| 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 | 40.3 | Very low | 48.4 | Very low | 249 Ų | 249 | 157.5 Ų | 157.5 | 100% | 1.227 | 83% | 0.834 | S | S | * | * | 0 | 111.7 | 0 | -52.3 | -65.1 | -97.4 | 0 | 0 | 107.1 | |||||
| 2 | G | 47.8 | Very low | 48.2 | Very low | 78 Ų | 78 | 156.2 Ų | 156.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | cis | -167.4 | 157.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | E | 47.8 | Very low | 47.8 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -89.1 | 162.2 | -170.5 | -43.3 | -174.3 | 142.4 | 0 | 0 | 115 | ||||
| 4 | R | 50.1 | Low | 48 | Very low | 219 Ų | 219 | 152.8 Ų | 152.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | 79.7 | 115 | 129.2 | -163.6 | -180 | -153.7 | 141.7 | -5.1 | 121.8 | |||||
| 5 | A | 48.7 | Very low | 48.4 | Very low | 97 Ų | 97 | 156.3 Ų | 156.3 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | -179.8 | 125.7 | 127.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 6 | R | 44.9 | Very low | 48.7 | Very low | 231 Ų | 231 | 151.9 Ų | 151.9 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | cis | 99.8 | 83.9 | 49.1 | -167.3 | -178.7 | -171.4 | -176.5 | 3 | 113.3 | ||||
| 7 | S | 55.1 | Low | 48.5 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | 74.5 | 160.1 | 134.1 | -55.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 8 | P | 55.9 | Low | 48.7 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -113.4 | 171.1 | -162 | 42.5 | -32.6 | 0 | 0 | 0 | 115.2 | ||||
| 9 | D | 44.3 | Very low | 49.1 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -144.9 | 105.3 | 168.5 | -135.5 | 0.5 | 0 | 0 | 0 | 106.8 | ||||
| 10 | I | 48.2 | Very low | 49.7 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 68% | 0.677 | 82% | 0.823 | S | S | * | * | 59.2 | 105.6 | 84.1 | -54.4 | 177 | 0 | 0 | 0 | 113.8 | |||||
| 11 | E | 49.6 | Very low | 49.8 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -141.4 | 147.6 | 154.6 | -109.6 | -62.1 | 161.8 | 0 | 0 | 108.8 | ||||
| 12 | Q | 46.2 | Very low | 50.5 | Low | 142 Ų | 142 | 143.3 Ų | 143.3 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | -103.1 | 106.7 | -148.5 | -64.7 | 178.6 | 10.7 | 0 | 0 | 115.2 | K14 | Q12-K14 PolarHBondContact O-N 3.26Š| ||
| 13 | G | 42.1 | Very low | 50.7 | Low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -84.7 | 76.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K15 | G13-K15 PolarHBondContact O-N 2.73Å; G13-K15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | K | 51.5 | Low | 51 | Low | 186 Ų | 186 | 150.7 Ų | 150.7 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | trans | -60 | 110.3 | 174.8 | -73.7 | 179.6 | -179.9 | 172.6 | 0 | 111.9 | Q12 | Q12-K14 PolarHBondContact O-N 3.26Š| ||
| 15 | K | 53.1 | Low | 51.5 | Low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -136.7 | 113.5 | 154.9 | -72.5 | -163.2 | 176 | -175.8 | 0 | 110.8 | G13 G17 | G13-K15 PolarHBondContact O-N 2.73Å; G13-K15 VanDerWaalsContact O-N 3.09Å; K15-G17 PolarHBondContact O-N 3.22Å | ||
| 16 | G | 53.4 | Low | 51.6 | Low | 87 Ų | 87 | 144.2 Ų | 144.2 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -76.5 | 113.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 17 | G | 45.2 | Very low | 52.2 | Low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -101.7 | 102.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | K15 | K15-G17 PolarHBondContact O-N 3.22Š| ||
| 18 | K | 52.6 | Low | 51.9 | Low | 208 Ų | 208 | 144.4 Ų | 144.4 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -65.8 | 139.2 | 175 | -66.2 | 175.9 | 179.4 | 177.8 | 0 | 109.1 | P20 | K18-P20 VanDerWaalsContact O-CD 3.32Å; K18-P20 WeakPolarHBondContact O-CD 3.49Å | ||
| 19 | H | 55.7 | Low | 51.5 | Low | 165 Ų | 165 | 142.4 Ų | 142.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -99.2 | 112.5 | 177.6 | -179.7 | -76.2 | 0 | 0 | 0 | 110.5 | Y21 | H19-Y21 PolarHBondContact CE1-N 3.28Å; H19-Y21 VanDerWaalsContact CE1-N 3.31Å; H19-Y21 PolarHBondContact ND1-N 2.98Å | ||
| 20 | P | 61.6 | Low | 51.9 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -100.9 | 85.7 | 161 | 34.2 | -24.1 | 0 | 0 | 0 | 108.2 | K18 | K18-P20 VanDerWaalsContact O-CD 3.32Å; K18-P20 WeakPolarHBondContact O-CD 3.49Å | ||
| 21 | Y | 52 | Low | 52.1 | Low | 190 Ų | 190 | 139.7 Ų | 139.7 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | 19.5 | 111.8 | 101.7 | -161.8 | -97.9 | 0 | 0 | 0 | 115.3 | H19 | H19-Y21 PolarHBondContact CE1-N 3.28Å; H19-Y21 VanDerWaalsContact CE1-N 3.31Å; H19-Y21 PolarHBondContact ND1-N 2.98Å | |||
| 22 | S | 54.2 | Low | 52.4 | Low | 70 Ų | 70 | 136.9 Ų | 136.9 | 49% | 0.49 | 78% | 0.777 | S | S | . | * | trans | 48.4 | 111 | 153.6 | -162.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 23 | H | 53.4 | Low | 52.1 | Low | 188 Ų | 188 | 139 Ų | 139 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | -140.8 | 94.3 | 128.8 | -82 | -65.1 | 0 | 0 | 0 | 109.5 | S25 | H23-S25 PolarHBondContact O-N 2.99Š| |||
| 24 | Y | 52.4 | Low | 52.5 | Low | 210 Ų | 210 | 140.5 Ų | 140.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -77.1 | 98.3 | 164.9 | 179.1 | -95.1 | 0 | 0 | 0 | 107.8 | S26 | Y24-S26 PolarHBondContact O-N 3.27Š| ||
| 25 | S | 61.2 | Low | 52.4 | Low | 99 Ų | 99 | 137.5 Ų | 137.5 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 111.1 | 178 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | H23 D27 | H23-S25 PolarHBondContact O-N 2.99Å; S25-D27 PolarHBondContact O-N 3.01Å | ||
| 26 | S | 50.9 | Low | 51.8 | Low | 81 Ų | 81 | 131.3 Ų | 131.3 | 57% | 0.566 | 78% | 0.781 | S | S | * | * | trans | -92.5 | 89.6 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | Y24 F28 | Y24-S26 PolarHBondContact O-N 3.27Å; S26-F28 PolarHBondContact O-N 3.41Å | ||
| 27 | D | 57.2 | Low | 51.6 | Low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 61.4 | 176.7 | -66.4 | -21.2 | 0 | 0 | 0 | 111.7 | S25 G29 | S25-D27 PolarHBondContact O-N 3.01Å; D27-G29 VanDerWaalsContact C-N 3.32Å; D27-G29 PolarHBondContact O-N 3.07Å; D27-G29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | F | 49 | Very low | 51.5 | Low | 189 Ų | 189 | 134.8 Ų | 134.8 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -79.2 | 83.5 | 164 | -84.7 | -80 | 0 | 0 | 0 | 109.3 | S26 S30 | S26-F28 PolarHBondContact O-N 3.41Å; F28-S30 PolarHBondContact O-N 3.4Å | ||
| 29 | G | 48.7 | Very low | 51.3 | Low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -66.7 | 98.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D27 | D27-G29 VanDerWaalsContact C-N 3.32Å; D27-G29 PolarHBondContact O-N 3.07Å; D27-G29 VanDerWaalsContact O-N 3.12Å | ||
| 30 | S | 50.9 | Low | 51.1 | Low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 134.1 | 176.6 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | F28 | F28-S30 PolarHBondContact O-N 3.4Š|
| 31 | S | 52.7 | Low | 49.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 133.3 | 171 | -50 | 0 | 0 | 0 | 0 | 112.2 | ||
| 32 | P | 56.3 | Low | 49.4 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 132.4 | 160.8 | -5.2 | 24 | 0 | 0 | 0 | 110.6 | ||
| 33 | Q | 41.1 | Very low | 48.4 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 145.1 | 174.9 | -68.1 | 173 | -32.4 | 0 | 0 | 112.2 | ||
| 34 | S | 49.8 | Very low | 48 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 29.9 | 125.9 | 136.5 | -174.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 35 | S | 49.8 | Very low | 47.9 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 166.4 | 144.5 | 105 | 48.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 36 | G | 40 | Very low | 46.6 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 154.9 | 134.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | P | 49.2 | Very low | 45.8 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -124.7 | 165.1 | -148.9 | 40.7 | -27.3 | 0 | 0 | 0 | 118.8 | ||||
| 38 | S | 43.6 | Very low | 45.2 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 71 | 150.3 | 160.2 | 75.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 39 | S | 47.8 | Very low | 44.6 | Very low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | cis | -153.9 | -173.9 | 18.9 | -124.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 40 | P | 51 | Low | 44.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -117.5 | -151 | -134.8 | 45.1 | -32.4 | 0 | 0 | 0 | 116.1 | ||||
