| 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 | 48.6 | Very low | 61.7 | Low | 231 Ų | 231 | 153.1 Ų | 153.1 | 100% | 1.138 | 81% | 0.805 | S | S | * | * | 0 | 103.4 | 0 | -173.4 | 164.5 | 162.6 | 0 | 0 | 104.8 | |||||
| 2 | L | 55.9 | Low | 61.2 | Low | 141 Ų | 141 | 153.7 Ų | 153.7 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 69.2 | 99 | 168.1 | -55.7 | 168 | 0 | 0 | 0 | 116.6 | ||||
| 3 | D | 59.1 | Low | 60.7 | Low | 130 Ų | 130 | 152.7 Ų | 152.7 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | 33.4 | 123.4 | 119 | -45.2 | -47.6 | 0 | 0 | 0 | 117.9 | |||||
| 4 | D | 72 | Confident | 60 | Low | 159 Ų | 159 | 156.3 Ų | 156.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | 176.6 | 123.7 | 115.3 | -82.2 | -36.5 | 0 | 0 | 0 | 109 | |||||
| 5 | D | 65.5 | Low | 60 | Low | 178 Ų | 178 | 152.9 Ų | 152.9 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | trans | -67.4 | 127.1 | -177.9 | -69.4 | -68 | 0 | 0 | 0 | 111.6 | ||||
| 6 | D | 72.3 | Confident | 59.6 | Low | 156 Ų | 156 | 153.6 Ų | 153.6 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -117.8 | 146.2 | 174.7 | -161 | 11.8 | 0 | 0 | 0 | 111.3 | ||||
| 7 | V | 58.7 | Low | 59.4 | Low | 115 Ų | 115 | 153.2 Ų | 153.2 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -63.1 | 133.5 | -163.4 | 173.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | S | 65.6 | Low | 59 | Low | 95 Ų | 95 | 153.2 Ų | 153.2 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -133.6 | 99.4 | 161.7 | 167.4 | 0 | 0 | 0 | 0 | 109.4 | K10 | S8-K10 PolarHBondContact O-N 3.2Š| ||
| 9 | D | 57.3 | Low | 58.7 | Low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -54.9 | 115.5 | 165.7 | -65.1 | -46 | 0 | 0 | 0 | 110.7 | ||||
| 10 | K | 64.4 | Low | 58.1 | Low | 162 Ų | 162 | 148.6 Ų | 148.6 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | -145.3 | 127.8 | 164.3 | -80 | -168.8 | -179.7 | 154.2 | 0 | 111.1 | S8 | S8-K10 PolarHBondContact O-N 3.2Š| ||
| 11 | E | 59.5 | Low | 57.7 | Low | 166 Ų | 166 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 76.6 | 80.1 | 144.6 | -63.1 | 168.1 | -159.2 | 0 | 0 | 116.9 | D13 | E11-D13 PolarHBondContact O-N 3.04Š| ||
| 12 | N | 55.6 | Low | 57.8 | Low | 160 Ų | 160 | 144.9 Ų | 144.9 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -80.8 | 96.9 | 144.3 | -89.7 | 12.6 | 0 | 0 | 0 | 108.4 | Y14 | N12-Y14 PolarHBondContact O-N 3.49Š| ||
| 13 | D | 53.9 | Low | 57.7 | Low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -80.5 | 97.5 | 164.5 | -164.9 | 16.2 | 0 | 0 | 0 | 107.7 | E11 | E11-D13 PolarHBondContact O-N 3.04Š| ||
| 14 | Y | 51.5 | Low | 57.5 | Low | 203 Ų | 203 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -115.4 | 112.3 | 164.7 | -99.8 | -87.4 | 0 | 0 | 0 | 108.1 | N12 D16 | N12-Y14 PolarHBondContact O-N 3.49Å; Y14-D16 PolarHBondContact O-N 3.42Å | ||
| 15 | T | 59.5 | Low | 56.2 | Low | 106 Ų | 106 | 143.2 Ų | 143.2 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -71.2 | 103.8 | 176.2 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | L17 | T15-L17 PolarHBondContact O-N 3.36Š| ||
| 16 | D | 54.8 | Low | 55.6 | Low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -71.2 | 95.9 | 163.1 | -88.1 | -29.9 | 0 | 0 | 0 | 108.5 | Y14 D18 | Y14-D16 PolarHBondContact O-N 3.42Å; D16-D18 PolarHBondContact O-N 2.85Å; D16-D18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | L | 56.3 | Low | 54.8 | Low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -74.6 | 92.7 | 168.5 | -83.6 | 164.1 | 0 | 0 | 0 | 109.4 | T15 T19 | T15-L17 PolarHBondContact O-N 3.36Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 2.93Å; L17-T19 PolarHBondContact O-OG1 3.01Å | ||
| 18 | D | 52.1 | Low | 55 | Low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -60.8 | 91.3 | 164.5 | -150.7 | 3 | 0 | 0 | 0 | 109.2 | D16 S20 | D16-D18 PolarHBondContact O-N 2.85Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D18-S20 PolarHBondContact O-N 3.5Å | ||
| 19 | T | 51.8 | Low | 54.6 | Low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -96.9 | 74.5 | 172.6 | 15.1 | 0 | 0 | 0 | 0 | 109.4 | L17 T21 | L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 2.93Å; L17-T19 PolarHBondContact O-OG1 3.01Å; T19-T21 PolarHBondContact O-N 2.94Å | ||
| 20 | S | 47.5 | Very low | 54.4 | Low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -61.2 | 99.1 | 162.9 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | D18 H22 | D18-S20 PolarHBondContact O-N 3.5Å; S20-H22 PolarHBondContact O-N 2.93Å | ||
| 21 | T | 49.5 | Very low | 53.6 | Low | 133 Ų | 133 | 142.3 Ų | 142.3 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -86.1 | 86.3 | 166.9 | 23.5 | 0 | 0 | 0 | 0 | 108.6 | T19 L23 | T19-T21 PolarHBondContact O-N 2.94Å; T21-L23 PolarHBondContact O-N 3.2Å | ||
| 22 | H | 50.3 | Low | 53 | Low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | -55.1 | 112.9 | 159.4 | -113.2 | -87.2 | 0 | 0 | 0 | 109 | S20 | S20-H22 PolarHBondContact O-N 2.93Š| ||
| 23 | L | 53.8 | Low | 52.5 | Low | 157 Ų | 157 | 138.1 Ų | 138.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -88.6 | 133.6 | 160.2 | -77.3 | 172.9 | 0 | 0 | 0 | 109 | T21 S25 | T21-L23 PolarHBondContact O-N 3.2Å; L23-S25 PolarHBondContact O-N 2.81Å | ||
| 24 | P | 54.9 | Low | 52.1 | Low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 123.3 | -172.1 | 28.9 | -33 | 0 | 0 | 0 | 111.2 | S26 | P24-S26 PolarHBondContact O-N 3.45Š| ||
| 25 | S | 46.1 | Very low | 52.2 | Low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 105 | 158.1 | 65.8 | 0 | 0 | 0 | 0 | 108.9 | L23 | L23-S25 PolarHBondContact O-N 2.81Š| ||
| 26 | S | 51.2 | Low | 52 | Low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -171.7 | 96 | 152.2 | -143.6 | 0 | 0 | 0 | 0 | 109.5 | P24 | P24-S26 PolarHBondContact O-N 3.45Š| ||
| 27 | I | 57 | Low | 51.4 | Low | 165 Ų | 165 | 145.5 Ų | 145.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -110.6 | 119.6 | 157.5 | -62.3 | 175.7 | 0 | 0 | 0 | 105.2 | ||||
| 28 | P | 63.3 | Low | 51.1 | Low | 97 Ų | 97 | 142 Ų | 142 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | trans | -71 | 148.5 | 179.9 | 29.7 | -33.7 | 0 | 0 | 0 | 110.8 | I30 | P28-I30 PolarHBondContact O-N 2.81Š| ||
| 29 | P | 55.4 | Low | 51 | Low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 130.5 | 172.6 | 28.7 | -28.9 | 0 | 0 | 0 | 109.3 | E31 | P29-E31 PolarHBondContact O-N 3.4Š| ||
| 30 | I | 54.2 | Low | 50.7 | Low | 167 Ų | 167 | 144.1 Ų | 144.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 101.8 | 170.2 | -57.7 | 171.8 | 0 | 0 | 0 | 106.9 | P28 | P28-I30 PolarHBondContact O-N 2.81Š| ||
| 31 | E | 46.5 | Very low | 50.8 | Low | 176 Ų | 176 | 145.7 Ų | 145.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 156.9 | 159.6 | -109.8 | -179.9 | 159.9 | 0 | 0 | 110.1 | P29 | P29-E31 PolarHBondContact O-N 3.4Š| ||
| 32 | S | 48 | Very low | 50.5 | Low | 107 Ų | 107 | 145.2 Ų | 145.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 101.9 | 123.7 | 175.8 | -52.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 33 | T | 45.1 | Very low | 50.7 | Low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | cis | -164.1 | 136 | 9.4 | 8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 34 | R | 45.8 | Very low | 50.5 | Low | 247 Ų | 247 | 138.8 Ų | 138.8 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 123 | 175.5 | -167.3 | -177.9 | -150.5 | 173.6 | 4.9 | 108.9 | ||
| 35 | I | 53.6 | Low | 50.3 | Low | 157 Ų | 157 | 139.8 Ų | 139.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 131.8 | 168.8 | -60.7 | 177.2 | 0 | 0 | 0 | 108.2 | ||
| 36 | P | 54.1 | Low | 50.6 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144.9 | -176.4 | 19 | -7.2 | 0 | 0 | 0 | 112.8 | ||
| 37 | R | 42.2 | Very low | 50.5 | Low | 248 Ų | 248 | 141.7 Ų | 141.7 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.1 | 164.5 | -89.7 | 176.3 | 162.4 | 159.3 | -5.6 | 109.2 | ||
| 38 | G | 50.8 | Low | 50.1 | Low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -105.5 | 122.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 39 | E | 50.7 | Low | 49.4 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -53.8 | 134.4 | 166.4 | 51.6 | -132.2 | 134 | 0 | 0 | 113.3 | ||||
| 40 | E | 44.2 | Very low | 49 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 93.9 | 120.3 | 102.9 | 75.5 | -167.9 | 152 | 0 | 0 | 114.4 | |||||
| 41 | S | 49.3 | Very low | 48.5 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | 176.8 | 128.2 | 140.2 | -77.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 42 | S | 44 | Very low | 48.5 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -89.5 | 153 | -178.5 | 80.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | S | 53.6 | Low | 48.3 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -171.6 | 97.8 | 161.5 | 176.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 44 | S | 50.8 | Low | 48.3 | Very low | 83 Ų | 83 | 159.6 Ų | 159.6 | 58% | 0.58 | 81% | 0.807 | S | S | * | * | 78.2 | 116.5 | 80 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 45 | D | 49.7 | Very low | 48.2 | Very low | 139 Ų | 139 | 156.3 Ų | 156.3 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 65.1 | 136.7 | 138 | -53.2 | -14.7 | 0 | 0 | 0 | 117.1 | ||||
| 46 | D | 53.2 | Low | 47.8 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | cis | -164.4 | 154.6 | 5.5 | -89.4 | -37 | 0 | 0 | 0 | 107.7 | ||||
| 47 | D | 49.3 | Very low | 47.6 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 10.1 | 133.4 | 150 | -57.6 | -45.3 | 0 | 0 | 0 | 121.7 | ||||
| 48 | D | 48.3 | Very low | 47.7 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -175.9 | 131.9 | 112.2 | -100.4 | -32.1 | 0 | 0 | 0 | 113.1 | |||||
| 49 | E | 47.9 | Very low | 47.5 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -69.2 | 143.5 | -179.2 | -63.4 | -151.5 | 155.7 | 0 | 0 | 114.3 | ||||
| 50 | R | 48.7 | Very low | 47.3 | Very low | 252 Ų | 252 | 156.9 Ų | 156.9 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -154 | 107.6 | 141.5 | -111 | 178.4 | -137.9 | -114.3 | 4 | 112 | ||||
| 51 | R | 43.4 | Very low | 47.5 | Very low | 216 Ų | 216 | 154.2 Ų | 154.2 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -62 | 132.3 | 164.6 | -71 | 170.6 | 147.7 | -140.2 | -5.5 | 111.4 | ||||
| 52 | L | 46.6 | Very low | 47.2 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -143.2 | 111.7 | 147.3 | -74.9 | -179.1 | 0 | 0 | 0 | 109.2 | ||||
| 53 | N | 42 | Very low | 47.6 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -69.2 | 134.4 | 162 | -74.5 | 2.1 | 0 | 0 | 0 | 108.3 | ||||
| 54 | Y | 45.3 | Very low | 46.9 | Very low | 218 Ų | 218 | 154.5 Ų | 154.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -126.7 | 108.4 | 162.6 | -136.1 | -96.7 | 0 | 0 | 0 | 108.5 | S56 | Y54-S56 WeakPolarHBondContact CD1-OG 3.43Å; Y54-S56 WeakPolarHBondContact CE1-OG 3.43Å | ||
| 55 | E | 44.4 | Very low | 47.1 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -100.6 | 128.9 | 169.7 | -169.4 | 150.5 | -172 | 0 | 0 | 106 | ||||
| 56 | S | 46 | Very low | 46.8 | Very low | 91 Ų | 91 | 157.5 Ų | 157.5 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | trans | -135.5 | 88.2 | 177.1 | -75.8 | 0 | 0 | 0 | 0 | 109.5 | Y54 | Y54-S56 WeakPolarHBondContact CD1-OG 3.43Å; Y54-S56 WeakPolarHBondContact CE1-OG 3.43Å | ||
| 57 | S | 49.2 | Very low | 46.8 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | 34.1 | 108.7 | 121.6 | -38.5 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 58 | E | 43.9 | Very low | 46.6 | Very low | 196 Ų | 196 | 155.7 Ų | 155.7 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -66 | 134 | 156.2 | -58.7 | 179 | 151.2 | 0 | 0 | 110 | ||||
| 59 | Q | 46.2 | Very low | 46.5 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -122.2 | 103.4 | 165.6 | -102.9 | -175.7 | -14.3 | 0 | 0 | 108.8 | ||||
| 60 | E | 46.3 | Very low | 46.6 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -72.6 | 133.5 | 156.9 | -66.7 | -170.7 | 145 | 0 | 0 | 108.9 | ||||
| 61 | S | 50.2 | Low | 46.7 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -137.6 | 96.6 | 169.6 | -71.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 62 | N | 42 | Very low | 47 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -107.7 | 103.7 | 163.5 | -85.3 | -36 | 0 | 0 | 0 | 107.7 | ||||
| 63 | S | 52.2 | Low | 47 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -103.1 | 119.7 | 172.3 | 58.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 64 | G | 39.9 | Very low | 47.5 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 144.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 65 | V | 55.4 | Low | 47.6 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -127.1 | 115 | 165.8 | 160.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 66 | T | 42.3 | Very low | 47.7 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -98.6 | 133.1 | 162.2 | 49.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 67 | G | 53.8 | Low | 47.9 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -160.8 | 101.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 68 | D | 44.8 | Very low | 48 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -61.3 | 151.7 | 164.1 | -61.6 | -57.5 | 0 | 0 | 0 | 110.4 | ||||
| 69 | E | 47.1 | Very low | 48.2 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 165.1 | 97.8 | 137.5 | -78.8 | -111.8 | 138.3 | 0 | 0 | 110 | ||||
| 70 | A | 48.2 | Very low | 48.1 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | 46.8 | 125.4 | 118.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 71 | E | 51.8 | Low | 48 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 105.9 | 121.8 | 132.8 | -64.4 | -97.3 | 158.9 | 0 | 0 | 120.5 | ||||
| 72 | S | 49.4 | Very low | 48 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | 84.9 | 140.5 | 139.9 | 89.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 73 | I | 46.2 | Very low | 47.8 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | cis | -170 | 138.9 | 5.7 | -117.5 | 168.1 | 0 | 0 | 0 | 107.5 | ||||
| 74 | V | 53.6 | Low | 47.4 | Very low | 109 Ų | 109 | 134 Ų | 134 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | trans | 51.1 | 127.1 | 147.4 | -50.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 75 | N | 47 | Very low | 47.4 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | 165.2 | 99.5 | 110.3 | -77 | -35.2 | 0 | 0 | 0 | 107.3 | |||||
| 76 | D | 46.2 | Very low | 46.5 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | 67.1 | 99 | 80.3 | -152.1 | 2.7 | 0 | 0 | 0 | 112.2 | |||||
| 77 | D | 51.4 | Low | 46.5 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | -161.5 | 145.4 | 125.1 | -140.4 | -20.5 | 0 | 0 | 0 | 111.9 | |||||
| 78 | S | 49.4 | Very low | 46.1 | Very low | 80 Ų | 80 | 152.2 Ų | 152.2 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | trans | -98.4 | 164.7 | -154.6 | -67.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 79 | N | 48.3 | Very low | 46.1 | Very low | 160 Ų | 160 | 155 Ų | 155 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 67.5 | 116.4 | 152.9 | -66.2 | -27.8 | 0 | 0 | 0 | 119.1 | ||||
| 80 | D | 45.3 | Very low | 45.7 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 177 | 130.5 | 89.5 | -172.8 | 22.7 | 0 | 0 | 0 | 110.8 | |||||
| 81 | S | 43.9 | Very low | 45.7 | Very low | 98 Ų | 98 | 157.6 Ų | 157.6 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -102.2 | 83 | -169 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 82 | H | 50.2 | Low | 45.4 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -149.1 | 118.8 | 164.8 | -83.2 | -66.8 | 0 | 0 | 0 | 114 | ||||
