11Å; D732-Q735 PolarHBondContact OD1-N 2.82Å; D732-Q735 PolarHBondContact OD2-NE2 2.98Å; Q735-I737 HydrophobicContact CB-CD1 4.26Å; Q735-I737 HydrophobicContact CB-CG1 4.04Å; Q735-I737 HydrophobicContact CB-CG2 4.19Å; Q735-I737 WeakPolarHBondContact O-CG2 3.5Å; Q735-I737 PolarHBondContact O-N 3.08Å |
| 736 | Y | 89.1 | Confident | 90.7 | Very high | 65 Ų | 65 | 73.1 Ų | 73.1 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.6 | -173.1 | -69.3 | -84.8 | 0 | 0 | 0 | 113.9 | I443 L670 W671 D732 R733 | I443-Y736 HydrophobicContact CD1-CD2 4.38Å; L670-Y736 HydrophobicContact CD1-CE1 4.04Å; L670-Y736 HydrophobicContact CD2-CE1 3.64Å; L670-Y736 HydrophobicContact CG-CD1 4.2Å; L670-Y736 HydrophobicContact CG-CE1 3.55Å; W671-Y736 AromaticContact CD2-CD1 4Å; W671-Y736 HydrophobicContact CD2-CD1 4Å; W671-Y736 AromaticContact CE2-CD1 3.92Å; W671-Y736 HydrophobicContact CE3-CD1 4.33Å; W671-Y736 HydrophobicContact CG-CD1 4.38Å; W671-Y736 HydrophobicContact CZ2-CD1 4.22Å; D732-Y736 CarbonylContact O-C 3.6Å; D732-Y736 WeakPolarHBondContact O-CA 3.4Å; D732-Y736 PolarHBondContact O-N 3.34Å; R733-Y736 WeakPolarHBondContact O-CD2 3.37Å; R733-Y736 WeakPolarHBondContact O-CE2 3.08Å |
| 737 | I | 90.9 | Very high | 89.2 | Confident | 47 Ų | 47 | 74.1 Ų | 74.1 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.7 | 179.3 | 63.4 | 177.5 | 0 | 0 | 0 | 112.3 | C711 D732 Q735 | C711-I737 HydrophobicContact CB-CB 4.19Å; C711-I737 HydrophobicContact CB-CG2 4.45Å; D732-I737 HydrophobicContact CB-CD1 4.5Å; D732-I737 HydrophobicContact CB-CG1 3.69Å; D732-I737 PolarHBondContact N-O 3.44Å; D732-I737 PolarHBondContact O-N 2.95Å; D732-I737 VanDerWaalsContact O-N 3.15Å; Q735-I737 HydrophobicContact CB-CD1 4.26Å; Q735-I737 HydrophobicContact CB-CG1 4.04Å; Q735-I737 HydrophobicContact CB-CG2 4.19Å; Q735-I737 WeakPolarHBondContact O-CG2 3.5Å; Q735-I737 PolarHBondContact O-N 3.08Å |
| 738 | L | 93.7 | Very high | 89 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.3 | 171.8 | -177.7 | 153.7 | 0 | 0 | 0 | 110.6 | L708 C710 C711 Y719 A724 C729 H730 L731 C740 | L708-L738 HydrophobicContact CB-CD1 3.89Å; L708-L738 HydrophobicContact CD2-CD1 3.93Å; C710-L738 CarbonylContact C-O 3.53Å; C710-L738 WeakPolarHBondContact CA-O 3.23Å; C710-L738 HydrophobicContact CB-CD2 3.87Å; C711-L738 PolarHBondContact N-O 2.88Å; Y719-L738 HydrophobicContact CD2-CD1 4.17Å; Y719-L738 HydrophobicContact CD2-CD2 4.11Å; Y719-L738 HydrophobicContact CE2-CD2 4.28Å; A724-L738 HydrophobicContact CB-CD1 3.46Å; A724-L738 VanDerWaalsContact CB-CD1 3.46Å; C729-L738 HydrophobicContact CB-CD1 4.12Å; C729-L738 HydrophobicContact CB-CD2 4.24Å; C729-L738 HydrophobicContact CB-CG 4.06Å; H730-L738 WeakPolarHBondContact O-CA 3.03Å; L731-L738 HydrophobicContact CD2-CB 4.49Å; L731-L738 HydrophobicContact CD2-CD1 4.1Å; L731-L738 HydrophobicContact CD2-CG 4.44Å; L738-C740 HydrophobicContact CD2-CB 4.35Å |