| 41 | V | 37.4 | Very low | 43.7 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 91.5 | 115.9 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 42 | N | 40.7 | Very low | 43.2 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -143.8 | 156.6 | 26.9 | -97.5 | -41.9 | 0 | 0 | 0 | 114.7 | ||||
| 43 | T | 34.2 | Very low | 42.9 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -94.9 | 167.9 | 160.5 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 44 | T | 43.6 | Very low | 43.2 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | cis | -166.3 | -176.5 | -2.8 | 13 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 45 | P | 49.8 | Very low | 42.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -128 | 178.3 | -12.9 | 35.1 | -15.8 | 0 | 0 | 0 | 114.8 | ||||
| 46 | C | 35 | Very low | 42.4 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -76.2 | 149.3 | 170.6 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 47 | A | 34 | Very low | 42.4 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -132.3 | 113.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 48 | S | 44.2 | Very low | 42 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -87 | 144.2 | 174.5 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 49 | T | 37.4 | Very low | 42.1 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -169.9 | 127.9 | 138.6 | 22 | 0 | 0 | 0 | 0 | 112 | ||||
| 50 | R | 39 | Very low | 41.7 | Very low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | 47.8 | 116.8 | 145.8 | -71.3 | -173.2 | 163.7 | -169.8 | -5.8 | 121.3 | ||||
| 51 | E | 41.2 | Very low | 41.3 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 29.5 | 116 | 119.6 | -55.6 | -172.3 | 128 | 0 | 0 | 119.4 | |||||
| 52 | K | 42.4 | Very low | 41.8 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | -176.6 | 122.8 | 101.1 | -97.1 | 158.7 | -174.2 | 175.6 | 0 | 111.9 | |||||
| 53 | N | 49.3 | Very low | 41.8 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -67.4 | 146.9 | 160.4 | -78.1 | -86.3 | 0 | 0 | 0 | 109.3 | ||||
| 54 | P | 48.1 | Very low | 42.5 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | -144.8 | 150 | 114 | 32.5 | -16.2 | 0 | 0 | 0 | 116.3 | |||||
| 55 | K | 39.3 | Very low | 42.5 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 66.2 | 92.9 | 150.7 | -66.4 | 169.6 | -178.3 | 179.7 | 0 | 118 | H57 | K55-H57 PolarHBondContact O-N 3.46Š| ||
| 56 | R | 44.1 | Very low | 42.4 | Very low | 243 Ų | 243 | 147.2 Ų | 147.2 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | -62.4 | 116.8 | 151.5 | -54.9 | 178.7 | -154.5 | 159.6 | 5.8 | 108.6 | L58 | R56-L58 PolarHBondContact O-N 3.31Š| ||
| 57 | H | 39 | Very low | 42.6 | Very low | 168 Ų | 168 | 147 Ų | 147 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | -77.3 | 99.7 | 172 | -179 | -87.8 | 0 | 0 | 0 | 109.3 | K55 S59 | K55-H57 PolarHBondContact O-N 3.46Å; H57-S59 PolarHBondContact O-N 3.42Å | ||
| 58 | L | 41.4 | Very low | 43.2 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 107 | 169.7 | -67.3 | 173.1 | 0 | 0 | 0 | 108.4 | R56 D60 | R56-L58 PolarHBondContact O-N 3.31Å; L58-D60 PolarHBondContact O-N 3.5Å; L58-D60 VanDerWaalsContact O-N 3.11Å | ||
| 59 | S | 44.4 | Very low | 43.3 | Very low | 85 Ų | 85 | 154.6 Ų | 154.6 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -72 | 100.9 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | H57 N61 | H57-S59 PolarHBondContact O-N 3.42Å; S59-N61 PolarHBondContact O-N 3.48Å; S59-N61 VanDerWaalsContact O-N 3.16Å; S59-N61 PolarHBondContact OG-OD1 3.26Å | ||
| 60 | D | 40.3 | Very low | 43.8 | Very low | 116 Ų | 116 | 158 Ų | 158 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | trans | -75.6 | 94.7 | 175.2 | -175 | 24.6 | 0 | 0 | 0 | 109.6 | L58 Q62 | L58-D60 PolarHBondContact O-N 3.5Å; L58-D60 VanDerWaalsContact O-N 3.11Å; D60-Q62 PolarHBondContact O-N 2.97Å; D60-Q62 VanDerWaalsContact OD2-CG 3.31Å; D60-Q62 WeakPolarHBondContact OD2-CG 3.46Å; D60-Q62 PolarHBondContact OD2-NE2 3.35Å | ||
| 61 | N | 43.4 | Very low | 44.2 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 73.7 | 178.2 | -75.5 | 5.1 | 0 | 0 | 0 | 110.5 | S59 V63 | S59-N61 PolarHBondContact O-N 3.48Å; S59-N61 VanDerWaalsContact O-N 3.16Å; S59-N61 PolarHBondContact OG-OD1 3.26Å; N61-V63 PolarHBondContact O-N 3.33Å | ||
| 62 | Q | 46.8 | Very low | 44.3 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 124 | 174.1 | -63.9 | -171.9 | 15.8 | 0 | 0 | 110.8 | D60 H64 | D60-Q62 PolarHBondContact O-N 2.97Å; D60-Q62 VanDerWaalsContact OD2-CG 3.31Å; D60-Q62 WeakPolarHBondContact OD2-CG 3.46Å; D60-Q62 PolarHBondContact OD2-NE2 3.35Å; Q62-H64 PolarHBondContact O-N 3.05Å; Q62-H64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | V | 41.5 | Very low | 44.9 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 104.2 | 173.8 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | N61 H65 | N61-V63 PolarHBondContact O-N 3.33Å; V63-H65 PolarHBondContact O-N 2.94Å; V63-H65 VanDerWaalsContact O-N 3.13Å | ||
| 64 | H | 48.4 | Very low | 44.7 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -71.1 | 105.1 | 174.6 | -74 | -36.6 | 0 | 0 | 0 | 111.6 | Q62 P66 | Q62-H64 PolarHBondContact O-N 3.05Å; Q62-H64 VanDerWaalsContact O-N 3.12Å; H64-P66 WeakPolarHBondContact O-CD 3.45Å | ||
| 65 | H | 43.8 | Very low | 44.4 | Very low | 160 Ų | 160 | 150 Ų | 150 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -73.6 | 120 | 158.6 | -62 | -71.6 | 0 | 0 | 0 | 109.4 | V63 T67 | V63-H65 PolarHBondContact O-N 2.94Å; V63-H65 VanDerWaalsContact O-N 3.13Å; H65-T67 PolarHBondContact O-N 3.25Å | ||
| 66 | P | 46.9 | Very low | 45.2 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -72.6 | 112.1 | 175.8 | 28.3 | -32.4 | 0 | 0 | 0 | 110.1 | H64 | H64-P66 WeakPolarHBondContact O-CD 3.45Š| ||
| 67 | T | 39.4 | Very low | 45.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -79 | 125.4 | 173.9 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | H65 R69 | H65-T67 PolarHBondContact O-N 3.25Å; T67-R69 PolarHBondContact O-N 3.45Å | ||
| 68 | V | 46.2 | Very low | 46 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 101.3 | -179.5 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 69 | R | 47.1 | Very low | 46.6 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -88.5 | 117.2 | 170.3 | -67 | -171 | -178.1 | -173.9 | 1 | 110.3 | T67 | T67-R69 PolarHBondContact O-N 3.45Š| ||
| 70 | K | 47.3 | Very low | 47.1 | Very low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 125.4 | 173.2 | -66.5 | 178.1 | 177.6 | 177.8 | 0 | 110.1 | ||||
| 71 | V | 47.1 | Very low | 47.6 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -138.4 | 128.3 | 162 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 72 | S | 44.8 | Very low | 48.3 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -173.5 | 157.7 | 173.4 | -78.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 73 | P | 54.6 | Low | 48.8 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | cis | -131 | 166.9 | -13.2 | 37.8 | -22.5 | 0 | 0 | 0 | 113.7 | ||||
| 74 | K | 45.1 | Very low | 49.4 | Very low | 209 Ų | 209 | 151.5 Ų | 151.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 158.9 | 112.1 | 130.5 | -90.3 | 177.2 | 179.8 | -176.9 | 0 | 112.2 | ||||
| 75 | A | 41.5 | Very low | 49.7 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | 176.2 | 133.2 | 134.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 76 | V | 56.3 | Low | 50.2 | Low | 143 Ų | 143 | 148.9 Ų | 148.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -150.1 | 157.7 | 168.2 | -114.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 77 | P | 54.9 | Low | 50.6 | Low | 120 Ų | 120 | 153.6 Ų | 153.6 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | cis | -140.7 | -168.1 | 23.3 | 41.5 | -21.4 | 0 | 0 | 0 | 116.3 | ||||