| 83 | A | 38.4 | Very low | 45.4 | Very low | 90 Ų | 90 | 159 Ų | 159 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 47.2 | 93.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 84 | R | 42.6 | Very low | 45.4 | Very low | 256 Ų | 256 | 161.9 Ų | 161.9 | 97% | 0.966 | 79% | 0.793 | S | S | * | * | trans | -114 | 65.5 | 150.8 | -71.7 | -173.5 | 177.9 | 173.7 | 1.6 | 110.8 | ||||
| 85 | K | 40.9 | Very low | 45.2 | Very low | 186 Ų | 186 | 168.3 Ų | 168.3 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 141.5 | 149.2 | -79.8 | 178.3 | 176.3 | 173 | 0 | 107.8 | ||||
| 86 | N | 36.8 | Very low | 45.3 | Very low | 149 Ų | 149 | 168.4 Ų | 168.4 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 68.4 | 101.1 | 164 | -57.9 | -14.1 | 0 | 0 | 0 | 117.1 | ||||
| 87 | R | 42.4 | Very low | 45.4 | Very low | 250 Ų | 250 | 168.2 Ų | 168.2 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -179.3 | 69 | 146.7 | -99.5 | 158.4 | -172.4 | 169.2 | 4 | 111.5 | ||||
| 88 | R | 43.8 | Very low | 45.1 | Very low | 235 Ų | 235 | 169.1 Ų | 169.1 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -133.9 | 82.2 | 153.5 | -88.2 | -168 | 177.5 | -179.6 | 0.1 | 110.2 | ||
| 89 | R | 45.7 | Very low | 45.1 | Very low | 218 Ų | 218 | 176.9 Ų | 176.9 | 82% | 0.823 | 83% | 0.826 | S | S | * | * | trans | 56.8 | 76.6 | 141.9 | -59.7 | -174 | 176.7 | 111.1 | 0.2 | 116.5 | ||||
| 90 | E | 38.8 | Very low | 44.8 | Very low | 174 Ų | 174 | 180.3 Ų | 180.3 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | -76.8 | 103.7 | 151.9 | -163 | 167 | -153.9 | 0 | 0 | 107.1 | ||||
| 91 | N | 48 | Very low | 44.4 | Very low | 151 Ų | 151 | 178 Ų | 178 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | trans | -113.4 | 57.7 | 167.3 | -86 | -5.9 | 0 | 0 | 0 | 107.4 | ||||
| 92 | D | 46.1 | Very low | 44.5 | Very low | 135 Ų | 135 | 184 Ų | 184 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -113 | 145 | 165.5 | -78.5 | -48 | 0 | 0 | 0 | 107.2 | ||||
| 93 | L | 48.1 | Very low | 44.4 | Very low | 165 Ų | 165 | 180 Ų | 180 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 92.6 | 86.4 | 179.5 | -49.6 | 167.5 | 0 | 0 | 0 | 116.4 | ||
| 94 | K | 47.2 | Very low | 44.7 | Very low | 201 Ų | 201 | 181.7 Ų | 181.7 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | 151.8 | 90.5 | 126.6 | -85.5 | 159.7 | 178.5 | 172.1 | 0 | 109.8 | |||||
| 95 | R | 49 | Very low | 45 | Very low | 244 Ų | 244 | 176.2 Ų | 176.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -150.9 | 125.5 | 152.3 | -103.6 | 171.2 | -170.1 | 110.3 | -0.6 | 108.2 | ||||
| 96 | D | 49.6 | Very low | 44.8 | Very low | 146 Ų | 146 | 176.3 Ų | 176.3 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | -54.3 | 148 | -162.2 | -60.6 | -87.5 | 0 | 0 | 0 | 117.8 | ||||
| 97 | P | 46.7 | Very low | 45.3 | Very low | 133 Ų | 133 | 176.5 Ų | 176.5 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -112.8 | 77.9 | 149.9 | 36.5 | -22.7 | 0 | 0 | 0 | 109.1 | ||||
| 98 | K | 46.7 | Very low | 45.2 | Very low | 181 Ų | 181 | 172.1 Ų | 172.1 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | trans | -132 | 130.8 | 161 | -87.1 | -175.1 | 178.3 | 176.6 | 0 | 108.4 | ||||
| 99 | R | 48.4 | Very low | 44.9 | Very low | 242 Ų | 242 | 168.4 Ų | 168.4 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | 92.8 | 96.4 | 174.8 | -53.3 | 171.7 | -179.2 | -102.6 | 0.4 | 114.3 | ||||
| 100 | R | 42 | Very low | 44.8 | Very low | 232 Ų | 232 | 161.6 Ų | 161.6 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | 173.6 | 104.4 | 84.8 | -170.9 | 170.4 | -99.2 | 171.9 | -8.4 | 108.7 | |||||
| 101 | A | 36.5 | Very low | 44.7 | Very low | 90 Ų | 90 | 162.3 Ų | 162.3 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 142.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 102 | Y | 46.8 | Very low | 44.7 | Very low | 226 Ų | 226 | 162.7 Ų | 162.7 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | 171.8 | 129.4 | 156.6 | -95 | -73.7 | 0 | 0 | 0 | 105.3 | ||||
| 103 | S | 48.5 | Very low | 44.3 | Very low | 76 Ų | 76 | 161.3 Ų | 161.3 | 53% | 0.531 | 80% | 0.802 | S | S | . | * | cis | -171.3 | 127.6 | -8.7 | 151 | 0 | 0 | 0 | 0 | 104.9 | N105 | S103-N105 PolarHBondContact OG-OD1 3.06Š| ||
| 104 | P | 44 | Very low | 44.1 | Very low | 126 Ų | 126 | 159.6 Ų | 159.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 114.3 | 160.7 | -13.8 | 30.6 | 0 | 0 | 0 | 108.8 | E106 | P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | N | 48.2 | Very low | 44 | Very low | 141 Ų | 141 | 157.9 Ų | 157.9 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -73.6 | 101.7 | 170.4 | -82 | -10.2 | 0 | 0 | 0 | 109.2 | S103 | S103-N105 PolarHBondContact OG-OD1 3.06Š| ||
| 106 | E | 37.7 | Very low | 43.5 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 112.2 | 152 | -71.6 | -162.3 | 168.5 | 0 | 0 | 108.7 | P104 | P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.16Å | ||
| 107 | I | 48.3 | Very low | 43.3 | Very low | 153 Ų | 153 | 156.6 Ų | 156.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -154.8 | 132.8 | 166.4 | -57.8 | -178.9 | 0 | 0 | 0 | 102.9 | ||||
| 108 | F | 39.3 | Very low | 43 | Very low | 159 Ų | 159 | 157.8 Ų | 157.8 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | cis | -175.1 | 141 | -5.7 | 171.4 | -101 | 0 | 0 | 0 | 103.2 | ||||
| 109 | E | 38.4 | Very low | 42.9 | Very low | 156 Ų | 156 | 157.1 Ų | 157.1 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | trans | 21 | 127.4 | 152.3 | -52.1 | -178 | -179.6 | 0 | 0 | 120.3 | ||||
| 110 | G | 42.2 | Very low | 42.8 | Very low | 76 Ų | 76 | 150.6 Ų | 150.6 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -175.1 | 70.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N112 | G110-N112 PolarHBondContact O-N 2.95Š| ||
| 111 | H | 38.2 | Very low | 42.5 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -55.9 | 123.4 | 165.4 | -73.9 | -83.4 | 0 | 0 | 0 | 110.2 | ||||
| 112 | N | 46.3 | Very low | 42.6 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -147.2 | 110.9 | 145.2 | -153.6 | -0.9 | 0 | 0 | 0 | 111.1 | G110 | G110-N112 PolarHBondContact O-N 2.95Š| ||
| 113 | T | 38.3 | Very low | 42.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -77.5 | 157.1 | 171.2 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 114 | N | 43.1 | Very low | 42.7 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | 86.7 | 101.4 | 173.5 | -62.9 | -15.4 | 0 | 0 | 0 | 116 | ||||
| 115 | N | 45.4 | Very low | 43.2 | Very low | 165 Ų | 165 | 143 Ų | 143 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | -153.4 | 122.2 | 97.3 | -96.5 | -20.3 | 0 | 0 | 0 | 111 | |||||
| 116 | Q | 39.5 | Very low | 43.7 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -70.1 | 125.3 | 170 | -62 | 168 | -10.3 | 0 | 0 | 107.7 | ||||
| 117 | H | 45.5 | Very low | 44.9 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -143.1 | 129.9 | 152.6 | -156.5 | 81.3 | 0 | 0 | 0 | 109.7 | ||||
| 118 | E | 40.1 | Very low | 45.7 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -87.6 | 135.6 | -160.9 | -71.2 | -176.9 | 159.5 | 0 | 0 | 112.6 | ||||
| 119 | M | 45 | Very low | 47.3 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | 67.3 | 161.8 | 140.1 | -57.4 | -61.7 | -79.4 | 0 | 0 | 119.3 | ||||
| 120 | P | 45.3 | Very low | 49.2 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -133 | 159.8 | -14.1 | 27.6 | -5.9 | 0 | 0 | 0 | 115.1 | ||||
| 121 | S | 36.8 | Very low | 51.1 | Low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | 59.5 | 112.8 | 134.3 | -162.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 122 | G | 37.2 | Very low | 53.2 | Low | 67 Ų | 67 | 130.8 Ų | 130.8 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | 102.9 | 90.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 123 | A | 50 | Low | 54.8 | Low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -171.5 | 64 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D125 | A123-D125 PolarHBondContact O-N 3.07Š| ||
| 124 | D | 48.4 | Very low | 57.1 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -87.4 | 79.6 | 171 | 11.4 | -44 | 0 | 0 | 0 | 108.2 | ||||
| 125 | D | 54.6 | Low | 59.1 | Low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | trans | -151.4 | 10.1 | -179.9 | -106.5 | -19.4 | 0 | 0 | 0 | 117.4 | A123 | A123-D125 PolarHBondContact O-N 3.07Š| ||
| 126 | D | 58.2 | Low | 60.9 | Low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -122.7 | 44.7 | -178.3 | -69.6 | -48.3 | 0 | 0 | 0 | 114.4 | V128 | D126-V128 WeakPolarHBondContact O-CG2 3.49Å; D126-V128 PolarHBondContact O-N 3.16Å | ||
| 127 | A | 63.1 | Low | 63 | Low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 68% | 0.684 | S | S | * | * | trans | -71.3 | 79.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D129 | A127-D129 PolarHBondContact O-N 2.76Š| ||
| 128 | V | 64.8 | Low | 64.7 | Low | 100 Ų | 100 | 120 Ų | 120 | 61% | 0.606 | 67% | 0.669 | S | S | * | * | trans | -58.4 | 107.8 | 171.5 | -155 | 0 | 0 | 0 | 0 | 107.2 | D126 I130 L133 | D126-V128 WeakPolarHBondContact O-CG2 3.49Å; D126-V128 PolarHBondContact O-N 3.16Å; V128-I130 PolarHBondContact O-N 3.41Å; V128-L133 HydrophobicContact CG1-CD1 3.84Å; V128-L133 HydrophobicContact CG1-CG 4.44Å | ||
| 129 | D | 72.7 | Confident | 66.5 | Low | 112 Ų | 112 | 117.4 Ų | 117.4 | 60% | 0.599 | 66% | 0.659 | S | S | * | * | trans | -56.2 | 102.2 | -179.1 | -97.9 | -35.1 | 0 | 0 | 0 | 109.8 | A127 D131 V132 L133 | A127-D129 PolarHBondContact O-N 2.76Å; D129-D131 PolarHBondContact O-N 2.86Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D129-V132 HydrophobicContact CB-CB 3.88Å; D129-V132 HydrophobicContact CB-CG2 3.56Å; D129-V132 WeakPolarHBondContact O-CB 3.22Å; D129-V132 PolarHBondContact O-N 2.93Å; D129-L133 PolarHBondContact O-N 3.35Å; D129-L133 VanDerWaalsContact O-N 3.17Å | ||
| 130 | I | 78.7 | Confident | 67.9 | Low | 144 Ų | 144 | 112.6 Ų | 112.6 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.5 | -33.3 | 178.4 | -61.6 | 164 | 0 | 0 | 0 | 109.7 | V128 L133 E134 | V128-I130 PolarHBondContact O-N 3.41Å; I130-L133 PolarHBondContact O-N 3.42Å; I130-E134 PolarHBondContact O-N 3.47Å |
| 131 | D | 81.2 | Confident | 68.9 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.6 | -34.5 | 177.6 | -161.4 | 40.5 | 0 | 0 | 0 | 112.8 | D129 E134 K135 | D129-D131 PolarHBondContact O-N 2.86Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D131-E134 PolarHBondContact O-N 3.26Å; D131-K135 VanDerWaalsContact O-CB 3.31Å; D131-K135 WeakPolarHBondContact O-CB 3.39Å; D131-K135 PolarHBondContact O-N 3.35Å |
| 132 | V | 82.3 | Confident | 70.2 | Confident | 80 Ų | 80 | 119.1 Ų | 119.1 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.4 | -40.3 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | D129 K135 L136 | D129-V132 HydrophobicContact CB-CB 3.88Å; D129-V132 HydrophobicContact CB-CG2 3.56Å; D129-V132 WeakPolarHBondContact O-CB 3.22Å; D129-V132 PolarHBondContact O-N 2.93Å; V132-K135 PolarHBondContact O-N 3.34Å; V132-L136 HydrophobicContact CG1-CD1 4.23Å; V132-L136 WeakPolarHBondContact O-CG 3.43Å; V132-L136 PolarHBondContact O-N 2.97Å |
| 133 | L | 81.5 | Confident | 71.4 | Confident | 101 Ų | 101 | 119.3 Ų | 119.3 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.9 | -43.5 | 174.6 | -75.9 | 169.4 | 0 | 0 | 0 | 112 | V128 D129 I130 K135 L136 R137 | V128-L133 HydrophobicContact CG1-CD1 3.84Å; V128-L133 HydrophobicContact CG1-CG 4.44Å; D129-L133 PolarHBondContact O-N 3.35Å; D129-L133 VanDerWaalsContact O-N 3.17Å; I130-L133 PolarHBondContact O-N 3.42Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.07Å; L133-L136 PolarHBondContact O-N 3.12Å; L133-R137 WeakPolarHBondContact O-CB 3.49Å; L133-R137 PolarHBondContact O-N 2.88Å |
| 134 | E | 85 | Confident | 72 | Confident | 83 Ų | 83 | 118 Ų | 118 | 39% | 0.388 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.9 | -36.6 | 176.8 | -172.2 | 60.4 | -149.6 | 0 | 0 | 111.3 | I130 D131 R137 K138 | I130-E134 PolarHBondContact O-N 3.47Å; D131-E134 PolarHBondContact O-N 3.26Å; E134-R137 PolarHBondContact O-N 3.23Å; E134-K138 PolarHBondContact O-N 3.2Å |
| 135 | K | 86.4 | Confident | 72.8 | Confident | 136 Ų | 136 | 120 Ų | 120 | 59% | 0.591 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.2 | -42.1 | 175.9 | -154.2 | 158.1 | -173 | 171.8 | 0 | 112.1 | D131 V132 L133 R137 K138 I139 | D131-K135 VanDerWaalsContact O-CB 3.31Å; D131-K135 WeakPolarHBondContact O-CB 3.39Å; D131-K135 PolarHBondContact O-N 3.35Å; V132-K135 PolarHBondContact O-N 3.34Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.07Å; K135-R137 VanDerWaalsContact C-N 3.35Å; K135-K138 PolarHBondContact O-N 3.47Å; K135-I139 WeakPolarHBondContact O-CD1 3.43Å; K135-I139 VanDerWaalsContact O-CG1 3.26Å; K135-I139 WeakPolarHBondContact O-CG1 3.4Å; K135-I139 PolarHBondContact O-N 2.73Å |
| 136 | L | 81.9 | Confident | 73.4 | Confident | 101 Ų | 101 | 124 Ų | 124 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.3 | -38.2 | 172.7 | -75.4 | 169.2 | 0 | 0 | 0 | 112 | V132 L133 I139 S140 | V132-L136 HydrophobicContact CG1-CD1 4.23Å; V132-L136 WeakPolarHBondContact O-CG 3.43Å; V132-L136 PolarHBondContact O-N 2.97Å; L133-L136 PolarHBondContact O-N 3.12Å; L136-I139 PolarHBondContact O-N 2.75Å; L136-S140 WeakPolarHBondContact O-CB 3.32Å; L136-S140 PolarHBondContact O-N 3.27Å; L136-S140 PolarHBondContact O-OG 3.39Å |
| 137 | R | 84.4 | Confident | 74.1 | Confident | 145 Ų | 145 | 122.9 Ų | 122.9 | 55% | 0.547 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -37.9 | 174.3 | -169.2 | 176 | 170.5 | 92.7 | -3.4 | 111.8 | L133 E134 K135 S140 K141 | L133-R137 WeakPolarHBondContact O-CB 3.49Å; L133-R137 PolarHBondContact O-N 2.88Å; E134-R137 PolarHBondContact O-N 3.23Å; K135-R137 VanDerWaalsContact C-N 3.35Å; R137-S140 WeakPolarHBondContact CA-OG 3.4Å; R137-S140 PolarHBondContact O-OG 3.2Å; R137-K141 WeakPolarHBondContact O-CB 3.46Å; R137-K141 VanDerWaalsContact O-CG 3.23Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 3.33Å |
| 138 | K | 80.9 | Confident | 74.5 | Confident | 131 Ų | 131 | 123.4 Ų | 123.4 | 57% | 0.57 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.9 | -39.5 | 173.1 | -83.5 | 171.6 | 179.6 | 166.3 | 0 | 112.8 | E134 K135 R142 | E134-K138 PolarHBondContact O-N 3.2Å; K135-K138 PolarHBondContact O-N 3.47Å; K138-R142 PolarHBondContact O-N 2.77Å |
| 139 | I | 78.1 | Confident | 74.8 | Confident | 103 Ų | 103 | 127.7 Ų | 127.7 | 53% | 0.528 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.9 | -44.7 | 178 | -64.9 | 161.9 | 0 | 0 | 0 | 110.5 | K135 L136 K141 R142 A143 | K135-I139 WeakPolarHBondContact O-CD1 3.43Å; K135-I139 VanDerWaalsContact O-CG1 3.26Å; K135-I139 WeakPolarHBondContact O-CG1 3.4Å; K135-I139 PolarHBondContact O-N 2.73Å; L136-I139 PolarHBondContact O-N 2.75Å; I139-K141 PolarHBondContact O-N 3.37Å; I139-R142 CarbonylContact O-C 3.58Å; I139-R142 PolarHBondContact O-N 2.7Å; I139-R142 VanDerWaalsContact O-N 3.14Å; I139-A143 WeakPolarHBondContact O-CB 3.37Å; I139-A143 PolarHBondContact O-N 3.2Å |
