| 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 | Very low | 42 | Very low | 228 Ų | 228 | 184.8 Ų | 184.8 | 100% | 1.123 | 87% | 0.871 | S | S | * | * | 0 | 168.6 | 0 | -84.7 | 179.2 | 67.8 | 0 | 0 | 109.9 | |||||
| 2 | Q | 41.6 | Very low | 41.3 | Very low | 173 Ų | 173 | 180.6 Ų | 180.6 | 81% | 0.808 | 85% | 0.851 | S | S | * | * | trans | 74.9 | 74.6 | 168.8 | -69.4 | 168.2 | -21.2 | 0 | 0 | 118.2 | ||||
| 3 | L | 40.4 | Very low | 40.9 | Very low | 170 Ų | 170 | 179.5 Ų | 179.5 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | 13.1 | 114.7 | 121 | -63.4 | 163.8 | 0 | 0 | 0 | 116.6 | |||||
| 4 | R | 50 | Low | 40.3 | Very low | 249 Ų | 249 | 173 Ų | 173 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 124.2 | 154.3 | -82.1 | -172.7 | 174 | 133.5 | 0.8 | 109.7 | ||
| 5 | K | 45.3 | Very low | 39.6 | Very low | 198 Ų | 198 | 169.6 Ų | 169.6 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 147.5 | -179.2 | -70.3 | 176.1 | 174.1 | 177.1 | 0 | 111.4 | ||
| 6 | M | 39.5 | Very low | 39.4 | Very low | 182 Ų | 182 | 168.7 Ų | 168.7 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 148.1 | 160.1 | -63.1 | -176.4 | 71.6 | 0 | 0 | 110.3 | ||
| 7 | Q | 47 | Very low | 39.1 | Very low | 191 Ų | 191 | 167.1 Ų | 167.1 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -113 | 134.1 | 160.8 | -85.8 | -176.3 | -21.3 | 0 | 0 | 110.7 | ||||
| 8 | T | 37.8 | Very low | 38.7 | Very low | 135 Ų | 135 | 162.9 Ų | 162.9 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | -88 | 139.4 | 178 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 9 | I | 39.5 | Very low | 38.2 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -129.1 | 130.2 | 163.6 | -58 | 178.5 | 0 | 0 | 0 | 108.1 | ||||
| 10 | K | 41 | Very low | 37.9 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | -147.3 | 125.4 | -174 | 169.9 | -177.3 | 173.3 | -176.5 | 0 | 110.8 | ||||
| 11 | K | 35.7 | Very low | 37.5 | Very low | 152 Ų | 152 | 158 Ų | 158 | 66% | 0.661 | 83% | 0.826 | S | S | * | * | trans | 58.1 | 156.9 | 164.7 | -86.5 | -167.8 | 146.3 | -155.1 | 0 | 116.7 | ||||
| 12 | E | 33.8 | Very low | 37.1 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | cis | -141.9 | 150 | 4 | -116.1 | 158.9 | 167.2 | 0 | 0 | 107.7 | ||||
| 13 | Q | 36.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 61.6 | 131.9 | 83.4 | -140.4 | 157.4 | -8.3 | 0 | 0 | 112.6 | |||||
| 14 | A | 31.9 | Very low | 36.6 | Very low | 89 Ų | 89 | 152.6 Ų | 152.6 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | cis | -158.9 | 167.2 | 19.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 15 | S | 29.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -171.9 | 149.8 | 127.3 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 16 | L | 37 | Very low | 35.7 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -89.4 | 179.3 | 170.9 | -63.4 | 126 | 0 | 0 | 0 | 109.3 | ||||
| 17 | D | 34.5 | Very low | 35.4 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | cis | -166.8 | -176.6 | 21.8 | -141.2 | -32 | 0 | 0 | 0 | 113.1 | ||||
| 18 | A | 31.5 | Very low | 34.7 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | 83.8 | 139.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 19 | S | 28.8 | Very low | 34.4 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | cis | -148.5 | 165.9 | 11.7 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 20 | S | 32.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -113 | 151.9 | -173.8 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 21 | N | 29.4 | Very low | 33.9 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | -167 | 166.9 | 124.7 | -132.6 | -61.1 | 0 | 0 | 0 | 112.9 | |||||
| 22 | V | 34.8 | Very low | 34 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -131 | 168.6 | -168.9 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 23 | D | 35.6 | Very low | 34 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 80.6 | 113.3 | 162.1 | -68.9 | -43.7 | 0 | 0 | 0 | 122.3 | ||||
| 24 | K | 37.4 | Very low | 34.1 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | -172.9 | 110.2 | 123.6 | -96.8 | 159.7 | -174.1 | 176.2 | 0 | 107.4 | |||||
| 25 | M | 34.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | 102.3 | 134.6 | 51.6 | 179.9 | -172.1 | 161.3 | 0 | 0 | 111.4 | |||||
| 26 | M | 40.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | trans | 71.5 | 152.8 | 177.7 | -63.9 | -145.2 | 162.9 | 0 | 0 | 116.5 | ||||
| 27 | V | 34 | Very low | 34.6 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | -170.4 | 148 | -8.7 | 132.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 28 | L | 32.6 | Very low | 34.5 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | cis | -153.4 | 172.4 | 0.3 | -126.7 | 175.3 | 0 | 0 | 0 | 108.7 | ||||
| 29 | N | 31.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -164.6 | 121 | 155.8 | -112.4 | -18.7 | 0 | 0 | 0 | 111.3 | ||||
| 30 | S | 37.2 | Very low | 34.5 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 177.5 | 124.1 | 157.9 | -84.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 31 | A | 32.3 | Very low | 34.6 | Very low | 105 Ų | 105 | 140 Ų | 140 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -164.2 | 111.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 32 | L | 37.9 | Very low | 34.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -88.8 | 158.2 | 168.3 | -84 | 162.9 | 0 | 0 | 0 | 110 | ||||
| 33 | T | 32.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -148.6 | 123 | 145.7 | -44.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 34 | E | 39 | Very low | 35.2 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -112.8 | -170.8 | 174.3 | -65 | -162.2 | 158.4 | 0 | 0 | 110.9 | ||||
| 35 | V | 36.7 | Very low | 35.6 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 110.8 | 127.5 | 179.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 36 | S | 32.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -161.5 | 173.8 | -5.9 | 176 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 37 | E | 39.8 | Very low | 35.6 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 156.3 | -168.2 | -43 | -176.7 | 150 | 0 | 0 | 115.6 | ||||
| 38 | D | 33.3 | Very low | 35.8 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 163.1 | 143.9 | 97.1 | -164.2 | 21.1 | 0 | 0 | 0 | 115.5 | |||||
| 39 | S | 31.3 | Very low | 36 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 57% | 0.566 | 80% | 0.797 | S | S | * | * | trans | 49.8 | 137.7 | 147.4 | -77.2 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 40 | T | 29.2 | Very low | 36.2 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 96.5 | 118.1 | 142.2 | 61.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 41 | T | 34.9 | Very low | 36.2 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 22.8 | 132.9 | 142.9 | 48.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 42 | G | 32.8 | Very low | 36.8 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 151.8 | 117.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 43 | E | 43 | Very low | 37 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | 63.1 | 143.6 | 68 | -74 | -68.9 | 168.6 | 0 | 0 | 114.9 | |||||
| 44 | E | 36 | Very low | 38 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | 63.7 | 125.3 | -165.9 | -76 | -169.1 | 131.9 | 0 | 0 | 116 | ||||
| 45 | L | 45.3 | Very low | 38.2 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | cis | 65.9 | 90.7 | 24.3 | -140.9 | 177 | 0 | 0 | 0 | 113 | ||||
| 46 | L | 39.1 | Very low | 39 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | 173.5 | 147.1 | 124.7 | -93.1 | 173.7 | 0 | 0 | 0 | 116.3 | |||||
| 47 | L | 37.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 76.5 | 111.6 | 148.3 | -65.8 | 166.1 | 0 | 0 | 0 | 123.3 | ||||
| 48 | S | 38.6 | Very low | 40.7 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -55.8 | 130.4 | 149.7 | 155 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 49 | E | 35.4 | Very low | 42 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | 177.3 | 147.6 | 123.4 | -97.8 | -168.4 | 162.3 | 0 | 0 | 107.5 | |||||
| 50 | G | 36.1 | Very low | 43.4 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | 179 | 145 | -8.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 51 | S | 36.9 | Very low | 45.3 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -149.4 | 129.2 | 173.8 | -167.1 | 0 | 0 | 0 | 0 | 113.7 | G53 | S51-G53 PolarHBondContact O-N 3.29Š| ||
| 52 | V | 46.4 | Very low | 47.4 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -85.5 | 101.4 | -174.7 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | K54 | V52-K54 HydrophobicContact CG1-CG 4.2Š| ||
| 53 | G | 41.7 | Very low | 49.5 | Very low | 60 Ų | 60 | 146.5 Ų | 146.5 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | -100.9 | 80.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S51 N55 | S51-G53 PolarHBondContact O-N 3.29Å; G53-N55 PolarHBondContact O-N 3.2Å; G53-N55 PolarHBondContact O-OD1 3.1Å | ||
| 54 | K | 51.8 | Low | 51.6 | Low | 191 Ų | 191 | 149 Ų | 149 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 70.8 | 173.4 | -84.1 | -178.3 | 178.3 | 168.7 | 0 | 111.5 | V52 K56 | V52-K54 HydrophobicContact CG1-CG 4.2Å; K54-K56 PolarHBondContact O-N 3Å | ||
| 55 | N | 43.4 | Very low | 53.9 | Low | 133 Ų | 133 | 149.5 Ų | 149.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -90 | 90 | -179.4 | -61.9 | 23 | 0 | 0 | 0 | 109.4 | G53 S57 | G53-N55 PolarHBondContact O-N 3.2Å; G53-N55 PolarHBondContact O-OD1 3.1Å; N55-S57 PolarHBondContact O-N 3.15Å | ||
| 56 | K | 55 | Low | 55.7 | Low | 217 Ų | 217 | 149.6 Ų | 149.6 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 64.9 | 165.6 | -72.7 | -178 | 178.1 | 176.4 | 0 | 110.1 | K54 | K54-K56 PolarHBondContact O-N 3Š| ||
| 57 | S | 54.1 | Low | 57.9 | Low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | -92.8 | 135.8 | 170.5 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | N55 | N55-S57 PolarHBondContact O-N 3.15Š| ||
| 58 | S | 54 | Low | 60.5 | Low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -24.4 | 139.7 | 171.1 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | C60 | S58-C60 PolarHBondContact O-N 3.09Š| ||
| 59 | A | 58.8 | Low | 62.6 | Low | 105 Ų | 105 | 142.3 Ų | 142.3 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -60.2 | 69.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R61 | A59-R61 PolarHBondContact O-N 3Å; A59-R61 VanDerWaalsContact O-N 3.11Å | ||
| 60 | C | 62.1 | Low | 65.2 | Low | 104 Ų | 104 | 141.3 Ų | 141.3 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | -71.2 | 102.1 | 164.2 | -173.7 | 0 | 0 | 0 | 0 | 107.1 | S58 R62 | S58-C60 PolarHBondContact O-N 3.09Å; C60-R62 PolarHBondContact O-N 3.16Å; C60-R62 VanDerWaalsContact O-N 3.1Å | ||
| 61 | R | 68.6 | Low | 67.7 | Low | 227 Ų | 227 | 145 Ų | 145 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -53.2 | 121.2 | 174.1 | -63.6 | -178.1 | -179.7 | -149.6 | -2.6 | 107.8 | A59 K63 | A59-R61 PolarHBondContact O-N 3Å; A59-R61 VanDerWaalsContact O-N 3.11Å; R61-K63 PolarHBondContact O-N 3.4Å; R61-K63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | R | 78.9 | Confident | 70.4 | Confident | 239 Ų | 239 | 140.8 Ų | 140.8 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | trans | -44.9 | 123.3 | 175 | -78.5 | -173 | -76 | 146.5 | -6.8 | 108.4 | C60 R64 | C60-R62 PolarHBondContact O-N 3.16Å; C60-R62 VanDerWaalsContact O-N 3.1Å; R62-R64 PolarHBondContact O-N 2.98Å | ||
| 63 | K | 77.7 | Confident | 72.8 | Confident | 180 Ų | 180 | 138.8 Ų | 138.8 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -57.2 | 132.4 | 178.4 | -71.1 | -74.9 | -175.3 | 165.6 | 0 | 107.1 | R61 E65 | R61-K63 PolarHBondContact O-N 3.4Å; R61-K63 VanDerWaalsContact O-N 3.11Å; K63-E65 PolarHBondContact O-N 3.43Å | ||
| 64 | R | 86.4 | Confident | 75.3 | Confident | 245 Ų | 245 | 139.9 Ų | 139.9 | 93% | 0.925 | 69% | 0.691 | S | S | * | * | trans | -81.8 | 90.6 | -175 | -164.6 | 177.7 | -170 | -174.9 | 2 | 107.3 | R62 F66 | R62-R64 PolarHBondContact O-N 2.98Å; R64-F66 PolarHBondContact O-N 2.76Å | ||
| 65 | E | 85.3 | Confident | 77.4 | Confident | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127 | 173.8 | -72.2 | 167.9 | -151.6 | 0 | 0 | 109 | K63 | K63-E65 PolarHBondContact O-N 3.43Š|
| 66 | F | 82.8 | Confident | 79.8 | Confident | 147 Ų | 147 | 132.1 Ų | 132.1 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 139.5 | 173.1 | -164.2 | -102.6 | 0 | 0 | 0 | 107.7 | R64 P68 K72 | R64-F66 PolarHBondContact O-N 2.76Å; F66-P68 VanDerWaalsContact O-CD 3.3Å; F66-P68 WeakPolarHBondContact O-CD 3.38Å; F66-K72 VanDerWaalsContact CE1-NZ 3.33Å |
| 67 | I | 84.8 | Confident | 81.8 | Confident | 73 Ų | 73 | 128.1 Ų | 128.1 | 37% | 0.374 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -71 | 120 | 175.8 | -71 | 168.3 | 0 | 0 | 0 | 107.1 | K71 K72 Y76 | I67-K71 HydrophobicContact CG2-CB 3.79Å; I67-K72 HydrophobicContact CG2-CG 4.06Å; I67-K72 WeakPolarHBondContact O-CE 3.39Å; I67-Y76 HydrophobicContact CB-CE2 4.38Å; I67-Y76 HydrophobicContact CD1-CD2 3.55Å; I67-Y76 HydrophobicContact CD1-CE2 3.63Å |
| 68 | P | 91.2 | Very high | 83.8 | Confident | 60 Ų | 60 | 127.1 Ų | 127.1 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 150 | 176.8 | -25 | 34.9 | 0 | 0 | 0 | 111.3 | F66 E70 K71 K72 | F66-P68 VanDerWaalsContact O-CD 3.3Å; F66-P68 WeakPolarHBondContact O-CD 3.38Å; P68-E70 WeakPolarHBondContact CB-OE2 3.46Å; P68-E70 PolarHBondContact O-N 3.15Å; P68-K71 HydrophobicContact CG-CD 4.47Å; P68-K71 WeakPolarHBondContact O-CA 3.29Å; P68-K71 PolarHBondContact O-N 3.11Å; P68-K72 PolarHBondContact O-N 3.19Å |
| 69 | D | 84.5 | Confident | 85.9 | Confident | 109 Ų | 109 | 128.6 Ų | 128.6 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -62.2 | -31.9 | -171.8 | -71.5 | -32.5 | 0 | 0 | 0 | 112.2 | K71 K72 | D69-K71 PolarHBondContact O-N 3.48Å; D69-K72 PolarHBondContact O-N 2.85Å; D69-K72 WeakPolarHBondContact OD1-CD 3.48Å; D69-K72 WeakPolarHBondContact OD1-CE 3.44Å; D69-K72 IonicContact OD1-NZ 2.7Å; D69-K72 PolarHBondContact OD1-NZ 2.93Å |
| 70 | E | 89.9 | Confident | 87.7 | Confident | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -65.3 | -17.4 | 175.4 | -48.6 | 74.8 | -162.5 | 0 | 0 | 112.9 | P68 | P68-E70 WeakPolarHBondContact CB-OE2 3.46Å; P68-E70 PolarHBondContact O-N 3.15Å |
| 71 | K | 88.1 | Confident | 89.4 | Confident | 151 Ų | 151 | 130.4 Ų | 130.4 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -107.9 | 7.1 | -179.6 | -62.9 | -176.3 | -177.9 | 178 | 0 | 113 | I67 P68 D69 D73 | I67-K71 HydrophobicContact CG2-CB 3.79Å; P68-K71 HydrophobicContact CG-CD 4.47Å; P68-K71 WeakPolarHBondContact O-CA 3.29Å; P68-K71 PolarHBondContact O-N 3.11Å; D69-K71 PolarHBondContact O-N 3.48Å; K71-D73 VanDerWaalsContact C-N 3.32Å; K71-D73 PolarHBondContact O-N 2.87Å; K71-D73 VanDerWaalsContact O-N 3.1Å |
| 72 | K | 94.1 | Very high | 90.8 | Very high | 38 Ų | 38 | 125.1 Ų | 125.1 | 17% | 0.165 | 56% | 0.564 | C | S | . | * | trans | -84.9 | 72.8 | 176.6 | -67.8 | -177.5 | 178.9 | 170.2 | 0 | 111.4 | F66 I67 P68 D69 Y76 W77 | F66-K72 VanDerWaalsContact CE1-NZ 3.33Å; I67-K72 HydrophobicContact CG2-CG 4.06Å; I67-K72 WeakPolarHBondContact O-CE 3.39Å; P68-K72 PolarHBondContact O-N 3.19Å; D69-K72 PolarHBondContact O-N 2.85Å; D69-K72 WeakPolarHBondContact OD1-CD 3.48Å; D69-K72 WeakPolarHBondContact OD1-CE 3.44Å; D69-K72 IonicContact OD1-NZ 2.7Å; D69-K72 PolarHBondContact OD1-NZ 2.93Å; K72-Y76 HydrophobicContact CB-CD1 3.74Å; K72-Y76 HydrophobicContact CB-CE1 4.13Å; K72-Y76 HydrophobicContact CB-CG 4.5Å; K72-Y76 HydrophobicContact CD-CD1 4.28Å; K72-Y76 HydrophobicContact CD-CE1 3.81Å; K72-Y76 HydrophobicContact CG-CD1 3.73Å; K72-Y76 HydrophobicContact CG-CE1 3.68Å; K72-Y76 HydrophobicContact CG-CG 4.46Å; K72-W77 HydrophobicContact CB-CZ2 4.25Å; K72-W77 HydrophobicContact CD-CH2 4.3Å; K72-W77 HydrophobicContact CD-CZ2 3.75Å; K72-W77 PolarHBondContact O-NE1 3.16Å; K72-W77 VanDerWaalsContact O-NE1 3.15Å | ||
| 73 | D | 95.3 | Very high | 91.8 | Very high | 84 Ų | 84 | 118.3 Ų | 118.3 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | trans | -69 | 172.4 | 176.8 | 73.9 | -19.1 | 0 | 0 | 0 | 113.6 | K71 M75 Y76 W77 | K71-D73 VanDerWaalsContact C-N 3.32Å; K71-D73 PolarHBondContact O-N 2.87Å; K71-D73 VanDerWaalsContact O-N 3.1Å; D73-M75 PolarHBondContact O-N 3.2Å; D73-M75 WeakPolarHBondContact OD2-CB 3.29Å; D73-Y76 WeakPolarHBondContact O-CB 3.39Å; D73-Y76 PolarHBondContact O-N 3.3Å; D73-Y76 VanDerWaalsContact O-N 3.14Å; D73-Y76 WeakPolarHBondContact OD1-CA 3.48Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.43Å; D73-Y76 PolarHBondContact OD1-N 3.33Å; D73-W77 PolarHBondContact O-N 3.02Å; D73-W77 VanDerWaalsContact O-N 3.11Å | ||
| 74 | A | 95.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 113.7 Ų | 113.7 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.8 | -34.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W77 E78 | A74-W77 PolarHBondContact O-N 3.28Å; A74-E78 PolarHBondContact O-N 3.08Å |