| 78 | S | 44.1 | Very low | 51.8 | Low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | 85.2 | 103.4 | 155.8 | -160.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 79 | K | 53.9 | Low | 52.5 | Low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | -156.6 | 148.2 | 107.3 | -100.3 | 157 | -173.5 | 178.4 | 0 | 110.3 | G81 | K79-G81 PolarHBondContact O-N 3.49Š| |||
| 80 | K | 55.1 | Low | 53.2 | Low | 216 Ų | 216 | 147.9 Ų | 147.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 106.1 | -173.6 | -67.1 | 170.9 | 179 | 174.9 | 0 | 110.2 | ||||
| 81 | G | 51.5 | Low | 53.6 | Low | 64 Ų | 64 | 144.4 Ų | 144.4 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 123.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K79 R83 | K79-G81 PolarHBondContact O-N 3.49Å; G81-R83 PolarHBondContact O-N 2.91Å | ||
| 82 | I | 58.3 | Low | 53.8 | Low | 162 Ų | 162 | 145.7 Ų | 145.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -69 | 97.7 | 177.8 | -62.9 | 167.9 | 0 | 0 | 0 | 108.2 | V84 | I82-V84 PolarHBondContact O-N 2.95Å; I82-V84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | R | 57.5 | Low | 54.4 | Low | 236 Ų | 236 | 149.3 Ų | 149.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -75.1 | 97.3 | 166.7 | -74.4 | -165.2 | -68.2 | -107.3 | 2.4 | 108.3 | G81 G85 | G81-R83 PolarHBondContact O-N 2.91Å; R83-G85 PolarHBondContact O-N 2.94Å | ||
| 84 | V | 53.2 | Low | 54.6 | Low | 130 Ų | 130 | 152 Ų | 152 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -59.5 | 90.6 | 157.6 | -80.6 | 0 | 0 | 0 | 0 | 108 | I82 F86 | I82-V84 PolarHBondContact O-N 2.95Å; I82-V84 VanDerWaalsContact O-N 3.1Å; V84-F86 PolarHBondContact O-N 3.36Å | ||
| 85 | G | 54.7 | Low | 55.4 | Low | 63 Ų | 63 | 147.3 Ų | 147.3 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 103.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109 | R83 R87 | R83-G85 PolarHBondContact O-N 2.94Å; G85-R87 PolarHBondContact O-N 3.37Å | ||
| 86 | F | 54.8 | Low | 56.2 | Low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -59.4 | 86.2 | 141.9 | -95.7 | -92 | 0 | 0 | 0 | 106.6 | V84 S88 | V84-F86 PolarHBondContact O-N 3.36Å; F86-S88 PolarHBondContact O-N 3.02Å | ||
| 87 | R | 56.1 | Low | 56.5 | Low | 221 Ų | 221 | 152.3 Ų | 152.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 82 | 163.7 | 178.5 | -174.6 | -101.8 | -94.7 | 4.9 | 105 | G85 Q89 | G85-R87 PolarHBondContact O-N 3.37Å; R87-Q89 PolarHBondContact O-N 3.47Å | ||
| 88 | S | 62.8 | Low | 57.4 | Low | 98 Ų | 98 | 154 Ų | 154 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -47.1 | 117 | 158.2 | 32.5 | 0 | 0 | 0 | 0 | 105.6 | F86 S90 | F86-S88 PolarHBondContact O-N 3.02Å; S88-S90 PolarHBondContact O-N 2.96Å | ||
| 89 | Q | 61 | Low | 59.2 | Low | 166 Ų | 166 | 155.5 Ų | 155.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 93.7 | 173.2 | -67.9 | -144 | 50.1 | 0 | 0 | 106 | R87 L91 | R87-Q89 PolarHBondContact O-N 3.47Å; Q89-L91 PolarHBondContact O-N 3.01Å | ||
| 90 | S | 61.6 | Low | 60.7 | Low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -62.4 | 89.6 | 162.8 | 59.3 | 0 | 0 | 0 | 0 | 105.4 | S88 N92 | S88-S90 PolarHBondContact O-N 2.96Å; S90-N92 PolarHBondContact O-N 3.39Å | ||
| 91 | L | 56.7 | Low | 62.5 | Low | 133 Ų | 133 | 142.5 Ų | 142.5 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | trans | -60 | 99.7 | 164.7 | -65.7 | -179 | 0 | 0 | 0 | 105 | Q89 R93 | Q89-L91 PolarHBondContact O-N 3.01Å; L91-R93 PolarHBondContact O-N 2.82Å | ||
| 92 | N | 50.7 | Low | 64.6 | Low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | -63.4 | 58.5 | 151.6 | -86.3 | -31.2 | 0 | 0 | 0 | 108 | S90 E94 | S90-N92 PolarHBondContact O-N 3.39Å; N92-E94 PolarHBondContact O-N 2.99Å | ||
| 93 | R | 58.4 | Low | 66.4 | Low | 190 Ų | 190 | 141 Ų | 141 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | trans | -69 | 87.2 | 146.8 | -101.1 | -171.4 | 171.7 | -178.3 | 0.1 | 104.5 | L91 | L91-R93 PolarHBondContact O-N 2.82Š| ||
| 94 | E | 58.4 | Low | 68.3 | Low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -33.5 | 124.3 | 142.8 | -177.8 | 167.8 | -153.8 | 0 | 0 | 107.6 | N92 L96 | N92-E94 PolarHBondContact O-N 2.99Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 3.45Å | ||
| 95 | P | 61.6 | Low | 70.3 | Confident | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | trans | -57 | 99.4 | -170.6 | -27.8 | 35.4 | 0 | 0 | 0 | 109.8 | R97 | P95-R97 PolarHBondContact O-N 3.32Š| ||
| 96 | L | 58.6 | Low | 72.3 | Confident | 102 Ų | 102 | 135.7 Ų | 135.7 | 53% | 0.534 | 66% | 0.659 | S | S | . | * | trans | -60.7 | 109.7 | -170.9 | 179.8 | 56.5 | 0 | 0 | 0 | 106.1 | E94 K98 | E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 3.45Å; L96-K98 HydrophobicContact CD1-CD 4.48Å; L96-K98 HydrophobicContact CD2-CD 3.77Å; L96-K98 HydrophobicContact CD2-CG 4.48Å; L96-K98 HydrophobicContact CG-CD 3.82Å; L96-K98 HydrophobicContact CG-CG 3.97Å; L96-K98 PolarHBondContact O-N 3.02Å | ||
| 97 | R | 62.3 | Low | 74.4 | Confident | 248 Ų | 248 | 129 Ų | 129 | 94% | 0.936 | 64% | 0.635 | S | S | * | * | trans | -68.3 | 54.2 | -170.7 | -64.3 | -76.5 | -154.5 | 129.2 | 7.5 | 111.5 | P95 | P95-R97 PolarHBondContact O-N 3.32Š| ||
| 98 | K | 73.1 | Confident | 76.4 | Confident | 155 Ų | 155 | 123 Ų | 123 | 67% | 0.674 | 62% | 0.619 | S | S | * | * | trans | -106.6 | 125.3 | 175 | -71.9 | 179.3 | -177.4 | -173.9 | 0 | 106.5 | L96 | L96-K98 HydrophobicContact CD1-CD 4.48Å; L96-K98 HydrophobicContact CD2-CD 3.77Å; L96-K98 HydrophobicContact CD2-CG 4.48Å; L96-K98 HydrophobicContact CG-CD 3.82Å; L96-K98 HydrophobicContact CG-CG 3.97Å; L96-K98 PolarHBondContact O-N 3.02Å | ||
| 99 | D | 83.6 | Confident | 78 | Confident | 134 Ų | 134 | 121.2 Ų | 121.2 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 129.1 | 167.8 | -95.8 | -78.1 | 0 | 0 | 0 | 109.8 | K105 | D99-K105 IonicContact OD1-NZ 2.7Å; D99-K105 PolarHBondContact OD1-NZ 3.35Å |
| 100 | P | 84.9 | Confident | 79.8 | Confident | 58 Ų | 58 | 116 Ų | 116 | 38% | 0.377 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 141.8 | 173.9 | 19.4 | -25.6 | 0 | 0 | 0 | 109.4 | T104 K105 | P100-T104 HydrophobicContact CB-CG2 3.86Å; P100-K105 HydrophobicContact CB-CG 4.22Å; P100-K105 HydrophobicContact CG-CD 4.39Å; P100-K105 HydrophobicContact CG-CG 3.84Å; P100-K105 WeakPolarHBondContact O-CD 3.46Å; P100-K105 WeakPolarHBondContact O-CE 3.3Å; P100-K105 WeakPolarHBondContact O-CG 3.42Å |
| 101 | D | 93 | Very high | 81.5 | Confident | 93 Ų | 93 | 119.1 Ų | 119.1 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 154.4 | 178.7 | 169.5 | 57.4 | 0 | 0 | 0 | 111.9 | V103 T104 K105 | D101-V103 PolarHBondContact O-N 2.96Å; D101-V103 VanDerWaalsContact OD2-CB 3.22Å; D101-V103 WeakPolarHBondContact OD2-CB 3.43Å; D101-V103 WeakPolarHBondContact OD2-CG2 3.28Å; D101-V103 PolarHBondContact OD2-N 2.98Å; D101-T104 CarbonylContact O-C 3.55Å; D101-T104 WeakPolarHBondContact O-CA 3.32Å; D101-T104 WeakPolarHBondContact O-CB 3.49Å; D101-T104 PolarHBondContact O-N 2.94Å; D101-K105 PolarHBondContact O-N 3.05Å |
| 102 | I | 95.8 | Very high | 83.5 | Confident | 117 Ų | 117 | 117.5 Ų | 117.5 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -55.8 | -34.9 | -178.5 | -56.2 | 174.6 | 0 | 0 | 0 | 111.6 | R106 | I102-R106 WeakPolarHBondContact O-CB 3.38Å; I102-R106 WeakPolarHBondContact O-CG 3.47Å; I102-R106 PolarHBondContact O-N 3.12Å; I102-R106 VanDerWaalsContact O-N 3.12Å; I102-R106 PolarHBondContact O-NE 3.42Å |
| 103 | V | 96.1 | Very high | 85.8 | Confident | 78 Ų | 78 | 115.4 Ų | 115.4 | 47% | 0.473 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.4 | -43.5 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | D101 K105 R106 V107 | D101-V103 PolarHBondContact O-N 2.96Å; D101-V103 VanDerWaalsContact OD2-CB 3.22Å; D101-V103 WeakPolarHBondContact OD2-CB 3.43Å; D101-V103 WeakPolarHBondContact OD2-CG2 3.28Å; D101-V103 PolarHBondContact OD2-N 2.98Å; V103-K105 PolarHBondContact O-N 3.14Å; V103-R106 PolarHBondContact O-N 3.32Å; V103-V107 HydrophobicContact CG1-CG2 4.36Å; V103-V107 WeakPolarHBondContact O-CG2 3.42Å; V103-V107 PolarHBondContact O-N 3.41Å |