| 140 | S | 73.9 | Confident | 74.6 | Confident | 66 Ų | 66 | 129 Ų | 129 | 46% | 0.462 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.6 | -37.2 | 177.3 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | L136 R137 R142 A143 A144 | L136-S140 WeakPolarHBondContact O-CB 3.32Å; L136-S140 PolarHBondContact O-N 3.27Å; L136-S140 PolarHBondContact O-OG 3.39Å; R137-S140 WeakPolarHBondContact CA-OG 3.4Å; R137-S140 PolarHBondContact O-OG 3.2Å; S140-R142 VanDerWaalsContact C-N 3.29Å; S140-R142 PolarHBondContact O-N 3.23Å; S140-A143 CarbonylContact O-C 3.49Å; S140-A143 PolarHBondContact O-N 3.31Å; S140-A143 VanDerWaalsContact O-N 3.13Å; S140-A144 PolarHBondContact O-N 3.17Å |
| 141 | K | 67.2 | Low | 74.3 | Confident | 133 Ų | 133 | 127 Ų | 127 | 58% | 0.578 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.5 | -31.3 | 172.3 | -76.5 | 175.6 | 178.5 | -177.6 | 0 | 113.3 | R137 I139 | R137-K141 WeakPolarHBondContact O-CB 3.46Å; R137-K141 VanDerWaalsContact O-CG 3.23Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 3.33Å; I139-K141 PolarHBondContact O-N 3.37Å |
| 142 | R | 62.8 | Low | 73.8 | Confident | 235 Ų | 235 | 131.5 Ų | 131.5 | 89% | 0.887 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.5 | -26.5 | 171 | -84.3 | -173.2 | 175.1 | -168.2 | -0.3 | 113.3 | K138 I139 S140 | K138-R142 PolarHBondContact O-N 2.77Å; I139-R142 CarbonylContact O-C 3.58Å; I139-R142 PolarHBondContact O-N 2.7Å; I139-R142 VanDerWaalsContact O-N 3.14Å; S140-R142 VanDerWaalsContact C-N 3.29Å; S140-R142 PolarHBondContact O-N 3.23Å |
| 143 | A | 64 | Low | 73.2 | Confident | 71 Ų | 71 | 130.2 Ų | 130.2 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -88.4 | -6.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | I139 S140 K145 | I139-A143 WeakPolarHBondContact O-CB 3.37Å; I139-A143 PolarHBondContact O-N 3.2Å; S140-A143 CarbonylContact O-C 3.49Å; S140-A143 PolarHBondContact O-N 3.31Å; S140-A143 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.33Å |
| 144 | A | 62.5 | Low | 73.1 | Confident | 67 Ų | 67 | 132.2 Ų | 132.2 | 55% | 0.554 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -57.8 | 102.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S140 R146 | S140-A144 PolarHBondContact O-N 3.17Å; A144-R146 PolarHBondContact O-N 2.84Å |
| 145 | K | 65 | Low | 73.2 | Confident | 194 Ų | 194 | 128.6 Ų | 128.6 | 84% | 0.843 | 62% | 0.62 | S | S | * | * | trans | -42.6 | 118.7 | 179.5 | -77.5 | 170.1 | 177 | 169.6 | 0 | 108.2 | A143 V147 | A143-K145 PolarHBondContact O-N 3.33Å; K145-V147 PolarHBondContact O-N 2.9Å | ||
| 146 | R | 67.6 | Low | 73.3 | Confident | 237 Ų | 237 | 125.8 Ų | 125.8 | 89% | 0.894 | 61% | 0.612 | S | S | * | * | trans | -55.2 | 103.5 | 175 | -67.1 | -179 | 75.7 | -172.3 | 4.3 | 107.1 | A144 V148 | A144-R146 PolarHBondContact O-N 2.84Å; R146-V148 PolarHBondContact O-N 3.43Å | ||
| 147 | V | 71.6 | Confident | 73.7 | Confident | 123 Ų | 123 | 121.6 Ų | 121.6 | 75% | 0.745 | 59% | 0.591 | S | S | * | * | trans | -59.8 | 113.4 | 174.6 | 177 | 0 | 0 | 0 | 0 | 106.1 | K145 K149 | K145-V147 PolarHBondContact O-N 2.9Å; V147-K149 PolarHBondContact O-N 2.88Å | ||
| 148 | V | 71.7 | Confident | 73.9 | Confident | 110 Ų | 110 | 121.5 Ų | 121.5 | 67% | 0.667 | 60% | 0.596 | S | S | * | * | trans | -69.2 | 100.3 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 106.4 | R146 N150 | R146-V148 PolarHBondContact O-N 3.43Å; V148-N150 PolarHBondContact O-N 3.45Å | ||
| 149 | K | 70.5 | Confident | 74.3 | Confident | 189 Ų | 189 | 119.5 Ų | 119.5 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -61.7 | -32 | -173.1 | -65.5 | -177.6 | 175.3 | -175.8 | 0 | 112.9 | V147 | V147-K149 PolarHBondContact O-N 2.88Š|
| 150 | N | 69.8 | Low | 75 | Confident | 141 Ų | 141 | 115 Ų | 115 | 75% | 0.754 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -129 | 89.1 | -179.3 | -63.8 | -11.7 | 0 | 0 | 0 | 109.2 | V148 R152 | V148-N150 PolarHBondContact O-N 3.45Å; N150-R152 PolarHBondContact O-N 2.94Å |
| 151 | P | 71.1 | Confident | 75.7 | Confident | 101 Ų | 101 | 114 Ų | 114 | 66% | 0.656 | 55% | 0.551 | S | S | * | * | trans | -58.2 | 136 | 174 | 24.8 | -32.3 | 0 | 0 | 0 | 109.2 | ||||
| 152 | R | 71.7 | Confident | 76.8 | Confident | 214 Ų | 214 | 109.2 Ų | 109.2 | 81% | 0.808 | 54% | 0.535 | S | S | * | . | trans | -60 | 132.4 | 174.3 | -67.6 | -175.1 | 177.4 | -143.2 | 0.1 | 107.7 | N150 K154 | N150-R152 PolarHBondContact O-N 2.94Å; R152-K154 PolarHBondContact O-N 3.28Å | ||
| 153 | P | 69.6 | Low | 77.9 | Confident | 54 Ų | 54 | 104.3 Ų | 104.3 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | trans | -60.7 | 111.4 | 175 | 24.9 | -31.7 | 0 | 0 | 0 | 107.7 | ||||
| 154 | K | 79.8 | Confident | 79.1 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | trans | -95.3 | 151.9 | 176.2 | -69.2 | 178.8 | -176.2 | 179.9 | 0 | 108.6 | R152 D156 | R152-K154 PolarHBondContact O-N 3.28Å; K154-D156 PolarHBondContact O-N 3.38Å; K154-D156 VanDerWaalsContact O-N 3.11Å | ||
| 155 | L | 87.1 | Confident | 80.5 | Confident | 7 Ų | 7 | 103.5 Ų | 103.5 | 4% | 0.037 | 50% | 0.497 | C | S | . | . | trans | -74.8 | 97 | 164.7 | -178.2 | 65.3 | 0 | 0 | 0 | 107.9 | L160 L202 V203 M206 R214 L215 V218 | L155-L160 HydrophobicContact CD1-CB 4.43Å; L155-L202 HydrophobicContact CD1-CD2 3.51Å; L155-L202 HydrophobicContact CD1-CG 4.09Å; L155-V203 HydrophobicContact CB-CG2 4.48Å; L155-V203 HydrophobicContact CD1-CG2 4.4Å; L155-M206 HydrophobicContact CB-CE 4.32Å; L155-R214 HydrophobicContact CB-CB 4.5Å; L155-R214 HydrophobicContact CD2-CB 4.02Å; L155-L215 HydrophobicContact CD2-CB 4.35Å; L155-L215 HydrophobicContact CD2-CD2 3.63Å; L155-L215 HydrophobicContact CD2-CG 3.59Å; L155-V218 HydrophobicContact CD2-CG2 4.45Å; L155-V218 HydrophobicContact CG-CG2 4.31Å; L155-V218 WeakPolarHBondContact O-CG2 3.49Å | ||
| 156 | D | 88.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 95.2 Ų | 95.2 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | trans | -99.4 | 157.3 | 175 | -66.1 | -38.2 | 0 | 0 | 0 | 110.4 | K154 Q158 R159 L160 | K154-D156 PolarHBondContact O-N 3.38Å; K154-D156 VanDerWaalsContact O-N 3.11Å; D156-Q158 VanDerWaalsContact C-N 3.27Å; D156-Q158 PolarHBondContact O-N 3.41Å; D156-R159 WeakPolarHBondContact O-CA 3.24Å; D156-R159 WeakPolarHBondContact O-CB 3.44Å; D156-R159 PolarHBondContact O-N 3.25Å; D156-L160 PolarHBondContact O-N 3.3Å; D156-L160 VanDerWaalsContact O-N 3.08Å | ||
| 157 | P | 89.3 | Confident | 82.8 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 8% | 0.084 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -53.4 | -44.5 | 178 | -27 | 35.9 | 0 | 0 | 0 | 112.9 | R159 L160 L161 V218 K221 E223 I224 | P157-R159 VanDerWaalsContact C-N 3.28Å; P157-R159 PolarHBondContact O-N 3.44Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-L160 VanDerWaalsContact O-N 3.11Å; P157-L161 WeakPolarHBondContact O-CG 3.43Å; P157-L161 PolarHBondContact O-N 3.02Å; P157-V218 HydrophobicContact CG-CG1 4.34Å; P157-K221 HydrophobicContact CG-CB 4.49Å; P157-K221 HydrophobicContact CG-CD 3.35Å; P157-E223 HydrophobicContact CB-CB 4.49Å; P157-E223 VanDerWaalsContact CB-OE2 3.3Å; P157-E223 WeakPolarHBondContact CB-OE2 3.4Å; P157-I224 HydrophobicContact CB-CD1 3.83Å; P157-I224 HydrophobicContact CB-CG1 4.1Å; P157-I224 HydrophobicContact CG-CD1 4.23Å |
| 158 | Q | 88.9 | Confident | 83.7 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59 | -38.8 | 176.3 | -172 | -179.7 | -7 | 0 | 0 | 112 | D156 L160 L161 S162 | D156-Q158 VanDerWaalsContact C-N 3.27Å; D156-Q158 PolarHBondContact O-N 3.41Å; Q158-L160 PolarHBondContact O-N 2.84Å; Q158-L161 PolarHBondContact O-N 3.13Å; Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 3.43Å |
| 159 | R | 89.8 | Confident | 84.8 | Confident | 90 Ų | 90 | 75 Ų | 75 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 177.3 | -177.8 | 56.2 | 172.5 | -109.4 | 2.7 | 112 | D156 P157 S162 L202 | D156-R159 WeakPolarHBondContact O-CA 3.24Å; D156-R159 WeakPolarHBondContact O-CB 3.44Å; D156-R159 PolarHBondContact O-N 3.25Å; P157-R159 VanDerWaalsContact C-N 3.28Å; P157-R159 PolarHBondContact O-N 3.44Å; R159-S162 WeakPolarHBondContact O-CB 3.27Å; R159-L202 HydrophobicContact CG-CD1 3.94Å; R159-L202 VanDerWaalsContact CZ-O 3.23Å; R159-L202 PolarHBondContact NE-O 2.92Å; R159-L202 PolarHBondContact NH2-O 3.38Å; R159-L202 WeakPolarHBondContact O-CD1 3.23Å |
| 160 | L | 91.8 | Very high | 85.7 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.2 | -32.2 | 176.7 | -174.9 | 59.7 | 0 | 0 | 0 | 112.6 | L155 D156 P157 Q158 G165 L166 W198 L202 L215 V218 I224 | L155-L160 HydrophobicContact CD1-CB 4.43Å; D156-L160 PolarHBondContact O-N 3.3Å; D156-L160 VanDerWaalsContact O-N 3.08Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-L160 VanDerWaalsContact O-N 3.11Å; Q158-L160 PolarHBondContact O-N 2.84Å; L160-G165 CarbonylContact O-C 3.57Å; L160-G165 WeakPolarHBondContact O-CA 3.29Å; L160-L166 HydrophobicContact CD1-CD2 4.25Å; L160-L166 HydrophobicContact CD1-CG 4.21Å; L160-L166 HydrophobicContact CG-CG 4.13Å; L160-L166 PolarHBondContact O-N 3.45Å; L160-W198 HydrophobicContact CD1-CH2 3.99Å; L160-W198 HydrophobicContact CD1-CZ2 3.73Å; L160-L202 HydrophobicContact CD1-CD2 4Å; L160-L215 HydrophobicContact CD1-CD2 3.73Å; L160-L215 HydrophobicContact CD2-CD2 3.71Å; L160-L215 HydrophobicContact CG-CD2 4.35Å; L160-V218 HydrophobicContact CD2-CG1 4.36Å; L160-I224 HydrophobicContact CD2-CD1 3.78Å; L160-I224 HydrophobicContact CD2-CG1 4.28Å; L160-I224 HydrophobicContact CD2-CG2 4.41Å |
| 161 | L | 90.3 | Very high | 86.7 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -86 | -16.1 | 178 | -62.8 | 178.6 | 0 | 0 | 0 | 113.9 | P157 Q158 L166 I224 A227 W236 | P157-L161 WeakPolarHBondContact O-CG 3.43Å; P157-L161 PolarHBondContact O-N 3.02Å; Q158-L161 PolarHBondContact O-N 3.13Å; L161-L166 HydrophobicContact CD2-CD1 3.97Å; L161-I224 HydrophobicContact CG-CG1 4.47Å; L161-A227 HydrophobicContact CD1-CB 4.13Å; L161-A227 HydrophobicContact CD2-CB 3.34Å; L161-A227 HydrophobicContact CG-CB 4.4Å; L161-W236 HydrophobicContact CD2-CH2 4.03Å; L161-W236 HydrophobicContact CD2-CZ3 4.36Å |
| 162 | S | 88.8 | Confident | 87.7 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -57.5 | 160.3 | 174 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | Q158 R159 K164 G165 P167 | Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 3.43Å; R159-S162 WeakPolarHBondContact O-CB 3.27Å; S162-K164 PolarHBondContact O-N 3.09Å; S162-G165 PolarHBondContact O-N 2.99Å; S162-P167 WeakPolarHBondContact O-CD 3.2Å |
| 163 | N | 87.1 | Confident | 88.7 | Confident | 132 Ų | 132 | 56.6 Ų | 56.6 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | -29.9 | 177.4 | -63.3 | -13 | 0 | 0 | 0 | 114.1 | A168 | N163-A168 WeakPolarHBondContact O-CB 3.46Å; N163-A168 PolarHBondContact O-N 3.25Å |
| 164 | K | 88.4 | Confident | 89.7 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.9 | 179.1 | -61.2 | -173.4 | 179.7 | -174.5 | 0 | 114.9 | S162 | S162-K164 PolarHBondContact O-N 3.09Š|
| 165 | G | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -116.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L160 S162 A168 L169 W198 | L160-G165 CarbonylContact O-C 3.57Å; L160-G165 WeakPolarHBondContact O-CA 3.29Å; S162-G165 PolarHBondContact O-N 2.99Å; G165-A168 PolarHBondContact O-N 3.38Å; G165-L169 PolarHBondContact O-N 3.04Å; G165-L169 VanDerWaalsContact O-N 3.14Å; G165-W198 PolarHBondContact O-NE1 3.3Å |
| 166 | L | 91.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | -177.7 | -67.1 | 179.1 | 0 | 0 | 0 | 114.1 | L160 L161 A168 L169 L170 L228 | L160-L166 HydrophobicContact CD1-CD2 4.25Å; L160-L166 HydrophobicContact CD1-CG 4.21Å; L160-L166 HydrophobicContact CG-CG 4.13Å; L160-L166 PolarHBondContact O-N 3.45Å; L161-L166 HydrophobicContact CD2-CD1 3.97Å; L166-A168 PolarHBondContact O-N 3.43Å; L166-L169 WeakPolarHBondContact O-CB 3.12Å; L166-L169 PolarHBondContact O-N 3.38Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 2.9Å; L166-L170 VanDerWaalsContact O-N 3.08Å; L166-L228 HydrophobicContact CD1-CD2 4.04Å |
| 167 | P | 89.1 | Confident | 90.8 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.8 | -53.1 | 175 | -28.1 | 34.1 | 0 | 0 | 0 | 113.3 | S162 L169 L170 E171 W236 | S162-P167 WeakPolarHBondContact O-CD 3.2Å; P167-L169 VanDerWaalsContact C-N 3.29Å; P167-L169 PolarHBondContact O-N 3.22Å; P167-L170 WeakPolarHBondContact O-CB 3.5Å; P167-L170 PolarHBondContact O-N 3.15Å; P167-E171 PolarHBondContact O-N 2.94Å; P167-E171 VanDerWaalsContact O-N 3.08Å; P167-W236 HydrophobicContact CG-CZ2 3.62Å |
| 168 | A | 91.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 71 Ų | 71 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.4 | -32.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N163 G165 L166 L170 E171 D172 | N163-A168 WeakPolarHBondContact O-CB 3.46Å; N163-A168 PolarHBondContact O-N 3.25Å; G165-A168 PolarHBondContact O-N 3.38Å; L166-A168 PolarHBondContact O-N 3.43Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-E171 PolarHBondContact O-N 3.32Å; A168-D172 WeakPolarHBondContact O-CB 3.38Å; A168-D172 PolarHBondContact O-N 3.31Å |
| 169 | L | 93.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.2 | -173.1 | 57.8 | 0 | 0 | 0 | 111.8 | G165 L166 P167 E171 D172 F173 Y195 W198 | G165-L169 PolarHBondContact O-N 3.04Å; G165-L169 VanDerWaalsContact O-N 3.14Å; L166-L169 WeakPolarHBondContact O-CB 3.12Å; L166-L169 PolarHBondContact O-N 3.38Å; P167-L169 VanDerWaalsContact C-N 3.29Å; P167-L169 PolarHBondContact O-N 3.22Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.45Å; L169-D172 PolarHBondContact O-N 3.28Å; L169-F173 HydrophobicContact CD1-CD2 3.83Å; L169-F173 HydrophobicContact CD1-CE2 3.3Å; L169-F173 HydrophobicContact CD1-CZ 4.13Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 HydrophobicContact CG-CD2 3.83Å; L169-F173 HydrophobicContact CG-CE2 3.6Å; L169-F173 WeakPolarHBondContact O-CD2 3.38Å; L169-F173 PolarHBondContact O-N 2.94Å; L169-Y195 HydrophobicContact CD1-CD1 4.12Å; L169-Y195 HydrophobicContact CD1-CE1 4.14Å; L169-Y195 HydrophobicContact CD2-CD1 4.47Å; L169-Y195 HydrophobicContact CD2-CE1 4Å; L169-W198 HydrophobicContact CB-CG 4.33Å; L169-W198 HydrophobicContact CD1-CB 3.95Å; L169-W198 HydrophobicContact CD1-CD2 3.93Å; L169-W198 HydrophobicContact CD1-CE3 4.45Å; L169-W198 HydrophobicContact CD1-CG 3.66Å; L169-W198 HydrophobicContact CD2-CD2 4.17Å; L169-W198 HydrophobicContact CD2-CE3 4.46Å; L169-W198 HydrophobicContact CD2-CH2 4.33Å; L169-W198 HydrophobicContact CD2-CZ2 4.04Å; L169-W198 HydrophobicContact CG-CD2 4.43Å; L169-W198 HydrophobicContact CG-CG 4.43Å |
| 170 | L | 90.6 | Very high | 91.6 | Very high | 62 Ų | 62 | 69.8 Ų | 69.8 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 177.1 | -66 | 165.1 | 0 | 0 | 0 | 111.6 | L166 P167 A168 F173 K174 L231 | L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 2.9Å; L166-L170 VanDerWaalsContact O-N 3.08Å; P167-L170 WeakPolarHBondContact O-CB 3.5Å; P167-L170 PolarHBondContact O-N 3.15Å; A168-L170 VanDerWaalsContact C-N 3.35Å; L170-F173 PolarHBondContact O-N 3.32Å; L170-K174 WeakPolarHBondContact O-CG 3.35Å; L170-K174 PolarHBondContact O-N 3.33Å; L170-K174 VanDerWaalsContact O-N 3.16Å; L170-L231 HydrophobicContact CD1-CD1 3.4Å; L170-L231 HydrophobicContact CD1-CD2 4.01Å; L170-L231 HydrophobicContact CD1-CG 4.36Å; L170-L231 HydrophobicContact CD2-CD1 4.31Å; L170-L231 HydrophobicContact CD2-CD2 4.36Å; L170-L231 HydrophobicContact CG-CD1 4.49Å |
| 171 | E | 90.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.1 | -70.7 | 179.8 | -178.3 | 0 | 0 | 112.8 | P167 A168 L169 K174 | P167-E171 PolarHBondContact O-N 2.94Å; P167-E171 VanDerWaalsContact O-N 3.08Å; A168-E171 PolarHBondContact O-N 3.32Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.45Å; E171-K174 PolarHBondContact O-N 3.16Å |