| 75 | M | 95 | Very high | 93.3 | Very high | 122 Ų | 122 | 106.7 Ų | 106.7 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68 | -37.6 | 176.7 | -61.1 | -169.4 | 74.6 | 0 | 0 | 112.3 | D73 K79 | D73-M75 PolarHBondContact O-N 3.2Å; D73-M75 WeakPolarHBondContact OD2-CB 3.29Å; M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 VanDerWaalsContact O-CG 3.24Å; M75-K79 WeakPolarHBondContact O-CG 3.27Å; M75-K79 PolarHBondContact O-N 3.27Å |
| 76 | Y | 95.1 | Very high | 94 | Very high | 38 Ų | 38 | 100.5 Ų | 100.5 | 15% | 0.149 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 172.5 | 168.3 | -96.8 | 0 | 0 | 0 | 110.8 | I67 K72 D73 E78 K79 R80 | I67-Y76 HydrophobicContact CB-CE2 4.38Å; I67-Y76 HydrophobicContact CD1-CD2 3.55Å; I67-Y76 HydrophobicContact CD1-CE2 3.63Å; K72-Y76 HydrophobicContact CB-CD1 3.74Å; K72-Y76 HydrophobicContact CB-CE1 4.13Å; K72-Y76 HydrophobicContact CB-CG 4.5Å; K72-Y76 HydrophobicContact CD-CD1 4.28Å; K72-Y76 HydrophobicContact CD-CE1 3.81Å; K72-Y76 HydrophobicContact CG-CD1 3.73Å; K72-Y76 HydrophobicContact CG-CE1 3.68Å; K72-Y76 HydrophobicContact CG-CG 4.46Å; D73-Y76 WeakPolarHBondContact O-CB 3.39Å; D73-Y76 PolarHBondContact O-N 3.3Å; D73-Y76 VanDerWaalsContact O-N 3.14Å; D73-Y76 WeakPolarHBondContact OD1-CA 3.48Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.43Å; D73-Y76 PolarHBondContact OD1-N 3.33Å; Y76-E78 VanDerWaalsContact C-N 3.32Å; Y76-E78 PolarHBondContact O-N 2.95Å; Y76-K79 PolarHBondContact O-N 3.16Å; Y76-R80 VanDerWaalsContact O-CB 3.32Å; Y76-R80 WeakPolarHBondContact O-CB 3.47Å; Y76-R80 PolarHBondContact O-N 3.2Å |
| 77 | W | 95.6 | Very high | 94.7 | Very high | 134 Ų | 134 | 95.2 Ų | 95.2 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 179.6 | -72.7 | 113.7 | 0 | 0 | 0 | 112.4 | K72 D73 A74 R80 R81 | K72-W77 HydrophobicContact CB-CZ2 4.25Å; K72-W77 HydrophobicContact CD-CH2 4.3Å; K72-W77 HydrophobicContact CD-CZ2 3.75Å; K72-W77 PolarHBondContact O-NE1 3.16Å; K72-W77 VanDerWaalsContact O-NE1 3.15Å; D73-W77 PolarHBondContact O-N 3.02Å; D73-W77 VanDerWaalsContact O-N 3.11Å; A74-W77 PolarHBondContact O-N 3.28Å; W77-R80 WeakPolarHBondContact O-CB 3.27Å; W77-R80 PolarHBondContact O-N 3.45Å; W77-R81 WeakPolarHBondContact O-CB 3.5Å; W77-R81 PolarHBondContact O-N 2.82Å |
| 78 | E | 97.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 99.4 Ų | 99.4 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 173.1 | 179 | 137.5 | -78.3 | 0 | 0 | 112.8 | A74 Y76 R80 R81 K82 | A74-E78 PolarHBondContact O-N 3.08Å; Y76-E78 VanDerWaalsContact C-N 3.32Å; Y76-E78 PolarHBondContact O-N 2.95Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 3.02Å; E78-R81 PolarHBondContact O-N 3Å; E78-R81 IonicContact OE1-CZ 3.71Å; E78-R81 IonicContact OE1-NH1 2.9Å; E78-R81 PolarHBondContact OE1-NH1 3.02Å; E78-R81 IonicContact OE1-NH2 3.24Å; E78-R81 PolarHBondContact OE1-NH2 3.33Å; E78-K82 VanDerWaalsContact CD-NZ 3.29Å; E78-K82 HydrophobicContact CG-CD 3.8Å; E78-K82 HydrophobicContact CG-CG 4.43Å; E78-K82 WeakPolarHBondContact O-CB 3.15Å; E78-K82 WeakPolarHBondContact O-CG 3.41Å; E78-K82 PolarHBondContact O-N 3.42Å; E78-K82 IonicContact OE2-NZ 2.76Å; E78-K82 PolarHBondContact OE2-NZ 3.27Å |
| 79 | K | 96.8 | Very high | 95.7 | Very high | 137 Ų | 137 | 103.3 Ų | 103.3 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59 | -39.9 | 173.6 | -74.1 | 166.7 | -176.8 | 169.5 | 0 | 111.3 | M75 Y76 N83 | M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 VanDerWaalsContact O-CG 3.24Å; M75-K79 WeakPolarHBondContact O-CG 3.27Å; M75-K79 PolarHBondContact O-N 3.27Å; Y76-K79 PolarHBondContact O-N 3.16Å; K79-N83 VanDerWaalsContact O-CB 3.31Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 3.19Å |
| 80 | R | 97.4 | Very high | 96.4 | Very high | 99 Ų | 99 | 101.3 Ų | 101.3 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 177.3 | -170 | 75.4 | -172.9 | 86.3 | 11.6 | 111.4 | Y76 W77 E78 N83 N84 | Y76-R80 VanDerWaalsContact O-CB 3.32Å; Y76-R80 WeakPolarHBondContact O-CB 3.47Å; Y76-R80 PolarHBondContact O-N 3.2Å; W77-R80 WeakPolarHBondContact O-CB 3.27Å; W77-R80 PolarHBondContact O-N 3.45Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 3.02Å; R80-N83 PolarHBondContact O-N 2.82Å; R80-N84 PolarHBondContact NH1-OD1 3.48Å; R80-N84 PolarHBondContact O-N 3.04Å |
| 81 | R | 98.3 | Very high | 96.8 | Very high | 148 Ų | 148 | 101.3 Ų | 101.3 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.7 | -53.3 | 175.2 | -155.8 | -163.9 | -44.3 | 123.5 | 7.3 | 110.9 | W77 E78 N83 N84 E85 | W77-R81 WeakPolarHBondContact O-CB 3.5Å; W77-R81 PolarHBondContact O-N 2.82Å; E78-R81 PolarHBondContact O-N 3Å; E78-R81 IonicContact OE1-CZ 3.71Å; E78-R81 IonicContact OE1-NH1 2.9Å; E78-R81 PolarHBondContact OE1-NH1 3.02Å; E78-R81 IonicContact OE1-NH2 3.24Å; E78-R81 PolarHBondContact OE1-NH2 3.33Å; R81-N83 VanDerWaalsContact C-N 3.33Å; R81-N83 PolarHBondContact O-N 3.34Å; R81-N84 PolarHBondContact O-N 3.29Å; R81-E85 PolarHBondContact O-N 3.42Å |
| 82 | K | 98.4 | Very high | 97.3 | Very high | 116 Ų | 116 | 98.5 Ų | 98.5 | 50% | 0.504 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 177.9 | -73.2 | 169.3 | 174.7 | 166.7 | 0 | 112 | E78 A86 | E78-K82 VanDerWaalsContact CD-NZ 3.29Å; E78-K82 HydrophobicContact CG-CD 3.8Å; E78-K82 HydrophobicContact CG-CG 4.43Å; E78-K82 WeakPolarHBondContact O-CB 3.15Å; E78-K82 WeakPolarHBondContact O-CG 3.41Å; E78-K82 PolarHBondContact O-N 3.42Å; E78-K82 IonicContact OE2-NZ 2.76Å; E78-K82 PolarHBondContact OE2-NZ 3.27Å; K82-A86 WeakPolarHBondContact O-CB 3.3Å; K82-A86 PolarHBondContact O-N 3.41Å |
| 83 | N | 98.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 176.1 | -178.8 | -108.2 | 0 | 0 | 0 | 113.4 | K79 R80 R81 E85 A86 A87 | K79-N83 VanDerWaalsContact O-CB 3.31Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 3.19Å; R80-N83 PolarHBondContact O-N 2.82Å; R81-N83 VanDerWaalsContact C-N 3.33Å; R81-N83 PolarHBondContact O-N 3.34Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-A86 PolarHBondContact O-N 3.43Å; N83-A87 WeakPolarHBondContact O-CB 3.33Å; N83-A87 PolarHBondContact O-N 3.49Å |
| 84 | N | 98.4 | Very high | 97.7 | Very high | 82 Ų | 82 | 107.8 Ų | 107.8 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.3 | -81.9 | -16.8 | 0 | 0 | 0 | 111.4 | R80 R81 A87 K88 | R80-N84 PolarHBondContact NH1-OD1 3.48Å; R80-N84 PolarHBondContact O-N 3.04Å; R81-N84 PolarHBondContact O-N 3.29Å; N84-A87 PolarHBondContact O-N 2.92Å; N84-K88 PolarHBondContact O-N 3.3Å |
| 85 | E | 98.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 111.1 Ų | 111.1 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 178.6 | -162.8 | -156.8 | -157.4 | 0 | 0 | 112 | R81 N83 A87 K88 R89 | R81-E85 PolarHBondContact O-N 3.42Å; N83-E85 VanDerWaalsContact C-N 3.34Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.44Å; E85-K88 PolarHBondContact O-N 3.33Å; E85-R89 PolarHBondContact O-N 3.14Å; E85-R89 IonicContact OE1-CZ 2.74Å; E85-R89 IonicContact OE1-NH1 2.75Å; E85-R89 IonicContact OE1-NH2 2.78Å; E85-R89 PolarHBondContact OE1-NH2 3.32Å; E85-R89 IonicContact OE2-CZ 3.41Å; E85-R89 VanDerWaalsContact OE2-CZ 3.23Å; E85-R89 IonicContact OE2-NH1 3.76Å; E85-R89 PolarHBondContact OE2-NH1 3.4Å; E85-R89 IonicContact OE2-NH2 2.59Å; E85-R89 PolarHBondContact OE2-NH2 2.98Å |
| 86 | A | 98.4 | Very high | 98 | Very high | 50 Ų | 50 | 110.6 Ų | 110.6 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K82 N83 S90 | K82-A86 WeakPolarHBondContact O-CB 3.3Å; K82-A86 PolarHBondContact O-N 3.41Å; N83-A86 PolarHBondContact O-N 3.43Å; A86-S90 WeakPolarHBondContact O-CB 3.46Å; A86-S90 PolarHBondContact O-N 3.39Å |
| 87 | A | 98.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 113 Ų | 113 | 31% | 0.306 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N83 N84 E85 S90 R91 | N83-A87 WeakPolarHBondContact O-CB 3.33Å; N83-A87 PolarHBondContact O-N 3.49Å; N84-A87 PolarHBondContact O-N 2.92Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.44Å; A87-S90 PolarHBondContact O-N 2.94Å; A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.21Å; A87-R91 PolarHBondContact O-N 3.39Å |
| 88 | K | 98.5 | Very high | 98.2 | Very high | 161 Ų | 161 | 110.5 Ų | 110.5 | 70% | 0.7 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -53.6 | 173.3 | -173 | 176.8 | 179.8 | 178.6 | 0 | 110.6 | N84 E85 S90 R91 E92 | N84-K88 PolarHBondContact O-N 3.3Å; E85-K88 PolarHBondContact O-N 3.33Å; K88-S90 VanDerWaalsContact C-N 3.31Å; K88-S90 PolarHBondContact O-N 2.98Å; K88-R91 PolarHBondContact O-N 3.17Å; K88-E92 PolarHBondContact O-N 3.47Å |
| 89 | R | 98.4 | Very high | 98.2 | Very high | 142 Ų | 142 | 110.6 Ų | 110.6 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.9 | -67.2 | -168 | -164.9 | 90 | -7.6 | 112.6 | E85 E92 K93 | E85-R89 PolarHBondContact O-N 3.14Å; E85-R89 IonicContact OE1-CZ 2.74Å; E85-R89 IonicContact OE1-NH1 2.75Å; E85-R89 IonicContact OE1-NH2 2.78Å; E85-R89 PolarHBondContact OE1-NH2 3.32Å; E85-R89 IonicContact OE2-CZ 3.41Å; E85-R89 VanDerWaalsContact OE2-CZ 3.23Å; E85-R89 IonicContact OE2-NH1 3.76Å; E85-R89 PolarHBondContact OE2-NH1 3.4Å; E85-R89 IonicContact OE2-NH2 2.59Å; E85-R89 PolarHBondContact OE2-NH2 2.98Å; R89-E92 PolarHBondContact O-N 3.44Å; R89-K93 WeakPolarHBondContact O-CB 3.48Å; R89-K93 PolarHBondContact O-N 2.88Å |
| 90 | S | 98.7 | Very high | 98.2 | Very high | 67 Ų | 67 | 107.8 Ų | 107.8 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -40 | 179.6 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | A86 A87 K88 R94 | A86-S90 WeakPolarHBondContact O-CB 3.46Å; A86-S90 PolarHBondContact O-N 3.39Å; A87-S90 PolarHBondContact O-N 2.94Å; K88-S90 VanDerWaalsContact C-N 3.31Å; K88-S90 PolarHBondContact O-N 2.98Å; S90-R94 PolarHBondContact O-N 3.41Å |
| 91 | R | 98.8 | Very high | 98.2 | Very high | 169 Ų | 169 | 107.8 Ų | 107.8 | 64% | 0.638 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 173.6 | -73.5 | 172.7 | 179.4 | -170.1 | -0.7 | 111.3 | A87 K88 R94 R95 | A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.21Å; A87-R91 PolarHBondContact O-N 3.39Å; K88-R91 PolarHBondContact O-N 3.17Å; R91-R94 WeakPolarHBondContact O-CB 3.29Å; R91-R94 PolarHBondContact O-N 3.1Å; R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.08Å |
| 92 | E | 98.4 | Very high | 98 | Very high | 93 Ų | 93 | 103.1 Ų | 103.1 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | -178.1 | -154.2 | 52.6 | -127 | 0 | 0 | 112.4 | K88 R89 R94 R95 L96 | K88-E92 PolarHBondContact O-N 3.47Å; R89-E92 PolarHBondContact O-N 3.44Å; E92-R94 PolarHBondContact O-N 3.45Å; E92-R95 PolarHBondContact O-N 3.41Å; E92-R95 WeakPolarHBondContact OE2-CD 3.26Å; E92-R95 IonicContact OE2-CZ 3.01Å; E92-R95 IonicContact OE2-NH1 2.69Å; E92-R95 PolarHBondContact OE2-NH1 3Å; E92-L96 PolarHBondContact O-N 3.33Å |
| 93 | K | 98.4 | Very high | 97.9 | Very high | 166 Ų | 166 | 100.8 Ų | 100.8 | 72% | 0.722 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.2 | -36.4 | 171.1 | -178.7 | 172.9 | 179.8 | 175.1 | 0 | 112.2 | R89 N97 | R89-K93 WeakPolarHBondContact O-CB 3.48Å; R89-K93 PolarHBondContact O-N 2.88Å; K93-N97 WeakPolarHBondContact O-CB 3.44Å; K93-N97 PolarHBondContact O-N 3.48Å; K93-N97 VanDerWaalsContact O-N 3.15Å |
| 94 | R | 98.5 | Very high | 97.8 | Very high | 151 Ų | 151 | 102.5 Ų | 102.5 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.2 | -51 | 175.1 | -171.6 | -175 | -63.6 | 137.6 | 5 | 111.1 | S90 R91 E92 L96 N97 D98 | S90-R94 PolarHBondContact O-N 3.41Å; R91-R94 WeakPolarHBondContact O-CB 3.29Å; R91-R94 PolarHBondContact O-N 3.1Å; E92-R94 PolarHBondContact O-N 3.45Å; R94-L96 VanDerWaalsContact C-N 3.3Å; R94-L96 PolarHBondContact O-N 3.38Å; R94-N97 CarbonylContact O-C 3.55Å; R94-N97 WeakPolarHBondContact O-CA 3.48Å; R94-N97 WeakPolarHBondContact O-CB 3Å; R94-N97 PolarHBondContact O-N 3.31Å; R94-D98 WeakPolarHBondContact CG-OD2 3.28Å; R94-D98 PolarHBondContact O-N 3.24Å |
| 95 | R | 98.4 | Very high | 97.7 | Very high | 154 Ų | 154 | 103 Ų | 103 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -53.3 | -46.2 | 178.3 | -72 | 167.3 | 170.1 | 172.8 | -12.2 | 112.5 | R91 E92 N97 D98 L99 | R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.08Å; E92-R95 PolarHBondContact O-N 3.41Å; E92-R95 WeakPolarHBondContact OE2-CD 3.26Å; E92-R95 IonicContact OE2-CZ 3.01Å; E92-R95 IonicContact OE2-NH1 2.69Å; E92-R95 PolarHBondContact OE2-NH1 3Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-N97 PolarHBondContact O-N 3.32Å; R95-D98 PolarHBondContact O-N 3.31Å; R95-L99 WeakPolarHBondContact O-CB 3.4Å; R95-L99 PolarHBondContact O-N 3.13Å |
| 96 | L | 97.9 | Very high | 97.5 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 176.2 | -178.6 | 61.3 | 0 | 0 | 0 | 112 | E92 R94 V100 | E92-L96 PolarHBondContact O-N 3.33Å; R94-L96 VanDerWaalsContact C-N 3.3Å; R94-L96 PolarHBondContact O-N 3.38Å; L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 WeakPolarHBondContact O-CB 3.39Å; L96-V100 VanDerWaalsContact O-CG2 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.37Å; L96-V100 PolarHBondContact O-N 3.32Å |
| 97 | N | 98.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 99 Ų | 99 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 176.1 | -178.6 | -136.9 | 0 | 0 | 0 | 112.3 | K93 R94 R95 V100 L101 | K93-N97 WeakPolarHBondContact O-CB 3.44Å; K93-N97 PolarHBondContact O-N 3.48Å; K93-N97 VanDerWaalsContact O-N 3.15Å; R94-N97 CarbonylContact O-C 3.55Å; R94-N97 WeakPolarHBondContact O-CA 3.48Å; R94-N97 WeakPolarHBondContact O-CB 3Å; R94-N97 PolarHBondContact O-N 3.31Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-N97 PolarHBondContact O-N 3.32Å; N97-V100 PolarHBondContact O-N 2.93Å; N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.31Å; N97-L101 PolarHBondContact O-N 3.08Å |
| 98 | D | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.6 | -59.7 | -25 | 0 | 0 | 0 | 110.1 | R94 R95 V100 L101 E102 | R94-D98 WeakPolarHBondContact CG-OD2 3.28Å; R94-D98 PolarHBondContact O-N 3.24Å; R95-D98 PolarHBondContact O-N 3.31Å; D98-V100 PolarHBondContact O-N 3.47Å; D98-L101 PolarHBondContact O-N 2.81Å; D98-E102 PolarHBondContact O-N 2.8Å |
| 99 | L | 96.9 | Very high | 97 | Very high | 74 Ų | 74 | 94.9 Ų | 94.9 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.5 | 177.5 | 62.8 | 0 | 0 | 0 | 113.3 | R95 L101 E102 N103 | R95-L99 WeakPolarHBondContact O-CB 3.4Å; R95-L99 PolarHBondContact O-N 3.13Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-E102 PolarHBondContact O-N 3.34Å; L99-N103 WeakPolarHBondContact O-CB 3.44Å; L99-N103 PolarHBondContact O-N 2.82Å; L99-N103 PolarHBondContact O-ND2 3.27Å |
| 100 | V | 97.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 93 Ų | 93 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 175.7 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | L96 N97 D98 K104 | L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 WeakPolarHBondContact O-CB 3.39Å; L96-V100 VanDerWaalsContact O-CG2 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.37Å; L96-V100 PolarHBondContact O-N 3.32Å; N97-V100 PolarHBondContact O-N 2.93Å; D98-V100 PolarHBondContact O-N 3.47Å; V100-K104 VanDerWaalsContact O-CB 3.28Å; V100-K104 WeakPolarHBondContact O-CB 3.5Å; V100-K104 PolarHBondContact O-N 2.99Å |
| 101 | L | 97.3 | Very high | 96.8 | Very high | 99 Ų | 99 | 95.2 Ų | 95.2 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 174.9 | -69.8 | 170.8 | 0 | 0 | 0 | 111.8 | N97 D98 L99 K104 L105 | N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.31Å; N97-L101 PolarHBondContact O-N 3.08Å; D98-L101 PolarHBondContact O-N 2.81Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L101-K104 PolarHBondContact O-N 3.5Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 3.47Å |
| 102 | E | 94.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 90.7 Ų | 90.7 | 23% | 0.229 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.7 | -52.7 | 173.8 | -176.4 | -178.4 | -171.4 | 0 | 0 | 111.4 | D98 L99 K104 L105 I106 Y152 | D98-E102 PolarHBondContact O-N 2.8Å; L99-E102 PolarHBondContact O-N 3.34Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 PolarHBondContact O-N 3.48Å; E102-L105 WeakPolarHBondContact O-CB 3.44Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-L105 VanDerWaalsContact O-N 3.09Å; E102-I106 HydrophobicContact CG-CD1 4.26Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 3.28Å; E102-Y152 HydrophobicContact CG-CD1 3.91Å; E102-Y152 HydrophobicContact CG-CE1 4.45Å |
| 103 | N | 95.4 | Very high | 96.5 | Very high | 68 Ų | 68 | 87.3 Ų | 87.3 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 177.5 | -71.2 | -26.1 | 0 | 0 | 0 | 112.2 | L99 I106 A107 K156 | L99-N103 WeakPolarHBondContact O-CB 3.44Å; L99-N103 PolarHBondContact O-N 2.82Å; L99-N103 PolarHBondContact O-ND2 3.27Å; N103-I106 PolarHBondContact O-N 3.08Å; N103-A107 PolarHBondContact O-N 2.93Å; N103-K156 PolarHBondContact OD1-NZ 3.23Å |