| 104 | T | 96.4 | Very high | 87.7 | Confident | 67 Ų | 67 | 110.3 Ų | 110.3 | 41% | 0.411 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -44 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | P100 D101 R106 V107 L108 | P100-T104 HydrophobicContact CB-CG2 3.86Å; D101-T104 CarbonylContact O-C 3.55Å; D101-T104 WeakPolarHBondContact O-CA 3.32Å; D101-T104 WeakPolarHBondContact O-CB 3.49Å; D101-T104 PolarHBondContact O-N 2.94Å; T104-R106 PolarHBondContact O-N 3.5Å; T104-V107 PolarHBondContact O-N 2.76Å; T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CB 3.42Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.34Å; T104-L108 PolarHBondContact O-N 2.92Å |
| 105 | K | 96.3 | Very high | 89.6 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 40% | 0.404 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 174.1 | -74.6 | 177.5 | 172.8 | 174.2 | 0 | 111.5 | D99 P100 D101 V103 L108 S109 | D99-K105 IonicContact OD1-NZ 2.7Å; D99-K105 PolarHBondContact OD1-NZ 3.35Å; P100-K105 HydrophobicContact CB-CG 4.22Å; P100-K105 HydrophobicContact CG-CD 4.39Å; P100-K105 HydrophobicContact CG-CG 3.84Å; P100-K105 WeakPolarHBondContact O-CD 3.46Å; P100-K105 WeakPolarHBondContact O-CE 3.3Å; P100-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 3.05Å; V103-K105 PolarHBondContact O-N 3.14Å; K105-L108 PolarHBondContact O-N 2.92Å; K105-S109 PolarHBondContact O-N 3.09Å; K105-S109 PolarHBondContact O-OG 3.32Å |
| 106 | R | 97.3 | Very high | 91.4 | Very high | 156 Ų | 156 | 104.3 Ų | 104.3 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 177.3 | -76.8 | -176.3 | -72.3 | -179.9 | -3.6 | 113.8 | I102 V103 T104 S109 A110 | I102-R106 WeakPolarHBondContact O-CB 3.38Å; I102-R106 WeakPolarHBondContact O-CG 3.47Å; I102-R106 PolarHBondContact O-N 3.12Å; I102-R106 VanDerWaalsContact O-N 3.12Å; I102-R106 PolarHBondContact O-NE 3.42Å; V103-R106 PolarHBondContact O-N 3.32Å; T104-R106 PolarHBondContact O-N 3.5Å; R106-S109 PolarHBondContact O-OG 2.92Å; R106-S109 VanDerWaalsContact O-OG 3.05Å; R106-A110 WeakPolarHBondContact O-CB 3.45Å; R106-A110 PolarHBondContact O-N 3.35Å |
| 107 | V | 97.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 104 Ų | 104 | 39% | 0.394 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | V103 T104 R111 | V103-V107 HydrophobicContact CG1-CG2 4.36Å; V103-V107 WeakPolarHBondContact O-CG2 3.42Å; V103-V107 PolarHBondContact O-N 3.41Å; T104-V107 PolarHBondContact O-N 2.76Å; V107-R111 VanDerWaalsContact O-CG 3.28Å; V107-R111 WeakPolarHBondContact O-CG 3.41Å; V107-R111 PolarHBondContact O-N 3.43Å; V107-R111 VanDerWaalsContact O-N 3.07Å |
| 108 | L | 97.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 176.6 | -69.4 | 174.4 | 0 | 0 | 0 | 112.2 | T104 K105 R111 L112 | T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CB 3.42Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.34Å; T104-L108 PolarHBondContact O-N 2.92Å; K105-L108 PolarHBondContact O-N 2.92Å; L108-R111 PolarHBondContact O-N 3.49Å; L108-L112 PolarHBondContact O-N 3.15Å |
| 109 | S | 97.6 | Very high | 96.3 | Very high | 61 Ų | 61 | 94 Ų | 94 | 43% | 0.427 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | K105 R106 R111 L112 L113 | K105-S109 PolarHBondContact O-N 3.09Å; K105-S109 PolarHBondContact O-OG 3.32Å; R106-S109 PolarHBondContact O-OG 2.92Å; R106-S109 VanDerWaalsContact O-OG 3.05Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 3.29Å; S109-L112 PolarHBondContact O-N 2.87Å; S109-L113 WeakPolarHBondContact O-CG 3.47Å; S109-L113 PolarHBondContact O-N 3.19Å |
| 110 | A | 98.1 | Very high | 97 | Very high | 56 Ų | 56 | 92.6 Ų | 92.6 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R106 L113 K114 | R106-A110 WeakPolarHBondContact O-CB 3.45Å; R106-A110 PolarHBondContact O-N 3.35Å; A110-L113 PolarHBondContact O-N 2.83Å; A110-K114 PolarHBondContact O-N 2.88Å |
| 111 | R | 98.3 | Very high | 97.6 | Very high | 160 Ų | 160 | 93.5 Ų | 93.5 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 173.7 | -74.3 | 172.4 | -178.8 | -174.2 | 1 | 112.3 | V107 L108 S109 K114 I115 | V107-R111 VanDerWaalsContact O-CG 3.28Å; V107-R111 WeakPolarHBondContact O-CG 3.41Å; V107-R111 PolarHBondContact O-N 3.43Å; V107-R111 VanDerWaalsContact O-N 3.07Å; L108-R111 PolarHBondContact O-N 3.49Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 3.29Å; R111-K114 PolarHBondContact O-N 3.01Å; R111-I115 VanDerWaalsContact O-CG1 3.3Å; R111-I115 WeakPolarHBondContact O-CG1 3.31Å; R111-I115 PolarHBondContact O-N 3.02Å |
| 112 | L | 98.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 92.7 Ų | 92.7 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177 | -178 | 62.1 | 0 | 0 | 0 | 111.5 | L108 S109 I115 N116 | L108-L112 PolarHBondContact O-N 3.15Å; S109-L112 PolarHBondContact O-N 2.87Å; L112-I115 PolarHBondContact O-N 3.27Å; L112-N116 VanDerWaalsContact O-CG 3.26Å; L112-N116 PolarHBondContact O-N 3.22Å; L112-N116 PolarHBondContact O-OD1 3.05Å |
| 113 | L | 98.6 | Very high | 98.1 | Very high | 116 Ų | 116 | 90.1 Ų | 90.1 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.6 | -45.9 | 174.4 | -70.6 | 172.3 | 0 | 0 | 0 | 111.5 | S109 A110 I115 N116 E117 | S109-L113 WeakPolarHBondContact O-CG 3.47Å; S109-L113 PolarHBondContact O-N 3.19Å; A110-L113 PolarHBondContact O-N 2.83Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 3.31Å; L113-N116 PolarHBondContact O-N 3.37Å; L113-E117 WeakPolarHBondContact O-CB 3.47Å; L113-E117 PolarHBondContact O-N 3.28Å |
| 114 | K | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 91.5 Ų | 91.5 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -32 | 177.4 | -171.4 | 52.7 | 178.7 | 163.9 | 0 | 113 | A110 R111 E117 L118 E121 | A110-K114 PolarHBondContact O-N 2.88Å; R111-K114 PolarHBondContact O-N 3.01Å; K114-E117 HydrophobicContact CD-CB 4.25Å; K114-E117 HydrophobicContact CD-CG 4.46Å; K114-E117 WeakPolarHBondContact CD-OE2 3.34Å; K114-E117 IonicContact NZ-OE1 2.69Å; K114-E117 PolarHBondContact NZ-OE1 3.18Å; K114-E117 IonicContact NZ-OE2 3.29Å; K114-E117 PolarHBondContact NZ-OE2 3.17Å; K114-L118 HydrophobicContact CD-CD1 4.37Å; K114-L118 HydrophobicContact CD-CG 4.16Å; K114-L118 HydrophobicContact CG-CD1 4.09Å; K114-L118 HydrophobicContact CG-CG 4.39Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 VanDerWaalsContact O-CG 3.24Å; K114-L118 WeakPolarHBondContact O-CG 3.5Å; K114-L118 PolarHBondContact O-N 2.92Å; K114-E121 IonicContact NZ-OE1 3.17Å; K114-E121 PolarHBondContact NZ-OE1 3.22Å; K114-E121 VanDerWaalsContact NZ-OE1 3.17Å |
| 115 | I | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 93.5 Ų | 93.5 | 44% | 0.441 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 171.6 | -71.9 | 163.4 | 0 | 0 | 0 | 110.4 | R111 L112 L113 L118 Q119 | R111-I115 VanDerWaalsContact O-CG1 3.3Å; R111-I115 WeakPolarHBondContact O-CG1 3.31Å; R111-I115 PolarHBondContact O-N 3.02Å; L112-I115 PolarHBondContact O-N 3.27Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 3.31Å; I115-L118 PolarHBondContact O-N 3.24Å; I115-Q119 HydrophobicContact CG2-CG 4.47Å; I115-Q119 WeakPolarHBondContact O-CB 3.49Å; I115-Q119 VanDerWaalsContact O-CG 3.28Å; I115-Q119 WeakPolarHBondContact O-CG 3.26Å; I115-Q119 PolarHBondContact O-N 3.2Å |
| 116 | N | 98.7 | Very high | 98.4 | Very high | 67 Ų | 67 | 95 Ų | 95 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 179 | -65.2 | -11.9 | 0 | 0 | 0 | 111.9 | L112 L113 Q119 N120 | L112-N116 VanDerWaalsContact O-CG 3.26Å; L112-N116 PolarHBondContact O-N 3.22Å; L112-N116 PolarHBondContact O-OD1 3.05Å; L113-N116 PolarHBondContact O-N 3.37Å; N116-Q119 PolarHBondContact O-N 2.98Å; N116-N120 PolarHBondContact O-N 3.44Å; N116-N120 PolarHBondContact O-ND2 3Å |
| 117 | E | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 92.7 Ų | 92.7 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.6 | -51.3 | 174.1 | -171 | -168.3 | 154 | 0 | 0 | 111.1 | L113 K114 Q119 N120 E121 | L113-E117 WeakPolarHBondContact O-CB 3.47Å; L113-E117 PolarHBondContact O-N 3.28Å; K114-E117 HydrophobicContact CD-CB 4.25Å; K114-E117 HydrophobicContact CD-CG 4.46Å; K114-E117 WeakPolarHBondContact CD-OE2 3.34Å; K114-E117 IonicContact NZ-OE1 2.69Å; K114-E117 PolarHBondContact NZ-OE1 3.18Å; K114-E117 IonicContact NZ-OE2 3.29Å; K114-E117 PolarHBondContact NZ-OE2 3.17Å; E117-Q119 VanDerWaalsContact C-N 3.32Å; E117-Q119 PolarHBondContact O-N 3.09Å; E117-N120 WeakPolarHBondContact O-CB 3.47Å; E117-N120 PolarHBondContact O-N 3.05Å; E117-N120 VanDerWaalsContact O-N 3.14Å; E117-E121 WeakPolarHBondContact O-CG 3.22Å; E117-E121 PolarHBondContact O-N 3.16Å |