| 172 | D | 91.9 | Very high | 92 | Very high | 36 Ų | 36 | 80 Ų | 80 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.9 | -68.5 | -27.7 | 0 | 0 | 0 | 110.4 | A168 L169 K174 K175 V176 V194 R201 | A168-D172 WeakPolarHBondContact O-CB 3.38Å; A168-D172 PolarHBondContact O-N 3.31Å; L169-D172 PolarHBondContact O-N 3.28Å; D172-K174 VanDerWaalsContact C-N 3.33Å; D172-K174 PolarHBondContact O-N 3.37Å; D172-K175 WeakPolarHBondContact O-CB 3.33Å; D172-K175 PolarHBondContact O-N 2.87Å; D172-K175 VanDerWaalsContact O-N 3.1Å; D172-K175 IonicContact OD1-NZ 2.75Å; D172-V176 WeakPolarHBondContact O-CG2 3.46Å; D172-V176 PolarHBondContact O-N 3.33Å; D172-V194 HydrophobicContact CB-CG1 4.3Å; D172-R201 IonicContact OD2-CZ 2.69Å; D172-R201 IonicContact OD2-NH1 3.28Å; D172-R201 PolarHBondContact OD2-NH1 3.34Å; D172-R201 IonicContact OD2-NH2 3.93Å; D172-R201 PolarHBondContact OD2-NH2 2.87Å |
| 173 | F | 92.1 | Very high | 92.4 | Very high | 51 Ų | 51 | 83.2 Ų | 83.2 | 22% | 0.224 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.6 | -29.1 | 175.3 | -81.9 | -57.7 | 0 | 0 | 0 | 114.5 | L169 L170 K175 V176 L191 V194 Y195 | L169-F173 HydrophobicContact CD1-CD2 3.83Å; L169-F173 HydrophobicContact CD1-CE2 3.3Å; L169-F173 HydrophobicContact CD1-CZ 4.13Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 HydrophobicContact CG-CD2 3.83Å; L169-F173 HydrophobicContact CG-CE2 3.6Å; L169-F173 WeakPolarHBondContact O-CD2 3.38Å; L169-F173 PolarHBondContact O-N 2.94Å; L170-F173 PolarHBondContact O-N 3.32Å; F173-K175 PolarHBondContact O-N 3.01Å; F173-V176 HydrophobicContact CD1-CG2 4.49Å; F173-V176 PolarHBondContact O-N 2.78Å; F173-L191 HydrophobicContact CE1-CD1 3.45Å; F173-L191 VanDerWaalsContact CE1-CD1 3.45Å; F173-L191 HydrophobicContact CZ-CD1 3.83Å; F173-V194 HydrophobicContact CD1-CG1 4.45Å; F173-V194 HydrophobicContact CE1-CB 4.45Å; F173-V194 HydrophobicContact CE1-CG1 3.96Å; F173-V194 HydrophobicContact CZ-CG1 4.01Å; F173-Y195 HydrophobicContact CE1-CE2 4.38Å; F173-Y195 HydrophobicContact CE2-CD1 4.37Å; F173-Y195 AromaticContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE2 4.28Å; F173-Y195 AromaticContact CE2-CZ 3.63Å; F173-Y195 HydrophobicContact CZ-CD1 4.2Å; F173-Y195 AromaticContact CZ-CD2 3.99Å; F173-Y195 HydrophobicContact CZ-CD2 3.99Å; F173-Y195 AromaticContact CZ-CE1 3.73Å; F173-Y195 HydrophobicContact CZ-CE1 3.73Å; F173-Y195 AromaticContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CG 4.31Å; F173-Y195 AromaticContact CZ-CZ 3.34Å |
| 174 | K | 91.4 | Very high | 92.9 | Very high | 163 Ų | 163 | 83.4 Ų | 83.4 | 71% | 0.709 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -29.5 | 172.8 | -72.4 | 172.1 | -174.9 | 179.8 | 0 | 112.4 | L170 E171 D172 | L170-K174 WeakPolarHBondContact O-CG 3.35Å; L170-K174 PolarHBondContact O-N 3.33Å; L170-K174 VanDerWaalsContact O-N 3.16Å; E171-K174 PolarHBondContact O-N 3.16Å; D172-K174 VanDerWaalsContact C-N 3.33Å; D172-K174 PolarHBondContact O-N 3.37Å |
| 175 | K | 91.1 | Very high | 93.3 | Very high | 150 Ų | 150 | 85.3 Ų | 85.3 | 65% | 0.652 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -84.4 | -22 | -179.4 | -58.8 | 167.9 | -170 | 164 | 0 | 112.3 | D172 F173 K177 | D172-K175 WeakPolarHBondContact O-CB 3.33Å; D172-K175 PolarHBondContact O-N 2.87Å; D172-K175 VanDerWaalsContact O-N 3.1Å; D172-K175 IonicContact OD1-NZ 2.75Å; F173-K175 PolarHBondContact O-N 3.01Å; K175-K177 PolarHBondContact O-N 3.08Å |
| 176 | V | 93.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 90.6 Ų | 90.6 | 12% | 0.121 | 43% | 0.434 | C | S | . | . | trans | -79 | 111.9 | -176.9 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | D172 F173 F178 K190 V194 | D172-V176 WeakPolarHBondContact O-CG2 3.46Å; D172-V176 PolarHBondContact O-N 3.33Å; F173-V176 HydrophobicContact CD1-CG2 4.49Å; F173-V176 PolarHBondContact O-N 2.78Å; V176-F178 HydrophobicContact CG1-CD1 4.16Å; V176-F178 HydrophobicContact CG1-CE1 3.55Å; V176-F178 HydrophobicContact CG1-CE2 4.08Å; V176-F178 HydrophobicContact CG1-CZ 3.49Å; V176-F178 VanDerWaalsContact CG1-CZ 3.49Å; V176-K190 HydrophobicContact CG1-CD 4.15Å; V176-K190 HydrophobicContact CG1-CG 4.35Å; V176-V194 HydrophobicContact CG2-CG1 4.39Å; V176-V194 HydrophobicContact CG2-CG2 3.59Å | ||
| 177 | K | 94.1 | Very high | 93.8 | Very high | 162 Ų | 162 | 90.5 Ų | 90.5 | 70% | 0.704 | 43% | 0.433 | S | S | * | . | trans | -98.4 | 126.8 | 167.7 | -59.2 | -65.9 | -177.3 | 178.9 | 0 | 109.8 | K175 K190 | K175-K177 PolarHBondContact O-N 3.08Å; K177-K190 PolarHBondContact O-NZ 3.5Å | ||
| 178 | F | 95.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 44% | 0.443 | 45% | 0.454 | S | S | . | . | trans | -90.5 | 146.1 | 172 | -60.2 | -63.5 | 0 | 0 | 0 | 109.8 | V176 D187 L191 | V176-F178 HydrophobicContact CG1-CD1 4.16Å; V176-F178 HydrophobicContact CG1-CE1 3.55Å; V176-F178 HydrophobicContact CG1-CE2 4.08Å; V176-F178 HydrophobicContact CG1-CZ 3.49Å; V176-F178 VanDerWaalsContact CG1-CZ 3.49Å; F178-D187 HydrophobicContact CB-CB 4.46Å; F178-D187 HydrophobicContact CD1-CB 3.8Å; F178-L191 HydrophobicContact CE1-CB 4.16Å; F178-L191 HydrophobicContact CZ-CB 4.4Å; F178-L191 HydrophobicContact CZ-CD1 4.13Å | ||
| 179 | R | 95.2 | Very high | 94.5 | Very high | 173 Ų | 173 | 99 Ų | 99 | 65% | 0.653 | 48% | 0.476 | S | S | * | . | trans | -79.7 | -32.4 | 179.1 | -69.1 | 179.3 | 176.7 | -105.2 | 1.1 | 111.6 | Y183 D187 | R179-Y183 HydrophobicContact CB-CD1 4.46Å; R179-Y183 HydrophobicContact CB-CD2 3.59Å; R179-Y183 HydrophobicContact CB-CE2 4.36Å; R179-Y183 HydrophobicContact CB-CG 3.64Å; R179-Y183 VanDerWaalsContact CD-CD1 3.45Å; R179-Y183 HydrophobicContact CG-CD2 4.4Å; R179-Y183 HydrophobicContact CG-CG 4.23Å; R179-D187 PolarHBondContact N-OD1 3.48Å; R179-D187 PolarHBondContact N-OD2 3.17Å | ||
| 180 | G | 93.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 102.2 Ų | 102.2 | 34% | 0.34 | 49% | 0.489 | S | S | . | . | trans | 99.1 | -153.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G182 Y183 D187 | G180-G182 PolarHBondContact O-N 3.49Å; G180-Y183 PolarHBondContact O-N 3.34Å; G180-D187 PolarHBondContact N-OD2 3.3Å | ||
| 181 | K | 95.4 | Very high | 94.9 | Very high | 197 Ų | 197 | 101.8 Ų | 101.8 | 86% | 0.857 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 134 | -174.1 | -170.4 | 176.5 | -178.1 | -180 | 0 | 111.5 | Y183 | K181-Y183 VanDerWaalsContact C-N 3.32Š|
| 182 | G | 96 | Very high | 95.2 | Very high | 70 Ų | 70 | 100.4 Ų | 100.4 | 72% | 0.722 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | -11.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | G180 | G180-G182 PolarHBondContact O-N 3.49Š|
| 183 | Y | 96.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 105 Ų | 105 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | trans | -115.1 | 17.6 | 173.7 | -67.3 | -82.3 | 0 | 0 | 0 | 112.6 | R179 G180 K181 F185 Q186 D187 | R179-Y183 HydrophobicContact CB-CD1 4.46Å; R179-Y183 HydrophobicContact CB-CD2 3.59Å; R179-Y183 HydrophobicContact CB-CE2 4.36Å; R179-Y183 HydrophobicContact CB-CG 3.64Å; R179-Y183 VanDerWaalsContact CD-CD1 3.45Å; R179-Y183 HydrophobicContact CG-CD2 4.4Å; R179-Y183 HydrophobicContact CG-CG 4.23Å; G180-Y183 PolarHBondContact O-N 3.34Å; K181-Y183 VanDerWaalsContact C-N 3.32Å; Y183-F185 VanDerWaalsContact C-N 3.32Å; Y183-F185 PolarHBondContact O-N 2.92Å; Y183-Q186 CarbonylContact O-C 3.6Å; Y183-Q186 WeakPolarHBondContact O-CA 3.17Å; Y183-Q186 PolarHBondContact O-N 3.34Å; Y183-D187 WeakPolarHBondContact O-CB 3.45Å; Y183-D187 PolarHBondContact O-N 2.99Å | ||
| 184 | E | 97.4 | Very high | 95.5 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53.2 | -44.8 | -170.9 | -64.9 | 172.2 | -165.2 | 0 | 0 | 113.1 | Q186 D187 L188 | E184-Q186 PolarHBondContact O-N 3.47Å; E184-D187 PolarHBondContact O-N 3.34Å; E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 PolarHBondContact O-N 3.1Å |
| 185 | F | 97.4 | Very high | 95.8 | Very high | 162 Ų | 162 | 100 Ų | 100 | 71% | 0.711 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 176.8 | -177.5 | -98.3 | 0 | 0 | 0 | 112.6 | Y183 N189 | Y183-F185 VanDerWaalsContact C-N 3.32Å; Y183-F185 PolarHBondContact O-N 2.92Å; F185-N189 WeakPolarHBondContact O-CB 3.47Å; F185-N189 PolarHBondContact O-N 3.49Å |
| 186 | Q | 96.9 | Very high | 96 | Very high | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 179.1 | -63.4 | -179.9 | 17.6 | 0 | 0 | 111.3 | Y183 E184 N189 K190 | Y183-Q186 CarbonylContact O-C 3.6Å; Y183-Q186 WeakPolarHBondContact O-CA 3.17Å; Y183-Q186 PolarHBondContact O-N 3.34Å; E184-Q186 PolarHBondContact O-N 3.47Å; Q186-N189 PolarHBondContact O-N 3.3Å; Q186-K190 WeakPolarHBondContact O-CB 3.48Å; Q186-K190 PolarHBondContact O-N 3.02Å |
| 187 | D | 97.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 98.1 Ų | 98.1 | 10% | 0.096 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 176.3 | -78 | -20.6 | 0 | 0 | 0 | 111.2 | F178 R179 G180 Y183 E184 K190 L191 | F178-D187 HydrophobicContact CB-CB 4.46Å; F178-D187 HydrophobicContact CD1-CB 3.8Å; R179-D187 PolarHBondContact N-OD1 3.48Å; R179-D187 PolarHBondContact N-OD2 3.17Å; G180-D187 PolarHBondContact N-OD2 3.3Å; Y183-D187 WeakPolarHBondContact O-CB 3.45Å; Y183-D187 PolarHBondContact O-N 2.99Å; E184-D187 PolarHBondContact O-N 3.34Å; D187-K190 PolarHBondContact O-N 2.98Å; D187-L191 WeakPolarHBondContact O-CB 3.37Å; D187-L191 PolarHBondContact O-N 3.32Å |
| 188 | L | 97.4 | Very high | 96.1 | Very high | 107 Ų | 107 | 90.9 Ų | 90.9 | 56% | 0.56 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 172.4 | 179.2 | 61.1 | 0 | 0 | 0 | 111.6 | E184 K190 L191 L192 | E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 PolarHBondContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 3.13Å; L188-L191 HydrophobicContact CD1-CD2 4.49Å; L188-L191 WeakPolarHBondContact O-CB 3.27Å; L188-L191 PolarHBondContact O-N 3.08Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.94Å |
| 189 | N | 96.7 | Very high | 96 | Very high | 100 Ų | 100 | 86 Ų | 86 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 176.2 | -169.1 | 18.8 | 0 | 0 | 0 | 111 | F185 Q186 L192 F193 | F185-N189 WeakPolarHBondContact O-CB 3.47Å; F185-N189 PolarHBondContact O-N 3.49Å; Q186-N189 PolarHBondContact O-N 3.3Å; N189-L192 PolarHBondContact O-N 3.41Å; N189-F193 VanDerWaalsContact O-CB 3.29Å; N189-F193 WeakPolarHBondContact O-CB 3.47Å; N189-F193 PolarHBondContact O-N 3.07Å |
| 190 | K | 96.1 | Very high | 96 | Very high | 86 Ų | 86 | 81.5 Ų | 81.5 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.4 | -171 | 178.7 | -173 | 179 | 0 | 112.3 | V176 K177 Q186 D187 L188 V194 | V176-K190 HydrophobicContact CG1-CD 4.15Å; V176-K190 HydrophobicContact CG1-CG 4.35Å; K177-K190 PolarHBondContact O-NZ 3.5Å; Q186-K190 WeakPolarHBondContact O-CB 3.48Å; Q186-K190 PolarHBondContact O-N 3.02Å; D187-K190 PolarHBondContact O-N 2.98Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 3.13Å; K190-V194 VanDerWaalsContact O-CG2 3.23Å; K190-V194 WeakPolarHBondContact O-CG2 3.37Å; K190-V194 PolarHBondContact O-N 3.07Å; K190-V194 VanDerWaalsContact O-N 3.17Å |
| 191 | L | 96.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 84.8 Ų | 84.8 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 176.3 | 177.6 | 60.3 | 0 | 0 | 0 | 111 | F173 F178 D187 L188 V194 Y195 | F173-L191 HydrophobicContact CE1-CD1 3.45Å; F173-L191 VanDerWaalsContact CE1-CD1 3.45Å; F173-L191 HydrophobicContact CZ-CD1 3.83Å; F178-L191 HydrophobicContact CE1-CB 4.16Å; F178-L191 HydrophobicContact CZ-CB 4.4Å; F178-L191 HydrophobicContact CZ-CD1 4.13Å; D187-L191 WeakPolarHBondContact O-CB 3.37Å; D187-L191 PolarHBondContact O-N 3.32Å; L188-L191 HydrophobicContact CD1-CD2 4.49Å; L188-L191 WeakPolarHBondContact O-CB 3.27Å; L188-L191 PolarHBondContact O-N 3.08Å; L191-V194 PolarHBondContact O-N 3.04Å; L191-Y195 HydrophobicContact CD1-CD2 3.94Å; L191-Y195 HydrophobicContact CD1-CE2 3.46Å; L191-Y195 VanDerWaalsContact CD1-CE2 3.46Å; L191-Y195 HydrophobicContact CG-CD2 4.11Å; L191-Y195 HydrophobicContact CG-CE2 3.92Å; L191-Y195 VanDerWaalsContact O-CD2 3.27Å; L191-Y195 WeakPolarHBondContact O-CD2 3.35Å; L191-Y195 PolarHBondContact O-N 3.33Å |
| 192 | L | 96.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 75.4 Ų | 75.4 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | -179.8 | -173.5 | 60.5 | 0 | 0 | 0 | 111.6 | L188 N189 V194 Y195 E196 F208 | L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.94Å; N189-L192 PolarHBondContact O-N 3.41Å; L192-V194 VanDerWaalsContact C-N 3.29Å; L192-V194 PolarHBondContact O-N 2.88Å; L192-Y195 PolarHBondContact O-N 3.5Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 2.89Å; L192-F208 HydrophobicContact CD1-CD1 4.37Å; L192-F208 HydrophobicContact CD1-CE1 3.52Å; L192-F208 HydrophobicContact CD1-CZ 3.89Å |
| 193 | F | 95.9 | Very high | 95.5 | Very high | 134 Ų | 134 | 72.2 Ų | 72.2 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.6 | -41 | 176.7 | 178.1 | -99.2 | 0 | 0 | 0 | 112.5 | N189 E196 A197 | N189-F193 VanDerWaalsContact O-CB 3.29Å; N189-F193 WeakPolarHBondContact O-CB 3.47Å; N189-F193 PolarHBondContact O-N 3.07Å; F193-E196 PolarHBondContact O-N 2.95Å; F193-A197 VanDerWaalsContact O-CB 3.3Å; F193-A197 WeakPolarHBondContact O-CB 3.3Å; F193-A197 PolarHBondContact O-N 3.48Å |
| 194 | V | 95.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 72 Ų | 72 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | D172 F173 V176 K190 L191 L192 W198 | D172-V194 HydrophobicContact CB-CG1 4.3Å; F173-V194 HydrophobicContact CD1-CG1 4.45Å; F173-V194 HydrophobicContact CE1-CB 4.45Å; F173-V194 HydrophobicContact CE1-CG1 3.96Å; F173-V194 HydrophobicContact CZ-CG1 4.01Å; V176-V194 HydrophobicContact CG2-CG1 4.39Å; V176-V194 HydrophobicContact CG2-CG2 3.59Å; K190-V194 VanDerWaalsContact O-CG2 3.23Å; K190-V194 WeakPolarHBondContact O-CG2 3.37Å; K190-V194 PolarHBondContact O-N 3.07Å; K190-V194 VanDerWaalsContact O-N 3.17Å; L191-V194 PolarHBondContact O-N 3.04Å; L192-V194 VanDerWaalsContact C-N 3.29Å; L192-V194 PolarHBondContact O-N 2.88Å; V194-W198 VanDerWaalsContact O-CB 3.27Å; V194-W198 WeakPolarHBondContact O-CB 3.43Å; V194-W198 PolarHBondContact O-N 2.84Å |
| 195 | Y | 96.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 75 Ų | 75 | 35% | 0.345 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.7 | -80.9 | -64.4 | 0 | 0 | 0 | 112.6 | L169 F173 L191 L192 W198 S199 | L169-Y195 HydrophobicContact CD1-CD1 4.12Å; L169-Y195 HydrophobicContact CD1-CE1 4.14Å; L169-Y195 HydrophobicContact CD2-CD1 4.47Å; L169-Y195 HydrophobicContact CD2-CE1 4Å; F173-Y195 HydrophobicContact CE1-CE2 4.38Å; F173-Y195 HydrophobicContact CE2-CD1 4.37Å; F173-Y195 AromaticContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE2 4.28Å; F173-Y195 AromaticContact CE2-CZ 3.63Å; F173-Y195 HydrophobicContact CZ-CD1 4.2Å; F173-Y195 AromaticContact CZ-CD2 3.99Å; F173-Y195 HydrophobicContact CZ-CD2 3.99Å; F173-Y195 AromaticContact CZ-CE1 3.73Å; F173-Y195 HydrophobicContact CZ-CE1 3.73Å; F173-Y195 AromaticContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CG 4.31Å; F173-Y195 AromaticContact CZ-CZ 3.34Å; L191-Y195 HydrophobicContact CD1-CD2 3.94Å; L191-Y195 HydrophobicContact CD1-CE2 3.46Å; L191-Y195 VanDerWaalsContact CD1-CE2 3.46Å; L191-Y195 HydrophobicContact CG-CD2 4.11Å; L191-Y195 HydrophobicContact CG-CE2 3.92Å; L191-Y195 VanDerWaalsContact O-CD2 3.27Å; L191-Y195 WeakPolarHBondContact O-CD2 3.35Å; L191-Y195 PolarHBondContact O-N 3.33Å; L192-Y195 PolarHBondContact O-N 3.5Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; Y195-W198 HydrophobicContact CD1-CE3 4.41Å; Y195-W198 PolarHBondContact O-N 3.03Å; Y195-S199 WeakPolarHBondContact O-CB 3.5Å; Y195-S199 PolarHBondContact O-N 3.18Å |