| 104 | K | 97.1 | Very high | 96.4 | Very high | 131 Ų | 131 | 83 Ų | 83 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68 | -38.1 | 174.5 | -179.7 | 172.2 | 178.6 | 174.5 | 0 | 112.4 | V100 L101 E102 I106 L108 | V100-K104 VanDerWaalsContact O-CB 3.28Å; V100-K104 WeakPolarHBondContact O-CB 3.5Å; V100-K104 PolarHBondContact O-N 2.99Å; L101-K104 PolarHBondContact O-N 3.5Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 PolarHBondContact O-N 3.48Å; K104-I106 VanDerWaalsContact C-N 3.34Å; K104-L108 HydrophobicContact CD-CD1 4.5Å; K104-L108 HydrophobicContact CG-CD1 3.92Å; K104-L108 HydrophobicContact CG-CG 4.31Å; K104-L108 WeakPolarHBondContact O-CB 3.36Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.92Å |
| 105 | L | 95.9 | Very high | 96.4 | Very high | 93 Ų | 93 | 80.9 Ų | 80.9 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.8 | 178.3 | 61.6 | 0 | 0 | 0 | 111.1 | L101 E102 G109 Y152 | L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 3.47Å; E102-L105 WeakPolarHBondContact O-CB 3.44Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-L105 VanDerWaalsContact O-N 3.09Å; L105-G109 PolarHBondContact O-N 2.91Å; L105-Y152 HydrophobicContact CD2-CE1 4.3Å; L105-Y152 HydrophobicContact CD2-CE2 4.3Å; L105-Y152 VanDerWaalsContact CD2-OH 3.31Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.46Å |
| 106 | I | 94.4 | Very high | 96.4 | Very high | 25 Ų | 25 | 78.1 Ų | 78.1 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.5 | -58.7 | 175.1 | -69.1 | 168.4 | 0 | 0 | 0 | 110 | E102 N103 K104 L108 G109 E110 F149 Y152 | E102-I106 HydrophobicContact CG-CD1 4.26Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 3.28Å; N103-I106 PolarHBondContact O-N 3.08Å; K104-I106 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 2.85Å; I106-G109 WeakPolarHBondContact O-CA 3.47Å; I106-G109 PolarHBondContact O-N 2.69Å; I106-E110 PolarHBondContact O-N 3.23Å; I106-F149 HydrophobicContact CB-CE1 4.06Å; I106-F149 HydrophobicContact CG1-CE1 4.35Å; I106-F149 HydrophobicContact CG2-CD1 4.15Å; I106-F149 HydrophobicContact CG2-CE1 3.71Å; I106-F149 WeakPolarHBondContact O-CE1 3.21Å; I106-F149 WeakPolarHBondContact O-CZ 3.42Å; I106-Y152 HydrophobicContact CD1-CG 4.41Å; I106-Y152 HydrophobicContact CG1-CD2 4.41Å; I106-Y152 HydrophobicContact CG1-CG 4.32Å |
| 107 | A | 94.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 74.7 Ų | 74.7 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N103 G109 E110 E111 | N103-A107 PolarHBondContact O-N 2.93Å; A107-G109 VanDerWaalsContact C-N 3.27Å; A107-G109 PolarHBondContact O-N 3.49Å; A107-E110 PolarHBondContact O-N 3.07Å; A107-E111 WeakPolarHBondContact O-CG 3.47Å; A107-E111 PolarHBondContact O-N 3.35Å |
| 108 | L | 96.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 75.8 Ų | 75.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -31.1 | 176.1 | -73.1 | 175.5 | 0 | 0 | 0 | 112.7 | K104 I106 N112 | K104-L108 HydrophobicContact CD-CD1 4.5Å; K104-L108 HydrophobicContact CG-CD1 3.92Å; K104-L108 HydrophobicContact CG-CG 4.31Å; K104-L108 WeakPolarHBondContact O-CB 3.36Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.92Å; I106-L108 PolarHBondContact O-N 2.85Å; L108-N112 WeakPolarHBondContact O-CB 3.4Å; L108-N112 PolarHBondContact O-N 3.26Å |
| 109 | G | 94.9 | Very high | 96.4 | Very high | 25 Ų | 25 | 76 Ų | 76 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L105 I106 A107 N112 A113 | L105-G109 PolarHBondContact O-N 2.91Å; I106-G109 WeakPolarHBondContact O-CA 3.47Å; I106-G109 PolarHBondContact O-N 2.69Å; A107-G109 VanDerWaalsContact C-N 3.27Å; A107-G109 PolarHBondContact O-N 3.49Å; G109-N112 PolarHBondContact O-N 2.92Å; G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 2.9Å |
| 110 | E | 94 | Very high | 96.4 | Very high | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.9 | -46.5 | 177.9 | -67.6 | 174.1 | 166.5 | 0 | 0 | 111 | I106 A107 N112 A113 T114 F149 | I106-E110 PolarHBondContact O-N 3.23Å; A107-E110 PolarHBondContact O-N 3.07Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 2.91Å; E110-A113 PolarHBondContact O-N 3.05Å; E110-T114 WeakPolarHBondContact O-CB 3.41Å; E110-T114 PolarHBondContact O-N 3.48Å; E110-T114 PolarHBondContact O-OG1 3.11Å; E110-F149 HydrophobicContact CB-CZ 4.49Å; E110-F149 HydrophobicContact CG-CE1 3.75Å; E110-F149 HydrophobicContact CG-CE2 4.39Å; E110-F149 HydrophobicContact CG-CZ 3.63Å |
| 111 | E | 97.1 | Very high | 96.4 | Very high | 113 Ų | 113 | 71 Ų | 71 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 171.1 | -72.4 | 174.3 | -168.4 | 0 | 0 | 111 | A107 A113 T114 L115 | A107-E111 WeakPolarHBondContact O-CG 3.47Å; A107-E111 PolarHBondContact O-N 3.35Å; E111-A113 PolarHBondContact O-N 3Å; E111-T114 PolarHBondContact O-N 2.99Å; E111-L115 WeakPolarHBondContact O-CB 3.48Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.14Å; E111-L115 PolarHBondContact O-N 3.38Å |
| 112 | N | 96.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 40% | 0.401 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | -178.6 | -165.5 | -89.4 | 0 | 0 | 0 | 112.9 | L108 G109 E110 K116 | L108-N112 WeakPolarHBondContact O-CB 3.4Å; L108-N112 PolarHBondContact O-N 3.26Å; G109-N112 PolarHBondContact O-N 2.92Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 2.91Å; N112-K116 WeakPolarHBondContact O-CB 3.44Å; N112-K116 WeakPolarHBondContact O-CD 3.21Å; N112-K116 VanDerWaalsContact O-CG 3.26Å; N112-K116 WeakPolarHBondContact O-CG 3.5Å; N112-K116 PolarHBondContact O-N 3.24Å; N112-K116 WeakPolarHBondContact OD1-CD 3.47Å; N112-K116 WeakPolarHBondContact OD1-CE 3.42Å; N112-K116 PolarHBondContact OD1-NZ 2.96Å |
| 113 | A | 95.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | G109 E110 E111 K116 A117 T145 | G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 2.9Å; E110-A113 PolarHBondContact O-N 3.05Å; E111-A113 PolarHBondContact O-N 3Å; A113-K116 PolarHBondContact O-N 3.3Å; A113-A117 PolarHBondContact O-N 3.23Å; A113-T145 HydrophobicContact CB-CG2 4.17Å |
| 114 | T | 96.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -52.6 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | E110 E111 K116 A117 E118 | E110-T114 WeakPolarHBondContact O-CB 3.41Å; E110-T114 PolarHBondContact O-N 3.48Å; E110-T114 PolarHBondContact O-OG1 3.11Å; E111-T114 PolarHBondContact O-N 2.99Å; T114-K116 VanDerWaalsContact C-N 3.27Å; T114-K116 PolarHBondContact O-N 3.31Å; T114-A117 WeakPolarHBondContact O-CB 3.13Å; T114-A117 PolarHBondContact O-N 3.05Å; T114-E118 PolarHBondContact O-N 3.45Å |
| 115 | L | 98.3 | Very high | 96.7 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 56% | 0.555 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.4 | -35.4 | 177.9 | -70.9 | 170 | 0 | 0 | 0 | 112.8 | E111 L119 | E111-L115 WeakPolarHBondContact O-CB 3.48Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.14Å; E111-L115 PolarHBondContact O-N 3.38Å; L115-L119 VanDerWaalsContact O-CB 3.27Å; L115-L119 WeakPolarHBondContact O-CB 3.44Å; L115-L119 PolarHBondContact O-N 2.96Å |
| 116 | K | 97.1 | Very high | 96.8 | Very high | 96 Ų | 96 | 75.3 Ų | 75.3 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 174.7 | -77.5 | 167.4 | 170.6 | 163.9 | 0 | 112.3 | N112 A113 T114 L119 L120 L141 | N112-K116 WeakPolarHBondContact O-CB 3.44Å; N112-K116 WeakPolarHBondContact O-CD 3.21Å; N112-K116 VanDerWaalsContact O-CG 3.26Å; N112-K116 WeakPolarHBondContact O-CG 3.5Å; N112-K116 PolarHBondContact O-N 3.24Å; N112-K116 WeakPolarHBondContact OD1-CD 3.47Å; N112-K116 WeakPolarHBondContact OD1-CE 3.42Å; N112-K116 PolarHBondContact OD1-NZ 2.96Å; A113-K116 PolarHBondContact O-N 3.3Å; T114-K116 VanDerWaalsContact C-N 3.27Å; T114-K116 PolarHBondContact O-N 3.31Å; K116-L119 PolarHBondContact O-N 3.47Å; K116-L120 WeakPolarHBondContact O-CG 3.43Å; K116-L120 PolarHBondContact O-N 2.95Å; K116-L141 HydrophobicContact CB-CD1 3.69Å; K116-L141 HydrophobicContact CB-CD2 3.99Å; K116-L141 HydrophobicContact CD-CD2 3.71Å; K116-L141 HydrophobicContact CG-CD2 4.39Å |
| 117 | A | 96.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 77 Ų | 77 | 31% | 0.314 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A113 T114 L120 S121 I138 | A113-A117 PolarHBondContact O-N 3.23Å; T114-A117 WeakPolarHBondContact O-CB 3.13Å; T114-A117 PolarHBondContact O-N 3.05Å; A117-L120 PolarHBondContact O-N 2.91Å; A117-S121 PolarHBondContact O-N 2.81Å; A117-I138 HydrophobicContact CB-CD1 4.38Å |
| 118 | E | 98.1 | Very high | 96.9 | Very high | 110 Ų | 110 | 81.3 Ų | 81.3 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 172.9 | -71.8 | 179.4 | -172.9 | 0 | 0 | 111.8 | T114 L120 S121 L122 | T114-E118 PolarHBondContact O-N 3.45Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.28Å; E118-S121 WeakPolarHBondContact O-CB 3.47Å; E118-S121 PolarHBondContact O-N 3.07Å; E118-S121 VanDerWaalsContact O-N 3.11Å; E118-L122 WeakPolarHBondContact O-CG 3.32Å; E118-L122 PolarHBondContact O-N 3.14Å |
| 119 | L | 98.1 | Very high | 96.9 | Very high | 89 Ų | 89 | 79.1 Ų | 79.1 | 47% | 0.466 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 177 | 178.8 | 62.2 | 0 | 0 | 0 | 112.3 | L115 K116 L122 K123 | L115-L119 VanDerWaalsContact O-CB 3.27Å; L115-L119 WeakPolarHBondContact O-CB 3.44Å; L115-L119 PolarHBondContact O-N 2.96Å; K116-L119 PolarHBondContact O-N 3.47Å; L119-L122 PolarHBondContact O-N 3.16Å; L119-K123 HydrophobicContact CD1-CG 4.49Å; L119-K123 HydrophobicContact CG-CD 4.35Å; L119-K123 WeakPolarHBondContact O-CB 3.42Å; L119-K123 VanDerWaalsContact O-CG 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.46Å; L119-K123 PolarHBondContact O-N 2.75Å |
| 120 | L | 97.8 | Very high | 97 | Very high | 18 Ų | 18 | 80.8 Ų | 80.8 | 9% | 0.094 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 173.9 | -75.1 | 177.2 | 0 | 0 | 0 | 111.7 | K116 A117 E118 L122 K123 L124 I129 Y134 E137 I138 L141 | K116-L120 WeakPolarHBondContact O-CG 3.43Å; K116-L120 PolarHBondContact O-N 2.95Å; A117-L120 PolarHBondContact O-N 2.91Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.28Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.9Å; L120-K123 PolarHBondContact O-N 3.48Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 PolarHBondContact O-N 2.98Å; L120-I129 HydrophobicContact CD2-CD1 3.91Å; L120-Y134 HydrophobicContact CB-CD2 3.84Å; L120-Y134 HydrophobicContact CB-CE2 3.79Å; L120-E137 HydrophobicContact CD1-CB 3.67Å; L120-E137 HydrophobicContact CD2-CB 3.95Å; L120-E137 HydrophobicContact CD2-CG 4.47Å; L120-I138 HydrophobicContact CB-CD1 4.31Å; L120-I138 HydrophobicContact CD1-CD1 3.75Å; L120-I138 HydrophobicContact CD1-CG1 4.02Å; L120-L141 HydrophobicContact CD1-CD1 3.45Å; L120-L141 VanDerWaalsContact CD1-CD1 3.45Å; L120-L141 HydrophobicContact CD1-CG 4.29Å; L120-L141 HydrophobicContact CG-CD1 4.46Å |
| 121 | S | 97.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 80 Ų | 80 | 21% | 0.21 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.5 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | A117 E118 L124 K125 | A117-S121 PolarHBondContact O-N 2.81Å; E118-S121 WeakPolarHBondContact O-CB 3.47Å; E118-S121 PolarHBondContact O-N 3.07Å; E118-S121 VanDerWaalsContact O-N 3.11Å; S121-L124 PolarHBondContact O-N 3.11Å; S121-K125 WeakPolarHBondContact O-CB 3.28Å; S121-K125 WeakPolarHBondContact O-CD 3.47Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 3.14Å; S121-K125 PolarHBondContact OG-NZ 3.3Å |
| 122 | L | 98.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 79.5 Ų | 79.5 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 175.5 | -68.6 | 170.8 | 0 | 0 | 0 | 111.5 | E118 L119 L120 L124 K125 F126 | E118-L122 WeakPolarHBondContact O-CG 3.32Å; E118-L122 PolarHBondContact O-N 3.14Å; L119-L122 PolarHBondContact O-N 3.16Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.9Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.22Å; L122-K125 PolarHBondContact O-N 3.06Å; L122-K125 VanDerWaalsContact O-N 3.14Å; L122-F126 HydrophobicContact CB-CD2 4.44Å; L122-F126 HydrophobicContact CB-CE2 4.45Å; L122-F126 HydrophobicContact CD2-CE2 4.2Å; L122-F126 WeakPolarHBondContact O-CD2 3.47Å; L122-F126 PolarHBondContact O-N 3.48Å |
| 123 | K | 97.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 77.4 Ų | 77.4 | 35% | 0.352 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.9 | -39.8 | 176.2 | -77.3 | 175.5 | 176.5 | -176.1 | 0 | 112.4 | L119 L120 G127 L128 I129 | L119-K123 HydrophobicContact CD1-CG 4.49Å; L119-K123 HydrophobicContact CG-CD 4.35Å; L119-K123 WeakPolarHBondContact O-CB 3.42Å; L119-K123 VanDerWaalsContact O-CG 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.46Å; L119-K123 PolarHBondContact O-N 2.75Å; L120-K123 PolarHBondContact O-N 3.48Å; K123-G127 PolarHBondContact O-N 2.8Å; K123-L128 HydrophobicContact CB-CB 4.27Å; K123-L128 HydrophobicContact CG-CB 4.44Å; K123-L128 HydrophobicContact CG-CD1 4.33Å; K123-L128 WeakPolarHBondContact O-CB 3.28Å; K123-L128 PolarHBondContact O-N 3.44Å; K123-I129 HydrophobicContact CB-CD1 3.75Å; K123-I129 HydrophobicContact CB-CG1 3.88Å; K123-I129 HydrophobicContact CB-CG2 4.3Å; K123-I129 HydrophobicContact CD-CG2 4.49Å; K123-I129 PolarHBondContact O-N 3.31Å |
| 124 | L | 97.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 175.3 | -178.4 | 65.7 | 0 | 0 | 0 | 111.4 | L120 S121 L122 F126 G127 I129 Y134 | L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 PolarHBondContact O-N 2.98Å; S121-L124 PolarHBondContact O-N 3.11Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.22Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.43Å; L124-G127 PolarHBondContact O-N 3.12Å; L124-I129 HydrophobicContact CB-CD1 4.43Å; L124-I129 HydrophobicContact CB-CG1 4.22Å; L124-Y134 HydrophobicContact CB-CD2 4.01Å; L124-Y134 HydrophobicContact CB-CG 4.35Å; L124-Y134 HydrophobicContact CD2-CD1 3.88Å; L124-Y134 HydrophobicContact CD2-CD2 4.03Å; L124-Y134 HydrophobicContact CD2-CE1 4.24Å; L124-Y134 HydrophobicContact CD2-CE2 4.38Å; L124-Y134 HydrophobicContact CD2-CG 3.78Å; L124-Y134 HydrophobicContact CG-CG 4.47Å |
| 125 | K | 96.9 | Very high | 97.1 | Very high | 154 Ų | 154 | 78.1 Ų | 78.1 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59 | -36.1 | 178.6 | -75.9 | 162.8 | 177.3 | 155.2 | 0 | 113.1 | S121 L122 G127 | S121-K125 WeakPolarHBondContact O-CB 3.28Å; S121-K125 WeakPolarHBondContact O-CD 3.47Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 3.14Å; S121-K125 PolarHBondContact OG-NZ 3.3Å; L122-K125 PolarHBondContact O-N 3.06Å; L122-K125 VanDerWaalsContact O-N 3.14Å; K125-G127 VanDerWaalsContact C-N 3.34Å |
| 126 | F | 97.6 | Very high | 97 | Very high | 154 Ų | 154 | 79.7 Ų | 79.7 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7 | 176.3 | -66.8 | -64.2 | 0 | 0 | 0 | 114.1 | L122 L124 L128 | L122-F126 HydrophobicContact CB-CD2 4.44Å; L122-F126 HydrophobicContact CB-CE2 4.45Å; L122-F126 HydrophobicContact CD2-CE2 4.2Å; L122-F126 WeakPolarHBondContact O-CD2 3.47Å; L122-F126 PolarHBondContact O-N 3.48Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.43Å; F126-L128 HydrophobicContact CB-CD1 4.32Å; F126-L128 HydrophobicContact CB-CG 4.08Å; F126-L128 PolarHBondContact O-N 2.87Å |
| 127 | G | 95.3 | Very high | 97 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 63% | 0.629 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 14.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | K123 L124 K125 I129 | K123-G127 PolarHBondContact O-N 2.8Å; L124-G127 PolarHBondContact O-N 3.12Å; K125-G127 VanDerWaalsContact C-N 3.34Å; G127-I129 VanDerWaalsContact C-N 3.25Å; G127-I129 PolarHBondContact O-N 3.25Å |
| 128 | L | 96.6 | Very high | 96.9 | Very high | 129 Ų | 129 | 79.1 Ų | 79.1 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -74.3 | -16.8 | 179.3 | -59.4 | 177.8 | 0 | 0 | 0 | 112.8 | K123 F126 | K123-L128 HydrophobicContact CB-CB 4.27Å; K123-L128 HydrophobicContact CG-CB 4.44Å; K123-L128 HydrophobicContact CG-CD1 4.33Å; K123-L128 WeakPolarHBondContact O-CB 3.28Å; K123-L128 PolarHBondContact O-N 3.44Å; F126-L128 HydrophobicContact CB-CD1 4.32Å; F126-L128 HydrophobicContact CB-CG 4.08Å; F126-L128 PolarHBondContact O-N 2.87Å |
| 129 | I | 96.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 80.1 Ų | 80.1 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -138.4 | 151 | 173 | 61.9 | -178.9 | 0 | 0 | 0 | 110 | L120 K123 L124 G127 A133 Y134 | L120-I129 HydrophobicContact CD2-CD1 3.91Å; K123-I129 HydrophobicContact CB-CD1 3.75Å; K123-I129 HydrophobicContact CB-CG1 3.88Å; K123-I129 HydrophobicContact CB-CG2 4.3Å; K123-I129 HydrophobicContact CD-CG2 4.49Å; K123-I129 PolarHBondContact O-N 3.31Å; L124-I129 HydrophobicContact CB-CD1 4.43Å; L124-I129 HydrophobicContact CB-CG1 4.22Å; G127-I129 VanDerWaalsContact C-N 3.25Å; G127-I129 PolarHBondContact O-N 3.25Å; I129-A133 HydrophobicContact CB-CB 4.47Å; I129-Y134 HydrophobicContact CD1-CD2 4.14Å |
| 130 | S | 97.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 81.7 Ų | 81.7 | 42% | 0.42 | 44% | 0.438 | S | S | . | . | trans | -73.1 | 158.4 | 172 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | T132 A133 Y134 | S130-T132 PolarHBondContact O-N 3.44Å; S130-T132 PolarHBondContact OG-OG1 2.65Å; S130-A133 PolarHBondContact O-N 2.66Å; S130-A133 WeakPolarHBondContact OG-CB 3.15Å; S130-A133 PolarHBondContact OG-N 3.34Å; S130-A133 VanDerWaalsContact OG-N 3.11Å; S130-Y134 PolarHBondContact O-N 2.88Å | ||