| 118 | L | 98.8 | Very high | 98.5 | Very high | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 177.5 | -69.4 | 169.3 | 0 | 0 | 0 | 112.8 | K114 I115 E121 V122 | K114-L118 HydrophobicContact CD-CD1 4.37Å; K114-L118 HydrophobicContact CD-CG 4.16Å; K114-L118 HydrophobicContact CG-CD1 4.09Å; K114-L118 HydrophobicContact CG-CG 4.39Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 VanDerWaalsContact O-CG 3.24Å; K114-L118 WeakPolarHBondContact O-CG 3.5Å; K114-L118 PolarHBondContact O-N 2.92Å; I115-L118 PolarHBondContact O-N 3.24Å; L118-E121 PolarHBondContact O-N 2.85Å; L118-V122 WeakPolarHBondContact O-CB 3.45Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.26Å; L118-V122 PolarHBondContact O-N 3.05Å |
| 119 | Q | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 173.7 | -76.7 | 175.1 | -6.9 | 0 | 0 | 112.1 | I115 N116 E117 S123 | I115-Q119 HydrophobicContact CG2-CG 4.47Å; I115-Q119 WeakPolarHBondContact O-CB 3.49Å; I115-Q119 VanDerWaalsContact O-CG 3.28Å; I115-Q119 WeakPolarHBondContact O-CG 3.26Å; I115-Q119 PolarHBondContact O-N 3.2Å; N116-Q119 PolarHBondContact O-N 2.98Å; E117-Q119 VanDerWaalsContact C-N 3.32Å; E117-Q119 PolarHBondContact O-N 3.09Å; Q119-S123 WeakPolarHBondContact O-CB 3.48Å; Q119-S123 PolarHBondContact O-N 3Å; Q119-S123 PolarHBondContact O-OG 2.86Å |
| 120 | N | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 94.9 Ų | 94.9 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -47.7 | 173.3 | -66.7 | -19.6 | 0 | 0 | 0 | 110.8 | N116 E117 V122 S123 E124 | N116-N120 PolarHBondContact O-N 3.44Å; N116-N120 PolarHBondContact O-ND2 3Å; E117-N120 WeakPolarHBondContact O-CB 3.47Å; E117-N120 PolarHBondContact O-N 3.05Å; E117-N120 VanDerWaalsContact O-N 3.14Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 2.87Å; N120-S123 WeakPolarHBondContact O-CB 3.39Å; N120-S123 PolarHBondContact O-N 3.31Å; N120-S123 VanDerWaalsContact O-N 3.09Å; N120-E124 PolarHBondContact O-N 3.06Å |
| 121 | E | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53.8 | -48.3 | 175.3 | -70.6 | 173.7 | -130.5 | 0 | 0 | 111.6 | K114 E117 L118 S123 E124 L125 | K114-E121 IonicContact NZ-OE1 3.17Å; K114-E121 PolarHBondContact NZ-OE1 3.22Å; K114-E121 VanDerWaalsContact NZ-OE1 3.17Å; E117-E121 WeakPolarHBondContact O-CG 3.22Å; E117-E121 PolarHBondContact O-N 3.16Å; L118-E121 PolarHBondContact O-N 2.85Å; E121-S123 VanDerWaalsContact C-N 3.34Å; E121-S123 PolarHBondContact O-N 3.24Å; E121-E124 PolarHBondContact O-N 3Å; E121-L125 WeakPolarHBondContact O-CB 3.44Å; E121-L125 VanDerWaalsContact O-CG 3.27Å; E121-L125 WeakPolarHBondContact O-CG 3.2Å; E121-L125 PolarHBondContact O-N 2.93Å |
| 122 | V | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 93.9 Ų | 93.9 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 176.8 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | L118 N120 L125 Q126 | L118-V122 WeakPolarHBondContact O-CB 3.45Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.26Å; L118-V122 PolarHBondContact O-N 3.05Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 2.87Å; V122-L125 PolarHBondContact O-N 3.11Å; V122-Q126 VanDerWaalsContact O-CG 3.28Å; V122-Q126 WeakPolarHBondContact O-CG 3.47Å; V122-Q126 PolarHBondContact O-N 2.76Å |
| 123 | S | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 94.3 Ų | 94.3 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | Q119 N120 E121 L125 Q126 V127 | Q119-S123 WeakPolarHBondContact O-CB 3.48Å; Q119-S123 PolarHBondContact O-N 3Å; Q119-S123 PolarHBondContact O-OG 2.86Å; N120-S123 WeakPolarHBondContact O-CB 3.39Å; N120-S123 PolarHBondContact O-N 3.31Å; N120-S123 VanDerWaalsContact O-N 3.09Å; E121-S123 VanDerWaalsContact C-N 3.34Å; E121-S123 PolarHBondContact O-N 3.24Å; S123-L125 PolarHBondContact O-N 3.05Å; S123-Q126 PolarHBondContact O-N 3.31Å; S123-V127 WeakPolarHBondContact O-CG2 3.49Å; S123-V127 PolarHBondContact O-N 3.09Å |
| 124 | E | 98.8 | Very high | 98.8 | Very high | 107 Ų | 107 | 95.8 Ų | 95.8 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174 | -76.3 | -171.7 | -151.1 | 0 | 0 | 112.5 | N120 E121 Q126 V127 K128 | N120-E124 PolarHBondContact O-N 3.06Å; E121-E124 PolarHBondContact O-N 3Å; E124-Q126 VanDerWaalsContact C-N 3.33Å; E124-V127 PolarHBondContact O-N 3.36Å; E124-K128 WeakPolarHBondContact O-CB 3.4Å; E124-K128 WeakPolarHBondContact O-CD 3.44Å; E124-K128 VanDerWaalsContact O-CG 3.28Å; E124-K128 WeakPolarHBondContact O-CG 3.46Å; E124-K128 PolarHBondContact O-N 3.12Å; E124-K128 IonicContact OE2-NZ 2.78Å; E124-K128 PolarHBondContact OE2-NZ 2.77Å |
| 125 | L | 98.8 | Very high | 98.8 | Very high | 110 Ų | 110 | 96 Ų | 96 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -37.1 | 178.3 | -72.4 | 172.1 | 0 | 0 | 0 | 111.7 | E121 V122 S123 K128 L129 | E121-L125 WeakPolarHBondContact O-CB 3.44Å; E121-L125 VanDerWaalsContact O-CG 3.27Å; E121-L125 WeakPolarHBondContact O-CG 3.2Å; E121-L125 PolarHBondContact O-N 2.93Å; V122-L125 PolarHBondContact O-N 3.11Å; S123-L125 PolarHBondContact O-N 3.05Å; L125-K128 PolarHBondContact O-N 3.09Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.49Å; L125-L129 PolarHBondContact O-N 2.94Å |
| 126 | Q | 98.8 | Very high | 98.8 | Very high | 125 Ų | 125 | 95.3 Ų | 95.3 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 173 | -73.9 | 172.4 | 7.3 | 0 | 0 | 112.1 | V122 S123 E124 L129 A130 | V122-Q126 VanDerWaalsContact O-CG 3.28Å; V122-Q126 WeakPolarHBondContact O-CG 3.47Å; V122-Q126 PolarHBondContact O-N 2.76Å; S123-Q126 PolarHBondContact O-N 3.31Å; E124-Q126 VanDerWaalsContact C-N 3.33Å; Q126-L129 PolarHBondContact O-N 3.36Å; Q126-A130 WeakPolarHBondContact O-CB 3.49Å; Q126-A130 PolarHBondContact O-N 3.41Å |
| 127 | V | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 99.5 Ų | 99.5 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | S123 E124 L129 A130 Q131 | S123-V127 WeakPolarHBondContact O-CG2 3.49Å; S123-V127 PolarHBondContact O-N 3.09Å; E124-V127 PolarHBondContact O-N 3.36Å; V127-L129 VanDerWaalsContact C-N 3.34Å; V127-L129 PolarHBondContact O-N 3.32Å; V127-A130 PolarHBondContact O-N 2.85Å; V127-Q131 PolarHBondContact O-N 3.04Å |
| 128 | K | 98.8 | Very high | 98.8 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 176.1 | -72 | 162 | -173.3 | 158.4 | 0 | 111.2 | E124 L125 Q131 L132 | E124-K128 WeakPolarHBondContact O-CB 3.4Å; E124-K128 WeakPolarHBondContact O-CD 3.44Å; E124-K128 VanDerWaalsContact O-CG 3.28Å; E124-K128 WeakPolarHBondContact O-CG 3.46Å; E124-K128 PolarHBondContact O-N 3.12Å; E124-K128 IonicContact OE2-NZ 2.78Å; E124-K128 PolarHBondContact OE2-NZ 2.77Å; L125-K128 PolarHBondContact O-N 3.09Å; K128-Q131 PolarHBondContact O-N 3.48Å; K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 WeakPolarHBondContact O-CG 3.45Å; K128-L132 PolarHBondContact O-N 3.03Å |
| 129 | L | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.3 | 179.1 | 62.1 | 0 | 0 | 0 | 112.2 | L125 Q126 V127 Q131 L132 L133 | L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.49Å; L125-L129 PolarHBondContact O-N 2.94Å; Q126-L129 PolarHBondContact O-N 3.36Å; V127-L129 VanDerWaalsContact C-N 3.34Å; V127-L129 PolarHBondContact O-N 3.32Å; L129-Q131 VanDerWaalsContact C-N 3.32Å; L129-Q131 PolarHBondContact O-N 2.93Å; L129-L132 PolarHBondContact O-N 3.04Å; L129-L133 HydrophobicContact CD1-CD1 4.2Å; L129-L133 HydrophobicContact CD1-CG 4.24Å; L129-L133 HydrophobicContact CG-CD1 4.08Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 2.7Å |
| 130 | A | 98.7 | Very high | 98.8 | Very high | 60 Ų | 60 | 99.7 Ų | 99.7 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q126 V127 K134 | Q126-A130 WeakPolarHBondContact O-CB 3.49Å; Q126-A130 PolarHBondContact O-N 3.41Å; V127-A130 PolarHBondContact O-N 2.85Å; A130-K134 PolarHBondContact O-N 2.84Å; A130-K134 VanDerWaalsContact O-N 3.11Å |