| 196 | E | 95.7 | Very high | 94.4 | Very high | 82 Ų | 82 | 68 Ų | 68 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -51.1 | 177.2 | -178.7 | 171.3 | -163.1 | 0 | 0 | 110.8 | L192 F193 W198 S199 H200 F208 | L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 2.89Å; F193-E196 PolarHBondContact O-N 2.95Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 3.34Å; E196-S199 WeakPolarHBondContact O-CB 3.37Å; E196-S199 PolarHBondContact O-N 2.92Å; E196-S199 VanDerWaalsContact O-N 3.1Å; E196-S199 PolarHBondContact O-OG 3.18Å; E196-H200 PolarHBondContact O-CD2 3.3Å; E196-H200 PolarHBondContact O-N 3.04Å; E196-H200 IonicContact OE1-NE2 3.93Å; E196-F208 HydrophobicContact CB-CD2 4.3Å; E196-F208 HydrophobicContact CB-CG 4.41Å; E196-F208 HydrophobicContact CG-CB 4.29Å |
| 197 | A | 94.8 | Very high | 94.2 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F193 H200 R201 | F193-A197 VanDerWaalsContact O-CB 3.3Å; F193-A197 WeakPolarHBondContact O-CB 3.3Å; F193-A197 PolarHBondContact O-N 3.48Å; A197-H200 PolarHBondContact O-N 3.47Å; A197-R201 PolarHBondContact O-N 3.1Å; A197-R201 VanDerWaalsContact O-N 3.07Å |
| 198 | W | 95.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 4% | 0.038 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.9 | 166.5 | 81.5 | 0 | 0 | 0 | 111.9 | L160 G165 L169 V194 Y195 E196 H200 R201 L202 L215 | L160-W198 HydrophobicContact CD1-CH2 3.99Å; L160-W198 HydrophobicContact CD1-CZ2 3.73Å; G165-W198 PolarHBondContact O-NE1 3.3Å; L169-W198 HydrophobicContact CB-CG 4.33Å; L169-W198 HydrophobicContact CD1-CB 3.95Å; L169-W198 HydrophobicContact CD1-CD2 3.93Å; L169-W198 HydrophobicContact CD1-CE3 4.45Å; L169-W198 HydrophobicContact CD1-CG 3.66Å; L169-W198 HydrophobicContact CD2-CD2 4.17Å; L169-W198 HydrophobicContact CD2-CE3 4.46Å; L169-W198 HydrophobicContact CD2-CH2 4.33Å; L169-W198 HydrophobicContact CD2-CZ2 4.04Å; L169-W198 HydrophobicContact CG-CD2 4.43Å; L169-W198 HydrophobicContact CG-CG 4.43Å; V194-W198 VanDerWaalsContact O-CB 3.27Å; V194-W198 WeakPolarHBondContact O-CB 3.43Å; V194-W198 PolarHBondContact O-N 2.84Å; Y195-W198 HydrophobicContact CD1-CE3 4.41Å; Y195-W198 PolarHBondContact O-N 3.03Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 3.34Å; W198-H200 PolarHBondContact O-N 2.93Å; W198-R201 WeakPolarHBondContact O-CB 3.49Å; W198-R201 PolarHBondContact O-N 2.79Å; W198-L202 HydrophobicContact CH2-CD2 4.12Å; W198-L202 HydrophobicContact CZ2-CD2 3.85Å; W198-L202 PolarHBondContact O-N 3.21Å; W198-L215 HydrophobicContact CH2-CD1 3.78Å; W198-L215 HydrophobicContact CH2-CD2 4.15Å; W198-L215 HydrophobicContact CZ3-CD1 3.75Å |
| 199 | S | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | -179.7 | 81.3 | 0 | 0 | 0 | 0 | 112.1 | Y195 E196 L202 V203 F208 | Y195-S199 WeakPolarHBondContact O-CB 3.5Å; Y195-S199 PolarHBondContact O-N 3.18Å; E196-S199 WeakPolarHBondContact O-CB 3.37Å; E196-S199 PolarHBondContact O-N 2.92Å; E196-S199 VanDerWaalsContact O-N 3.1Å; E196-S199 PolarHBondContact O-OG 3.18Å; S199-L202 WeakPolarHBondContact O-CB 3.24Å; S199-L202 PolarHBondContact O-N 3.02Å; S199-L202 VanDerWaalsContact O-N 3.16Å; S199-V203 PolarHBondContact O-N 3.37Å; S199-F208 WeakPolarHBondContact OG-CD2 3.48Å |
| 200 | H | 93.2 | Very high | 93.8 | Very high | 77 Ų | 77 | 64.5 Ų | 64.5 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 176.5 | -78 | -66.6 | 0 | 0 | 0 | 111.7 | E196 A197 W198 L202 V203 P204 | E196-H200 PolarHBondContact O-CD2 3.3Å; E196-H200 PolarHBondContact O-N 3.04Å; E196-H200 IonicContact OE1-NE2 3.93Å; A197-H200 PolarHBondContact O-N 3.47Å; W198-H200 PolarHBondContact O-N 2.93Å; H200-L202 VanDerWaalsContact C-N 3.33Å; H200-V203 CarbonylContact O-C 3.57Å; H200-P204 VanDerWaalsContact O-CA 3.24Å; H200-P204 WeakPolarHBondContact O-CA 3.49Å; H200-P204 WeakPolarHBondContact O-CD 3.31Å; H200-P204 VanDerWaalsContact O-CG 3.23Å; H200-P204 WeakPolarHBondContact O-CG 3.38Å; H200-P204 VanDerWaalsContact O-N 3.17Å |
| 201 | R | 92.1 | Very high | 93.7 | Very high | 103 Ų | 103 | 60.4 Ų | 60.4 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 171.6 | -175.3 | 173.4 | 65 | -165.3 | -13.2 | 111.7 | D172 A197 W198 | D172-R201 IonicContact OD2-CZ 2.69Å; D172-R201 IonicContact OD2-NH1 3.28Å; D172-R201 PolarHBondContact OD2-NH1 3.34Å; D172-R201 IonicContact OD2-NH2 3.93Å; D172-R201 PolarHBondContact OD2-NH2 2.87Å; A197-R201 PolarHBondContact O-N 3.1Å; A197-R201 VanDerWaalsContact O-N 3.07Å; W198-R201 WeakPolarHBondContact O-CB 3.49Å; W198-R201 PolarHBondContact O-N 2.79Å |
| 202 | L | 91.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -51.4 | -179.5 | -169.3 | 61.8 | 0 | 0 | 0 | 111.3 | L155 R159 L160 W198 S199 H200 | L155-L202 HydrophobicContact CD1-CD2 3.51Å; L155-L202 HydrophobicContact CD1-CG 4.09Å; R159-L202 HydrophobicContact CG-CD1 3.94Å; R159-L202 VanDerWaalsContact CZ-O 3.23Å; R159-L202 PolarHBondContact NE-O 2.92Å; R159-L202 PolarHBondContact NH2-O 3.38Å; R159-L202 WeakPolarHBondContact O-CD1 3.23Å; L160-L202 HydrophobicContact CD1-CD2 4Å; W198-L202 HydrophobicContact CH2-CD2 4.12Å; W198-L202 HydrophobicContact CZ2-CD2 3.85Å; W198-L202 PolarHBondContact O-N 3.21Å; S199-L202 WeakPolarHBondContact O-CB 3.24Å; S199-L202 PolarHBondContact O-N 3.02Å; S199-L202 VanDerWaalsContact O-N 3.16Å; H200-L202 VanDerWaalsContact C-N 3.33Å |
| 203 | V | 91 | Very high | 93.5 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | trans | -140.8 | 90.9 | 178.7 | -165 | 0 | 0 | 0 | 0 | 111.1 | L155 S199 H200 R205 M206 | L155-V203 HydrophobicContact CB-CG2 4.48Å; L155-V203 HydrophobicContact CD1-CG2 4.4Å; S199-V203 PolarHBondContact O-N 3.37Å; H200-V203 CarbonylContact O-C 3.57Å; V203-R205 PolarHBondContact O-N 3.2Å; V203-M206 HydrophobicContact CB-CB 4.47Å; V203-M206 HydrophobicContact CB-CE 3.7Å; V203-M206 HydrophobicContact CB-CG 4.38Å; V203-M206 HydrophobicContact CB-SD 4.11Å; V203-M206 HydrophobicContact CG1-CB 4.27Å; V203-M206 HydrophobicContact CG1-CE 3.74Å; V203-M206 HydrophobicContact CG1-CG 3.7Å; V203-M206 HydrophobicContact CG1-SD 3.44Å; V203-M206 WeakPolarHBondContact CG1-SD 3.33Å; V203-M206 HydrophobicContact CG2-CE 3.78Å; V203-M206 HydrophobicContact CG2-SD 4.49Å; V203-M206 PolarHBondContact O-N 2.97Å | ||
| 204 | P | 89.9 | Confident | 93.4 | Very high | 95 Ų | 95 | 58.1 Ų | 58.1 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.1 | -173.9 | -23.3 | 29.9 | 0 | 0 | 0 | 116 | H200 | H200-P204 VanDerWaalsContact O-CA 3.24Å; H200-P204 WeakPolarHBondContact O-CA 3.49Å; H200-P204 WeakPolarHBondContact O-CD 3.31Å; H200-P204 VanDerWaalsContact O-CG 3.23Å; H200-P204 WeakPolarHBondContact O-CG 3.38Å; H200-P204 VanDerWaalsContact O-N 3.17Å |
| 205 | R | 88.6 | Confident | 93.3 | Very high | 199 Ų | 199 | 58.7 Ų | 58.7 | 75% | 0.751 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.3 | -174.4 | -64.6 | -168.8 | 176.7 | -178.7 | -0.3 | 114 | V203 | V203-R205 PolarHBondContact O-N 3.2Š|
| 206 | M | 90.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -114.4 | 144.2 | -171.9 | -64.3 | 177.8 | -5.9 | 0 | 0 | 108.4 | L155 V203 V211 R214 | L155-M206 HydrophobicContact CB-CE 4.32Å; V203-M206 HydrophobicContact CB-CB 4.47Å; V203-M206 HydrophobicContact CB-CE 3.7Å; V203-M206 HydrophobicContact CB-CG 4.38Å; V203-M206 HydrophobicContact CB-SD 4.11Å; V203-M206 HydrophobicContact CG1-CB 4.27Å; V203-M206 HydrophobicContact CG1-CE 3.74Å; V203-M206 HydrophobicContact CG1-CG 3.7Å; V203-M206 HydrophobicContact CG1-SD 3.44Å; V203-M206 WeakPolarHBondContact CG1-SD 3.33Å; V203-M206 HydrophobicContact CG2-CE 3.78Å; V203-M206 HydrophobicContact CG2-SD 4.49Å; V203-M206 PolarHBondContact O-N 2.97Å; M206-V211 HydrophobicContact CB-CG2 3.69Å; M206-V211 HydrophobicContact CE-CB 4.34Å; M206-V211 HydrophobicContact CE-CG2 3.65Å; M206-R214 VanDerWaalsContact CB-NH2 3.27Å; M206-R214 VanDerWaalsContact CE-CZ 3.49Å; M206-R214 VanDerWaalsContact CE-NH2 3.28Å; M206-R214 PolarHBondContact SD-NE 3.14Å; M206-R214 PolarHBondContact SD-NH2 3.26Å |
| 207 | S | 93.2 | Very high | 93 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | trans | -75 | 154.3 | 171.3 | 63.4 | 0 | 0 | 0 | 0 | 109.8 | E210 V211 | S207-E210 PolarHBondContact O-N 3.27Å; S207-E210 VanDerWaalsContact O-N 3.07Å; S207-E210 WeakPolarHBondContact OG-CB 3.42Å; S207-V211 WeakPolarHBondContact O-CG2 3.27Å; S207-V211 PolarHBondContact O-N 3.17Å | ||
| 208 | F | 94.2 | Very high | 92.9 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -47.6 | -52.1 | 178.2 | 179.8 | -114.4 | 0 | 0 | 0 | 113.9 | L192 E196 S199 E210 V211 I212 | L192-F208 HydrophobicContact CD1-CD1 4.37Å; L192-F208 HydrophobicContact CD1-CE1 3.52Å; L192-F208 HydrophobicContact CD1-CZ 3.89Å; E196-F208 HydrophobicContact CB-CD2 4.3Å; E196-F208 HydrophobicContact CB-CG 4.41Å; E196-F208 HydrophobicContact CG-CB 4.29Å; S199-F208 WeakPolarHBondContact OG-CD2 3.48Å; F208-E210 VanDerWaalsContact C-N 3.32Å; F208-E210 PolarHBondContact O-N 3.1Å; F208-V211 WeakPolarHBondContact O-CA 3.36Å; F208-V211 WeakPolarHBondContact O-CB 3.43Å; F208-V211 PolarHBondContact O-N 3.38Å; F208-I212 HydrophobicContact CD2-CD1 4.43Å; F208-I212 HydrophobicContact CD2-CG1 4.49Å; F208-I212 HydrophobicContact CE1-CD1 4.49Å; F208-I212 HydrophobicContact CE1-CG1 4.18Å; F208-I212 HydrophobicContact CE2-CD1 3.74Å; F208-I212 HydrophobicContact CE2-CG1 4.12Å; F208-I212 HydrophobicContact CZ-CD1 3.78Å; F208-I212 HydrophobicContact CZ-CG1 3.96Å; F208-I212 WeakPolarHBondContact O-CG1 3.32Å; F208-I212 PolarHBondContact O-N 3.44Å; F208-I212 VanDerWaalsContact O-N 3.08Å |
| 209 | P | 95.1 | Very high | 92.7 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 51% | 0.506 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 178.6 | 22.9 | -34 | 0 | 0 | 0 | 112.9 | V211 I212 D213 | P209-V211 PolarHBondContact O-N 3.28Å; P209-I212 WeakPolarHBondContact O-CB 3.11Å; P209-I212 PolarHBondContact O-N 3.08Å; P209-I212 VanDerWaalsContact O-N 3.07Å; P209-D213 PolarHBondContact O-N 3.12Å |
| 210 | E | 94 | Very high | 92.7 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69 | -22.8 | 178.1 | -148.7 | -156.9 | 159.6 | 0 | 0 | 112.1 | S207 F208 R214 | S207-E210 PolarHBondContact O-N 3.27Å; S207-E210 VanDerWaalsContact O-N 3.07Å; S207-E210 WeakPolarHBondContact OG-CB 3.42Å; F208-E210 VanDerWaalsContact C-N 3.32Å; F208-E210 PolarHBondContact O-N 3.1Å; E210-R214 VanDerWaalsContact CB-NH2 3.3Å; E210-R214 VanDerWaalsContact CD-CZ 3.43Å; E210-R214 VanDerWaalsContact O-CZ 3.24Å; E210-R214 PolarHBondContact O-NE 3.44Å; E210-R214 PolarHBondContact O-NH2 3.32Å; E210-R214 IonicContact OE1-CZ 3.49Å; E210-R214 VanDerWaalsContact OE1-CZ 3.22Å; E210-R214 IonicContact OE1-NH1 2.88Å; E210-R214 PolarHBondContact OE1-NH1 3.38Å; E210-R214 IonicContact OE1-NH2 3.46Å; E210-R214 PolarHBondContact OE1-NH2 3.49Å; E210-R214 IonicContact OE2-CZ 3.85Å; E210-R214 IonicContact OE2-NH1 2.93Å; E210-R214 IonicContact OE2-NH2 2.71Å; E210-R214 PolarHBondContact OE2-NH2 2.91Å |
| 211 | V | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.3 | -42.8 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 110 | M206 S207 F208 P209 R214 L215 | M206-V211 HydrophobicContact CB-CG2 3.69Å; M206-V211 HydrophobicContact CE-CB 4.34Å; M206-V211 HydrophobicContact CE-CG2 3.65Å; S207-V211 WeakPolarHBondContact O-CG2 3.27Å; S207-V211 PolarHBondContact O-N 3.17Å; F208-V211 WeakPolarHBondContact O-CA 3.36Å; F208-V211 WeakPolarHBondContact O-CB 3.43Å; F208-V211 PolarHBondContact O-N 3.38Å; P209-V211 PolarHBondContact O-N 3.28Å; V211-R214 PolarHBondContact O-N 2.9Å; V211-L215 HydrophobicContact CG1-CD1 3.8Å; V211-L215 HydrophobicContact CG1-CG 4.19Å; V211-L215 WeakPolarHBondContact O-CB 3.16Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.71Å |
| 212 | I | 94.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 69.5 Ų | 69.5 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 178.1 | -59.5 | -51.8 | 0 | 0 | 0 | 111.2 | F208 P209 R214 L215 E216 | F208-I212 HydrophobicContact CD2-CD1 4.43Å; F208-I212 HydrophobicContact CD2-CG1 4.49Å; F208-I212 HydrophobicContact CE1-CD1 4.49Å; F208-I212 HydrophobicContact CE1-CG1 4.18Å; F208-I212 HydrophobicContact CE2-CD1 3.74Å; F208-I212 HydrophobicContact CE2-CG1 4.12Å; F208-I212 HydrophobicContact CZ-CD1 3.78Å; F208-I212 HydrophobicContact CZ-CG1 3.96Å; F208-I212 WeakPolarHBondContact O-CG1 3.32Å; F208-I212 PolarHBondContact O-N 3.44Å; F208-I212 VanDerWaalsContact O-N 3.08Å; P209-I212 WeakPolarHBondContact O-CB 3.11Å; P209-I212 PolarHBondContact O-N 3.08Å; P209-I212 VanDerWaalsContact O-N 3.07Å; I212-R214 PolarHBondContact O-N 2.75Å; I212-R214 VanDerWaalsContact O-N 3.13Å; I212-L215 HydrophobicContact CD1-CD1 4.07Å; I212-L215 WeakPolarHBondContact O-CA 3.33Å; I212-L215 WeakPolarHBondContact O-CB 3.2Å; I212-L215 PolarHBondContact O-N 3.46Å; I212-E216 PolarHBondContact O-N 2.84Å |
| 213 | D | 94.4 | Very high | 92.7 | Very high | 93 Ų | 93 | 75.4 Ų | 75.4 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56 | -36.2 | 178.2 | -63.1 | -20.2 | 0 | 0 | 0 | 112.2 | P209 N217 | P209-D213 PolarHBondContact O-N 3.12Å; D213-N217 PolarHBondContact O-ND2 2.74Å |
| 214 | R | 92.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 25% | 0.253 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.6 | -34.5 | 176.1 | -80.9 | -178.9 | -77.1 | -122.8 | 1.8 | 112.7 | L155 M206 E210 V211 I212 E216 N217 V218 | L155-R214 HydrophobicContact CB-CB 4.5Å; L155-R214 HydrophobicContact CD2-CB 4.02Å; M206-R214 VanDerWaalsContact CB-NH2 3.27Å; M206-R214 VanDerWaalsContact CE-CZ 3.49Å; M206-R214 VanDerWaalsContact CE-NH2 3.28Å; M206-R214 PolarHBondContact SD-NE 3.14Å; M206-R214 PolarHBondContact SD-NH2 3.26Å; E210-R214 VanDerWaalsContact CB-NH2 3.3Å; E210-R214 VanDerWaalsContact CD-CZ 3.43Å; E210-R214 VanDerWaalsContact O-CZ 3.24Å; E210-R214 PolarHBondContact O-NE 3.44Å; E210-R214 PolarHBondContact O-NH2 3.32Å; E210-R214 IonicContact OE1-CZ 3.49Å; E210-R214 VanDerWaalsContact OE1-CZ 3.22Å; E210-R214 IonicContact OE1-NH1 2.88Å; E210-R214 PolarHBondContact OE1-NH1 3.38Å; E210-R214 IonicContact OE1-NH2 3.46Å; E210-R214 PolarHBondContact OE1-NH2 3.49Å; E210-R214 IonicContact OE2-CZ 3.85Å; E210-R214 IonicContact OE2-NH1 2.93Å; E210-R214 IonicContact OE2-NH2 2.71Å; E210-R214 PolarHBondContact OE2-NH2 2.91Å; V211-R214 PolarHBondContact O-N 2.9Å; I212-R214 PolarHBondContact O-N 2.75Å; I212-R214 VanDerWaalsContact O-N 3.13Å; R214-E216 VanDerWaalsContact C-N 3.3Å; R214-N217 PolarHBondContact O-N 2.92Å; R214-V218 VanDerWaalsContact O-CB 3.3Å; R214-V218 WeakPolarHBondContact O-CB 3.35Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.45Å |
| 215 | L | 93.9 | Very high | 92.9 | Very high | 31 Ų | 31 | 78 Ų | 78 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.3 | -80.6 | 166.1 | 0 | 0 | 0 | 111.2 | L155 L160 W198 V211 I212 N217 V218 G219 | L155-L215 HydrophobicContact CD2-CB 4.35Å; L155-L215 HydrophobicContact CD2-CD2 3.63Å; L155-L215 HydrophobicContact CD2-CG 3.59Å; L160-L215 HydrophobicContact CD1-CD2 3.73Å; L160-L215 HydrophobicContact CD2-CD2 3.71Å; L160-L215 HydrophobicContact CG-CD2 4.35Å; W198-L215 HydrophobicContact CH2-CD1 3.78Å; W198-L215 HydrophobicContact CH2-CD2 4.15Å; W198-L215 HydrophobicContact CZ3-CD1 3.75Å; V211-L215 HydrophobicContact CG1-CD1 3.8Å; V211-L215 HydrophobicContact CG1-CG 4.19Å; V211-L215 WeakPolarHBondContact O-CB 3.16Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.71Å; I212-L215 HydrophobicContact CD1-CD1 4.07Å; I212-L215 WeakPolarHBondContact O-CA 3.33Å; I212-L215 WeakPolarHBondContact O-CB 3.2Å; I212-L215 PolarHBondContact O-N 3.46Å; L215-N217 PolarHBondContact O-N 3.22Å; L215-V218 PolarHBondContact O-N 2.91Å; L215-G219 WeakPolarHBondContact O-CA 3.49Å; L215-G219 PolarHBondContact O-N 3.36Å |