| 739 | L | 94.8 | Very high | 88.7 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.9 | 161.8 | -65.4 | 176.7 | 0 | 0 | 0 | 108.9 | C711 N712 C729 H730 H744 | C711-L739 HydrophobicContact CB-CD2 4.27Å; N712-L739 HydrophobicContact CB-CD2 4.47Å; C729-L739 CarbonylContact C-O 3.46Å; C729-L739 WeakPolarHBondContact CA-O 3.29Å; H730-L739 HydrophobicContact CB-CB 4.28Å; H730-L739 PolarHBondContact N-O 3.14Å; H730-L739 PolarHBondContact O-N 2.93Å; L739-H744 HydrophobicContact CB-CB 4.38Å |
| 740 | C | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -66 | 157 | 176.9 | 67.8 | 0 | 0 | 0 | 0 | 110.5 | C710 L717 Y719 L738 K742 H743 H744 | C710-C740 HydrophobicContact CB-CB 4.13Å; C710-C740 PolarHBondContact SG-N 3.06Å; C710-C740 VanDerWaalsContact SG-N 3.38Å; L717-C740 HydrophobicContact CD1-CB 4.32Å; Y719-C740 HydrophobicContact CE2-CB 3.89Å; L738-C740 HydrophobicContact CD2-CB 4.35Å; C740-K742 PolarHBondContact O-N 2.98Å; C740-H743 PolarHBondContact O-N 2.7Å; C740-H743 PolarHBondContact SG-ND1 3.23Å; C740-H743 VanDerWaalsContact SG-ND1 3.37Å; C740-H744 PolarHBondContact O-N 3.29Å | ||
| 741 | K | 92.7 | Very high | 88.1 | Confident | 84 Ų | 84 | 78.1 Ų | 78.1 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -45.8 | -37.4 | -178.3 | -166.1 | 174.2 | -164.2 | 170.1 | 0 | 113.8 | E728 H743 I745 | E728-K741 HydrophobicContact CB-CD 4.14Å; E728-K741 IonicContact OE1-NZ 2.71Å; E728-K741 PolarHBondContact OE1-NZ 3.47Å; E728-K741 VanDerWaalsContact OE2-CE 3.23Å; E728-K741 WeakPolarHBondContact OE2-CE 3.31Å; E728-K741 IonicContact OE2-NZ 2.65Å; E728-K741 PolarHBondContact OE2-NZ 3.07Å; K741-H743 VanDerWaalsContact C-N 3.33Å; K741-H743 PolarHBondContact O-N 3.1Å; K741-I745 HydrophobicContact CG-CD1 4.04Å; K741-I745 VanDerWaalsContact O-CD1 3.31Å; K741-I745 WeakPolarHBondContact O-CD1 3.33Å; K741-I745 VanDerWaalsContact O-CG1 3.26Å; K741-I745 WeakPolarHBondContact O-CG1 3.43Å; K741-I745 PolarHBondContact O-N 3.17Å |
| 742 | K | 91.4 | Very high | 87.7 | Confident | 140 Ų | 140 | 80.4 Ų | 80.4 | 61% | 0.609 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.6 | -30.3 | 176.6 | -65.9 | -173.8 | -179.2 | -180 | 0 | 114.8 | L717 C740 Y746 | L717-K742 HydrophobicContact CD1-CD 4.17Å; C740-K742 PolarHBondContact O-N 2.98Å; K742-Y746 WeakPolarHBondContact O-CD2 3.23Å |