| 131 | Q | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 97.2 Ų | 97.2 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -48 | 175.9 | -178.9 | 60.9 | 18.3 | 0 | 0 | 111.7 | V127 K128 L129 L133 K134 E135 | V127-Q131 PolarHBondContact O-N 3.04Å; K128-Q131 PolarHBondContact O-N 3.48Å; L129-Q131 VanDerWaalsContact C-N 3.32Å; L129-Q131 PolarHBondContact O-N 2.93Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.38Å; Q131-K134 WeakPolarHBondContact O-CB 3.45Å; Q131-K134 PolarHBondContact O-N 3.13Å; Q131-K134 VanDerWaalsContact O-N 3.12Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.45Å; Q131-E135 PolarHBondContact NE2-OE1 3.43Å; Q131-E135 WeakPolarHBondContact O-CG 3.38Å; Q131-E135 PolarHBondContact O-N 2.87Å |
| 132 | L | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -37.2 | 177.1 | -72.9 | 171.5 | 0 | 0 | 0 | 112.7 | K128 L129 E135 N136 | K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 WeakPolarHBondContact O-CG 3.45Å; K128-L132 PolarHBondContact O-N 3.03Å; L129-L132 PolarHBondContact O-N 3.04Å; L132-E135 PolarHBondContact O-N 3.43Å; L132-N136 VanDerWaalsContact O-CB 3.24Å; L132-N136 WeakPolarHBondContact O-CB 3.45Å; L132-N136 PolarHBondContact O-N 3Å |
| 133 | L | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 174.5 | -73 | 171.6 | 0 | 0 | 0 | 112.2 | L129 Q131 K137 | L129-L133 HydrophobicContact CD1-CD1 4.2Å; L129-L133 HydrophobicContact CD1-CG 4.24Å; L129-L133 HydrophobicContact CG-CD1 4.08Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 2.7Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.38Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 PolarHBondContact O-N 3.11Å |
| 134 | K | 98.8 | Very high | 98.8 | Very high | 147 Ų | 147 | 103 Ų | 103 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 175.3 | -177.6 | -176.1 | 176.1 | -173.7 | 0 | 111.4 | A130 Q131 K137 A138 | A130-K134 PolarHBondContact O-N 2.84Å; A130-K134 VanDerWaalsContact O-N 3.11Å; Q131-K134 WeakPolarHBondContact O-CB 3.45Å; Q131-K134 PolarHBondContact O-N 3.13Å; Q131-K134 VanDerWaalsContact O-N 3.12Å; K134-K137 PolarHBondContact O-N 3.27Å; K134-A138 PolarHBondContact O-N 3.12Å |
| 135 | E | 98.6 | Very high | 98.8 | Very high | 86 Ų | 86 | 105.1 Ų | 105.1 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.7 | -72.5 | 171.6 | -169.1 | 0 | 0 | 111.6 | Q131 L132 K137 A138 L139 | Q131-E135 WeakPolarHBondContact CG-OE1 3.45Å; Q131-E135 PolarHBondContact NE2-OE1 3.43Å; Q131-E135 WeakPolarHBondContact O-CG 3.38Å; Q131-E135 PolarHBondContact O-N 2.87Å; L132-E135 PolarHBondContact O-N 3.43Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.97Å; E135-A138 WeakPolarHBondContact O-CB 3.28Å; E135-A138 PolarHBondContact O-N 3.43Å; E135-L139 WeakPolarHBondContact O-CG 3.24Å; E135-L139 PolarHBondContact O-N 3.45Å |
| 136 | N | 98.7 | Very high | 98.8 | Very high | 73 Ų | 73 | 105 Ų | 105 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 177.3 | -169.1 | -96.3 | 0 | 0 | 0 | 112.3 | L132 K140 | L132-N136 VanDerWaalsContact O-CB 3.24Å; L132-N136 WeakPolarHBondContact O-CB 3.45Å; L132-N136 PolarHBondContact O-N 3Å; N136-K140 WeakPolarHBondContact O-CB 3.38Å; N136-K140 WeakPolarHBondContact O-CG 3.33Å; N136-K140 PolarHBondContact O-N 3.41Å; N136-K140 WeakPolarHBondContact OD1-CD 3.46Å; N136-K140 WeakPolarHBondContact OD1-CE 3.4Å; N136-K140 PolarHBondContact OD1-NZ 3.09Å |
| 137 | K | 98.8 | Very high | 98.7 | Very high | 155 Ų | 155 | 104 Ų | 104 | 67% | 0.674 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 173.2 | -176.1 | 177.8 | 179.2 | 178.8 | 0 | 112 | L133 K134 E135 S141 | L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 PolarHBondContact O-N 3.11Å; K134-K137 PolarHBondContact O-N 3.27Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.97Å; K137-S141 WeakPolarHBondContact O-CB 3.42Å; K137-S141 PolarHBondContact O-N 3.22Å; K137-S141 PolarHBondContact O-OG 3.36Å |
| 138 | A | 98.6 | Very high | 98.7 | Very high | 58 Ų | 58 | 104.6 Ų | 104.6 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K134 E135 S141 L142 | K134-A138 PolarHBondContact O-N 3.12Å; E135-A138 WeakPolarHBondContact O-CB 3.28Å; E135-A138 PolarHBondContact O-N 3.43Å; A138-S141 WeakPolarHBondContact O-CB 3.44Å; A138-S141 PolarHBondContact O-N 3.2Å; A138-L142 PolarHBondContact O-N 2.83Å |
| 139 | L | 98.9 | Very high | 98.7 | Very high | 109 Ų | 109 | 101.3 Ų | 101.3 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 176.8 | -70.5 | 171.3 | 0 | 0 | 0 | 111.9 | E135 S141 L142 Q143 | E135-L139 WeakPolarHBondContact O-CG 3.24Å; E135-L139 PolarHBondContact O-N 3.45Å; L139-S141 VanDerWaalsContact C-N 3.26Å; L139-S141 PolarHBondContact O-N 2.96Å; L139-L142 WeakPolarHBondContact O-CB 3.28Å; L139-L142 PolarHBondContact O-N 2.96Å; L139-Q143 PolarHBondContact O-N 2.72Å |
| 140 | K | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 101.9 Ų | 101.9 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 173.6 | -77 | 169.8 | 172.3 | 160.8 | 0 | 112.6 | N136 L142 Y144 | N136-K140 WeakPolarHBondContact O-CB 3.38Å; N136-K140 WeakPolarHBondContact O-CG 3.33Å; N136-K140 PolarHBondContact O-N 3.41Å; N136-K140 WeakPolarHBondContact OD1-CD 3.46Å; N136-K140 WeakPolarHBondContact OD1-CE 3.4Å; N136-K140 PolarHBondContact OD1-NZ 3.09Å; K140-L142 VanDerWaalsContact C-N 3.33Å; K140-Y144 WeakPolarHBondContact O-CB 3.45Å; K140-Y144 PolarHBondContact O-N 3.19Å |
| 141 | S | 98.7 | Very high | 98.7 | Very high | 52 Ų | 52 | 102.9 Ų | 102.9 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -30.5 | 177 | -56 | 0 | 0 | 0 | 0 | 112.8 | K137 A138 L139 R145 | K137-S141 WeakPolarHBondContact O-CB 3.42Å; K137-S141 PolarHBondContact O-N 3.22Å; K137-S141 PolarHBondContact O-OG 3.36Å; A138-S141 WeakPolarHBondContact O-CB 3.44Å; A138-S141 PolarHBondContact O-N 3.2Å; L139-S141 VanDerWaalsContact C-N 3.26Å; L139-S141 PolarHBondContact O-N 2.96Å; S141-R145 WeakPolarHBondContact O-CG 3.27Å; S141-R145 PolarHBondContact O-NH1 3.1Å; S141-R145 VanDerWaalsContact O-NH1 3.09Å |
| 142 | L | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 105 Ų | 105 | 37% | 0.366 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.4 | -48.6 | 173.1 | 175.5 | 62.7 | 0 | 0 | 0 | 111 | A138 L139 K140 Y144 R145 Q146 | A138-L142 PolarHBondContact O-N 2.83Å; L139-L142 WeakPolarHBondContact O-CB 3.28Å; L139-L142 PolarHBondContact O-N 2.96Å; K140-L142 VanDerWaalsContact C-N 3.33Å; L142-Y144 VanDerWaalsContact C-N 3.33Å; L142-Y144 PolarHBondContact O-N 3.49Å; L142-R145 WeakPolarHBondContact O-CB 3.49Å; L142-R145 PolarHBondContact O-N 2.98Å; L142-Q146 HydrophobicContact CD1-CG 4.35Å; L142-Q146 WeakPolarHBondContact O-CG 3.28Å; L142-Q146 PolarHBondContact O-N 3.03Å |
| 143 | Q | 98.8 | Very high | 98.7 | Very high | 121 Ų | 121 | 106.8 Ų | 106.8 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.2 | -48.7 | 176.8 | -177.2 | -178.2 | -1.1 | 0 | 0 | 111.4 | L139 R145 Q146 E147 | L139-Q143 PolarHBondContact O-N 2.72Å; Q143-R145 VanDerWaalsContact C-N 3.28Å; Q143-R145 PolarHBondContact O-N 3.02Å; Q143-Q146 WeakPolarHBondContact O-CB 3.46Å; Q143-Q146 PolarHBondContact O-N 3.06Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 PolarHBondContact O-N 2.77Å |
| 144 | Y | 98.8 | Very high | 98.6 | Very high | 146 Ų | 146 | 107.2 Ų | 107.2 | 57% | 0.573 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -34.9 | 176.6 | 174.3 | -109.4 | 0 | 0 | 0 | 113.6 | K140 L142 K148 | K140-Y144 WeakPolarHBondContact O-CB 3.45Å; K140-Y144 PolarHBondContact O-N 3.19Å; L142-Y144 VanDerWaalsContact C-N 3.33Å; L142-Y144 PolarHBondContact O-N 3.49Å; Y144-K148 VanDerWaalsContact O-CB 3.26Å; Y144-K148 WeakPolarHBondContact O-CB 3.28Å; Y144-K148 PolarHBondContact O-N 3.09Å |
| 145 | R | 98.6 | Very high | 98.6 | Very high | 151 Ų | 151 | 105 Ų | 105 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.5 | -35.4 | 174.6 | -70 | -171.5 | -54.9 | -93.9 | 6.4 | 112.2 | S141 L142 Q143 A149 | S141-R145 WeakPolarHBondContact O-CG 3.27Å; S141-R145 PolarHBondContact O-NH1 3.1Å; S141-R145 VanDerWaalsContact O-NH1 3.09Å; L142-R145 WeakPolarHBondContact O-CB 3.49Å; L142-R145 PolarHBondContact O-N 2.98Å; Q143-R145 VanDerWaalsContact C-N 3.28Å; Q143-R145 PolarHBondContact O-N 3.02Å; R145-A149 PolarHBondContact O-N 2.97Å; R145-A149 VanDerWaalsContact O-N 3.09Å |