| 216 | E | 93.7 | Very high | 93.1 | Very high | 134 Ų | 134 | 71.5 Ų | 71.5 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.8 | -48.1 | 174.7 | -68.5 | -176.5 | 173.4 | 0 | 0 | 111.3 | I212 R214 V218 S220 | I212-E216 PolarHBondContact O-N 2.84Å; R214-E216 VanDerWaalsContact C-N 3.3Å; E216-V218 PolarHBondContact O-N 2.94Å; E216-S220 PolarHBondContact O-N 3.28Å |
| 217 | N | 92.1 | Very high | 93.1 | Very high | 110 Ų | 110 | 71 Ų | 71 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 177.4 | -70.8 | -29.8 | 0 | 0 | 0 | 112.4 | D213 R214 L215 S220 | D213-N217 PolarHBondContact O-ND2 2.74Å; R214-N217 PolarHBondContact O-N 2.92Å; L215-N217 PolarHBondContact O-N 3.22Å; N217-S220 PolarHBondContact O-OG 3.34Å |
| 218 | V | 92.8 | Very high | 93 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.7 | -35.9 | -176.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | L155 P157 L160 R214 L215 E216 S220 K221 I224 | L155-V218 HydrophobicContact CD2-CG2 4.45Å; L155-V218 HydrophobicContact CG-CG2 4.31Å; L155-V218 WeakPolarHBondContact O-CG2 3.49Å; P157-V218 HydrophobicContact CG-CG1 4.34Å; L160-V218 HydrophobicContact CD2-CG1 4.36Å; R214-V218 VanDerWaalsContact O-CB 3.3Å; R214-V218 WeakPolarHBondContact O-CB 3.35Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.45Å; L215-V218 PolarHBondContact O-N 2.91Å; E216-V218 PolarHBondContact O-N 2.94Å; V218-S220 VanDerWaalsContact C-N 3.26Å; V218-S220 PolarHBondContact O-N 2.9Å; V218-K221 VanDerWaalsContact O-CB 3.27Å; V218-K221 WeakPolarHBondContact O-CB 3.47Å; V218-K221 WeakPolarHBondContact O-CG 3.49Å; V218-K221 PolarHBondContact O-N 3.29Å; V218-K221 VanDerWaalsContact O-N 3.12Å; V218-I224 HydrophobicContact CB-CD1 4.31Å; V218-I224 HydrophobicContact CG1-CD1 3.17Å; V218-I224 WeakPolarHBondContact O-CD1 3.44Å |
| 219 | G | 91.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 75.4 Ų | 75.4 | 24% | 0.237 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -25.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L215 K221 | L215-G219 WeakPolarHBondContact O-CA 3.49Å; L215-G219 PolarHBondContact O-N 3.36Å; G219-K221 PolarHBondContact O-N 3.44Å |
| 220 | S | 92.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.7 | 174.2 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | E216 N217 V218 R225 | E216-S220 PolarHBondContact O-N 3.28Å; N217-S220 PolarHBondContact O-OG 3.34Å; V218-S220 VanDerWaalsContact C-N 3.26Å; V218-S220 PolarHBondContact O-N 2.9Å; S220-R225 PolarHBondContact O-NE 3.1Å |
| 221 | K | 94 | Very high | 92.4 | Very high | 85 Ų | 85 | 75.5 Ų | 75.5 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -67.5 | 144.7 | -176.3 | -65 | 172.3 | 175.4 | 178.5 | 0 | 111.4 | P157 V218 G219 E223 I224 R225 | P157-K221 HydrophobicContact CG-CB 4.49Å; P157-K221 HydrophobicContact CG-CD 3.35Å; V218-K221 VanDerWaalsContact O-CB 3.27Å; V218-K221 WeakPolarHBondContact O-CB 3.47Å; V218-K221 WeakPolarHBondContact O-CG 3.49Å; V218-K221 PolarHBondContact O-N 3.29Å; V218-K221 VanDerWaalsContact O-N 3.12Å; G219-K221 PolarHBondContact O-N 3.44Å; K221-E223 VanDerWaalsContact C-N 3.34Å; K221-E223 PolarHBondContact O-N 2.97Å; K221-I224 PolarHBondContact O-N 3.01Å; K221-R225 PolarHBondContact O-N 3.46Å; K221-R225 VanDerWaalsContact O-N 3.1Å |
| 222 | R | 92.8 | Very high | 92.2 | Very high | 197 Ų | 197 | 86.1 Ų | 86.1 | 74% | 0.743 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.8 | -42.8 | -174.3 | -179 | 174.3 | 178.5 | 150.1 | -0.4 | 113 | I224 R225 V226 | R222-I224 VanDerWaalsContact C-N 3.32Å; R222-I224 PolarHBondContact O-N 2.98Å; R222-R225 PolarHBondContact O-N 2.68Å; R222-V226 HydrophobicContact CG-CG2 4.24Å; R222-V226 WeakPolarHBondContact O-CG2 3.3Å; R222-V226 PolarHBondContact O-N 3.17Å |
| 223 | E | 91.3 | Very high | 92 | Very high | 124 Ų | 124 | 87.4 Ų | 87.4 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56.7 | -44.8 | -179.2 | -66.6 | 163 | -157 | 0 | 0 | 112.1 | P157 K221 A227 | P157-E223 HydrophobicContact CB-CB 4.49Å; P157-E223 VanDerWaalsContact CB-OE2 3.3Å; P157-E223 WeakPolarHBondContact CB-OE2 3.4Å; K221-E223 VanDerWaalsContact C-N 3.34Å; K221-E223 PolarHBondContact O-N 2.97Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.34Å |
| 224 | I | 93 | Very high | 91.5 | Very high | 2 Ų | 2 | 86.1 Ų | 86.1 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.1 | -40.3 | 178.9 | -70 | 159.9 | 0 | 0 | 0 | 111.2 | P157 L160 L161 V218 K221 R222 V226 A227 L228 | P157-I224 HydrophobicContact CB-CD1 3.83Å; P157-I224 HydrophobicContact CB-CG1 4.1Å; P157-I224 HydrophobicContact CG-CD1 4.23Å; L160-I224 HydrophobicContact CD2-CD1 3.78Å; L160-I224 HydrophobicContact CD2-CG1 4.28Å; L160-I224 HydrophobicContact CD2-CG2 4.41Å; L161-I224 HydrophobicContact CG-CG1 4.47Å; V218-I224 HydrophobicContact CB-CD1 4.31Å; V218-I224 HydrophobicContact CG1-CD1 3.17Å; V218-I224 WeakPolarHBondContact O-CD1 3.44Å; K221-I224 PolarHBondContact O-N 3.01Å; R222-I224 VanDerWaalsContact C-N 3.32Å; R222-I224 PolarHBondContact O-N 2.98Å; I224-V226 VanDerWaalsContact C-N 3.29Å; I224-V226 PolarHBondContact O-N 3.07Å; I224-A227 PolarHBondContact O-N 2.87Å; I224-L228 HydrophobicContact CG2-CD1 3.76Å; I224-L228 HydrophobicContact CG2-CG 4.01Å; I224-L228 WeakPolarHBondContact O-CB 3.35Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.01Å |
| 225 | R | 93.1 | Very high | 90.8 | Very high | 152 Ų | 152 | 88.3 Ų | 88.3 | 57% | 0.574 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 174.4 | -73 | -168.4 | -75.6 | 150.6 | -3.8 | 112.1 | S220 K221 R222 H229 | S220-R225 PolarHBondContact O-NE 3.1Å; K221-R225 PolarHBondContact O-N 3.46Å; K221-R225 VanDerWaalsContact O-N 3.1Å; R222-R225 PolarHBondContact O-N 2.68Å; R225-H229 WeakPolarHBondContact O-CB 3.47Å; R225-H229 PolarHBondContact O-N 2.85Å |
| 226 | V | 92.2 | Very high | 89.8 | Confident | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | R222 I224 H229 R230 | R222-V226 HydrophobicContact CG-CG2 4.24Å; R222-V226 WeakPolarHBondContact O-CG2 3.3Å; R222-V226 PolarHBondContact O-N 3.17Å; I224-V226 VanDerWaalsContact C-N 3.29Å; I224-V226 PolarHBondContact O-N 3.07Å; V226-H229 PolarHBondContact O-N 3.06Å; V226-R230 WeakPolarHBondContact O-CG 3.49Å; V226-R230 PolarHBondContact O-N 2.88Å |
| 227 | A | 90 | Very high | 88.4 | Confident | 6 Ų | 6 | 86.4 Ų | 86.4 | 5% | 0.05 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L161 E223 I224 R230 L231 W236 | L161-A227 HydrophobicContact CD1-CB 4.13Å; L161-A227 HydrophobicContact CD2-CB 3.34Å; L161-A227 HydrophobicContact CG-CB 4.4Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.34Å; I224-A227 PolarHBondContact O-N 2.87Å; A227-R230 PolarHBondContact O-N 3.42Å; A227-L231 WeakPolarHBondContact O-CB 3.49Å; A227-L231 PolarHBondContact O-N 3Å; A227-W236 HydrophobicContact CB-CZ3 3.88Å |
| 228 | L | 91.6 | Very high | 86.6 | Confident | 77 Ų | 77 | 83 Ų | 83 | 40% | 0.403 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 176 | -72.8 | 174.7 | 0 | 0 | 0 | 111.9 | L166 I224 L231 R232 | L166-L228 HydrophobicContact CD1-CD2 4.04Å; I224-L228 HydrophobicContact CG2-CD1 3.76Å; I224-L228 HydrophobicContact CG2-CG 4.01Å; I224-L228 WeakPolarHBondContact O-CB 3.35Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.01Å; L228-L231 HydrophobicContact CD2-CD2 4.36Å; L228-L231 PolarHBondContact O-N 2.69Å; L228-R232 WeakPolarHBondContact O-CB 3.45Å; L228-R232 PolarHBondContact O-N 3.19Å |
| 229 | H | 91.9 | Very high | 84.6 | Confident | 117 Ų | 117 | 91.9 Ų | 91.9 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 173.9 | -177.4 | 69.8 | 0 | 0 | 0 | 111.4 | R225 V226 L231 R232 N233 | R225-H229 WeakPolarHBondContact O-CB 3.47Å; R225-H229 PolarHBondContact O-N 2.85Å; V226-H229 PolarHBondContact O-N 3.06Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.23Å; H229-R232 PolarHBondContact O-N 2.93Å; H229-N233 PolarHBondContact CD2-ND2 3.31Å; H229-N233 PolarHBondContact CE1-ND2 2.89Å; H229-N233 VanDerWaalsContact CE1-ND2 3.3Å; H229-N233 PolarHBondContact NE2-ND2 3.31Å; H229-N233 WeakPolarHBondContact O-CB 3.37Å; H229-N233 PolarHBondContact O-N 3.39Å; H229-N233 PolarHBondContact O-ND2 3.33Å; H229-N233 PolarHBondContact O-OD1 2.97Å |
| 230 | R | 90.2 | Very high | 82.3 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 43% | 0.434 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.8 | -70.9 | 176.7 | -179 | -164.5 | -0.7 | 111.9 | V226 A227 N233 G234 I235 | V226-R230 WeakPolarHBondContact O-CG 3.49Å; V226-R230 PolarHBondContact O-N 2.88Å; A227-R230 PolarHBondContact O-N 3.42Å; R230-N233 CarbonylContact O-C 3.57Å; R230-N233 PolarHBondContact O-N 2.94Å; R230-G234 PolarHBondContact O-N 3.29Å; R230-I235 HydrophobicContact CB-CB 4.43Å; R230-I235 PolarHBondContact O-N 3.08Å |
| 231 | L | 88.1 | Confident | 79.5 | Confident | 45 Ų | 45 | 96.1 Ų | 96.1 | 24% | 0.236 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 176.9 | 176.6 | 61 | 0 | 0 | 0 | 112.1 | L170 A227 L228 H229 N233 G234 W236 | L170-L231 HydrophobicContact CD1-CD1 3.4Å; L170-L231 HydrophobicContact CD1-CD2 4.01Å; L170-L231 HydrophobicContact CD1-CG 4.36Å; L170-L231 HydrophobicContact CD2-CD1 4.31Å; L170-L231 HydrophobicContact CD2-CD2 4.36Å; L170-L231 HydrophobicContact CG-CD1 4.49Å; A227-L231 WeakPolarHBondContact O-CB 3.49Å; A227-L231 PolarHBondContact O-N 3Å; L228-L231 HydrophobicContact CD2-CD2 4.36Å; L228-L231 PolarHBondContact O-N 2.69Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.23Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 2.76Å; L231-G234 PolarHBondContact O-N 2.94Å; L231-G234 VanDerWaalsContact O-N 3.15Å; L231-W236 HydrophobicContact CB-CB 4.25Å; L231-W236 HydrophobicContact CB-CD2 4.36Å; L231-W236 HydrophobicContact CB-CE3 4.09Å; L231-W236 HydrophobicContact CB-CG 4.41Å; L231-W236 HydrophobicContact CD1-CB 3.65Å; L231-W236 HydrophobicContact CD1-CD2 4.14Å; L231-W236 HydrophobicContact CD1-CG 3.59Å |
| 232 | R | 89.4 | Confident | 77.1 | Confident | 223 Ų | 223 | 98.9 Ų | 98.9 | 84% | 0.842 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -31.9 | 177.4 | -174.2 | 173.2 | -179 | 152.8 | 0.4 | 112.7 | L228 H229 G234 | L228-R232 WeakPolarHBondContact O-CB 3.45Å; L228-R232 PolarHBondContact O-N 3.19Å; H229-R232 PolarHBondContact O-N 2.93Å; R232-G234 VanDerWaalsContact C-N 3.29Å |
| 233 | N | 90.1 | Very high | 74.6 | Confident | 86 Ų | 86 | 97 Ų | 97 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.2 | 177.9 | -59.8 | -8.5 | 0 | 0 | 0 | 113.3 | H229 R230 L231 I235 | H229-N233 PolarHBondContact CD2-ND2 3.31Å; H229-N233 PolarHBondContact CE1-ND2 2.89Å; H229-N233 VanDerWaalsContact CE1-ND2 3.3Å; H229-N233 PolarHBondContact NE2-ND2 3.31Å; H229-N233 WeakPolarHBondContact O-CB 3.37Å; H229-N233 PolarHBondContact O-N 3.39Å; H229-N233 PolarHBondContact O-ND2 3.33Å; H229-N233 PolarHBondContact O-OD1 2.97Å; R230-N233 CarbonylContact O-C 3.57Å; R230-N233 PolarHBondContact O-N 2.94Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 2.76Å; N233-I235 VanDerWaalsContact C-N 3.29Å; N233-I235 HydrophobicContact CB-CD1 4.13Å; N233-I235 HydrophobicContact CB-CG1 4.11Å; N233-I235 PolarHBondContact O-N 2.89Å |
| 234 | G | 83.4 | Confident | 72.1 | Confident | 65 Ų | 65 | 99 Ų | 99 | 67% | 0.67 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 10.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R230 L231 R232 W236 | R230-G234 PolarHBondContact O-N 3.29Å; L231-G234 PolarHBondContact O-N 2.94Å; L231-G234 VanDerWaalsContact O-N 3.15Å; R232-G234 VanDerWaalsContact C-N 3.29Å; G234-W236 PolarHBondContact O-N 3.11Å |
| 235 | I | 79.4 | Confident | 69.5 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | trans | -93.2 | 35.4 | -178.1 | -41.5 | 174.5 | 0 | 0 | 0 | 110.5 | R230 N233 | R230-I235 HydrophobicContact CB-CB 4.43Å; R230-I235 PolarHBondContact O-N 3.08Å; N233-I235 VanDerWaalsContact C-N 3.29Å; N233-I235 HydrophobicContact CB-CD1 4.13Å; N233-I235 HydrophobicContact CB-CG1 4.11Å; N233-I235 PolarHBondContact O-N 2.89Å | ||
| 236 | W | 72 | Confident | 67.3 | Low | 45 Ų | 45 | 102.6 Ų | 102.6 | 17% | 0.17 | 53% | 0.529 | C | S | . | . | trans | -117.2 | 142.4 | -177.1 | -176.1 | -81.9 | 0 | 0 | 0 | 110.3 | L161 P167 A227 L231 G234 P238 | L161-W236 HydrophobicContact CD2-CH2 4.03Å; L161-W236 HydrophobicContact CD2-CZ3 4.36Å; P167-W236 HydrophobicContact CG-CZ2 3.62Å; A227-W236 HydrophobicContact CB-CZ3 3.88Å; L231-W236 HydrophobicContact CB-CB 4.25Å; L231-W236 HydrophobicContact CB-CD2 4.36Å; L231-W236 HydrophobicContact CB-CE3 4.09Å; L231-W236 HydrophobicContact CB-CG 4.41Å; L231-W236 HydrophobicContact CD1-CB 3.65Å; L231-W236 HydrophobicContact CD1-CD2 4.14Å; L231-W236 HydrophobicContact CD1-CG 3.59Å; G234-W236 PolarHBondContact O-N 3.11Å; W236-P238 HydrophobicContact CD2-CG 4.46Å; W236-P238 HydrophobicContact CE3-CG 3.84Å; W236-P238 HydrophobicContact CH2-CG 3.5Å; W236-P238 HydrophobicContact CZ2-CG 4.21Å; W236-P238 HydrophobicContact CZ3-CG 3.3Å | ||
| 237 | P | 64.6 | Low | 64.9 | Low | 80 Ų | 80 | 104.6 Ų | 104.6 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | cis | -81.2 | 144.9 | 7.1 | 30.4 | -32.7 | 0 | 0 | 0 | 114.3 | Y239 | P237-Y239 HydrophobicContact CG-CD2 4.49Å; P237-Y239 PolarHBondContact O-N 3.5Å | ||
| 238 | P | 55.5 | Low | 62.5 | Low | 39 Ų | 39 | 109.3 Ų | 109.3 | 25% | 0.253 | 58% | 0.576 | S | S | . | * | trans | -68.3 | 94 | 162.5 | 30.6 | -31.9 | 0 | 0 | 0 | 104.8 | W236 T240 | W236-P238 HydrophobicContact CD2-CG 4.46Å; W236-P238 HydrophobicContact CE3-CG 3.84Å; W236-P238 HydrophobicContact CH2-CG 3.5Å; W236-P238 HydrophobicContact CZ2-CG 4.21Å; W236-P238 HydrophobicContact CZ3-CG 3.3Å; P238-T240 PolarHBondContact O-N 3.38Å | ||
| 239 | Y | 51.1 | Low | 60.1 | Low | 195 Ų | 195 | 112.6 Ų | 112.6 | 77% | 0.765 | 59% | 0.594 | S | S | * | * | trans | -63.1 | 87.2 | 166.5 | -128 | -84.4 | 0 | 0 | 0 | 106.7 | P237 S241 | P237-Y239 HydrophobicContact CG-CD2 4.49Å; P237-Y239 PolarHBondContact O-N 3.5Å; Y239-S241 VanDerWaalsContact CD1-OG 3.25Å; Y239-S241 WeakPolarHBondContact CD1-OG 3.5Å | ||
| 240 | T | 42.7 | Very low | 58 | Low | 114 Ų | 114 | 113.4 Ų | 113.4 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | trans | -91.1 | 93.2 | 147.8 | 49.7 | 0 | 0 | 0 | 0 | 103.9 | P238 E242 | P238-T240 PolarHBondContact O-N 3.38Å; T240-E242 PolarHBondContact O-N 2.83Å | ||
| 241 | S | 33.2 | Very low | 55.7 | Low | 77 Ų | 77 | 116.1 Ų | 116.1 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | trans | -49.2 | 103.2 | 170.4 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | Y239 E243 | Y239-S241 VanDerWaalsContact CD1-OG 3.25Å; Y239-S241 WeakPolarHBondContact CD1-OG 3.5Å; S241-E243 PolarHBondContact O-N 2.93Å | ||
| 242 | E | 44.5 | Very low | 53.4 | Low | 142 Ų | 142 | 119.4 Ų | 119.4 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | trans | -75.1 | 52.6 | 151.2 | -55.6 | 179.4 | -153.7 | 0 | 0 | 107.3 | T240 Q244 | T240-E242 PolarHBondContact O-N 2.83Å; E242-Q244 PolarHBondContact O-N 3.11Å | ||