| 131 | S | 96.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 82.2 Ų | 82.2 | 60% | 0.601 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -56.7 | -36.5 | 172.3 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | Y134 A135 | S131-Y134 PolarHBondContact O-N 3.48Å; S131-A135 PolarHBondContact O-N 3.01Å |
| 132 | T | 96.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 84.3 Ų | 84.3 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 175.9 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | S130 A135 Q136 | S130-T132 PolarHBondContact O-N 3.44Å; S130-T132 PolarHBondContact OG-OG1 2.65Å; T132-A135 PolarHBondContact O-N 3.44Å; T132-Q136 WeakPolarHBondContact O-CG 3.4Å; T132-Q136 PolarHBondContact O-N 2.89Å |
| 133 | A | 96.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 85.5 Ų | 85.5 | 26% | 0.256 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I129 S130 Q136 E137 | I129-A133 HydrophobicContact CB-CB 4.47Å; S130-A133 PolarHBondContact O-N 2.66Å; S130-A133 WeakPolarHBondContact OG-CB 3.15Å; S130-A133 PolarHBondContact OG-N 3.34Å; S130-A133 VanDerWaalsContact OG-N 3.11Å; A133-Q136 PolarHBondContact O-N 2.89Å; A133-E137 PolarHBondContact O-N 3.49Å |
| 134 | Y | 97.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 84.4 Ų | 84.4 | 25% | 0.251 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 172.5 | 172.5 | -94.8 | 0 | 0 | 0 | 111.7 | L120 L124 I129 S130 S131 Q136 E137 I138 | L120-Y134 HydrophobicContact CB-CD2 3.84Å; L120-Y134 HydrophobicContact CB-CE2 3.79Å; L124-Y134 HydrophobicContact CB-CD2 4.01Å; L124-Y134 HydrophobicContact CB-CG 4.35Å; L124-Y134 HydrophobicContact CD2-CD1 3.88Å; L124-Y134 HydrophobicContact CD2-CD2 4.03Å; L124-Y134 HydrophobicContact CD2-CE1 4.24Å; L124-Y134 HydrophobicContact CD2-CE2 4.38Å; L124-Y134 HydrophobicContact CD2-CG 3.78Å; L124-Y134 HydrophobicContact CG-CG 4.47Å; I129-Y134 HydrophobicContact CD1-CD2 4.14Å; S130-Y134 PolarHBondContact O-N 2.88Å; S131-Y134 PolarHBondContact O-N 3.48Å; Y134-Q136 VanDerWaalsContact C-N 3.35Å; Y134-Q136 PolarHBondContact O-N 2.98Å; Y134-E137 PolarHBondContact O-N 2.96Å; Y134-I138 HydrophobicContact CD1-CG1 4.24Å; Y134-I138 HydrophobicContact CD2-CG1 4.17Å; Y134-I138 HydrophobicContact CE1-CG1 3.85Å; Y134-I138 HydrophobicContact CE2-CD1 3.95Å; Y134-I138 HydrophobicContact CE2-CG1 3.77Å; Y134-I138 HydrophobicContact CG-CG1 4.38Å; Y134-I138 WeakPolarHBondContact O-CB 2.98Å; Y134-I138 VanDerWaalsContact O-CG1 3.29Å; Y134-I138 WeakPolarHBondContact O-CG1 3.17Å; Y134-I138 PolarHBondContact O-N 2.99Å |
| 135 | A | 95.9 | Very high | 95.1 | Very high | 50 Ų | 50 | 83.7 Ų | 83.7 | 41% | 0.413 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S131 T132 Q139 | S131-A135 PolarHBondContact O-N 3.01Å; T132-A135 PolarHBondContact O-N 3.44Å; A135-Q139 WeakPolarHBondContact O-CG 3.43Å; A135-Q139 PolarHBondContact O-N 3.41Å; A135-Q139 VanDerWaalsContact O-N 3.08Å |
| 136 | Q | 96.6 | Very high | 94.6 | Very high | 138 Ų | 138 | 78.7 Ų | 78.7 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.7 | -46.7 | 176.5 | -72.4 | 177.2 | -12.4 | 0 | 0 | 112.4 | T132 A133 Y134 Q139 K140 | T132-Q136 WeakPolarHBondContact O-CG 3.4Å; T132-Q136 PolarHBondContact O-N 2.89Å; A133-Q136 PolarHBondContact O-N 2.89Å; Y134-Q136 VanDerWaalsContact C-N 3.35Å; Y134-Q136 PolarHBondContact O-N 2.98Å; Q136-Q139 PolarHBondContact O-N 3.3Å; Q136-K140 WeakPolarHBondContact O-CB 3.31Å; Q136-K140 PolarHBondContact O-N 3.38Å |
| 137 | E | 95.6 | Very high | 94 | Very high | 72 Ų | 72 | 76 Ų | 76 | 34% | 0.336 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 178.9 | -73.6 | -67 | 167.1 | 0 | 0 | 112 | L120 A133 Y134 K140 L141 | L120-E137 HydrophobicContact CD1-CB 3.67Å; L120-E137 HydrophobicContact CD2-CB 3.95Å; L120-E137 HydrophobicContact CD2-CG 4.47Å; A133-E137 PolarHBondContact O-N 3.49Å; Y134-E137 PolarHBondContact O-N 2.96Å; E137-K140 PolarHBondContact O-N 3.09Å; E137-K140 IonicContact OE1-NZ 2.82Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 WeakPolarHBondContact OE2-CD 3.29Å; E137-K140 IonicContact OE2-NZ 2.82Å; E137-K140 PolarHBondContact OE2-NZ 3.28Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.31Å; E137-L141 PolarHBondContact O-N 3.29Å |
| 138 | I | 95.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 80.1 Ų | 80.1 | 26% | 0.262 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174 | -69.6 | -71.4 | 0 | 0 | 0 | 111.7 | A117 L120 Y134 K140 L141 S142 | A117-I138 HydrophobicContact CB-CD1 4.38Å; L120-I138 HydrophobicContact CB-CD1 4.31Å; L120-I138 HydrophobicContact CD1-CD1 3.75Å; L120-I138 HydrophobicContact CD1-CG1 4.02Å; Y134-I138 HydrophobicContact CD1-CG1 4.24Å; Y134-I138 HydrophobicContact CD2-CG1 4.17Å; Y134-I138 HydrophobicContact CE1-CG1 3.85Å; Y134-I138 HydrophobicContact CE2-CD1 3.95Å; Y134-I138 HydrophobicContact CE2-CG1 3.77Å; Y134-I138 HydrophobicContact CG-CG1 4.38Å; Y134-I138 WeakPolarHBondContact O-CB 2.98Å; Y134-I138 VanDerWaalsContact O-CG1 3.29Å; Y134-I138 WeakPolarHBondContact O-CG1 3.17Å; Y134-I138 PolarHBondContact O-N 2.99Å; I138-K140 VanDerWaalsContact C-N 3.35Å; I138-K140 PolarHBondContact O-N 3.45Å; I138-L141 PolarHBondContact O-N 3.05Å; I138-S142 WeakPolarHBondContact O-CB 3.43Å; I138-S142 PolarHBondContact O-N 3.25Å |
| 139 | Q | 95.1 | Very high | 92.7 | Very high | 131 Ų | 131 | 75.5 Ų | 75.5 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 174.4 | -75 | -177.5 | -3.9 | 0 | 0 | 111.8 | A135 Q136 S142 N143 | A135-Q139 WeakPolarHBondContact O-CG 3.43Å; A135-Q139 PolarHBondContact O-N 3.41Å; A135-Q139 VanDerWaalsContact O-N 3.08Å; Q136-Q139 PolarHBondContact O-N 3.3Å; Q139-S142 PolarHBondContact O-N 3.09Å; Q139-N143 WeakPolarHBondContact O-CB 2.96Å; Q139-N143 VanDerWaalsContact O-CG 3.26Å; Q139-N143 PolarHBondContact O-N 3.21Å; Q139-N143 PolarHBondContact O-ND2 3.47Å |
| 140 | K | 94.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 79.5 Ų | 79.5 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.8 | 175.3 | 175.5 | 154.8 | -143.1 | 0 | 112.7 | Q136 E137 I138 S144 | Q136-K140 WeakPolarHBondContact O-CB 3.31Å; Q136-K140 PolarHBondContact O-N 3.38Å; E137-K140 PolarHBondContact O-N 3.09Å; E137-K140 IonicContact OE1-NZ 2.82Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 WeakPolarHBondContact OE2-CD 3.29Å; E137-K140 IonicContact OE2-NZ 2.82Å; E137-K140 PolarHBondContact OE2-NZ 3.28Å; I138-K140 VanDerWaalsContact C-N 3.35Å; I138-K140 PolarHBondContact O-N 3.45Å; K140-S144 WeakPolarHBondContact O-CB 3.06Å; K140-S144 PolarHBondContact O-N 3.07Å |
| 141 | L | 94.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 82.4 Ų | 82.4 | 16% | 0.157 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 172 | -72.3 | -176.9 | 0 | 0 | 0 | 111.2 | K116 L120 E137 I138 S144 T145 | K116-L141 HydrophobicContact CB-CD1 3.69Å; K116-L141 HydrophobicContact CB-CD2 3.99Å; K116-L141 HydrophobicContact CD-CD2 3.71Å; K116-L141 HydrophobicContact CG-CD2 4.39Å; L120-L141 HydrophobicContact CD1-CD1 3.45Å; L120-L141 VanDerWaalsContact CD1-CD1 3.45Å; L120-L141 HydrophobicContact CD1-CG 4.29Å; L120-L141 HydrophobicContact CG-CD1 4.46Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.31Å; E137-L141 PolarHBondContact O-N 3.29Å; I138-L141 PolarHBondContact O-N 3.05Å; L141-S144 PolarHBondContact O-N 3.41Å; L141-T145 WeakPolarHBondContact O-CB 3.36Å; L141-T145 PolarHBondContact O-N 3.47Å; L141-T145 PolarHBondContact O-OG1 3.09Å |
| 142 | S | 92.2 | Very high | 89.2 | Confident | 73 Ų | 73 | 81.9 Ų | 81.9 | 51% | 0.51 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -50 | 178.5 | -178 | 0 | 0 | 0 | 0 | 111.6 | I138 Q139 S144 T145 A146 | I138-S142 WeakPolarHBondContact O-CB 3.43Å; I138-S142 PolarHBondContact O-N 3.25Å; Q139-S142 PolarHBondContact O-N 3.09Å; S142-S144 PolarHBondContact O-N 3.42Å; S142-T145 WeakPolarHBondContact O-CB 3.39Å; S142-T145 PolarHBondContact O-N 3.23Å; S142-A146 WeakPolarHBondContact O-CB 3.28Å; S142-A146 PolarHBondContact O-N 3.14Å |
| 143 | N | 92.3 | Very high | 87.5 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 57% | 0.572 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 178.7 | -68.1 | -15.6 | 0 | 0 | 0 | 112.4 | Q139 A146 V147 | Q139-N143 WeakPolarHBondContact O-CB 2.96Å; Q139-N143 VanDerWaalsContact O-CG 3.26Å; Q139-N143 PolarHBondContact O-N 3.21Å; Q139-N143 PolarHBondContact O-ND2 3.47Å; N143-A146 PolarHBondContact O-N 3.33Å; N143-V147 WeakPolarHBondContact O-CG2 3.38Å; N143-V147 PolarHBondContact O-N 3.46Å; N143-V147 VanDerWaalsContact O-N 3.12Å |
| 144 | S | 89.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | K140 L141 S142 V147 Y148 | K140-S144 WeakPolarHBondContact O-CB 3.06Å; K140-S144 PolarHBondContact O-N 3.07Å; L141-S144 PolarHBondContact O-N 3.41Å; S142-S144 PolarHBondContact O-N 3.42Å; S144-V147 PolarHBondContact O-N 3.12Å; S144-Y148 WeakPolarHBondContact O-CD2 3.5Å; S144-Y148 PolarHBondContact O-N 3.27Å |
| 145 | T | 90.1 | Very high | 83.7 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.5 | -54.4 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | A113 L141 S142 V147 Y148 F149 | A113-T145 HydrophobicContact CB-CG2 4.17Å; L141-T145 WeakPolarHBondContact O-CB 3.36Å; L141-T145 PolarHBondContact O-N 3.47Å; L141-T145 PolarHBondContact O-OG1 3.09Å; S142-T145 WeakPolarHBondContact O-CB 3.39Å; S142-T145 PolarHBondContact O-N 3.23Å; T145-V147 VanDerWaalsContact C-N 3.32Å; T145-V147 PolarHBondContact O-N 2.86Å; T145-Y148 PolarHBondContact O-N 3.25Å; T145-F149 HydrophobicContact CG2-CD2 3.58Å; T145-F149 HydrophobicContact CG2-CE2 3.7Å; T145-F149 WeakPolarHBondContact O-CD2 3.47Å; T145-F149 PolarHBondContact O-N 2.91Å |
| 146 | A | 86.4 | Confident | 81.7 | Confident | 49 Ų | 49 | 87 Ų | 87 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -52.4 | -46.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S142 N143 Y148 F149 Q150 | S142-A146 WeakPolarHBondContact O-CB 3.28Å; S142-A146 PolarHBondContact O-N 3.14Å; N143-A146 PolarHBondContact O-N 3.33Å; A146-Y148 PolarHBondContact O-N 3.35Å; A146-F149 PolarHBondContact O-N 3.28Å; A146-Q150 VanDerWaalsContact O-CB 3.28Å; A146-Q150 WeakPolarHBondContact O-CB 3.42Å; A146-Q150 PolarHBondContact O-N 3.03Å |
| 147 | V | 85 | Confident | 79.3 | Confident | 97 Ų | 97 | 83.9 Ų | 83.9 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.3 | -44.9 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | N143 S144 T145 | N143-V147 WeakPolarHBondContact O-CG2 3.38Å; N143-V147 PolarHBondContact O-N 3.46Å; N143-V147 VanDerWaalsContact O-N 3.12Å; S144-V147 PolarHBondContact O-N 3.12Å; T145-V147 VanDerWaalsContact C-N 3.32Å; T145-V147 PolarHBondContact O-N 2.86Å |
| 148 | Y | 81.1 | Confident | 76.9 | Confident | 149 Ų | 149 | 86.4 Ų | 86.4 | 58% | 0.584 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 178 | -77.7 | -65.6 | 0 | 0 | 0 | 112.5 | S144 T145 A146 Y152 | S144-Y148 WeakPolarHBondContact O-CD2 3.5Å; S144-Y148 PolarHBondContact O-N 3.27Å; T145-Y148 PolarHBondContact O-N 3.25Å; A146-Y148 PolarHBondContact O-N 3.35Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.43Å; Y148-Y152 WeakPolarHBondContact O-CE2 3.39Å |
| 149 | F | 83.1 | Confident | 74.9 | Confident | 31 Ų | 31 | 90.1 Ų | 90.1 | 14% | 0.136 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -82.4 | -28.5 | -174.1 | -72.1 | -75.9 | 0 | 0 | 0 | 114.3 | I106 E110 T145 A146 D151 Y152 Q153 | I106-F149 HydrophobicContact CB-CE1 4.06Å; I106-F149 HydrophobicContact CG1-CE1 4.35Å; I106-F149 HydrophobicContact CG2-CD1 4.15Å; I106-F149 HydrophobicContact CG2-CE1 3.71Å; I106-F149 WeakPolarHBondContact O-CE1 3.21Å; I106-F149 WeakPolarHBondContact O-CZ 3.42Å; E110-F149 HydrophobicContact CB-CZ 4.49Å; E110-F149 HydrophobicContact CG-CE1 3.75Å; E110-F149 HydrophobicContact CG-CE2 4.39Å; E110-F149 HydrophobicContact CG-CZ 3.63Å; T145-F149 HydrophobicContact CG2-CD2 3.58Å; T145-F149 HydrophobicContact CG2-CE2 3.7Å; T145-F149 WeakPolarHBondContact O-CD2 3.47Å; T145-F149 PolarHBondContact O-N 2.91Å; A146-F149 PolarHBondContact O-N 3.28Å; F149-D151 VanDerWaalsContact C-N 3.33Å; F149-D151 PolarHBondContact O-N 3.4Å; F149-Y152 PolarHBondContact O-N 2.91Å; F149-Q153 PolarHBondContact O-N 3.06Å |
| 150 | Q | 77.6 | Confident | 72.4 | Confident | 126 Ų | 126 | 88.1 Ų | 88.1 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.4 | -44.5 | 179.5 | -168.9 | 101.6 | 31 | 0 | 0 | 112.2 | A146 Y152 Q153 T154 | A146-Q150 VanDerWaalsContact O-CB 3.28Å; A146-Q150 WeakPolarHBondContact O-CB 3.42Å; A146-Q150 PolarHBondContact O-N 3.03Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.02Å; Q150-Q153 PolarHBondContact O-N 3.49Å; Q150-T154 PolarHBondContact O-N 3.1Å; Q150-T154 VanDerWaalsContact O-N 3.14Å; Q150-T154 PolarHBondContact O-OG1 3.01Å |
| 151 | D | 70.6 | Confident | 69.7 | Low | 122 Ų | 122 | 86.6 Ų | 86.6 | 65% | 0.652 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.7 | -33.2 | -177.1 | -73.1 | -14.2 | 0 | 0 | 0 | 112.5 | F149 | F149-D151 VanDerWaalsContact C-N 3.33Å; F149-D151 PolarHBondContact O-N 3.4Å |
| 152 | Y | 67.9 | Low | 67 | Low | 75 Ų | 75 | 95 Ų | 95 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -84.6 | -26.3 | 176 | -55.8 | -71.2 | 0 | 0 | 0 | 113.5 | E102 L105 I106 Y148 F149 Q150 S155 | E102-Y152 HydrophobicContact CG-CD1 3.91Å; E102-Y152 HydrophobicContact CG-CE1 4.45Å; L105-Y152 HydrophobicContact CD2-CE1 4.3Å; L105-Y152 HydrophobicContact CD2-CE2 4.3Å; L105-Y152 VanDerWaalsContact CD2-OH 3.31Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.46Å; I106-Y152 HydrophobicContact CD1-CG 4.41Å; I106-Y152 HydrophobicContact CG1-CD2 4.41Å; I106-Y152 HydrophobicContact CG1-CG 4.32Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.43Å; Y148-Y152 WeakPolarHBondContact O-CE2 3.39Å; F149-Y152 PolarHBondContact O-N 2.91Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.02Å; Y152-S155 PolarHBondContact O-OG 3.33Å |
| 153 | Q | 62.1 | Low | 64.6 | Low | 132 Ų | 132 | 97.8 Ų | 97.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.1 | -39.9 | 176.1 | -147.9 | 81.4 | 23.5 | 0 | 0 | 111 | F149 Q150 S155 K156 S157 | F149-Q153 PolarHBondContact O-N 3.06Å; Q150-Q153 PolarHBondContact O-N 3.49Å; Q153-S155 VanDerWaalsContact C-N 3.3Å; Q153-S155 PolarHBondContact O-N 3.09Å; Q153-K156 PolarHBondContact O-N 2.96Å; Q153-S157 PolarHBondContact O-N 2.98Å |
| 154 | T | 56.4 | Low | 61.9 | Low | 71 Ų | 71 | 100.3 Ų | 100.3 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73 | -21.1 | -175.2 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | Q150 S157 | Q150-T154 PolarHBondContact O-N 3.1Å; Q150-T154 VanDerWaalsContact O-N 3.14Å; Q150-T154 PolarHBondContact O-OG1 3.01Å; T154-S157 PolarHBondContact O-OG 2.97Å |
| 155 | S | 57.3 | Low | 59.6 | Low | 54 Ų | 54 | 105.9 Ų | 105.9 | 38% | 0.378 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.1 | -34.2 | 173.7 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | Y152 Q153 | Y152-S155 PolarHBondContact O-OG 3.33Å; Q153-S155 VanDerWaalsContact C-N 3.3Å; Q153-S155 PolarHBondContact O-N 3.09Å |
| 156 | K | 53 | Low | 57.3 | Low | 96 Ų | 96 | 112.5 Ų | 112.5 | 42% | 0.417 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -80.8 | -34.4 | -176.7 | -69.4 | -179 | 177.8 | 172.7 | 0 | 113.2 | N103 Q153 N158 V159 | N103-K156 PolarHBondContact OD1-NZ 3.23Å; Q153-K156 PolarHBondContact O-N 2.96Å; K156-N158 PolarHBondContact O-N 2.79Å; K156-V159 PolarHBondContact O-N 3.38Å |
| 157 | S | 46.8 | Very low | 54.8 | Low | 73 Ų | 73 | 118.3 Ų | 118.3 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.8 | -35.9 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | Q153 T154 V159 S160 | Q153-S157 PolarHBondContact O-N 2.98Å; T154-S157 PolarHBondContact O-OG 2.97Å; S157-V159 VanDerWaalsContact C-N 3.26Å; S157-V159 PolarHBondContact O-N 3.01Å; S157-S160 PolarHBondContact O-N 3.34Å |
| 158 | N | 44.5 | Very low | 52.7 | Low | 125 Ų | 125 | 118.5 Ų | 118.5 | 67% | 0.668 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -9.4 | -178.6 | -101.4 | -24.8 | 0 | 0 | 0 | 115.2 | K156 | K156-N158 PolarHBondContact O-N 2.79Š|
| 159 | V | 52.7 | Low | 50.8 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 78% | 0.782 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -10.6 | 176 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | K156 S157 | K156-V159 PolarHBondContact O-N 3.38Å; S157-V159 VanDerWaalsContact C-N 3.26Å; S157-V159 PolarHBondContact O-N 3.01Å |
| 160 | S | 43.2 | Very low | 48.6 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 62% | 0.622 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -97.2 | -4.2 | -175 | -165.9 | 0 | 0 | 0 | 0 | 115.1 | S157 F162 | S157-S160 PolarHBondContact O-N 3.34Å; S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.01Å |