| 743 | H | 93.2 | Very high | 87.5 | Confident | 45 Ų | 45 | 84 Ų | 84 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -102.2 | -29.4 | -176.4 | -66.4 | 131.4 | 0 | 0 | 0 | 113 | C710 N712 C715 C740 K741 I745 Y746 S747 | C710-H743 PolarHBondContact SG-ND1 3.11Å; N712-H743 HydrophobicContact CB-CB 4.12Å; N712-H743 PolarHBondContact ND2-CD2 3.34Å; N712-H743 PolarHBondContact ND2-CE1 2.93Å; N712-H743 PolarHBondContact ND2-NE2 3.05Å; C715-H743 PolarHBondContact SG-CE1 2.79Å; C740-H743 PolarHBondContact O-N 2.7Å; C740-H743 PolarHBondContact SG-ND1 3.23Å; C740-H743 VanDerWaalsContact SG-ND1 3.37Å; K741-H743 VanDerWaalsContact C-N 3.33Å; K741-H743 PolarHBondContact O-N 3.1Å; H743-I745 PolarHBondContact O-N 2.97Å; H743-Y746 CarbonylContact O-C 3.59Å; H743-Y746 PolarHBondContact O-N 3.31Å; H743-Y746 VanDerWaalsContact O-N 3.09Å; H743-S747 WeakPolarHBondContact O-CB 3.28Å; H743-S747 PolarHBondContact O-N 3.16Å; H743-S747 PolarHBondContact O-OG 3.36Å |
| 744 | H | 89 | Confident | 87.4 | Confident | 84 Ų | 84 | 84.4 Ų | 84.4 | 39% | 0.389 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.7 | -30.2 | 169.8 | 179.7 | -129.8 | 0 | 0 | 0 | 112.8 | H730 L739 C740 Y746 S747 | H730-H744 HydrophobicContact CB-CB 3.96Å; H730-H744 AromaticContact CE1-NE2 3.89Å; H730-H744 AromaticContact CG-CD2 3.64Å; H730-H744 AromaticContact CG-NE2 3.78Å; H730-H744 AromaticContact ND1-CD2 3.25Å; H730-H744 PolarHBondContact ND1-CD2 3.42Å; H730-H744 AromaticContact ND1-CE1 3.74Å; H730-H744 AromaticContact ND1-NE2 2.96Å; H730-H744 PolarHBondContact ND1-NE2 2.98Å; L739-H744 HydrophobicContact CB-CB 4.38Å; C740-H744 PolarHBondContact O-N 3.29Å; H744-Y746 VanDerWaalsContact C-N 3.25Å; H744-Y746 PolarHBondContact O-N 2.83Å; H744-S747 PolarHBondContact O-OG 3.43Å |
| 745 | I | 81.9 | Confident | 87.4 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 54% | 0.544 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.3 | 176.3 | -67.4 | 169.4 | 0 | 0 | 0 | 112.6 | K741 H743 | K741-I745 HydrophobicContact CG-CD1 4.04Å; K741-I745 VanDerWaalsContact O-CD1 3.31Å; K741-I745 WeakPolarHBondContact O-CD1 3.33Å; K741-I745 VanDerWaalsContact O-CG1 3.26Å; K741-I745 WeakPolarHBondContact O-CG1 3.43Å; K741-I745 PolarHBondContact O-N 3.17Å; H743-I745 PolarHBondContact O-N 2.97Å |
| 746 | Y | 74.1 | Confident | 87.5 | Confident | 200 Ų | 200 | 77.8 Ų | 77.8 | 78% | 0.784 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 18.4 | -176.5 | -59.4 | -49.9 | 0 | 0 | 0 | 113.6 | K742 H743 H744 | K742-Y746 WeakPolarHBondContact O-CD2 3.23Å; H743-Y746 CarbonylContact O-C 3.59Å; H743-Y746 PolarHBondContact O-N 3.31Å; H743-Y746 VanDerWaalsContact O-N 3.09Å; H744-Y746 VanDerWaalsContact C-N 3.25Å; H744-Y746 PolarHBondContact O-N 2.83Å |
| 747 | S | 64.2 | Low | 87.4 | Confident | 124 Ų | 124 | 78.9 Ų | 78.9 | 87% | 0.867 | 38% | 0.382 | S | S | * | . | trans | -104.8 | 0 | 177.1 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | H743 H744 | H743-S747 WeakPolarHBondContact O-CB 3.28Å; H743-S747 PolarHBondContact O-N 3.16Å; H743-S747 PolarHBondContact O-OG 3.36Å; H744-S747 PolarHBondContact O-OG 3.43Å |
Retrieved 747 of 747 residues in 289 ms
(Link to these results)