| 243 | E | 40 | Very low | 51 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | -74.9 | 86.3 | 160.3 | -174.2 | 167.6 | -170.5 | 0 | 0 | 105.2 | S241 T245 | S241-E243 PolarHBondContact O-N 2.93Å; E243-T245 VanDerWaalsContact C-N 3.31Å; E243-T245 PolarHBondContact O-N 3.22Å | ||
| 244 | Q | 37.3 | Very low | 48.9 | Very low | 165 Ų | 165 | 114.9 Ų | 114.9 | 77% | 0.771 | 66% | 0.663 | S | S | * | * | trans | 24.8 | 70.1 | 131 | -145.7 | 173.4 | 99.8 | 0 | 0 | 113.6 | E242 V246 | E242-Q244 PolarHBondContact O-N 3.11Å; Q244-V246 HydrophobicContact CG-CG2 3.94Å; Q244-V246 PolarHBondContact O-N 2.72Å | ||
| 245 | T | 38.7 | Very low | 47.6 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 83% | 0.828 | 67% | 0.669 | S | S | * | * | trans | -69.9 | 80.1 | 158.3 | 55.2 | 0 | 0 | 0 | 0 | 106.1 | E243 P247 | E243-T245 VanDerWaalsContact C-N 3.31Å; E243-T245 PolarHBondContact O-N 3.22Å; T245-P247 WeakPolarHBondContact O-CD 3.38Å | ||
| 246 | V | 47.9 | Very low | 46.4 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 58% | 0.576 | 69% | 0.688 | S | S | * | * | trans | -55.4 | 122.3 | 153.1 | -168 | 0 | 0 | 0 | 0 | 104.1 | Q244 S248 | Q244-V246 HydrophobicContact CG-CG2 3.94Å; Q244-V246 PolarHBondContact O-N 2.72Å; V246-S248 PolarHBondContact O-N 3.16Å | ||
| 247 | P | 42 | Very low | 46 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | trans | -63.3 | 90.7 | 166.7 | -12.7 | 27.7 | 0 | 0 | 0 | 105.7 | T245 D249 | T245-P247 WeakPolarHBondContact O-CD 3.38Å; P247-D249 PolarHBondContact O-N 3.25Å | ||
| 248 | S | 38.3 | Very low | 46.7 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | -75.4 | 89.2 | 165.4 | -168.7 | 0 | 0 | 0 | 0 | 104.4 | V246 N250 | V246-S248 PolarHBondContact O-N 3.16Å; S248-N250 PolarHBondContact O-N 2.98Å | ||
| 249 | D | 42.7 | Very low | 47.6 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -61.5 | 87 | 164.6 | -66.5 | -33 | 0 | 0 | 0 | 107.1 | P247 | P247-D249 PolarHBondContact O-N 3.25Š| ||
| 250 | N | 46.1 | Very low | 48.9 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | -165.6 | 107.1 | 156.6 | -106.3 | -2.9 | 0 | 0 | 0 | 111.2 | S248 | S248-N250 PolarHBondContact O-N 2.98Š| ||
| 251 | E | 42.8 | Very low | 50.7 | Low | 173 Ų | 173 | 123.4 Ų | 123.4 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | trans | 58.7 | 99.2 | 143.5 | -49.7 | -155.6 | 164.8 | 0 | 0 | 119.4 | ||||
| 252 | S | 40.5 | Very low | 53 | Low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | 170.1 | 127.1 | 105.1 | -75.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 253 | A | 38.2 | Very low | 54.5 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 89% | 0.893 | 68% | 0.684 | S | S | * | * | trans | -61 | 129.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 254 | S | 46.5 | Very low | 56.5 | Low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | -154.5 | 99.7 | 153.5 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 255 | E | 54.7 | Low | 58.7 | Low | 170 Ų | 170 | 122.4 Ų | 122.4 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | 45.7 | 97.3 | 140.7 | -60.8 | 175.6 | 178.8 | 0 | 0 | 118.4 | E257 | E255-E257 VanDerWaalsContact C-N 3.29Å; E255-E257 PolarHBondContact O-N 2.94Å | ||
| 256 | Q | 55.2 | Low | 60.7 | Low | 209 Ų | 209 | 118.2 Ų | 118.2 | 98% | 0.977 | 64% | 0.643 | S | S | * | * | trans | -60.8 | 95.2 | 148.4 | -86.2 | -179.1 | -92.8 | 0 | 0 | 108.2 | D258 | Q256-D258 PolarHBondContact O-N 2.93Š| ||
| 257 | E | 63.7 | Low | 62.2 | Low | 86 Ų | 86 | 120.1 Ų | 120.1 | 40% | 0.402 | 65% | 0.649 | S | S | . | * | trans | -63.2 | 127.3 | 166.2 | -78.9 | -170.3 | 148.6 | 0 | 0 | 109.3 | E255 V262 R265 | E255-E257 VanDerWaalsContact C-N 3.29Å; E255-E257 PolarHBondContact O-N 2.94Å; E257-V262 HydrophobicContact CB-CG2 4.17Å; E257-R265 VanDerWaalsContact CD-NH1 3.33Å; E257-R265 IonicContact OE1-CZ 3.83Å; E257-R265 VanDerWaalsContact OE1-CZ 3.28Å; E257-R265 IonicContact OE1-NH1 3.01Å; E257-R265 PolarHBondContact OE1-NH1 2.88Å; E257-R265 IonicContact OE1-NH2 3.22Å; E257-R265 PolarHBondContact OE1-NH2 2.92Å; E257-R265 IonicContact OE2-CZ 3.73Å; E257-R265 IonicContact OE2-NH1 2.87Å; E257-R265 PolarHBondContact OE2-NH1 3.03Å | ||
| 258 | D | 78.3 | Confident | 63.9 | Low | 82 Ų | 82 | 122.7 Ų | 122.7 | 44% | 0.439 | 65% | 0.652 | S | S | . | * | trans | -57.1 | 129 | 174.4 | -178.9 | -14.8 | 0 | 0 | 0 | 109.7 | Q256 E260 V261 V262 | Q256-D258 PolarHBondContact O-N 2.93Å; D258-E260 PolarHBondContact O-N 3.27Å; D258-E260 PolarHBondContact OD1-N 3.18Å; D258-V261 HydrophobicContact CB-CB 4.44Å; D258-V261 HydrophobicContact CB-CG2 3.97Å; D258-V261 WeakPolarHBondContact O-CA 3.44Å; D258-V261 WeakPolarHBondContact O-CB 3.33Å; D258-V261 PolarHBondContact O-N 2.99Å; D258-V262 PolarHBondContact O-N 2.9Å | ||
| 259 | P | 75.6 | Confident | 65.8 | Low | 86 Ų | 86 | 121.9 Ų | 121.9 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -51.7 | -32.1 | 177.6 | 21 | -34 | 0 | 0 | 0 | 113 | V261 V262 W263 | P259-V261 VanDerWaalsContact C-N 3.31Å; P259-V261 PolarHBondContact O-N 2.95Å; P259-V262 PolarHBondContact O-N 3.2Å; P259-W263 PolarHBondContact O-N 3.28Å |
| 260 | E | 77 | Confident | 67.3 | Low | 130 Ų | 130 | 118.9 Ų | 118.9 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.7 | -32.8 | 175 | -75.8 | -165.5 | 173.6 | 0 | 0 | 113.3 | D258 K264 | D258-E260 PolarHBondContact O-N 3.27Å; D258-E260 PolarHBondContact OD1-N 3.18Å; E260-K264 WeakPolarHBondContact O-CB 3.23Å; E260-K264 WeakPolarHBondContact O-CG 3.24Å; E260-K264 PolarHBondContact O-N 3.44Å |
| 261 | V | 81 | Confident | 68.3 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 40% | 0.4 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.6 | -38.5 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | D258 P259 K264 R265 | D258-V261 HydrophobicContact CB-CB 4.44Å; D258-V261 HydrophobicContact CB-CG2 3.97Å; D258-V261 WeakPolarHBondContact O-CA 3.44Å; D258-V261 WeakPolarHBondContact O-CB 3.33Å; D258-V261 PolarHBondContact O-N 2.99Å; P259-V261 VanDerWaalsContact C-N 3.31Å; P259-V261 PolarHBondContact O-N 2.95Å; V261-K264 PolarHBondContact O-N 3.02Å; V261-R265 WeakPolarHBondContact O-CB 3.42Å; V261-R265 PolarHBondContact O-N 3.46Å |
| 262 | V | 81.4 | Confident | 69.2 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 42% | 0.418 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.1 | -44.6 | 174.1 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | E257 D258 P259 R265 A266 | E257-V262 HydrophobicContact CB-CG2 4.17Å; D258-V262 PolarHBondContact O-N 2.9Å; P259-V262 PolarHBondContact O-N 3.2Å; V262-R265 PolarHBondContact O-N 3.32Å; V262-A266 WeakPolarHBondContact O-CB 3.45Å; V262-A266 PolarHBondContact O-N 3.42Å |
| 263 | W | 76.6 | Confident | 69.9 | Low | 186 Ų | 186 | 117.6 Ų | 117.6 | 71% | 0.705 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.9 | -36.3 | 176.3 | -72.7 | 113.9 | 0 | 0 | 0 | 112.8 | P259 A266 L267 | P259-W263 PolarHBondContact O-N 3.28Å; W263-A266 PolarHBondContact O-N 2.94Å; W263-L267 PolarHBondContact O-N 3.08Å |
| 264 | K | 82.7 | Confident | 70.7 | Confident | 129 Ų | 129 | 117.5 Ų | 117.5 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -47.6 | 172.8 | -80.3 | 179.2 | 179.1 | 176.2 | 0 | 111.8 | E260 V261 A266 L267 E268 | E260-K264 WeakPolarHBondContact O-CB 3.23Å; E260-K264 WeakPolarHBondContact O-CG 3.24Å; E260-K264 PolarHBondContact O-N 3.44Å; V261-K264 PolarHBondContact O-N 3.02Å; K264-A266 PolarHBondContact O-N 3.03Å; K264-L267 PolarHBondContact O-N 2.96Å; K264-E268 WeakPolarHBondContact O-CB 3.25Å; K264-E268 PolarHBondContact O-N 3.48Å |
| 265 | R | 82.3 | Confident | 71.1 | Confident | 138 Ų | 138 | 118.6 Ų | 118.6 | 52% | 0.521 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.5 | -37 | 175.4 | -172.8 | -177.1 | -72.1 | 147.1 | -0.7 | 111.8 | E257 V261 V262 E268 S269 | E257-R265 VanDerWaalsContact CD-NH1 3.33Å; E257-R265 IonicContact OE1-CZ 3.83Å; E257-R265 VanDerWaalsContact OE1-CZ 3.28Å; E257-R265 IonicContact OE1-NH1 3.01Å; E257-R265 PolarHBondContact OE1-NH1 2.88Å; E257-R265 IonicContact OE1-NH2 3.22Å; E257-R265 PolarHBondContact OE1-NH2 2.92Å; E257-R265 IonicContact OE2-CZ 3.73Å; E257-R265 IonicContact OE2-NH1 2.87Å; E257-R265 PolarHBondContact OE2-NH1 3.03Å; V261-R265 WeakPolarHBondContact O-CB 3.42Å; V261-R265 PolarHBondContact O-N 3.46Å; V262-R265 PolarHBondContact O-N 3.32Å; R265-E268 PolarHBondContact O-N 3.2Å; R265-S269 WeakPolarHBondContact O-CB 3.48Å; R265-S269 PolarHBondContact O-N 3.1Å; R265-S269 PolarHBondContact O-OG 3.42Å |
| 266 | A | 81.9 | Confident | 70.8 | Confident | 48 Ų | 48 | 117.6 Ų | 117.6 | 40% | 0.397 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71 | -30.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V262 W263 K264 S269 | V262-A266 WeakPolarHBondContact O-CB 3.45Å; V262-A266 PolarHBondContact O-N 3.42Å; W263-A266 PolarHBondContact O-N 2.94Å; K264-A266 PolarHBondContact O-N 3.03Å; A266-S269 PolarHBondContact O-OG 3.5Å |
| 267 | L | 79.6 | Confident | 70 | Confident | 134 Ų | 134 | 112.8 Ų | 112.8 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.4 | -34.1 | 173.3 | -85.4 | 157.9 | 0 | 0 | 0 | 112.1 | W263 K264 | W263-L267 PolarHBondContact O-N 3.08Å; K264-L267 PolarHBondContact O-N 2.96Å |
| 268 | E | 77.6 | Confident | 68.6 | Low | 159 Ų | 159 | 115.1 Ų | 115.1 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -82.4 | -20.2 | -178.1 | -140.6 | 145.6 | -151.7 | 0 | 0 | 112.5 | K264 R265 V270 | K264-E268 WeakPolarHBondContact O-CB 3.25Å; K264-E268 PolarHBondContact O-N 3.48Å; R265-E268 PolarHBondContact O-N 3.2Å; E268-V270 VanDerWaalsContact C-N 3.28Å |
| 269 | S | 77 | Confident | 67.2 | Low | 88 Ų | 88 | 120 Ų | 120 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -2.2 | 172.1 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | R265 A266 P271 | R265-S269 WeakPolarHBondContact O-CB 3.48Å; R265-S269 PolarHBondContact O-N 3.1Å; R265-S269 PolarHBondContact O-OG 3.42Å; A266-S269 PolarHBondContact O-OG 3.5Å; S269-P271 WeakPolarHBondContact O-CD 3.5Å |
| 270 | V | 74 | Confident | 65.5 | Low | 81 Ų | 81 | 119.9 Ų | 119.9 | 49% | 0.491 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -75.1 | 120 | 171.3 | -175.8 | 0 | 0 | 0 | 0 | 108 | E268 E272 | E268-V270 VanDerWaalsContact C-N 3.28Å; V270-E272 PolarHBondContact O-N 3.03Å; V270-E272 VanDerWaalsContact O-N 3.1Å |
| 271 | P | 68.6 | Low | 64.1 | Low | 85 Ų | 85 | 119.7 Ų | 119.7 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | trans | -57.6 | 119.5 | -178.2 | 18.3 | -27.9 | 0 | 0 | 0 | 111.1 | S269 D273 T274 | S269-P271 WeakPolarHBondContact O-CD 3.5Å; P271-D273 PolarHBondContact O-N 3.42Å; P271-T274 PolarHBondContact O-N 3.02Å; P271-T274 PolarHBondContact O-OG1 3.23Å | ||
| 272 | E | 60.3 | Low | 62.7 | Low | 147 Ų | 147 | 120 Ų | 120 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -60.1 | -10.6 | -178.2 | -69.4 | -179.7 | 145.3 | 0 | 0 | 113.3 | V270 T274 I275 | V270-E272 PolarHBondContact O-N 3.03Å; V270-E272 VanDerWaalsContact O-N 3.1Å; E272-T274 PolarHBondContact O-N 3.24Å; E272-I275 WeakPolarHBondContact O-CG1 3.33Å |
| 273 | D | 55.8 | Low | 61.6 | Low | 161 Ų | 161 | 120 Ų | 120 | 86% | 0.861 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -75.1 | -3 | 179 | -59 | -22 | 0 | 0 | 0 | 113.6 | P271 | P271-D273 PolarHBondContact O-N 3.42Š|
| 274 | T | 55.4 | Low | 60.6 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 66% | 0.656 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -99.5 | -9.1 | 179.9 | -10.8 | 0 | 0 | 0 | 0 | 114.5 | P271 E272 | P271-T274 PolarHBondContact O-N 3.02Å; P271-T274 PolarHBondContact O-OG1 3.23Å; E272-T274 PolarHBondContact O-N 3.24Å |
| 275 | I | 55.2 | Low | 59.4 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -98.3 | -2.7 | -171.4 | 45.6 | 169.7 | 0 | 0 | 0 | 115.2 | E272 | E272-I275 WeakPolarHBondContact O-CG1 3.33Š|
| 276 | N | 47.7 | Very low | 58.6 | Low | 149 Ų | 149 | 112.9 Ų | 112.9 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -118.5 | 52 | 178.1 | -63.2 | -26.3 | 0 | 0 | 0 | 112.2 | ||
| 277 | S | 39 | Very low | 57.9 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -137.6 | 96.1 | 161.3 | -148.2 | 0 | 0 | 0 | 0 | 110.3 | K279 | S277-K279 PolarHBondContact O-N 3.23Š| ||
| 278 | T | 34.8 | Very low | 56.9 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 82% | 0.822 | 64% | 0.641 | S | S | * | * | trans | -49.4 | 113.6 | 172.4 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 279 | K | 47.7 | Very low | 56.1 | Low | 186 Ų | 186 | 116.1 Ų | 116.1 | 81% | 0.809 | 64% | 0.635 | S | S | * | * | trans | -160.8 | 93.8 | 150.9 | -105.7 | 160.5 | -168.6 | -177.9 | 0 | 109.3 | S277 | S277-K279 PolarHBondContact O-N 3.23Š| ||
| 280 | S | 40.2 | Very low | 55.4 | Low | 82 Ų | 82 | 118.8 Ų | 118.8 | 57% | 0.573 | 64% | 0.636 | S | S | * | * | trans | 50.5 | 120.9 | 153 | -53.8 | 0 | 0 | 0 | 0 | 118.2 | S282 T283 | S280-S282 PolarHBondContact O-N 3.06Å; S280-T283 PolarHBondContact O-N 3.38Å | ||
| 281 | P | 48.1 | Very low | 54.7 | Low | 127 Ų | 127 | 121.3 Ų | 121.3 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 4.2 | 177.5 | 26.1 | -31.7 | 0 | 0 | 0 | 114.8 | ||
| 282 | S | 51.5 | Low | 53.9 | Low | 71 Ų | 71 | 126.6 Ų | 126.6 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.3 | -26.5 | 173 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | S280 L284 D286 | S280-S282 PolarHBondContact O-N 3.06Å; S282-L284 PolarHBondContact O-N 3.06Å; S282-D286 PolarHBondContact O-N 2.97Å |
| 283 | T | 58.6 | Low | 53.6 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 44% | 0.436 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.7 | -27.7 | -171.9 | -43.7 | 0 | 0 | 0 | 0 | 113.3 | S280 D286 I287 | S280-T283 PolarHBondContact O-N 3.38Å; T283-D286 WeakPolarHBondContact O-CB 3.49Å; T283-D286 PolarHBondContact O-N 3.12Å; T283-I287 HydrophobicContact CG2-CD1 4.47Å; T283-I287 WeakPolarHBondContact O-CG1 3.11Å; T283-I287 PolarHBondContact O-N 2.96Å |
| 284 | L | 55.1 | Low | 53.4 | Low | 109 Ų | 109 | 124 Ų | 124 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -37.4 | -179.1 | -129.4 | 173.7 | 0 | 0 | 0 | 111.9 | S282 D286 I287 Y288 | S282-L284 PolarHBondContact O-N 3.06Å; L284-D286 VanDerWaalsContact C-N 3.27Å; L284-D286 PolarHBondContact O-N 3.13Å; L284-I287 PolarHBondContact O-N 2.66Å; L284-Y288 HydrophobicContact CD2-CD2 3.64Å; L284-Y288 HydrophobicContact CD2-CE2 3.61Å; L284-Y288 WeakPolarHBondContact O-CD2 3.36Å; L284-Y288 PolarHBondContact O-N 3.38Å |
| 285 | N | 56.9 | Low | 53.1 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 61% | 0.61 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.4 | -31.2 | 171.5 | -83.8 | -24.5 | 0 | 0 | 0 | 112.1 | R289 | N285-R289 WeakPolarHBondContact O-CB 3.41Å; N285-R289 PolarHBondContact O-N 3.3Å |
| 286 | D | 65.4 | Low | 52.8 | Low | 80 Ų | 80 | 127.8 Ų | 127.8 | 43% | 0.428 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -72.7 | -33.6 | 174.8 | -72.6 | -25 | 0 | 0 | 0 | 112.4 | S282 T283 L284 K290 | S282-D286 PolarHBondContact O-N 2.97Å; T283-D286 WeakPolarHBondContact O-CB 3.49Å; T283-D286 PolarHBondContact O-N 3.12Å; L284-D286 VanDerWaalsContact C-N 3.27Å; L284-D286 PolarHBondContact O-N 3.13Å; D286-K290 WeakPolarHBondContact O-CB 3.32Å; D286-K290 VanDerWaalsContact O-CG 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.45Å; D286-K290 PolarHBondContact O-N 3.02Å |