| 161 | S | 37.6 | Very low | 46.9 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 62% | 0.622 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -87.5 | 20.1 | -171 | 64.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 162 | F | 38.4 | Very low | 45.5 | Very low | 207 Ų | 207 | 121.5 Ų | 121.5 | 91% | 0.908 | 68% | 0.678 | S | S | * | * | trans | -136.8 | 53.5 | 175.4 | -121.3 | -80.3 | 0 | 0 | 0 | 111.5 | S160 | S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.01Å | ||
| 163 | V | 41.8 | Very low | 44.1 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -122.3 | 132.1 | 159.6 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 164 | D | 35.1 | Very low | 43.5 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | trans | -66 | 153 | -169 | -162.7 | 20 | 0 | 0 | 0 | 113.3 | H166 | D164-H166 PolarHBondContact O-N 3.31Š| ||
| 165 | E | 41.2 | Very low | 42.8 | Very low | 176 Ų | 176 | 124.5 Ų | 124.5 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -89.6 | 93.5 | -165.7 | -173.8 | -174.2 | 164.4 | 0 | 0 | 111.9 | ||||
| 166 | H | 41.4 | Very low | 42.4 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | trans | -161.6 | 94 | 159.9 | -106.9 | -72.8 | 0 | 0 | 0 | 112.8 | D164 | D164-H166 PolarHBondContact O-N 3.31Š| ||
| 167 | E | 35 | Very low | 42.3 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 171.7 | 145.7 | 132.8 | -93.9 | -66.4 | 92.9 | 0 | 0 | 110.2 | ||
| 168 | P | 40.3 | Very low | 42 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -79.1 | 144.5 | -163.9 | 30.8 | -34.4 | 0 | 0 | 0 | 114.3 | M170 | P168-M170 PolarHBondContact O-N 3.27Š| ||
| 169 | A | 41.8 | Very low | 42 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 119.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 170 | M | 36.8 | Very low | 41.2 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -120.6 | 97.1 | 163.1 | -75.8 | -67.1 | -179.7 | 0 | 0 | 110.5 | P168 | P168-M170 PolarHBondContact O-N 3.27Š| ||
| 171 | V | 40.4 | Very low | 41.1 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | 39.5 | 110.2 | 152.1 | -173.6 | 0 | 0 | 0 | 0 | 117.7 | S173 | V171-S173 PolarHBondContact O-N 3.01Š| ||
| 172 | A | 42.8 | Very low | 41 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -60.5 | 120.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 173 | S | 37 | Very low | 41.3 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -160.5 | 131.5 | 155.9 | -85.3 | 0 | 0 | 0 | 0 | 112.2 | V171 | V171-S173 PolarHBondContact O-N 3.01Š| ||
| 174 | S | 49.3 | Very low | 41 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 115.5 | 174.7 | 152.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 175 | C | 43.6 | Very low | 40.8 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -163.1 | 130.9 | 147.6 | 49 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 176 | I | 47 | Very low | 40.4 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 128.9 | 164.6 | -69.2 | 165.5 | 0 | 0 | 0 | 107.9 | V178 | I176-V178 HydrophobicContact CG2-CG2 4.03Š| ||
| 177 | S | 50.8 | Low | 39.9 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -136 | 110.3 | 168.5 | -77.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 178 | V | 41.5 | Very low | 39.6 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -94.6 | 116.9 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | I176 | I176-V178 HydrophobicContact CG2-CG2 4.03Š| ||
| 179 | I | 45.3 | Very low | 39.2 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 48.8 | 113.9 | 157.4 | -51.6 | 165.2 | 0 | 0 | 0 | 116.5 | ||||
| 180 | K | 35.4 | Very low | 39 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 70% | 0.7 | 77% | 0.773 | S | S | * | * | -168.6 | 136.3 | 120.1 | -109.4 | 175 | 175.1 | -172.9 | 0 | 116 | |||||
| 181 | H | 40.9 | Very low | 38.9 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 72.5 | 102.2 | 152.4 | -58 | -36.6 | 0 | 0 | 0 | 120.6 | ||||
| 182 | S | 34.8 | Very low | 38.5 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -59.1 | 148.8 | 148 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 183 | P | 45.1 | Very low | 38 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -117.9 | 128.3 | 139.2 | 33.4 | -24.9 | 0 | 0 | 0 | 111.4 | ||||
| 184 | Q | 35.8 | Very low | 37.7 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 141.6 | 161.5 | -73.2 | -177.8 | -32.4 | 0 | 0 | 110.2 | ||||
| 185 | S | 29.8 | Very low | 36.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -152.1 | 104 | 157.4 | -175 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 186 | S | 33 | Very low | 36.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | 62.1 | 130.7 | 94.4 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 187 | L | 31.2 | Very low | 35.2 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | cis | 171.6 | 161.7 | -1.5 | -114 | 172.7 | 0 | 0 | 0 | 102.4 | ||||
| 188 | S | 29.4 | Very low | 34.2 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | 64.3 | 114.3 | 159.5 | -172.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 189 | D | 32.4 | Very low | 33.8 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | -139.8 | 150.5 | 116 | -151.5 | -1.9 | 0 | 0 | 0 | 110.9 | |||||
| 190 | V | 36.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -144.2 | 126.6 | -170 | -76.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 191 | S | 35.9 | Very low | 32.9 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 175.5 | 126.6 | 153.1 | -102.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 192 | E | 32.2 | Very low | 32.4 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | 71.6 | 137.5 | 89.3 | -69.4 | -178.3 | 144.5 | 0 | 0 | 113 | |||||
| 193 | V | 30.9 | Very low | 32 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | cis | -159.8 | 144.1 | 16.2 | 40.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 194 | S | 31.4 | Very low | 31.4 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | 6.5 | 137.5 | 151.7 | -169.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 195 | S | 29.6 | Very low | 31.2 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 175 | 124 | 96.6 | -69.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 196 | V | 30.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | 54.5 | 118.9 | 126.1 | -175.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 197 | E | 27.5 | Very low | 31 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | -164.3 | 114.2 | 123 | -149.7 | 154.2 | -162.7 | 0 | 0 | 109.7 | |||||
| 198 | H | 30.1 | Very low | 30.8 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | 42.6 | 126 | 113.4 | -84.7 | 33.9 | 0 | 0 | 0 | 116 | |||||
| 199 | T | 32 | Very low | 30.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | -157.6 | 155.8 | 50.7 | 9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 200 | Q | 32 | Very low | 30.6 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 60.2 | 140.4 | 154.1 | -67 | 173.3 | -74.3 | 0 | 0 | 119.2 | ||||
| 201 | E | 29.6 | Very low | 31.6 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -153.2 | 177.2 | -0.3 | -130.9 | 162.3 | -134.8 | 0 | 0 | 112.3 | ||||
| 202 | S | 30.8 | Very low | 31.3 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -93.8 | 175.6 | -158 | -166.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 203 | S | 26.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 81.7 | 139.1 | 164.9 | -83.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 204 | V | 31.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | cis | -158.1 | -178.1 | -12.7 | 93 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 205 | Q | 32.1 | Very low | 31.4 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -53.7 | 156.5 | 177 | -59.6 | 161.1 | -61.5 | 0 | 0 | 116.8 | ||||
| 206 | G | 29.1 | Very low | 31.7 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -173.4 | 125.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 207 | S | 28.8 | Very low | 31.8 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -105.4 | 140.3 | -174.5 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 208 | C | 28.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 49.6 | 145.8 | 148.1 | -65.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 209 | R | 27.9 | Very low | 32.3 | Very low | 244 Ų | 244 | 141.2 Ų | 141.2 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | 88.5 | 111.5 | 158.5 | -65.7 | -170.1 | 175.9 | -139.3 | 0.8 | 120.7 | ||||
| 210 | S | 28.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | -0.3 | 167.5 | 119.6 | -92.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 211 | P | 57.2 | Low | 32.1 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -142.1 | -157 | -9.6 | 27.8 | -0.6 | 0 | 0 | 0 | 114.2 | ||||
| 212 | E | 30.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | 106.6 | 115.8 | 137.2 | -82.9 | 173.1 | -148.7 | 0 | 0 | 124.8 | ||||
| 213 | N | 31.2 | Very low | 32.9 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 60% | 0.599 | 76% | 0.76 | S | S | * | * | 101.2 | 143.2 | 117.3 | -84.4 | -34.4 | 0 | 0 | 0 | 124.6 | |||||
| 214 | K | 33.9 | Very low | 33.1 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 94.6 | 115.4 | 159.3 | -45.2 | -169.4 | -174.8 | 173.5 | 0 | 117.9 | ||||
| 215 | F | 32.6 | Very low | 33.1 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | cis | 78.6 | 134.2 | 48.8 | -73.2 | -59.5 | 0 | 0 | 0 | 113.1 | ||||
| 216 | Q | 36.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -174.7 | -178 | 4.3 | -172.8 | 154.4 | 12.2 | 0 | 0 | 113 | ||||
| 217 | I | 32.1 | Very low | 32.8 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 100.9 | 135.3 | 153.2 | -59.6 | -177.3 | 0 | 0 | 0 | 117.9 | ||||
| 218 | I | 35.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -169.6 | 141.8 | -26.1 | -106.1 | 162.2 | 0 | 0 | 0 | 109.3 | ||||
| 219 | K | 33.5 | Very low | 32.9 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 51.9 | 156.3 | 159.8 | -74.7 | 177.8 | 175.3 | -179.6 | 0 | 119.7 | ||||
| 220 | Q | 28.4 | Very low | 32.9 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | cis | -154.8 | 163.7 | 21.3 | -142.7 | 160.7 | 21.5 | 0 | 0 | 112 | ||||
| 221 | E | 30 | Very low | 32.9 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -90.7 | -175.2 | 177.6 | -116.2 | -162.1 | 179.4 | 0 | 0 | 112.9 | ||||
| 222 | P | 43.2 | Very low | 31.6 | Very low | 96 Ų | 96 | 156 Ų | 156 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | cis | -143.1 | 178.5 | 17.4 | 43.4 | -24.1 | 0 | 0 | 0 | 119.1 | ||||
| 223 | M | 34.1 | Very low | 31.8 | Very low | 160 Ų | 160 | 158 Ų | 158 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | 59.2 | 142.4 | 152.4 | -75.3 | 172.6 | 79.3 | 0 | 0 | 119.9 | ||||
| 224 | E | 32.7 | Very low | 31.9 | Very low | 155 Ų | 155 | 159 Ų | 159 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | cis | -154.3 | 173.3 | 5.9 | -96.2 | -120.3 | 142.6 | 0 | 0 | 111.6 | ||||
| 225 | L | 29.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 157 Ų | 157 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 99.5 | 86.4 | 150.3 | -144.3 | 70.3 | 0 | 0 | 0 | 119.9 | ||||
| 226 | E | 27.9 | Very low | 31.8 | Very low | 181 Ų | 181 | 160.2 Ų | 160.2 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -69.7 | 165.1 | 149.5 | -56.7 | 176 | 110.4 | 0 | 0 | 110.2 | ||||
| 227 | S | 28.7 | Very low | 31.5 | Very low | 83 Ų | 83 | 156.4 Ų | 156.4 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | cis | -136.1 | 177.4 | 9.5 | -40.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 228 | Y | 27.1 | Very low | 31.8 | Very low | 225 Ų | 225 | 154.6 Ų | 154.6 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | -153.9 | 168.9 | 51.5 | -37.7 | -80.9 | 0 | 0 | 0 | 111.8 | |||||
| 229 | T | 30.1 | Very low | 32.1 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 95% | 0.945 | 79% | 0.785 | S | S | * | * | trans | -83.8 | 172.7 | -166.7 | 18.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 230 | R | 29.7 | Very low | 32.5 | Very low | 210 Ų | 210 | 157.4 Ų | 157.4 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -132.2 | 141.3 | -153.9 | -170.1 | -144.6 | -103.5 | -127.3 | 8.9 | 113.1 | ||||
| 231 | E | 28.2 | Very low | 33.1 | Very low | 123 Ų | 123 | 153 Ų | 153 | 58% | 0.575 | 78% | 0.78 | S | S | * | * | trans | 60.4 | 152 | 149 | -81.2 | 176.9 | -97.9 | 0 | 0 | 120.6 | ||||
| 232 | T | 29.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | -155.6 | 152.6 | 74.2 | -46.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 233 | R | 34.6 | Very low | 33.9 | Very low | 197 Ų | 197 | 153 Ų | 153 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -78.1 | -173.9 | 169.8 | -52.3 | -178.8 | 177.8 | -179.2 | -2.3 | 111.1 | ||||
| 234 | D | 32.7 | Very low | 34.2 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -142.9 | 137.6 | 14.1 | -76.7 | -65.8 | 0 | 0 | 0 | 107.6 | ||||
| 235 | D | 33.7 | Very low | 34.6 | Very low | 146 Ų | 146 | 157.5 Ų | 157.5 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | 91.2 | 146.8 | 81.4 | -159.2 | 20.1 | 0 | 0 | 0 | 115.5 | |||||
| 236 | R | 31.3 | Very low | 35.2 | Very low | 233 Ų | 233 | 157.3 Ų | 157.3 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 69.3 | 109.1 | 173.3 | -88.5 | 180 | 172.5 | -145.4 | -4.6 | 121.4 | ||||
| 237 | G | 30 | Very low | 36.2 | Very low | 73 Ų | 73 | 159.4 Ų | 159.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 132.2 | 84.7 | 132.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 238 | S | 37.2 | Very low | 36.7 | Very low | 110 Ų | 110 | 164.3 Ų | 164.3 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -160.8 | 94.6 | 159.3 | -87.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 239 | Y | 41.3 | Very low | 37.1 | Very low | 240 Ų | 240 | 157.1 Ų | 157.1 | 94% | 0.941 | 81% | 0.811 | S | S | * | * | trans | -125.8 | 48.2 | 173.6 | -123 | -78.5 | 0 | 0 | 0 | 110.6 | ||||
| 240 | T | 42.3 | Very low | 37.3 | Very low | 132 Ų | 132 | 157.6 Ų | 157.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -140.7 | 0.2 | -174.1 | 56 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 241 | A | 40.5 | Very low | 37.8 | Very low | 86 Ų | 86 | 152.5 Ų | 152.5 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -120.7 | 51 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 242 | S | 46.6 | Very low | 38.3 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -144.7 | 11 | 179.6 | -50.1 | 0 | 0 | 0 | 0 | 117 | ||
| 243 | I | 43.1 | Very low | 38.6 | Very low | 158 Ų | 158 | 156 Ų | 156 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -98.6 | -17 | -177 | -62.8 | -176.6 | 0 | 0 | 0 | 113.3 | ||
| 244 | Y | 42.2 | Very low | 38.8 | Very low | 230 Ų | 230 | 149.5 Ų | 149.5 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -114.8 | 60.1 | -174.6 | -81.2 | -83.5 | 0 | 0 | 0 | 114.3 | ||||
| 245 | Q | 41.2 | Very low | 39 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -135.5 | 41.7 | 173.8 | -155.1 | -177.7 | 5.8 | 0 | 0 | 113.4 | ||||
| 246 | N | 41.9 | Very low | 38.9 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -145 | 22.3 | 178.9 | -90.1 | -50.4 | 0 | 0 | 0 | 115.2 | ||
| 247 | Y | 48.5 | Very low | 39.2 | Very low | 224 Ų | 224 | 149.8 Ų | 149.8 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | -140.1 | 74.4 | 177.4 | -96.2 | -86.5 | 0 | 0 | 0 | 113.2 | ||||
| 248 | M | 39.7 | Very low | 39.7 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -154.1 | 142.5 | 143.9 | -97 | -56.1 | 100.1 | 0 | 0 | 108.9 | ||
| 249 | G | 35.7 | Very low | 40.1 | Very low | 75 Ų | 75 | 152.2 Ų | 152.2 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -62.4 | 151.1 | -148.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 250 | N | 33.1 | Very low | 40.2 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -136.3 | 118.4 | 153.5 | -151.3 | 91 | 0 | 0 | 0 | 110.3 | ||||
| 251 | S | 41.3 | Very low | 40.2 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | -68.9 | 146.2 | 178.9 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 252 | F | 38 | Very low | 40.2 | Very low | 211 Ų | 211 | 152 Ų | 152 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | 14.8 | 113.5 | 163.2 | -75.4 | -91 | 0 | 0 | 0 | 119.7 | ||||
| 253 | S | 35.8 | Very low | 39.7 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | -155.3 | 149.9 | 122.1 | -164.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 254 | G | 39 | Very low | 39.4 | Very low | 60 Ų | 60 | 154 Ų | 154 | 62% | 0.619 | 83% | 0.831 | S | S | * | * | trans | -101.7 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 255 | Y | 37.3 | Very low | 38.9 | Very low | 218 Ų | 218 | 150 Ų | 150 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | 67.8 | 89.1 | 174.2 | -72.5 | -87.5 | 0 | 0 | 0 | 117.6 | ||||
| 256 | S | 32.1 | Very low | 38.7 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125 | 152.3 | -72.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 257 | H | 37.2 | Very low | 38.3 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 151.6 | 162 | -73.9 | -95.3 | 0 | 0 | 0 | 110.7 | ||