| 146 | Q | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 177.4 | -69.8 | 168.7 | -40.5 | 0 | 0 | 111 | L142 Q143 K148 A149 L150 | L142-Q146 HydrophobicContact CD1-CG 4.35Å; L142-Q146 WeakPolarHBondContact O-CG 3.28Å; L142-Q146 PolarHBondContact O-N 3.03Å; Q143-Q146 WeakPolarHBondContact O-CB 3.46Å; Q143-Q146 PolarHBondContact O-N 3.06Å; Q146-K148 PolarHBondContact O-N 3.39Å; Q146-A149 CarbonylContact O-C 3.59Å; Q146-A149 WeakPolarHBondContact O-CA 3.49Å; Q146-A149 WeakPolarHBondContact O-CB 3.42Å; Q146-A149 PolarHBondContact O-N 3.38Å; Q146-L150 WeakPolarHBondContact O-CG 3.28Å; Q146-L150 PolarHBondContact O-N 3.07Å |
| 147 | E | 98.6 | Very high | 98.6 | Very high | 105 Ų | 105 | 105.6 Ų | 105.6 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56 | -47.9 | 172.9 | -173.1 | 178.6 | -174.4 | 0 | 0 | 111.1 | Q143 A149 L150 N151 | Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 PolarHBondContact O-N 2.77Å; E147-A149 PolarHBondContact O-N 3.45Å; E147-L150 PolarHBondContact O-N 3.3Å; E147-L150 VanDerWaalsContact O-N 3.15Å; E147-N151 PolarHBondContact O-N 3.33Å; E147-N151 PolarHBondContact O-OD1 3.5Å |
| 148 | K | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -24.9 | 174.1 | -175.7 | 170.3 | -177.9 | 175.3 | 0 | 114 | Y144 Q146 K152 | Y144-K148 VanDerWaalsContact O-CB 3.26Å; Y144-K148 WeakPolarHBondContact O-CB 3.28Å; Y144-K148 PolarHBondContact O-N 3.09Å; Q146-K148 PolarHBondContact O-N 3.39Å; K148-K152 WeakPolarHBondContact O-CG 3.42Å |
| 149 | A | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 105.9 Ų | 105.9 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.6 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R145 Q146 E147 K152 F153 | R145-A149 PolarHBondContact O-N 2.97Å; R145-A149 VanDerWaalsContact O-N 3.09Å; Q146-A149 CarbonylContact O-C 3.59Å; Q146-A149 WeakPolarHBondContact O-CA 3.49Å; Q146-A149 WeakPolarHBondContact O-CB 3.42Å; Q146-A149 PolarHBondContact O-N 3.38Å; E147-A149 PolarHBondContact O-N 3.45Å; A149-K152 WeakPolarHBondContact O-CB 2.99Å; A149-K152 PolarHBondContact O-N 3.29Å; A149-F153 HydrophobicContact CB-CE2 4.38Å; A149-F153 VanDerWaalsContact O-CD2 3.22Å; A149-F153 WeakPolarHBondContact O-CD2 3.45Å; A149-F153 PolarHBondContact O-N 3.17Å |
| 150 | L | 98.8 | Very high | 98.5 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.7 | -48.1 | 175.2 | -71.4 | 170.4 | 0 | 0 | 0 | 111.6 | Q146 E147 K152 F153 E154 | Q146-L150 WeakPolarHBondContact O-CG 3.28Å; Q146-L150 PolarHBondContact O-N 3.07Å; E147-L150 PolarHBondContact O-N 3.3Å; E147-L150 VanDerWaalsContact O-N 3.15Å; L150-K152 PolarHBondContact O-N 2.69Å; L150-F153 WeakPolarHBondContact O-CA 3.47Å; L150-F153 WeakPolarHBondContact O-CB 3.24Å; L150-F153 PolarHBondContact O-N 2.9Å; L150-E154 PolarHBondContact O-N 3.39Å |
| 151 | N | 98.4 | Very high | 98.5 | Very high | 81 Ų | 81 | 102.5 Ų | 102.5 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.2 | -35.8 | 178.4 | -62.1 | 14 | 0 | 0 | 0 | 112.2 | E147 E154 D155 | E147-N151 PolarHBondContact O-N 3.33Å; E147-N151 PolarHBondContact O-OD1 3.5Å; N151-E154 PolarHBondContact O-N 2.86Å; N151-D155 VanDerWaalsContact O-CG 3.23Å; N151-D155 PolarHBondContact O-N 2.81Å |
| 152 | K | 98.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 104.8 Ų | 104.8 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.5 | -31 | 175.5 | -70.2 | 178.4 | 170.1 | -159.2 | 0 | 113.5 | K148 A149 L150 A156 | K148-K152 WeakPolarHBondContact O-CG 3.42Å; A149-K152 WeakPolarHBondContact O-CB 2.99Å; A149-K152 PolarHBondContact O-N 3.29Å; L150-K152 PolarHBondContact O-N 2.69Å; K152-A156 WeakPolarHBondContact O-CB 3.28Å; K152-A156 PolarHBondContact O-N 3.02Å; K152-A156 VanDerWaalsContact O-N 3.09Å |
| 153 | F | 98.4 | Very high | 98.4 | Very high | 145 Ų | 145 | 106.9 Ų | 106.9 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.6 | -36.7 | 175 | -64.1 | -46.6 | 0 | 0 | 0 | 110.7 | A149 L150 A156 E157 | A149-F153 HydrophobicContact CB-CE2 4.38Å; A149-F153 VanDerWaalsContact O-CD2 3.22Å; A149-F153 WeakPolarHBondContact O-CD2 3.45Å; A149-F153 PolarHBondContact O-N 3.17Å; L150-F153 WeakPolarHBondContact O-CA 3.47Å; L150-F153 WeakPolarHBondContact O-CB 3.24Å; L150-F153 PolarHBondContact O-N 2.9Å; F153-A156 PolarHBondContact O-N 2.94Å; F153-E157 WeakPolarHBondContact O-CB 3.45Å; F153-E157 PolarHBondContact O-N 2.96Å |
| 154 | E | 98.2 | Very high | 98.4 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 170.3 | -173.8 | 177 | -173.6 | 0 | 0 | 111.4 | L150 N151 A156 E157 N158 | L150-E154 PolarHBondContact O-N 3.39Å; N151-E154 PolarHBondContact O-N 2.86Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.9Å; E154-E157 PolarHBondContact O-N 2.78Å; E154-N158 WeakPolarHBondContact O-CB 3.41Å; E154-N158 PolarHBondContact O-N 3.32Å; E154-N158 PolarHBondContact O-ND2 3.31Å |
| 155 | D | 98.2 | Very high | 98.4 | Very high | 100 Ų | 100 | 104 Ų | 104 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.7 | -47.4 | 172.4 | -69.6 | -32.6 | 0 | 0 | 0 | 111.4 | N151 N158 E159 | N151-D155 VanDerWaalsContact O-CG 3.23Å; N151-D155 PolarHBondContact O-N 2.81Å; D155-N158 WeakPolarHBondContact O-CB 3.48Å; D155-N158 PolarHBondContact O-N 3.4Å; D155-E159 PolarHBondContact O-N 2.74Å |
| 156 | A | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 103.9 Ų | 103.9 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K152 F153 E154 N158 E159 I160 | K152-A156 WeakPolarHBondContact O-CB 3.28Å; K152-A156 PolarHBondContact O-N 3.02Å; K152-A156 VanDerWaalsContact O-N 3.09Å; F153-A156 PolarHBondContact O-N 2.94Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.9Å; A156-N158 VanDerWaalsContact C-N 3.33Å; A156-E159 PolarHBondContact O-N 3.45Å; A156-I160 WeakPolarHBondContact O-CD1 3.28Å; A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.3Å; A156-I160 PolarHBondContact O-N 3.04Å |
| 157 | E | 98.2 | Very high | 98.3 | Very high | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 174.7 | -177 | 171.4 | -164.7 | 0 | 0 | 111.2 | F153 E154 I160 S161 | F153-E157 WeakPolarHBondContact O-CB 3.45Å; F153-E157 PolarHBondContact O-N 2.96Å; E154-E157 PolarHBondContact O-N 2.78Å; E157-I160 PolarHBondContact O-N 2.9Å; E157-S161 VanDerWaalsContact O-CB 3.31Å; E157-S161 WeakPolarHBondContact O-CB 3.43Å; E157-S161 PolarHBondContact O-N 3.23Å; E157-S161 PolarHBondContact O-OG 2.97Å |
| 158 | N | 98.2 | Very high | 98.3 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 172.6 | -75.9 | -55.1 | 0 | 0 | 0 | 112.2 | E154 D155 A156 S161 Q162 | E154-N158 WeakPolarHBondContact O-CB 3.41Å; E154-N158 PolarHBondContact O-N 3.32Å; E154-N158 PolarHBondContact O-ND2 3.31Å; D155-N158 WeakPolarHBondContact O-CB 3.48Å; D155-N158 PolarHBondContact O-N 3.4Å; A156-N158 VanDerWaalsContact C-N 3.33Å; N158-S161 PolarHBondContact O-N 2.91Å; N158-Q162 WeakPolarHBondContact O-CG 3.45Å; N158-Q162 PolarHBondContact O-N 3.38Å |
| 159 | E | 98.2 | Very high | 98.2 | Very high | 136 Ų | 136 | 100.5 Ų | 100.5 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 174.9 | -75.1 | -178.4 | -166.3 | 0 | 0 | 112.4 | D155 A156 Q162 L163 | D155-E159 PolarHBondContact O-N 2.74Å; A156-E159 PolarHBondContact O-N 3.45Å; E159-Q162 PolarHBondContact O-N 3.45Å; E159-L163 PolarHBondContact O-N 3.14Å |
| 160 | I | 98.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 104.5 Ų | 104.5 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.7 | -69.8 | 164 | 0 | 0 | 0 | 110.6 | A156 E157 Q162 L163 I164 | A156-I160 WeakPolarHBondContact O-CD1 3.28Å; A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.3Å; A156-I160 PolarHBondContact O-N 3.04Å; E157-I160 PolarHBondContact O-N 2.9Å; I160-Q162 VanDerWaalsContact C-N 3.33Å; I160-Q162 PolarHBondContact O-N 3.27Å; I160-L163 PolarHBondContact O-N 2.94Å; I160-L163 VanDerWaalsContact O-N 3.14Å; I160-I164 HydrophobicContact CG2-CD1 3.84Å; I160-I164 HydrophobicContact CG2-CG1 4.48Å; I160-I164 WeakPolarHBondContact O-CG1 3.47Å; I160-I164 PolarHBondContact O-N 2.77Å |
| 161 | S | 98.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 101.8 Ų | 101.8 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 178.1 | -62 | 0 | 0 | 0 | 0 | 111.9 | E157 N158 H165 | E157-S161 VanDerWaalsContact O-CB 3.31Å; E157-S161 WeakPolarHBondContact O-CB 3.43Å; E157-S161 PolarHBondContact O-N 3.23Å; E157-S161 PolarHBondContact O-OG 2.97Å; N158-S161 PolarHBondContact O-N 2.91Å; S161-H165 WeakPolarHBondContact O-CB 3.22Å; S161-H165 PolarHBondContact O-N 2.77Å |