| 258 | S | 39.7 | Very low | 37.5 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75 | 145.7 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 259 | P | 45.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 150.3 | 176.7 | 32.9 | -34.7 | 0 | 0 | 0 | 111.9 | ||
| 260 | P | 43.4 | Very low | 37.1 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79 | 154.5 | 178.4 | 32.7 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 261 | L | 42.9 | Very low | 37 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.8 | 171.4 | -67 | 166.2 | 0 | 0 | 0 | 110.8 | ||
| 262 | L | 40.7 | Very low | 37.3 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -130.8 | 156.6 | 160.3 | -79.5 | -179.5 | 0 | 0 | 0 | 111.5 | ||||
| 263 | Q | 34.6 | Very low | 37.3 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -86.8 | 156.5 | -154.8 | -65.8 | 161 | -70.7 | 0 | 0 | 114.1 | ||||
| 264 | V | 38.3 | Very low | 37.7 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -64.5 | 132.6 | 170.2 | 169.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 265 | N | 31.6 | Very low | 37.9 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -159.4 | 114.3 | 143.7 | -104.4 | -32.2 | 0 | 0 | 0 | 114.3 | ||||
| 266 | R | 37 | Very low | 38 | Very low | 221 Ų | 221 | 143.1 Ų | 143.1 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 43.5 | 118.3 | 140.4 | -80.1 | -171.9 | 175 | -135.5 | -0.9 | 123 | ||||
| 267 | S | 32.2 | Very low | 38.5 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 118.9 | 144 | 113.3 | -75.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 268 | S | 32.8 | Very low | 38.5 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 139.9 | 149.9 | -168.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 269 | S | 34 | Very low | 38.8 | Very low | 90 Ų | 90 | 145.3 Ų | 145.3 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | -166.8 | 179.1 | -17.2 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 270 | N | 32.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 79 | 121 | 158.3 | -68.2 | 3.7 | 0 | 0 | 0 | 121.6 | ||||
| 271 | S | 31.9 | Very low | 38.4 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -76.3 | -177.9 | 159 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 272 | P | 47.8 | Very low | 38.7 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | -130.7 | 166.6 | 99.5 | 37.4 | -30.7 | 0 | 0 | 0 | 115 | |||||
| 273 | R | 36.1 | Very low | 38.8 | Very low | 228 Ų | 228 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -77 | 161.1 | 174.6 | -60 | 163.2 | 106.4 | 96.7 | -8 | 110.8 | ||||
| 274 | T | 44.3 | Very low | 39.2 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -122.4 | 116.6 | 143.1 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 275 | S | 43 | Very low | 39.4 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -58.5 | 129.2 | 162 | 44 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 276 | E | 41.3 | Very low | 40.1 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 95.6 | 99 | 67.5 | 94.2 | -154.6 | 35.8 | 0 | 0 | 113.8 | |||||
| 277 | T | 41.9 | Very low | 40.5 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -173.8 | 148.7 | 159.1 | 41.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 278 | D | 37.3 | Very low | 41.1 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | cis | -152.9 | 162.2 | -20.4 | -179.7 | 24.8 | 0 | 0 | 0 | 105.9 | ||||
| 279 | D | 46.3 | Very low | 41.7 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 136.4 | -171.9 | -91.2 | -63.6 | 0 | 0 | 0 | 114 | ||||
| 280 | G | 38.4 | Very low | 42.4 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -174.6 | 94.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 281 | V | 42.1 | Very low | 43.5 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 63.3 | 105 | 149.3 | 179.6 | 0 | 0 | 0 | 0 | 119 | G283 | V281-G283 PolarHBondContact O-N 2.69Š| ||
| 282 | V | 48.5 | Very low | 44.5 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 12 | 95.4 | 136.7 | -170.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 283 | G | 42.2 | Very low | 44.4 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -124 | 110.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V281 | V281-G283 PolarHBondContact O-N 2.69Š| ||
| 284 | K | 43.3 | Very low | 44.8 | Very low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 131.8 | 179.5 | -66.7 | 173.2 | 179.2 | 175.1 | 0 | 110.1 | S286 | K284-S286 PolarHBondContact O-N 2.72Š| ||
| 285 | S | 42.4 | Very low | 44.8 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -58.4 | 115.7 | 163 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 286 | S | 46.6 | Very low | 44.9 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -125.7 | 80.4 | 166.7 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | K284 G288 | K284-S286 PolarHBondContact O-N 2.72Å; S286-G288 PolarHBondContact O-N 3.11Å | ||
| 287 | D | 46.6 | Very low | 45.2 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -65 | 96.7 | 168.4 | -175.9 | 30.5 | 0 | 0 | 0 | 107.8 | ||||
| 288 | G | 44.3 | Very low | 45.6 | Very low | 51 Ų | 51 | 133.4 Ų | 133.4 | 53% | 0.526 | 78% | 0.777 | S | S | . | * | trans | -106.4 | 111.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S286 | S286-G288 PolarHBondContact O-N 3.11Š| ||
| 289 | E | 44.3 | Very low | 45.6 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 53 | 71.8 | 139.4 | -49.4 | -73.4 | 98.5 | 0 | 0 | 117 | E291 | E289-E291 PolarHBondContact O-N 2.96Š| ||
| 290 | D | 48.8 | Very low | 45 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -74.9 | 60.9 | 152.9 | -175.8 | 25.8 | 0 | 0 | 0 | 110.1 | Q292 | D290-Q292 PolarHBondContact O-N 3.34Š| ||
| 291 | E | 55.9 | Low | 44.8 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -83 | 91.9 | 164.3 | -75.3 | -135 | 142.2 | 0 | 0 | 108.9 | E289 Q293 | E289-E291 PolarHBondContact O-N 2.96Å; E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-Q293 PolarHBondContact O-N 2.95Å | ||
| 292 | Q | 53.3 | Low | 44.7 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -59.4 | 97.8 | 163.1 | -78.9 | -167.4 | -17.4 | 0 | 0 | 109.9 | D290 V294 | D290-Q292 PolarHBondContact O-N 3.34Å; Q292-V294 PolarHBondContact O-N 3.42Å | ||
| 293 | Q | 45.5 | Very low | 44.1 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -63.3 | 103.5 | 174.9 | -68.7 | 176.7 | 6 | 0 | 0 | 109.6 | E291 P295 | E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-Q293 PolarHBondContact O-N 2.95Å; Q293-P295 WeakPolarHBondContact O-CD 3.25Å | ||
| 294 | V | 44.9 | Very low | 44 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -59.6 | 123.7 | 165.7 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | Q292 K296 | Q292-V294 PolarHBondContact O-N 3.42Å; V294-K296 PolarHBondContact O-N 3.26Å | ||
| 295 | P | 43.2 | Very low | 43.6 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -55.3 | 115.2 | 179.4 | -28.2 | 36.1 | 0 | 0 | 0 | 110.9 | Q293 G297 | Q293-P295 WeakPolarHBondContact O-CD 3.25Å; P295-G297 PolarHBondContact O-N 3.14Å; P295-G297 VanDerWaalsContact O-N 3.15Å | ||
| 296 | K | 45.9 | Very low | 43.1 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 111 | 177 | -69.4 | -177.1 | -179.9 | 175.4 | 0 | 108.2 | V294 | V294-K296 PolarHBondContact O-N 3.26Š| ||
| 297 | G | 46.9 | Very low | 42.7 | Very low | 52 Ų | 52 | 145.6 Ų | 145.6 | 54% | 0.536 | 78% | 0.779 | S | S | . | * | trans | -59.9 | 158 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P295 I299 | P295-G297 PolarHBondContact O-N 3.14Å; P295-G297 VanDerWaalsContact O-N 3.15Å; G297-I299 PolarHBondContact O-N 3.31Å | ||
| 298 | P | 50.2 | Low | 41.9 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -56 | 125.4 | -175.6 | -26.7 | 35.6 | 0 | 0 | 0 | 113.1 | H300 | P298-H300 PolarHBondContact O-N 2.89Š| ||
| 299 | I | 37.3 | Very low | 41.4 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 108.3 | 175.6 | -51.8 | 172.4 | 0 | 0 | 0 | 107.7 | G297 | G297-I299 PolarHBondContact O-N 3.31Š| ||
| 300 | H | 33.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 136.2 | 170.2 | -78.2 | -84.5 | 0 | 0 | 0 | 111.1 | P298 | P298-H300 PolarHBondContact O-N 2.89Š|
| 301 | S | 34.6 | Very low | 39.9 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 156.5 | 176.6 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 302 | P | 39.3 | Very low | 39.5 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 126.9 | 176.3 | 31.8 | -32.4 | 0 | 0 | 0 | 110.8 | ||
| 303 | V | 36.1 | Very low | 38.5 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -114.5 | 116 | 161.7 | 174.4 | 0 | 0 | 0 | 0 | 107.3 | L305 | V303-L305 PolarHBondContact O-N 3.21Š| ||
| 304 | E | 41.2 | Very low | 38.6 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -65.5 | 128.9 | 170.7 | -68.3 | -179.2 | 116.6 | 0 | 0 | 110.2 | ||||
| 305 | L | 34.7 | Very low | 38.3 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -134.5 | 142.4 | 162.2 | -97.1 | 168.6 | 0 | 0 | 0 | 110.8 | V303 | V303-L305 PolarHBondContact O-N 3.21Š| ||
| 306 | K | 32.3 | Very low | 38.2 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -83.3 | 153.3 | -154.4 | -64.5 | 174.6 | 177.9 | 176.2 | 0 | 113.4 | ||||
| 307 | H | 36.6 | Very low | 38.1 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -57.1 | 136.9 | 174.2 | -64.7 | -75.6 | 0 | 0 | 0 | 113.6 | ||||
| 308 | V | 30 | Very low | 38.4 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -137.3 | 136.7 | 156.4 | -178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 309 | H | 35.2 | Very low | 38.3 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -98.9 | 132.5 | -176.1 | -67.1 | -95.7 | 0 | 0 | 0 | 112.6 | ||||
| 310 | A | 29.1 | Very low | 39.3 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | 168.1 | 148.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 311 | T | 32.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -153.4 | 147.4 | -12.1 | 13.7 | 0 | 0 | 0 | 0 | 106.7 | V313 | T311-V313 PolarHBondContact O-N 3.46Š| ||
| 312 | V | 45.8 | Very low | 42.2 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -73.5 | 112.8 | -177.3 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 313 | V | 34.3 | Very low | 43.8 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -110.2 | 121.8 | 162.2 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | T311 V315 | T311-V313 PolarHBondContact O-N 3.46Å; V313-V315 PolarHBondContact O-N 3.37Å | ||
| 314 | K | 47 | Very low | 46 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | trans | -94.2 | 87.6 | -165.5 | -156.8 | 167.4 | -173.5 | 174.6 | 0 | 110.6 | ||||
| 315 | V | 39.2 | Very low | 47.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -79.7 | 135.6 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | V313 E317 | V313-V315 PolarHBondContact O-N 3.37Å; V315-E317 PolarHBondContact O-N 2.81Å | ||
| 316 | P | 40.6 | Very low | 49.6 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | trans | -58 | 126.7 | -177.1 | -27.5 | 36.1 | 0 | 0 | 0 | 113.8 | V318 | P316-V318 PolarHBondContact O-N 2.96Š| ||
| 317 | E | 43.4 | Very low | 51.5 | Low | 171 Ų | 171 | 124.7 Ų | 124.7 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | trans | -73.1 | 111.6 | -178.8 | -169.4 | 176.2 | -169.9 | 0 | 0 | 110.7 | V315 N319 | V315-E317 PolarHBondContact O-N 2.81Å; E317-N319 PolarHBondContact O-N 2.92Å; E317-N319 PolarHBondContact O-OD1 3.35Å | ||
| 318 | V | 53.2 | Low | 53.4 | Low | 132 Ų | 132 | 120.2 Ų | 120.2 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | trans | -81.3 | 100.7 | 172.4 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | P316 S320 | P316-V318 PolarHBondContact O-N 2.96Å; V318-S320 PolarHBondContact O-N 3.28Å; V318-S320 PolarHBondContact O-OG 3.01Å | ||
| 319 | N | 49 | Very low | 55.5 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | trans | -45.7 | 84.6 | -169 | -57.2 | -31.1 | 0 | 0 | 0 | 116 | E317 S321 A322 | E317-N319 PolarHBondContact O-N 2.92Å; E317-N319 PolarHBondContact O-OD1 3.35Å; N319-S321 PolarHBondContact O-N 3.44Å; N319-A322 PolarHBondContact O-N 2.98Å | ||
| 320 | S | 56.9 | Low | 57.3 | Low | 59 Ų | 59 | 116.4 Ų | 116.4 | 41% | 0.413 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | 2 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 114 | V318 R328 | V318-S320 PolarHBondContact O-N 3.28Å; V318-S320 PolarHBondContact O-OG 3.01Å; S320-R328 PolarHBondContact O-NE 3.3Å |
| 321 | S | 62.2 | Low | 59.1 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -33.7 | 175 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | N319 L323 R328 | N319-S321 PolarHBondContact O-N 3.44Å; S321-L323 PolarHBondContact O-N 3.5Å; S321-R328 PolarHBondContact O-NH2 3.22Å |
| 322 | A | 67.3 | Low | 60.6 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -69.8 | -16.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N319 | N319-A322 PolarHBondContact O-N 2.98Š|
| 323 | L | 73.8 | Confident | 61.5 | Low | 73 Ų | 73 | 112.7 Ų | 112.7 | 38% | 0.382 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -77.1 | 139.5 | 178.7 | -68 | 176.6 | 0 | 0 | 0 | 112 | S321 H325 L327 R328 | S321-L323 PolarHBondContact O-N 3.5Å; L323-H325 PolarHBondContact O-N 3.31Å; L323-L327 HydrophobicContact CB-CB 4.26Å; L323-R328 PolarHBondContact O-NH2 3Å; L323-R328 VanDerWaalsContact O-NH2 3.13Å |
| 324 | P | 82.3 | Confident | 62.5 | Low | 87 Ų | 87 | 113.4 Ų | 113.4 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | trans | -48.5 | 139.6 | 169.2 | -28.6 | 33.8 | 0 | 0 | 0 | 112 | K326 L327 R328 | P324-K326 PolarHBondContact O-N 3.34Å; P324-L327 HydrophobicContact CG-CD1 4.46Å; P324-L327 WeakPolarHBondContact O-CA 3.43Å; P324-L327 WeakPolarHBondContact O-CB 3.46Å; P324-L327 PolarHBondContact O-N 3.3Å; P324-R328 PolarHBondContact O-N 3.46Å; P324-R328 VanDerWaalsContact O-N 3.14Å | ||
| 325 | H | 72 | Confident | 62.8 | Low | 125 Ų | 125 | 111.7 Ų | 111.7 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -49.3 | -38.2 | -169.3 | -178 | 68.2 | 0 | 0 | 0 | 114.7 | L323 L327 R328 I329 | L323-H325 PolarHBondContact O-N 3.31Å; H325-L327 PolarHBondContact O-N 3.41Å; H325-R328 WeakPolarHBondContact O-CB 3.35Å; H325-R328 PolarHBondContact O-N 3.03Å; H325-I329 WeakPolarHBondContact O-CG1 3.3Å; H325-I329 PolarHBondContact O-N 3.2Å; H325-I329 VanDerWaalsContact O-N 3.12Å |
| 326 | K | 78 | Confident | 63.3 | Low | 180 Ų | 180 | 113 Ų | 113 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.3 | -39.3 | 175.2 | -70.6 | -167.9 | 172.8 | -168.1 | 0 | 113.8 | P324 K330 | P324-K326 PolarHBondContact O-N 3.34Å; K326-K330 PolarHBondContact O-N 3.19Å |
| 327 | L | 72.6 | Confident | 63.7 | Low | 90 Ų | 90 | 114.8 Ų | 114.8 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.9 | -32.9 | 177.1 | -65 | 179.9 | 0 | 0 | 0 | 111.3 | L323 P324 H325 K330 A331 | L323-L327 HydrophobicContact CB-CB 4.26Å; P324-L327 HydrophobicContact CG-CD1 4.46Å; P324-L327 WeakPolarHBondContact O-CA 3.43Å; P324-L327 WeakPolarHBondContact O-CB 3.46Å; P324-L327 PolarHBondContact O-N 3.3Å; H325-L327 PolarHBondContact O-N 3.41Å; L327-K330 PolarHBondContact O-N 3.26Å; L327-A331 WeakPolarHBondContact O-CB 3.31Å; L327-A331 PolarHBondContact O-N 2.96Å |
| 328 | R | 76.7 | Confident | 63.5 | Low | 88 Ų | 88 | 113.5 Ų | 113.5 | 33% | 0.332 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 173.3 | -165.6 | -175.1 | -56.1 | 143.6 | 6.5 | 112.6 | S320 S321 L323 P324 H325 K332 | S320-R328 PolarHBondContact O-NE 3.3Å; S321-R328 PolarHBondContact O-NH2 3.22Å; L323-R328 PolarHBondContact O-NH2 3Å; L323-R328 VanDerWaalsContact O-NH2 3.13Å; P324-R328 PolarHBondContact O-N 3.46Å; P324-R328 VanDerWaalsContact O-N 3.14Å; H325-R328 WeakPolarHBondContact O-CB 3.35Å; H325-R328 PolarHBondContact O-N 3.03Å; R328-K332 PolarHBondContact O-N 2.85Å; R328-K332 VanDerWaalsContact O-N 3.14Å |
| 329 | I | 74.1 | Confident | 62.9 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.3 | -46.5 | 174.1 | -65.4 | 167.1 | 0 | 0 | 0 | 110.2 | H325 A331 K332 A333 | H325-I329 WeakPolarHBondContact O-CG1 3.3Å; H325-I329 PolarHBondContact O-N 3.2Å; H325-I329 VanDerWaalsContact O-N 3.12Å; I329-A331 PolarHBondContact O-N 2.95Å; I329-K332 PolarHBondContact O-N 3.3Å; I329-A333 PolarHBondContact O-N 3.47Å; I329-A333 VanDerWaalsContact O-N 3.14Å |
| 330 | K | 73.1 | Confident | 62.4 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62 | -42.4 | 179 | -165.7 | -179.4 | 180 | -173.1 | 0 | 112.4 | K326 L327 A333 M334 | K326-K330 PolarHBondContact O-N 3.19Å; L327-K330 PolarHBondContact O-N 3.26Å; K330-A333 PolarHBondContact O-N 3.15Å; K330-M334 PolarHBondContact O-N 3.5Å |
| 331 | A | 67.4 | Low | 61.2 | Low | 36 Ų | 36 | 119.3 Ų | 119.3 | 30% | 0.298 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.9 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L327 I329 A333 M334 | L327-A331 WeakPolarHBondContact O-CB 3.31Å; L327-A331 PolarHBondContact O-N 2.96Å; I329-A331 PolarHBondContact O-N 2.95Å; A331-A333 VanDerWaalsContact C-N 3.32Å; A331-A333 PolarHBondContact O-N 2.97Å; A331-M334 PolarHBondContact O-N 3.27Å |
| 332 | K | 64.6 | Low | 60 | Low | 168 Ų | 168 | 122.1 Ų | 122.1 | 73% | 0.73 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.5 | -31.1 | 174.3 | -80.2 | -164.6 | 166.8 | -163.5 | 0 | 113.4 | R328 I329 M334 | R328-K332 PolarHBondContact O-N 2.85Å; R328-K332 VanDerWaalsContact O-N 3.14Å; I329-K332 PolarHBondContact O-N 3.3Å; K332-M334 VanDerWaalsContact C-N 3.31Å; K332-M334 PolarHBondContact O-N 3.27Å |
| 333 | A | 63.5 | Low | 58.7 | Low | 75 Ų | 75 | 125.6 Ų | 125.6 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.6 | -12.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I329 K330 A331 | I329-A333 PolarHBondContact O-N 3.47Å; I329-A333 VanDerWaalsContact O-N 3.14Å; K330-A333 PolarHBondContact O-N 3.15Å; A331-A333 VanDerWaalsContact C-N 3.32Å; A331-A333 PolarHBondContact O-N 2.97Å |
| 334 | M | 55.6 | Low | 57 | Low | 143 Ų | 143 | 130.5 Ų | 130.5 | 70% | 0.704 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -4.5 | -177.9 | -71 | 180 | 66.9 | 0 | 0 | 114.3 | K330 A331 K332 I336 | K330-M334 PolarHBondContact O-N 3.5Å; A331-M334 PolarHBondContact O-N 3.27Å; K332-M334 VanDerWaalsContact C-N 3.31Å; K332-M334 PolarHBondContact O-N 3.27Å; M334-I336 VanDerWaalsContact C-N 3.28Å; M334-I336 PolarHBondContact O-N 3.49Å; M334-I336 VanDerWaalsContact O-N 3.09Å |
| 335 | Q | 54.2 | Low | 54.7 | Low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -86.6 | 60.5 | 179.4 | -64.6 | -174.6 | 11.2 | 0 | 0 | 111.8 | ||||
| 336 | I | 49.7 | Very low | 52.7 | Low | 148 Ų | 148 | 139 Ų | 139 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -134.2 | 118.7 | 171.8 | -59.1 | -178.2 | 0 | 0 | 0 | 109.9 | M334 | M334-I336 VanDerWaalsContact C-N 3.28Å; M334-I336 PolarHBondContact O-N 3.49Å; M334-I336 VanDerWaalsContact O-N 3.09Å | ||
| 337 | K | 47.2 | Very low | 50.5 | Low | 151 Ų | 151 | 135 Ų | 135 | 66% | 0.657 | 69% | 0.694 | S | S | * | * | trans | 64.5 | 87.6 | 164.4 | -160.7 | 158.5 | -174.6 | 163.4 | 0 | 118.1 | E339 | K337-E339 WeakPolarHBondContact CE-OE1 3.39Å; K337-E339 WeakPolarHBondContact CE-OE2 3.31Å; K337-E339 IonicContact NZ-OE1 3.46Å; K337-E339 PolarHBondContact NZ-OE1 2.75Å; K337-E339 IonicContact NZ-OE2 3.23Å; K337-E339 PolarHBondContact NZ-OE2 2.87Å | ||
| 338 | V | 39.5 | Very low | 48.9 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 88% | 0.879 | 71% | 0.707 | S | S | * | * | trans | -109.4 | 108.4 | 142.6 | 174.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 339 | E | 41.4 | Very low | 46.8 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | trans | -81.1 | 132 | 166.2 | -93.2 | 166.1 | -178.7 | 0 | 0 | 108.3 | K337 | K337-E339 WeakPolarHBondContact CE-OE1 3.39Å; K337-E339 WeakPolarHBondContact CE-OE2 3.31Å; K337-E339 IonicContact NZ-OE1 3.46Å; K337-E339 PolarHBondContact NZ-OE1 2.75Å; K337-E339 IonicContact NZ-OE2 3.23Å; K337-E339 PolarHBondContact NZ-OE2 2.87Å | ||
| 340 | A | 38.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | -82.8 | 132.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 341 | F | 32 | Very low | 43 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -101.7 | 109.7 | 154.5 | -98.2 | -87.5 | 0 | 0 | 0 | 107.1 | ||||
| 342 | D | 37.3 | Very low | 41.1 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -65.9 | 133.6 | 159.9 | -74.7 | -46.1 | 0 | 0 | 0 | 108.3 | ||||
| 343 | N | 38.9 | Very low | 39.5 | Very low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -147.7 | 103.1 | 156.1 | -145.2 | 65.8 | 0 | 0 | 0 | 108.3 | ||||
| 344 | E | 38.3 | Very low | 38.7 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -63.1 | 131.3 | 179.6 | -55.6 | 172.1 | 146.9 | 0 | 0 | 110 | ||||
| 345 | F | 32.9 | Very low | 37.6 | Very low | 212 Ų | 212 | 152.1 Ų | 152.1 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -155.8 | 127 | 141 | -129.9 | -86.2 | 0 | 0 | 0 | 111.6 | ||||
| 346 | E | 31.6 | Very low | 36.6 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -98 | 124 | -172.9 | -179.9 | 178.6 | -167 | 0 | 0 | 110.4 | ||||
| 347 | A | 30.9 | Very low | 35.8 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -156.6 | 98.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 348 | T | 38.5 | Very low | 35.2 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -43 | 136 | 171.1 | 53 | 0 | 0 | 0 | 0 | 116 | ||||
| 349 | Q | 32.8 | Very low | 35 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | -161.1 | 138.6 | 124.2 | -110.1 | 170.8 | 44.8 | 0 | 0 | 112.2 | |||||
| 350 | K | 33.8 | Very low | 34.9 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -100.2 | 139.1 | -176.4 | -78.4 | -178.4 | 175.9 | 177.1 | 0 | 111.7 | ||||
| 351 | L | 33.8 | Very low | 34.6 | Very low | 164 Ų | 164 | 160 Ų | 160 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | 40.4 | 122.3 | 135.8 | -55.7 | 169.8 | 0 | 0 | 0 | 119.1 | ||||
| 352 | S | 28.9 | Very low | 34.4 | Very low | 122 Ų | 122 | 157.5 Ų | 157.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | -163.1 | 153.6 | 106.8 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 353 | S | 29.3 | Very low | 34.2 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -152.2 | 175.3 | 162.4 | 64.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 354 | P | 47.9 | Very low | 33.8 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | -117.4 | 166.2 | -72.4 | 37.1 | -26.4 | 0 | 0 | 0 | 110.6 | |||||
| 355 | I | 32.5 | Very low | 33.4 | Very low | 168 Ų | 168 | 156 Ų | 156 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | -145.4 | 134.3 | 162.3 | -112.7 | 151.4 | 0 | 0 | 0 | 112.5 | ||||
| 356 | D | 33.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -92.6 | 138.4 | 175.6 | 174.4 | 22.2 | 0 | 0 | 0 | 108.8 | ||||
| 357 | M | 31.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -151.3 | 110.4 | 163 | -87.3 | -53 | 167.8 | 0 | 0 | 112 | ||||
| 358 | T | 34.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 158.8 Ų | 158.8 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -70.8 | 147.4 | 161.6 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 359 | S | 36.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 158.8 Ų | 158.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -161.9 | 126.4 | 153.3 | -90.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 360 | K | 37.8 | Very low | 32.9 | Very low | 202 Ų | 202 | 153.2 Ų | 153.2 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -67.3 | 150.4 | 166.5 | -71.7 | 174.2 | 172 | 176.2 | 0 | 111 | ||||
| 361 | R | 34.3 | Very low | 33.7 | Very low | 251 Ų | 251 | 149.8 Ų | 149.8 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | trans | -149.4 | 156.5 | 137.3 | -123.7 | 177.2 | -81.4 | 172.8 | -5 | 111 | ||||
| 362 | H | 27.1 | Very low | 33.6 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 168.7 | -167 | 173.1 | -87.3 | 0 | 0 | 0 | 108.6 | ||||
| 363 | F | 33 | Very low | 33.8 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | 81.9 | 136.4 | -175.9 | -66.3 | -74.5 | 0 | 0 | 0 | 114.9 | ||||
| 364 | E | 30 | Very low | 34.1 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -159.5 | 166.8 | -9.8 | -148 | 175.2 | 156.4 | 0 | 0 | 112.5 | ||||
| 365 | L | 31.3 | Very low | 33.4 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 24.2 | 122.7 | 151.6 | -105.7 | 57.7 | 0 | 0 | 0 | 121.2 | ||||
| 366 | E | 26.8 | Very low | 33.3 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -150.8 | 154.5 | 110.2 | -144.1 | 176.7 | 169.9 | 0 | 0 | 110.6 | |||||
| 367 | K | 33.8 | Very low | 33.4 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -154.3 | 97.7 | -160.1 | 179.9 | -159.6 | -175.8 | -178.4 | 0 | 113.2 | ||||
| 368 | H | 32.8 | Very low | 33.6 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -143.6 | 128.1 | 167.4 | -75.4 | -65.9 | 0 | 0 | 0 | 116 | ||||
| 369 | S | 28.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 55.7 | 117.9 | 151.4 | -133.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 370 | A | 33.4 | Very low | 34.3 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -87 | -168.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 371 | P | 50.3 | Low | 34.2 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -141.3 | 173.5 | 13 | 42.9 | -23.8 | 0 | 0 | 0 | 118.5 | ||||
| 372 | S | 31.5 | Very low | 34.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | 136.1 | 127.7 | 126 | -162.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 373 | M | 33.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | trans | 55.8 | 145.3 | 154.2 | -68.6 | 163 | 61.1 | 0 | 0 | 118.6 | ||||
| 374 | V | 36.9 | Very low | 35.8 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | cis | -141.5 | 175.5 | 35.6 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 375 | H | 33.3 | Very low | 36.4 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -84.6 | 166.9 | -159.2 | -62.6 | -102.9 | 0 | 0 | 0 | 120.2 | ||||
| 376 | S | 29.7 | Very low | 37.2 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 78.2 | 148.6 | 148.9 | -82.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 377 | S | 34.1 | Very low | 38.1 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -139.3 | 160.8 | 13.9 | 53.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 378 | L | 36.8 | Very low | 39 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -96.7 | 154 | 172 | -77.4 | 158.7 | 0 | 0 | 0 | 111.6 | ||||
| 379 | T | 38.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | -165 | 156.5 | 135.1 | 16.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 380 | P | 47.1 | Very low | 40.3 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | -124.6 | 147.5 | -148 | 39.5 | -26.3 | 0 | 0 | 0 | 115.7 | ||||
| 381 | F | 35.7 | Very low | 40.8 | Very low | 215 Ų | 215 | 138.1 Ų | 138.1 | 94% | 0.943 | 76% | 0.759 | S | S | * | * | trans | -154.5 | 98.5 | 145.1 | -85.6 | -65.8 | 0 | 0 | 0 | 110.5 | ||||
| 382 | S | 42.4 | Very low | 40.4 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -137.7 | 97 | 165.2 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | Q384 | S382-Q384 PolarHBondContact O-N 3.23Å; S382-Q384 VanDerWaalsContact O-N 3.16Å | ||
| 383 | V | 42.9 | Very low | 41 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | -77.1 | 96.3 | 167.8 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | V385 | V383-V385 PolarHBondContact O-N 2.89Å; V383-V385 VanDerWaalsContact O-N 3.15Å | ||
| 384 | Q | 42.5 | Very low | 41 | Very low | 149 Ų | 149 | 141 Ų | 141 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | -69.7 | 106.6 | 172.8 | -66.5 | -175.3 | -7.6 | 0 | 0 | 108.8 | S382 T386 | S382-Q384 PolarHBondContact O-N 3.23Å; S382-Q384 VanDerWaalsContact O-N 3.16Å; Q384-T386 VanDerWaalsContact C-N 3.27Å; Q384-T386 HydrophobicContact CB-CG2 4.26Å; Q384-T386 PolarHBondContact O-N 3.28Å | ||
| 385 | V | 42.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -77.3 | 82.7 | 170.7 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | V383 N387 | V383-V385 PolarHBondContact O-N 2.89Å; V383-V385 VanDerWaalsContact O-N 3.15Å; V385-N387 PolarHBondContact O-N 3.44Å | ||
| 386 | T | 47.7 | Very low | 41 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -94.1 | 70.8 | 173.5 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | Q384 | Q384-T386 VanDerWaalsContact C-N 3.27Å; Q384-T386 HydrophobicContact CB-CG2 4.26Å; Q384-T386 PolarHBondContact O-N 3.28Å | ||
| 387 | N | 45.7 | Very low | 41.1 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 49% | 0.487 | 75% | 0.753 | S | S | . | * | trans | -153.8 | 110.5 | 148.6 | -172.7 | 1.4 | 0 | 0 | 0 | 110.4 | V385 Q389 D390 | V385-N387 PolarHBondContact O-N 3.44Å; N387-Q389 PolarHBondContact OD1-N 3.45Å; N387-D390 PolarHBondContact ND2-OD2 3.25Å | ||
| 388 | I | 53.9 | Low | 41 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -133.3 | 24.9 | 167.9 | -32.5 | 178.1 | 0 | 0 | 0 | 109.7 | ||||
| 389 | Q | 46.7 | Very low | 40.9 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -96 | -10.2 | -176.1 | -85.4 | 168.4 | -30.2 | 0 | 0 | 113.9 | N387 | N387-Q389 PolarHBondContact OD1-N 3.45Š| ||
| 390 | D | 41.2 | Very low | 40.6 | Very low | 127 Ų | 127 | 151 Ų | 151 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -87.1 | -7.8 | 178 | -61.7 | -44.5 | 0 | 0 | 0 | 114.4 | N387 S392 | N387-D390 PolarHBondContact ND2-OD2 3.25Å; D390-S392 PolarHBondContact O-N 2.98Å; D390-S392 VanDerWaalsContact O-N 3.09Å |
| 391 | W | 43.3 | Very low | 39.8 | Very low | 225 Ų | 225 | 156.2 Ų | 156.2 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -86.7 | 53.6 | 174.9 | -78.2 | 66.6 | 0 | 0 | 0 | 112.2 | L393 | W391-L393 PolarHBondContact O-N 2.95Š| ||
| 392 | S | 41.8 | Very low | 39.6 | Very low | 87 Ų | 87 | 153.2 Ų | 153.2 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | trans | -74 | 112.6 | 171 | 78.3 | 0 | 0 | 0 | 0 | 110.3 | D390 K394 | D390-S392 PolarHBondContact O-N 2.98Å; D390-S392 VanDerWaalsContact O-N 3.09Å; S392-K394 PolarHBondContact O-N 3.34Å | ||
| 393 | L | 44.2 | Very low | 39.1 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -62.7 | 105 | 168.9 | -91.2 | 81.5 | 0 | 0 | 0 | 109.4 | W391 | W391-L393 PolarHBondContact O-N 2.95Š| ||
| 394 | K | 33.3 | Very low | 38.5 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -91.3 | 93.2 | 158.7 | -73.2 | -71.3 | -177.4 | 175 | 0 | 108.7 | S392 E396 | S392-K394 PolarHBondContact O-N 3.34Å; K394-E396 PolarHBondContact O-N 3Å; K394-E396 VanDerWaalsContact O-N 3.15Å | ||
| 395 | S | 39.3 | Very low | 37.8 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -70.2 | 100 | 164 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | H397 | S395-H397 PolarHBondContact O-N 3.44Å; S395-H397 VanDerWaalsContact O-N 3.1Å | ||
| 396 | E | 31.2 | Very low | 37.3 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 100.3 | 170.1 | -76.9 | -166.8 | 139.7 | 0 | 0 | 109.7 | K394 | K394-E396 PolarHBondContact O-N 3Å; K394-E396 VanDerWaalsContact O-N 3.15Å | ||
| 397 | H | 32.6 | Very low | 36.5 | Very low | 152 Ų | 152 | 156.3 Ų | 156.3 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | -66.3 | 134.2 | 163 | -87.8 | 82.3 | 0 | 0 | 0 | 109.8 | S395 H399 | S395-H397 PolarHBondContact O-N 3.44Å; S395-H397 VanDerWaalsContact O-N 3.1Å; H397-H399 PolarHBondContact O-N 3.38Å | ||
| 398 | W | 30.5 | Very low | 36 | Very low | 253 Ų | 253 | 160 Ų | 160 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -56.2 | 117.2 | 173.2 | -73.5 | 82.9 | 0 | 0 | 0 | 111.6 | ||||
| 399 | H | 34.5 | Very low | 34.9 | Very low | 181 Ų | 181 | 160.8 Ų | 160.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -100.7 | 103.2 | 166.8 | -85.7 | -59.5 | 0 | 0 | 0 | 111.4 | H397 | H397-H399 PolarHBondContact O-N 3.38Š| ||
| 400 | Q | 34.4 | Very low | 34.1 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 127.5 | 163.2 | -179.3 | 178.2 | 2.7 | 0 | 0 | 109.4 | ||||
| 401 | K | 30 | Very low | 33.7 | Very low | 209 Ų | 209 | 161 Ų | 161 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -145.1 | 122 | 167 | -145 | 171.8 | -171.9 | 177.8 | 0 | 111.8 | ||||
| 402 | E | 30.5 | Very low | 33.2 | Very low | 153 Ų | 153 | 159.5 Ų | 159.5 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | -86.3 | 158 | -178.3 | -99.1 | -175.2 | 133 | 0 | 0 | 113.4 | ||||
| 403 | L | 33.2 | Very low | 32.7 | Very low | 141 Ų | 141 | 162 Ų | 162 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | 60.3 | 111.1 | 145.4 | -68.6 | 163.1 | 0 | 0 | 0 | 119.9 | ||||
| 404 | S | 28.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | 144.8 | 139.4 | 102.5 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 405 | G | 27.5 | Very low | 31.7 | Very low | 81 Ų | 81 | 155.4 Ų | 155.4 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 168.6 | 121.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 406 | K | 34.1 | Very low | 31.4 | Very low | 194 Ų | 194 | 157.7 Ų | 157.7 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -140.6 | 115.5 | -160.1 | 175.6 | -173.9 | 179.2 | -178.7 | 0 | 112.2 | ||||
| 407 | T | 30.9 | Very low | 31.4 | Very low | 140 Ų | 140 | 156.3 Ų | 156.3 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -165.4 | 108.5 | 166.9 | 15.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 408 | Q | 35.3 | Very low | 31.4 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | 61.1 | 97.8 | 70.7 | -71.2 | -139.3 | -70.1 | 0 | 0 | 116.4 | |||||
| 409 | N | 30.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | 178.9 | 119.7 | 130.1 | -89.7 | -23.1 | 0 | 0 | 0 | 107 | ||||
| 410 | S | 29.2 | Very low | 31.2 | Very low | 94 Ų | 94 | 154 Ų | 154 | 66% | 0.657 | 83% | 0.825 | S | S | * | * | cis | 77.9 | 84.8 | 48.1 | -172.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 411 | F | 32.9 | Very low | 31.1 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -143.4 | 133.8 | 143 | -87 | -73.1 | 0 | 0 | 0 | 110.8 | ||||
| 412 | K | 32.8 | Very low | 31.1 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 164.6 | 162.6 | -49.2 | 173.1 | -179.7 | 176.1 | 0 | 106.5 | ||||