| 162 | Q | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 174 | -72.4 | 176.9 | 42.7 | 0 | 0 | 112.9 | N158 E159 I160 H165 R166 | N158-Q162 WeakPolarHBondContact O-CG 3.45Å; N158-Q162 PolarHBondContact O-N 3.38Å; E159-Q162 PolarHBondContact O-N 3.45Å; I160-Q162 VanDerWaalsContact C-N 3.33Å; I160-Q162 PolarHBondContact O-N 3.27Å; Q162-H165 PolarHBondContact O-N 3Å; Q162-R166 VanDerWaalsContact O-CG 3.3Å; Q162-R166 WeakPolarHBondContact O-CG 3.31Å; Q162-R166 PolarHBondContact O-N 3.4Å |
| 163 | L | 98.6 | Very high | 97.8 | Very high | 114 Ų | 114 | 98.2 Ų | 98.2 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 178.8 | -179 | 62.3 | 0 | 0 | 0 | 111 | E159 I160 H165 R166 H167 | E159-L163 PolarHBondContact O-N 3.14Å; I160-L163 PolarHBondContact O-N 2.94Å; I160-L163 VanDerWaalsContact O-N 3.14Å; L163-H165 VanDerWaalsContact C-N 3.34Å; L163-H165 PolarHBondContact O-N 3.44Å; L163-R166 PolarHBondContact O-N 2.99Å; L163-H167 WeakPolarHBondContact O-CB 3.36Å; L163-H167 PolarHBondContact O-N 2.99Å |
| 164 | I | 98.3 | Very high | 97.7 | Very high | 92 Ų | 92 | 97.7 Ų | 97.7 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.8 | -67.1 | 167.9 | 0 | 0 | 0 | 110.4 | I160 H167 N168 | I160-I164 HydrophobicContact CG2-CD1 3.84Å; I160-I164 HydrophobicContact CG2-CG1 4.48Å; I160-I164 WeakPolarHBondContact O-CG1 3.47Å; I160-I164 PolarHBondContact O-N 2.77Å; I164-H167 PolarHBondContact O-N 2.89Å; I164-N168 WeakPolarHBondContact O-CB 3.48Å; I164-N168 VanDerWaalsContact O-CG 3.26Å; I164-N168 PolarHBondContact O-N 2.99Å; I164-N168 PolarHBondContact O-ND2 3.4Å |
| 165 | H | 98.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 179 | -175.7 | 60.1 | 0 | 0 | 0 | 112.4 | S161 Q162 L163 H167 N168 N169 | S161-H165 WeakPolarHBondContact O-CB 3.22Å; S161-H165 PolarHBondContact O-N 2.77Å; Q162-H165 PolarHBondContact O-N 3Å; L163-H165 VanDerWaalsContact C-N 3.34Å; L163-H165 PolarHBondContact O-N 3.44Å; H165-H167 PolarHBondContact O-N 3.46Å; H165-N168 PolarHBondContact O-N 2.97Å; H165-N169 PolarHBondContact CE1-ND2 3.5Å; H165-N169 PolarHBondContact CE1-OD1 3.27Å; H165-N169 PolarHBondContact NE2-ND2 2.9Å; H165-N169 PolarHBondContact O-N 3.34Å; H165-N169 PolarHBondContact O-ND2 2.88Å; H165-N169 PolarHBondContact O-OD1 2.82Å |
| 166 | R | 97.9 | Very high | 96.1 | Very high | 148 Ų | 148 | 105.7 Ų | 105.7 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.1 | -46.8 | 175.8 | -70.6 | 176.1 | -135.4 | 175 | 2.9 | 111.9 | Q162 L163 N168 N169 E170 | Q162-R166 VanDerWaalsContact O-CG 3.3Å; Q162-R166 WeakPolarHBondContact O-CG 3.31Å; Q162-R166 PolarHBondContact O-N 3.4Å; L163-R166 PolarHBondContact O-N 2.99Å; R166-N168 PolarHBondContact O-N 3.45Å; R166-N169 PolarHBondContact O-N 3.07Å; R166-E170 PolarHBondContact O-N 3.05Å |
| 167 | H | 98.1 | Very high | 96 | Very high | 102 Ų | 102 | 109 Ų | 109 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 178.9 | 177.5 | -129.8 | 0 | 0 | 0 | 112.7 | L163 I164 H165 N169 E170 I171 | L163-H167 WeakPolarHBondContact O-CB 3.36Å; L163-H167 PolarHBondContact O-N 2.99Å; I164-H167 PolarHBondContact O-N 2.89Å; H165-H167 PolarHBondContact O-N 3.46Å; H167-N169 VanDerWaalsContact C-N 3.35Å; H167-N169 PolarHBondContact O-N 3.39Å; H167-E170 PolarHBondContact O-N 2.91Å; H167-I171 VanDerWaalsContact CE1-CD1 3.42Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.38Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.35Å; H167-I171 WeakPolarHBondContact O-CG1 3.35Å; H167-I171 PolarHBondContact O-N 3.19Å |
| 168 | N | 97.6 | Very high | 95.9 | Very high | 78 Ų | 78 | 107.7 Ų | 107.7 | 42% | 0.417 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 175.3 | -72 | -17.3 | 0 | 0 | 0 | 112.1 | I164 H165 R166 T172 | I164-N168 WeakPolarHBondContact O-CB 3.48Å; I164-N168 VanDerWaalsContact O-CG 3.26Å; I164-N168 PolarHBondContact O-N 2.99Å; I164-N168 PolarHBondContact O-ND2 3.4Å; H165-N168 PolarHBondContact O-N 2.97Å; R166-N168 PolarHBondContact O-N 3.45Å; N168-T172 WeakPolarHBondContact O-CB 3.1Å; N168-T172 PolarHBondContact O-N 3.36Å; N168-T172 PolarHBondContact O-OG1 3Å |
| 169 | N | 97.2 | Very high | 95.8 | Very high | 80 Ų | 80 | 109.2 Ų | 109.2 | 43% | 0.428 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.9 | -62.7 | -12 | 0 | 0 | 0 | 110.9 | H165 R166 H167 T172 A173 | H165-N169 PolarHBondContact CE1-ND2 3.5Å; H165-N169 PolarHBondContact CE1-OD1 3.27Å; H165-N169 PolarHBondContact NE2-ND2 2.9Å; H165-N169 PolarHBondContact O-N 3.34Å; H165-N169 PolarHBondContact O-ND2 2.88Å; H165-N169 PolarHBondContact O-OD1 2.82Å; R166-N169 PolarHBondContact O-N 3.07Å; H167-N169 VanDerWaalsContact C-N 3.35Å; H167-N169 PolarHBondContact O-N 3.39Å; N169-T172 PolarHBondContact O-N 2.81Å; N169-A173 WeakPolarHBondContact O-CB 3.33Å; N169-A173 PolarHBondContact O-N 2.75Å |
| 170 | E | 97 | Very high | 95.6 | Very high | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.1 | -48 | 174.7 | -176.7 | 177 | -172.7 | 0 | 0 | 112 | R166 H167 T172 A173 L174 | R166-E170 PolarHBondContact O-N 3.05Å; H167-E170 PolarHBondContact O-N 2.91Å; E170-T172 PolarHBondContact O-N 3.12Å; E170-A173 PolarHBondContact O-N 2.7Å; E170-L174 HydrophobicContact CG-CD1 4.12Å; E170-L174 WeakPolarHBondContact O-CB 3.39Å; E170-L174 WeakPolarHBondContact O-CG 3.43Å; E170-L174 PolarHBondContact O-N 2.88Å |
| 171 | I | 97.2 | Very high | 95.5 | Very high | 58 Ų | 58 | 108.1 Ų | 108.1 | 30% | 0.297 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.7 | -36.7 | 174.2 | -74.8 | 171.2 | 0 | 0 | 0 | 111.8 | H167 K175 | H167-I171 VanDerWaalsContact CE1-CD1 3.42Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.38Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.35Å; H167-I171 WeakPolarHBondContact O-CG1 3.35Å; H167-I171 PolarHBondContact O-N 3.19Å; I171-K175 HydrophobicContact CG2-CD 4.03Å; I171-K175 WeakPolarHBondContact O-CD 3.4Å; I171-K175 VanDerWaalsContact O-CG 3.28Å; I171-K175 WeakPolarHBondContact O-CG 3.49Å; I171-K175 PolarHBondContact O-N 3.19Å |
| 172 | T | 96.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 110.9 Ų | 110.9 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.6 | -48 | 179.9 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | N168 N169 E170 L174 K175 E176 | N168-T172 WeakPolarHBondContact O-CB 3.1Å; N168-T172 PolarHBondContact O-N 3.36Å; N168-T172 PolarHBondContact O-OG1 3Å; N169-T172 PolarHBondContact O-N 2.81Å; E170-T172 PolarHBondContact O-N 3.12Å; T172-L174 PolarHBondContact O-N 2.68Å; T172-K175 PolarHBondContact O-N 3.29Å; T172-E176 PolarHBondContact O-N 2.7Å |
| 173 | A | 95.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 111.7 Ų | 111.7 | 55% | 0.554 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.6 | -19.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N169 E170 | N169-A173 WeakPolarHBondContact O-CB 3.33Å; N169-A173 PolarHBondContact O-N 2.75Å; E170-A173 PolarHBondContact O-N 2.7Å |
| 174 | L | 95.1 | Very high | 94.8 | Very high | 134 Ų | 134 | 111.5 Ų | 111.5 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -4.8 | 173 | -70.2 | 173.9 | 0 | 0 | 0 | 113.9 | E170 T172 | E170-L174 HydrophobicContact CG-CD1 4.12Å; E170-L174 WeakPolarHBondContact O-CB 3.39Å; E170-L174 WeakPolarHBondContact O-CG 3.43Å; E170-L174 PolarHBondContact O-N 2.88Å; T172-L174 PolarHBondContact O-N 2.68Å |
| 175 | K | 91.7 | Very high | 94.5 | Very high | 170 Ų | 170 | 113.2 Ų | 113.2 | 74% | 0.739 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -17.8 | 178.5 | -77.1 | 173 | 177.6 | 174.9 | 0 | 113.6 | I171 T172 | I171-K175 HydrophobicContact CG2-CD 4.03Å; I171-K175 WeakPolarHBondContact O-CD 3.4Å; I171-K175 VanDerWaalsContact O-CG 3.28Å; I171-K175 WeakPolarHBondContact O-CG 3.49Å; I171-K175 PolarHBondContact O-N 3.19Å; T172-K175 PolarHBondContact O-N 3.29Å |
| 176 | E | 71.9 | Confident | 94.2 | Very high | 215 Ų | 215 | 113.1 Ų | 113.1 | 100% | 1.005 | 56% | 0.561 | S | S | * | * | trans | -82.7 | 0 | 171.5 | -67.3 | 179.4 | 174.9 | 0 | 0 | 111.4 | T172 | T172-E176 PolarHBondContact O-N 2.7Š|
Retrieved 176 of 176 residues in 175.9 ms
(Link to these results)