| 413 | T | 30.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | cis | -164.5 | 154.2 | 30.8 | -63.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 414 | G | 27.7 | Very low | 31.2 | Very low | 74 Ų | 74 | 150.7 Ų | 150.7 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 166.5 | 95.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 415 | V | 30.2 | Very low | 31.5 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -85.1 | 126.2 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 416 | V | 33.1 | Very low | 32 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -144.8 | 133.5 | 133.4 | 175.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 417 | E | 30.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | -95.7 | 121.5 | -176.9 | -177.9 | 178.2 | -168.6 | 0 | 0 | 110.6 | ||||
| 418 | M | 31.9 | Very low | 32.8 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -136.8 | 126.2 | 156.6 | -95.7 | -63.8 | 133.9 | 0 | 0 | 109 | ||||
| 419 | K | 31.3 | Very low | 33.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | -107.5 | 104.1 | -161 | 174.7 | -177.3 | 175.7 | 179.3 | 0 | 110 | ||||
| 420 | D | 30.9 | Very low | 34 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -127.7 | 104.4 | 164.8 | -112.6 | -20.4 | 0 | 0 | 0 | 110.1 | ||||
| 421 | S | 31.5 | Very low | 34.9 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -90.1 | 137.3 | 161.6 | 60 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 422 | G | 30.1 | Very low | 35.6 | Very low | 63 Ų | 63 | 144.1 Ų | 144.1 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 148.3 | 107.4 | 5.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 423 | Y | 30.5 | Very low | 36.4 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | -131 | 101.5 | 165 | -104.7 | -90.3 | 0 | 0 | 0 | 108.3 | ||||
| 424 | K | 35.9 | Very low | 37.5 | Very low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -101.5 | 107.4 | 173.6 | -75.5 | -74.7 | -173.2 | 179.2 | 0 | 108.7 | ||||
| 425 | V | 33.8 | Very low | 38.7 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -96.4 | 104.7 | 158.6 | 175.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 426 | S | 39.4 | Very low | 39.9 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | -101.3 | 102.9 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 427 | G | 35.6 | Very low | 41 | Very low | 33 Ų | 33 | 137.9 Ų | 137.9 | 34% | 0.34 | 72% | 0.72 | S | S | . | * | trans | -108.3 | 142.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E429 | G427-E429 PolarHBondContact O-N 2.88Å; G427-E429 VanDerWaalsContact O-N 3.16Å | ||
| 428 | P | 44.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -12.9 | -173.6 | 26.9 | -34.8 | 0 | 0 | 0 | 114.7 | N430 | P428-N430 VanDerWaalsContact C-N 3.3Å; P428-N430 PolarHBondContact O-N 2.88Å |
| 429 | E | 45.1 | Very low | 43.7 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -23 | -172.3 | -61.1 | 177.5 | 168.9 | 0 | 0 | 114.2 | G427 L431 | G427-E429 PolarHBondContact O-N 2.88Å; G427-E429 VanDerWaalsContact O-N 3.16Å; E429-L431 PolarHBondContact O-N 3.43Å |
| 430 | N | 45.8 | Very low | 45.2 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 66% | 0.658 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78.7 | -10.3 | -174.9 | -84.4 | -68.6 | 0 | 0 | 0 | 115.3 | P428 | P428-N430 VanDerWaalsContact C-N 3.3Å; P428-N430 PolarHBondContact O-N 2.88Å |
| 431 | L | 49 | Very low | 47.1 | Very low | 136 Ų | 136 | 120 Ų | 120 | 71% | 0.712 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.1 | -40 | 179.6 | -72.2 | 171.7 | 0 | 0 | 0 | 112.5 | E429 K434 Q435 | E429-L431 PolarHBondContact O-N 3.43Å; L431-K434 PolarHBondContact O-N 3.22Å; L431-Q435 PolarHBondContact O-N 3.27Å; L431-Q435 VanDerWaalsContact O-N 3.16Å |
| 432 | Y | 47.3 | Very low | 48.7 | Very low | 208 Ų | 208 | 117.5 Ų | 117.5 | 82% | 0.816 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.5 | -43.5 | 179.2 | -88 | -89.7 | 0 | 0 | 0 | 112.5 | K434 Q435 G436 | Y432-K434 VanDerWaalsContact C-N 3.31Å; Y432-K434 PolarHBondContact O-N 3.49Å; Y432-Q435 PolarHBondContact O-N 3.15Å; Y432-G436 PolarHBondContact O-N 3.02Å; Y432-G436 VanDerWaalsContact O-N 3.1Å |
| 433 | L | 49.5 | Very low | 50.6 | Low | 123 Ų | 123 | 120.3 Ų | 120.3 | 64% | 0.644 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 178.2 | -128.7 | 76 | 0 | 0 | 0 | 111.8 | G436 I437 | L433-G436 PolarHBondContact O-N 3.28Å; L433-I437 WeakPolarHBondContact O-CD1 3.33Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.33Å; L433-I437 PolarHBondContact O-N 2.9Å |
| 434 | K | 53.1 | Low | 52.5 | Low | 166 Ų | 166 | 113 Ų | 113 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.9 | -34.8 | -176.2 | -156.1 | 174.5 | -174.3 | -177.3 | 0 | 112.7 | L431 Y432 A438 | L431-K434 PolarHBondContact O-N 3.22Å; Y432-K434 VanDerWaalsContact C-N 3.31Å; Y432-K434 PolarHBondContact O-N 3.49Å; K434-A438 PolarHBondContact O-N 2.71Å |
| 435 | Q | 54.3 | Low | 54.2 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.9 | -41.7 | 172.9 | -168.8 | 65.3 | 47.9 | 0 | 0 | 111.6 | L431 Y432 I437 A438 N439 | L431-Q435 PolarHBondContact O-N 3.27Å; L431-Q435 VanDerWaalsContact O-N 3.16Å; Y432-Q435 PolarHBondContact O-N 3.15Å; Q435-I437 PolarHBondContact O-N 3.27Å; Q435-A438 PolarHBondContact O-N 2.8Å; Q435-N439 PolarHBondContact NE2-OD1 3.38Å; Q435-N439 VanDerWaalsContact NE2-OD1 3.08Å; Q435-N439 PolarHBondContact O-N 3.37Å; Q435-N439 VanDerWaalsContact O-N 3.08Å; Q435-N439 PolarHBondContact O-OD1 3.34Å |
| 436 | G | 54.4 | Low | 56 | Low | 33 Ų | 33 | 103.5 Ų | 103.5 | 34% | 0.34 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.7 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y432 L433 A438 N439 L440 | Y432-G436 PolarHBondContact O-N 3.02Å; Y432-G436 VanDerWaalsContact O-N 3.1Å; L433-G436 PolarHBondContact O-N 3.28Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.4Å; G436-N439 PolarHBondContact O-N 2.99Å; G436-L440 WeakPolarHBondContact O-CG 3.38Å; G436-L440 PolarHBondContact O-N 3.2Å |
| 437 | I | 57.3 | Low | 57.5 | Low | 113 Ų | 113 | 102.5 Ų | 102.5 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -38.6 | 179.3 | -65 | 161.8 | 0 | 0 | 0 | 111.8 | L433 Q435 S441 | L433-I437 WeakPolarHBondContact O-CD1 3.33Å; L433-I437 VanDerWaalsContact O-CG1 3.3Å; L433-I437 WeakPolarHBondContact O-CG1 3.33Å; L433-I437 PolarHBondContact O-N 2.9Å; Q435-I437 PolarHBondContact O-N 3.27Å; I437-S441 PolarHBondContact O-N 3.22Å |
| 438 | A | 56.8 | Low | 59.1 | Low | 55 Ų | 55 | 108 Ų | 108 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.1 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K434 Q435 G436 S441 A442 | K434-A438 PolarHBondContact O-N 2.71Å; Q435-A438 PolarHBondContact O-N 2.8Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.4Å; A438-S441 PolarHBondContact O-N 2.93Å; A438-A442 PolarHBondContact O-N 2.98Å |
| 439 | N | 61.7 | Low | 60.3 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 42% | 0.417 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -43.9 | 178.5 | -69.2 | 8.1 | 0 | 0 | 0 | 111.6 | Q435 G436 S441 A442 E443 | Q435-N439 PolarHBondContact NE2-OD1 3.38Å; Q435-N439 VanDerWaalsContact NE2-OD1 3.08Å; Q435-N439 PolarHBondContact O-N 3.37Å; Q435-N439 VanDerWaalsContact O-N 3.08Å; Q435-N439 PolarHBondContact O-OD1 3.34Å; G436-N439 PolarHBondContact O-N 2.99Å; N439-S441 VanDerWaalsContact C-N 3.27Å; N439-S441 PolarHBondContact O-N 2.95Å; N439-A442 PolarHBondContact O-N 3.27Å; N439-A442 VanDerWaalsContact O-N 3.08Å; N439-E443 PolarHBondContact O-N 2.88Å |
| 440 | L | 63 | Low | 61.5 | Low | 106 Ų | 106 | 107.4 Ų | 107.4 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58 | -38 | 175.3 | -72.1 | 168.8 | 0 | 0 | 0 | 112.3 | G436 E443 V444 | G436-L440 WeakPolarHBondContact O-CG 3.38Å; G436-L440 PolarHBondContact O-N 3.2Å; L440-E443 PolarHBondContact O-N 3.42Å; L440-V444 WeakPolarHBondContact O-CB 3.49Å; L440-V444 VanDerWaalsContact O-CG2 3.28Å; L440-V444 WeakPolarHBondContact O-CG2 3.43Å; L440-V444 PolarHBondContact O-N 2.95Å |
| 441 | S | 70.1 | Confident | 62.5 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 53% | 0.531 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -40.8 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | I437 A438 N439 V445 | I437-S441 PolarHBondContact O-N 3.22Å; A438-S441 PolarHBondContact O-N 2.93Å; N439-S441 VanDerWaalsContact C-N 3.27Å; N439-S441 PolarHBondContact O-N 2.95Å; S441-V445 WeakPolarHBondContact O-CB 3.43Å; S441-V445 VanDerWaalsContact O-CG2 3.31Å; S441-V445 WeakPolarHBondContact O-CG2 3.14Å; S441-V445 PolarHBondContact O-N 2.91Å |
| 442 | A | 66.5 | Low | 63.3 | Low | 57 Ų | 57 | 104.9 Ų | 104.9 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.5 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A438 N439 S446 | A438-A442 PolarHBondContact O-N 2.98Å; N439-A442 PolarHBondContact O-N 3.27Å; N439-A442 VanDerWaalsContact O-N 3.08Å; A442-S446 WeakPolarHBondContact O-CB 3.49Å; A442-S446 PolarHBondContact O-N 2.74Å; A442-S446 PolarHBondContact O-OG 2.9Å |
| 443 | E | 68.7 | Low | 63.9 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.9 | -45.4 | 174.7 | -73.8 | 172.9 | -175.3 | 0 | 0 | 111.7 | N439 L440 V445 S446 L447 | N439-E443 PolarHBondContact O-N 2.88Å; L440-E443 PolarHBondContact O-N 3.42Å; E443-V445 PolarHBondContact O-N 2.98Å; E443-S446 PolarHBondContact O-N 2.83Å; E443-S446 VanDerWaalsContact O-N 3.16Å; E443-L447 WeakPolarHBondContact O-CB 3.49Å; E443-L447 PolarHBondContact O-N 3.17Å |
| 444 | V | 71.1 | Confident | 63.9 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 177.2 | 170 | 0 | 0 | 0 | 0 | 112 | L440 S446 K448 | L440-V444 WeakPolarHBondContact O-CB 3.49Å; L440-V444 VanDerWaalsContact O-CG2 3.28Å; L440-V444 WeakPolarHBondContact O-CG2 3.43Å; L440-V444 PolarHBondContact O-N 2.95Å; V444-S446 VanDerWaalsContact C-N 3.35Å; V444-K448 WeakPolarHBondContact O-CB 3.32Å; V444-K448 WeakPolarHBondContact O-CG 3.24Å; V444-K448 PolarHBondContact O-N 3.14Å |
| 445 | V | 70.9 | Confident | 63.9 | Low | 77 Ų | 77 | 97.8 Ų | 97.8 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 173.8 | 169 | 0 | 0 | 0 | 0 | 111.5 | S441 E443 R449 | S441-V445 WeakPolarHBondContact O-CB 3.43Å; S441-V445 VanDerWaalsContact O-CG2 3.31Å; S441-V445 WeakPolarHBondContact O-CG2 3.14Å; S441-V445 PolarHBondContact O-N 2.91Å; E443-V445 PolarHBondContact O-N 2.98Å; V445-R449 WeakPolarHBondContact O-CB 3.42Å; V445-R449 PolarHBondContact O-N 3.33Å; V445-R449 VanDerWaalsContact O-N 3.09Å |
| 446 | S | 71.3 | Confident | 63.8 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 48% | 0.483 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.5 | -41.2 | 176.2 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | A442 E443 V444 R449 L450 | A442-S446 WeakPolarHBondContact O-CB 3.49Å; A442-S446 PolarHBondContact O-N 2.74Å; A442-S446 PolarHBondContact O-OG 2.9Å; E443-S446 PolarHBondContact O-N 2.83Å; E443-S446 VanDerWaalsContact O-N 3.16Å; V444-S446 VanDerWaalsContact C-N 3.35Å; S446-R449 WeakPolarHBondContact O-CB 3.41Å; S446-R449 PolarHBondContact O-N 2.59Å; S446-L450 WeakPolarHBondContact O-CB 3.43Å; S446-L450 PolarHBondContact O-N 3.32Å |
| 447 | L | 71.4 | Confident | 63.3 | Low | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | 175.8 | -175.5 | 62.1 | 0 | 0 | 0 | 111.9 | E443 R449 L450 I451 | E443-L447 WeakPolarHBondContact O-CB 3.49Å; E443-L447 PolarHBondContact O-N 3.17Å; L447-R449 VanDerWaalsContact C-N 3.3Å; L447-R449 PolarHBondContact O-N 3.19Å; L447-L450 PolarHBondContact O-N 3.1Å; L447-I451 HydrophobicContact CD1-CD1 4.34Å; L447-I451 HydrophobicContact CG-CD1 4.08Å; L447-I451 WeakPolarHBondContact O-CG1 3.05Å; L447-I451 PolarHBondContact O-N 3.15Å |
| 448 | K | 70.1 | Confident | 62.7 | Low | 149 Ų | 149 | 102.6 Ų | 102.6 | 65% | 0.648 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.8 | -40 | 173 | -80.3 | -173.2 | 173.7 | -172.4 | 0 | 112.4 | V444 A452 | V444-K448 WeakPolarHBondContact O-CB 3.32Å; V444-K448 WeakPolarHBondContact O-CG 3.24Å; V444-K448 PolarHBondContact O-N 3.14Å; K448-A452 WeakPolarHBondContact O-CB 3.4Å; K448-A452 PolarHBondContact O-N 3.42Å; K448-A452 VanDerWaalsContact O-N 3.09Å |
| 449 | R | 68.4 | Low | 62.2 | Low | 167 Ų | 167 | 105.4 Ų | 105.4 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.2 | -45.9 | 175.3 | -164.5 | -169.7 | -48.4 | -119.7 | 0.8 | 111.3 | V445 S446 L447 I451 A452 T453 | V445-R449 WeakPolarHBondContact O-CB 3.42Å; V445-R449 PolarHBondContact O-N 3.33Å; V445-R449 VanDerWaalsContact O-N 3.09Å; S446-R449 WeakPolarHBondContact O-CB 3.41Å; S446-R449 PolarHBondContact O-N 2.59Å; L447-R449 VanDerWaalsContact C-N 3.3Å; L447-R449 PolarHBondContact O-N 3.19Å; R449-I451 PolarHBondContact O-N 3.11Å; R449-A452 PolarHBondContact O-N 2.73Å; R449-T453 WeakPolarHBondContact O-CG2 3.43Å; R449-T453 PolarHBondContact O-N 3.27Å; R449-T453 VanDerWaalsContact O-N 3.07Å; R449-T453 PolarHBondContact O-OG1 3.24Å; R449-T453 VanDerWaalsContact O-OG1 3.07Å |
| 450 | L | 70.1 | Confident | 61.5 | Low | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.6 | -44.1 | 179.6 | -174.7 | 65 | 0 | 0 | 0 | 112 | S446 L447 T453 | S446-L450 WeakPolarHBondContact O-CB 3.43Å; S446-L450 PolarHBondContact O-N 3.32Å; L447-L450 PolarHBondContact O-N 3.1Å; L450-T453 WeakPolarHBondContact CA-OG1 3.11Å; L450-T453 PolarHBondContact O-N 3Å; L450-T453 PolarHBondContact O-OG1 2.78Å |
| 451 | I | 67.6 | Low | 60.7 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.1 | -43.3 | 176.3 | -66.4 | 164.4 | 0 | 0 | 0 | 110.9 | L447 R449 T453 Q454 | L447-I451 HydrophobicContact CD1-CD1 4.34Å; L447-I451 HydrophobicContact CG-CD1 4.08Å; L447-I451 WeakPolarHBondContact O-CG1 3.05Å; L447-I451 PolarHBondContact O-N 3.15Å; R449-I451 PolarHBondContact O-N 3.11Å; I451-T453 PolarHBondContact O-N 2.7Å; I451-Q454 PolarHBondContact O-N 2.76Å |
| 452 | A | 64.9 | Low | 59.3 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.5 | -19.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K448 R449 | K448-A452 WeakPolarHBondContact O-CB 3.4Å; K448-A452 PolarHBondContact O-N 3.42Å; K448-A452 VanDerWaalsContact O-N 3.09Å; R449-A452 PolarHBondContact O-N 2.73Å |
| 453 | T | 60 | Low | 58.9 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 58% | 0.583 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -0.4 | 179.4 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | R449 L450 I451 P455 | R449-T453 WeakPolarHBondContact O-CG2 3.43Å; R449-T453 PolarHBondContact O-N 3.27Å; R449-T453 VanDerWaalsContact O-N 3.07Å; R449-T453 PolarHBondContact O-OG1 3.24Å; R449-T453 VanDerWaalsContact O-OG1 3.07Å; L450-T453 WeakPolarHBondContact CA-OG1 3.11Å; L450-T453 PolarHBondContact O-N 3Å; L450-T453 PolarHBondContact O-OG1 2.78Å; I451-T453 PolarHBondContact O-N 2.7Å; T453-P455 VanDerWaalsContact O-CD 3.27Å; T453-P455 WeakPolarHBondContact O-CD 3.47Å |
| 454 | Q | 50.3 | Low | 58.4 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | trans | -89.6 | 111.8 | 173.4 | -69 | -149.8 | 21.3 | 0 | 0 | 111.2 | I451 I456 | I451-Q454 PolarHBondContact O-N 2.76Å; Q454-I456 PolarHBondContact O-N 3.33Å | ||
| 455 | P | 52.5 | Low | 57.7 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -69.7 | 123.8 | 168.5 | 29.4 | -32.7 | 0 | 0 | 0 | 109.4 | T453 S457 | T453-P455 VanDerWaalsContact O-CD 3.27Å; T453-P455 WeakPolarHBondContact O-CD 3.47Å; P455-S457 PolarHBondContact O-N 2.96Å | ||
| 456 | I | 51.9 | Low | 56.9 | Low | 162 Ų | 162 | 119.5 Ų | 119.5 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | -73 | 98.5 | 173.1 | -59.2 | 170.2 | 0 | 0 | 0 | 107.5 | Q454 A458 | Q454-I456 PolarHBondContact O-N 3.33Å; I456-A458 PolarHBondContact O-N 3.19Å | ||
| 457 | S | 44.9 | Very low | 56 | Low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -69.4 | 96.3 | 168.6 | -71.6 | 0 | 0 | 0 | 0 | 109.6 | P455 S459 | P455-S457 PolarHBondContact O-N 2.96Å; S457-S459 PolarHBondContact O-N 3.03Å | ||
| 458 | A | 43.7 | Very low | 55 | Low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -69.8 | 112.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | I456 D460 | I456-A458 PolarHBondContact O-N 3.19Å; A458-D460 PolarHBondContact O-N 3.31Å | ||
| 459 | S | 46.9 | Very low | 53.9 | Low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -73.5 | 109.8 | 167.3 | -68.8 | 0 | 0 | 0 | 0 | 108.9 | S457 | S457-S459 PolarHBondContact O-N 3.03Š| ||
| 460 | D | 47.3 | Very low | 52.8 | Low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -60 | 151.1 | 168.5 | -161.8 | 3.1 | 0 | 0 | 0 | 110.6 | A458 | A458-D460 PolarHBondContact O-N 3.31Š| ||
| 461 | S | 46.2 | Very low | 51.4 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -153.2 | 89.1 | 178.2 | -71.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 462 | G | 40.3 | Very low | 49.9 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 100% | 1.505 | 82% | 0.818 | S | S | * | * | trans | -131.9 | 0 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 462 of 462 residues in 393.5 ms
(Link to these results)