| 287 | I | 66.5 | Low | 52.5 | Low | 90 Ų | 90 | 128.4 Ų | 128.4 | 46% | 0.462 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.8 | -49.7 | 172.7 | -66.3 | 165.2 | 0 | 0 | 0 | 109.6 | T283 L284 R289 K290 E291 | T283-I287 HydrophobicContact CG2-CD1 4.47Å; T283-I287 WeakPolarHBondContact O-CG1 3.11Å; T283-I287 PolarHBondContact O-N 2.96Å; L284-I287 PolarHBondContact O-N 2.66Å; I287-R289 VanDerWaalsContact C-N 3.33Å; I287-R289 PolarHBondContact O-N 3.13Å; I287-K290 PolarHBondContact O-N 3.11Å; I287-E291 PolarHBondContact O-N 3.33Å |
| 288 | Y | 58.7 | Low | 52.6 | Low | 152 Ų | 152 | 129.8 Ų | 129.8 | 60% | 0.596 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.7 | -37.3 | 176.9 | -91.1 | -76.6 | 0 | 0 | 0 | 113 | L284 W292 | L284-Y288 HydrophobicContact CD2-CD2 3.64Å; L284-Y288 HydrophobicContact CD2-CE2 3.61Å; L284-Y288 WeakPolarHBondContact O-CD2 3.36Å; L284-Y288 PolarHBondContact O-N 3.38Å; Y288-W292 PolarHBondContact O-N 2.92Å |
| 289 | R | 60.8 | Low | 53.1 | Low | 166 Ų | 166 | 131.8 Ų | 131.8 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.3 | -35.8 | 177.4 | -167.8 | -177.4 | -68.8 | -167.6 | -1 | 112.2 | N285 I287 N293 | N285-R289 WeakPolarHBondContact O-CB 3.41Å; N285-R289 PolarHBondContact O-N 3.3Å; I287-R289 VanDerWaalsContact C-N 3.33Å; I287-R289 PolarHBondContact O-N 3.13Å; R289-N293 WeakPolarHBondContact O-CB 3.23Å; R289-N293 VanDerWaalsContact O-CG 3.28Å; R289-N293 PolarHBondContact O-N 3.4Å; R289-N293 PolarHBondContact O-ND2 3.5Å |
| 290 | K | 64.1 | Low | 52.6 | Low | 145 Ų | 145 | 129.7 Ų | 129.7 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.8 | -39.9 | 175.9 | -83 | 177.6 | 174.6 | 176 | 0 | 112.4 | D286 I287 W292 N293 H294 | D286-K290 WeakPolarHBondContact O-CB 3.32Å; D286-K290 VanDerWaalsContact O-CG 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.45Å; D286-K290 PolarHBondContact O-N 3.02Å; I287-K290 PolarHBondContact O-N 3.11Å; K290-W292 VanDerWaalsContact C-N 3.32Å; K290-W292 PolarHBondContact O-N 3Å; K290-N293 PolarHBondContact O-N 3.24Å; K290-H294 WeakPolarHBondContact O-CB 3.31Å; K290-H294 PolarHBondContact O-CD2 2.88Å; K290-H294 PolarHBondContact O-N 3.44Å |
| 291 | E | 58.1 | Low | 52.5 | Low | 133 Ų | 133 | 133.9 Ų | 133.9 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.2 | -35.3 | 176.4 | -76.4 | -162.7 | 157.3 | 0 | 0 | 112.6 | I287 | I287-E291 PolarHBondContact O-N 3.33Å |
| 292 | W | 51.7 | Low | 52.1 | Low | 196 Ų | 196 | 135.9 Ų | 135.9 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.3 | -34.6 | 174.8 | -100.9 | 61.4 | 0 | 0 | 0 | 113.3 | Y288 K290 | Y288-W292 PolarHBondContact O-N 2.92Å; K290-W292 VanDerWaalsContact C-N 3.32Å; K290-W292 PolarHBondContact O-N 3Å |
| 293 | N | 53.7 | Low | 51.5 | Low | 97 Ų | 97 | 135.9 Ų | 135.9 | 52% | 0.519 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -77.1 | -30 | 178.4 | -73.7 | -18.4 | 0 | 0 | 0 | 112.8 | R289 K290 K295 N296 | R289-N293 WeakPolarHBondContact O-CB 3.23Å; R289-N293 VanDerWaalsContact O-CG 3.28Å; R289-N293 PolarHBondContact O-N 3.4Å; R289-N293 PolarHBondContact O-ND2 3.5Å; K290-N293 PolarHBondContact O-N 3.24Å; N293-K295 PolarHBondContact O-N 3Å; N293-N296 PolarHBondContact O-N 2.89Å; N293-N296 VanDerWaalsContact O-N 3.12Å |
| 294 | H | 52 | Low | 50.5 | Low | 156 Ų | 156 | 138.3 Ų | 138.3 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69 | -15.7 | 179.3 | -99.3 | -70.2 | 0 | 0 | 0 | 114.8 | K290 N296 | K290-H294 WeakPolarHBondContact O-CB 3.31Å; K290-H294 PolarHBondContact O-CD2 2.88Å; K290-H294 PolarHBondContact O-N 3.44Å; H294-N296 VanDerWaalsContact C-N 3.35Å |
| 295 | K | 49.6 | Very low | 49.8 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 81% | 0.809 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -6.9 | 172.9 | -91.6 | 175.4 | 176.8 | 166.8 | 0 | 114.3 | N293 | N293-K295 PolarHBondContact O-N 3Š|
| 296 | N | 47.8 | Very low | 48.7 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -112.2 | 10.5 | -172.2 | -63.7 | -15.1 | 0 | 0 | 0 | 113.8 | N293 H294 | N293-N296 PolarHBondContact O-N 2.89Å; N293-N296 VanDerWaalsContact O-N 3.12Å; H294-N296 VanDerWaalsContact C-N 3.35Å |
| 297 | E | 41.2 | Very low | 47.9 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -138.3 | 64.6 | -175 | -149.8 | 170.5 | -159.3 | 0 | 0 | 112 | ||||
| 298 | T | 42.6 | Very low | 46.8 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -125.2 | 110.6 | 153.6 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 299 | K | 44.5 | Very low | 45.8 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -44.5 | 131.7 | 178 | -69.1 | 160.6 | 178.6 | 170.6 | 0 | 113.2 | ||||
| 300 | D | 38.3 | Very low | 45.1 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | 48.7 | 102.7 | 125.4 | -38.7 | -26.3 | 0 | 0 | 0 | 116.2 | |||||
| 301 | L | 37.9 | Very low | 43.9 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | 167.4 | 89.3 | 136.6 | -86.9 | 169.9 | 0 | 0 | 0 | 106.6 | ||||
| 302 | N | 39.4 | Very low | 43.5 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -158.6 | 121.9 | 155.7 | -110.2 | -0.1 | 0 | 0 | 0 | 111.4 | ||||
| 303 | G | 38.7 | Very low | 43.4 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 145.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 304 | S | 38.4 | Very low | 43.3 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 125.4 | -176.3 | -61.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 305 | F | 39.8 | Very low | 42.9 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 118.1 | 146.1 | -82.8 | -87.6 | 0 | 0 | 0 | 108 | ||
| 306 | N | 34.4 | Very low | 43.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | -101.1 | 107.1 | 172.4 | -171.8 | 10.1 | 0 | 0 | 0 | 108.9 | ||||
| 307 | I | 48.2 | Very low | 43.4 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -130.4 | 106.4 | 157.5 | -61.3 | 179.5 | 0 | 0 | 0 | 105.3 | S309 | I307-S309 PolarHBondContact O-N 3.44Å; I307-S309 VanDerWaalsContact O-N 3.16Å | ||
| 308 | Q | 42.1 | Very low | 44.2 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -64 | 110.6 | 178.2 | -69.4 | 172.1 | 4.5 | 0 | 0 | 109.7 | ||||
| 309 | S | 39.2 | Very low | 45.4 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | -110.2 | 142.1 | 157 | -164.4 | 0 | 0 | 0 | 0 | 106.9 | I307 Q311 | I307-S309 PolarHBondContact O-N 3.44Å; I307-S309 VanDerWaalsContact O-N 3.16Å; S309-Q311 PolarHBondContact O-N 3.28Å; S309-Q311 VanDerWaalsContact O-N 3.07Å | ||
| 310 | P | 45.2 | Very low | 46.1 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | trans | -56.5 | 119.7 | -173.7 | -19 | 30 | 0 | 0 | 0 | 110.1 | V312 | P310-V312 PolarHBondContact O-N 2.98Š| ||
| 311 | Q | 38.2 | Very low | 47.8 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | trans | -55.4 | 106.7 | 177.1 | -81.7 | -169 | -22 | 0 | 0 | 110.1 | S309 Q313 | S309-Q311 PolarHBondContact O-N 3.28Å; S309-Q311 VanDerWaalsContact O-N 3.07Å; Q311-Q313 PolarHBondContact O-N 3.42Å; Q311-Q313 VanDerWaalsContact OE1-NE2 3.13Å | ||
| 312 | V | 50.8 | Low | 49.7 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 67% | 0.674 | S | S | * | * | trans | -87.3 | 95.1 | 152.1 | -176.8 | 0 | 0 | 0 | 0 | 105 | P310 | P310-V312 PolarHBondContact O-N 2.98Š| ||
| 313 | Q | 49.7 | Very low | 51.8 | Low | 123 Ų | 123 | 119.6 Ų | 119.6 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | trans | -47.5 | 136.9 | 167.4 | -70.6 | -80.2 | -32 | 0 | 0 | 108.6 | Q311 S315 | Q311-Q313 PolarHBondContact O-N 3.42Å; Q311-Q313 VanDerWaalsContact OE1-NE2 3.13Å; Q313-S315 PolarHBondContact O-N 2.94Å | ||
| 314 | P | 51.5 | Low | 54 | Low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 64% | 0.642 | S | S | * | * | trans | -69.1 | 85.1 | 174.1 | 28.4 | -30 | 0 | 0 | 0 | 107.4 | T316 | P314-T316 PolarHBondContact O-N 3.35Š| ||
| 315 | S | 43.3 | Very low | 56.3 | Low | 41 Ų | 41 | 118.4 Ų | 118.4 | 29% | 0.287 | 63% | 0.628 | S | S | . | * | trans | -61.4 | 115.9 | 170.8 | 45.6 | 0 | 0 | 0 | 0 | 106.8 | Q313 D319 | Q313-S315 PolarHBondContact O-N 2.94Å; S315-D319 VanDerWaalsContact CB-OD2 3.24Å; S315-D319 WeakPolarHBondContact CB-OD2 3.4Å; S315-D319 PolarHBondContact OG-OD2 2.8Å | ||
| 316 | T | 53.6 | Low | 58.7 | Low | 95 Ų | 95 | 118 Ų | 118 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | trans | 3.7 | 133.3 | 164.1 | 58.9 | 0 | 0 | 0 | 0 | 115 | P314 F318 D319 | P314-T316 PolarHBondContact O-N 3.35Å; T316-F318 CarbonylContact O-C 3.6Å; T316-F318 PolarHBondContact O-N 3.35Å; T316-D319 WeakPolarHBondContact O-CB 3.35Å; T316-D319 PolarHBondContact O-N 3.03Å | ||
| 317 | S | 54.1 | Low | 61.3 | Low | 113 Ų | 113 | 117.3 Ų | 117.3 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -43.6 | -26.4 | 174.3 | 128.9 | 0 | 0 | 0 | 0 | 114.5 | D319 | S317-D319 VanDerWaalsContact C-N 3.33Å; S317-D319 PolarHBondContact O-N 3.24Å |
| 318 | F | 59.2 | Low | 63.6 | Low | 158 Ų | 158 | 116.3 Ų | 116.3 | 69% | 0.693 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.9 | -28.7 | 172.4 | -168.8 | -105.4 | 0 | 0 | 0 | 115.5 | T316 S322 | T316-F318 CarbonylContact O-C 3.6Å; T316-F318 PolarHBondContact O-N 3.35Å; F318-S322 WeakPolarHBondContact O-CB 3.43Å; F318-S322 PolarHBondContact O-N 2.95Å; F318-S322 VanDerWaalsContact O-N 3.13Å; F318-S322 PolarHBondContact O-OG 3.47Å |
| 319 | D | 66.3 | Low | 65.9 | Low | 54 Ų | 54 | 117.3 Ų | 117.3 | 29% | 0.289 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -83 | -31.8 | -174.9 | -154.9 | 33.4 | 0 | 0 | 0 | 112.1 | S315 T316 S317 R323 | S315-D319 VanDerWaalsContact CB-OD2 3.24Å; S315-D319 WeakPolarHBondContact CB-OD2 3.4Å; S315-D319 PolarHBondContact OG-OD2 2.8Å; T316-D319 WeakPolarHBondContact O-CB 3.35Å; T316-D319 PolarHBondContact O-N 3.03Å; S317-D319 VanDerWaalsContact C-N 3.33Å; S317-D319 PolarHBondContact O-N 3.24Å; D319-R323 PolarHBondContact O-N 2.84Å; D319-R323 VanDerWaalsContact O-N 3.09Å |
| 320 | F | 60 | Low | 68.4 | Low | 132 Ų | 132 | 116 Ų | 116 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.7 | -44 | 170.7 | -77.6 | -80.6 | 0 | 0 | 0 | 111.7 | S322 R323 A324 | F320-S322 VanDerWaalsContact C-N 3.29Å; F320-S322 PolarHBondContact O-N 3.03Å; F320-R323 PolarHBondContact O-N 3.47Å; F320-A324 PolarHBondContact O-N 3.02Å |
| 321 | E | 74.5 | Confident | 70.4 | Confident | 122 Ų | 122 | 112.9 Ų | 112.9 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -40.1 | 176.6 | -159.9 | 63 | -127.4 | 0 | 0 | 110.5 | R323 A324 E325 | E321-R323 VanDerWaalsContact C-N 3.34Å; E321-R323 PolarHBondContact O-N 3.4Å; E321-A324 PolarHBondContact O-N 3.3Å; E321-E325 VanDerWaalsContact O-CB 3.24Å; E321-E325 WeakPolarHBondContact O-CB 3.43Å; E321-E325 PolarHBondContact O-N 2.96Å |
| 322 | S | 77.8 | Confident | 73 | Confident | 53 Ų | 53 | 110.2 Ų | 110.2 | 37% | 0.371 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -37.4 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | F318 F320 R326 | F318-S322 WeakPolarHBondContact O-CB 3.43Å; F318-S322 PolarHBondContact O-N 2.95Å; F318-S322 VanDerWaalsContact O-N 3.13Å; F318-S322 PolarHBondContact O-OG 3.47Å; F320-S322 VanDerWaalsContact C-N 3.29Å; F320-S322 PolarHBondContact O-N 3.03Å; S322-R326 VanDerWaalsContact O-CB 3.31Å; S322-R326 WeakPolarHBondContact O-CB 3.4Å; S322-R326 PolarHBondContact O-N 2.75Å |
| 323 | R | 82 | Confident | 74.9 | Confident | 143 Ų | 143 | 110 Ų | 110 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.7 | -41.4 | 173.4 | -78 | 179.3 | 178.9 | 158.3 | 2.7 | 112.3 | D319 F320 E321 R326 N327 | D319-R323 PolarHBondContact O-N 2.84Å; D319-R323 VanDerWaalsContact O-N 3.09Å; F320-R323 PolarHBondContact O-N 3.47Å; E321-R323 VanDerWaalsContact C-N 3.34Å; E321-R323 PolarHBondContact O-N 3.4Å; R323-R326 PolarHBondContact O-N 2.93Å; R323-N327 PolarHBondContact O-N 3.28Å |
| 324 | A | 85.8 | Confident | 76.7 | Confident | 51 Ų | 51 | 112.1 Ų | 112.1 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F320 E321 N327 K328 | F320-A324 PolarHBondContact O-N 3.02Å; E321-A324 PolarHBondContact O-N 3.3Å; A324-N327 PolarHBondContact O-N 3.39Å; A324-K328 WeakPolarHBondContact O-CB 3.36Å; A324-K328 PolarHBondContact O-N 3.04Å |
| 325 | E | 87.1 | Confident | 78.2 | Confident | 116 Ų | 116 | 111.6 Ų | 111.6 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.6 | -168.7 | 114.9 | -127.8 | 0 | 0 | 111.7 | E321 K328 R329 | E321-E325 VanDerWaalsContact O-CB 3.24Å; E321-E325 WeakPolarHBondContact O-CB 3.43Å; E321-E325 PolarHBondContact O-N 2.96Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 2.84Å; E325-R329 PolarHBondContact O-N 3.42Å |
| 326 | R | 90.3 | Very high | 80.3 | Confident | 198 Ų | 198 | 112.5 Ų | 112.5 | 75% | 0.747 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62 | -44.7 | 173.9 | -170.9 | -177.3 | -177.9 | 101.3 | 0.4 | 111.9 | S322 R323 R329 L330 | S322-R326 VanDerWaalsContact O-CB 3.31Å; S322-R326 WeakPolarHBondContact O-CB 3.4Å; S322-R326 PolarHBondContact O-N 2.75Å; R323-R326 PolarHBondContact O-N 2.93Å; R326-R329 PolarHBondContact O-N 2.99Å; R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 PolarHBondContact O-N 2.95Å |
| 327 | N | 88.8 | Confident | 81.8 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 59% | 0.594 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 176.5 | -83.1 | -25.3 | 0 | 0 | 0 | 112 | R323 A324 L330 A331 | R323-N327 PolarHBondContact O-N 3.28Å; A324-N327 PolarHBondContact O-N 3.39Å; N327-L330 PolarHBondContact O-N 2.73Å; N327-A331 WeakPolarHBondContact O-CB 3.47Å; N327-A331 PolarHBondContact O-N 2.88Å |
| 328 | K | 95.9 | Very high | 83 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 174.6 | -174.7 | -179.5 | 179.6 | -176.8 | 0 | 111.6 | A324 E325 A331 L332 | A324-K328 WeakPolarHBondContact O-CB 3.36Å; A324-K328 PolarHBondContact O-N 3.04Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 2.84Å; K328-A331 PolarHBondContact O-N 2.91Å; K328-L332 WeakPolarHBondContact O-CG 3.45Å; K328-L332 PolarHBondContact O-N 2.87Å |
| 329 | R | 91.4 | Very high | 84 | Confident | 194 Ų | 194 | 114.3 Ų | 114.3 | 73% | 0.732 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 176.7 | -172.3 | 175.8 | 177.6 | 163.6 | 0.1 | 112 | E325 R326 A331 L332 E333 | E325-R329 PolarHBondContact O-N 3.42Å; R326-R329 PolarHBondContact O-N 2.99Å; R329-A331 VanDerWaalsContact C-N 3.32Å; R329-A331 PolarHBondContact O-N 3.06Å; R329-L332 PolarHBondContact O-N 3.4Å; R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 PolarHBondContact O-N 2.86Å |
| 330 | L | 90.6 | Very high | 84.4 | Confident | 70 Ų | 70 | 116 Ų | 116 | 37% | 0.366 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 177.2 | -163.6 | 83.9 | 0 | 0 | 0 | 111.8 | R326 N327 R334 | R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 PolarHBondContact O-N 2.95Å; N327-L330 PolarHBondContact O-N 2.73Å; L330-R334 WeakPolarHBondContact O-CB 3.36Å; L330-R334 WeakPolarHBondContact O-CG 3.4Å; L330-R334 PolarHBondContact O-N 2.86Å |
| 331 | A | 88.2 | Confident | 84.9 | Confident | 52 Ų | 52 | 114.3 Ų | 114.3 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.9 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N327 K328 R329 R334 L335 | N327-A331 WeakPolarHBondContact O-CB 3.47Å; N327-A331 PolarHBondContact O-N 2.88Å; K328-A331 PolarHBondContact O-N 2.91Å; R329-A331 VanDerWaalsContact C-N 3.32Å; R329-A331 PolarHBondContact O-N 3.06Å; A331-R334 PolarHBondContact O-N 2.87Å; A331-L335 PolarHBondContact O-N 3.07Å |
| 332 | L | 93 | Very high | 84.4 | Confident | 107 Ų | 107 | 114 Ų | 114 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.7 | -41.8 | 175.6 | -73.3 | 172.6 | 0 | 0 | 0 | 112.3 | K328 R329 L335 A336 | K328-L332 WeakPolarHBondContact O-CG 3.45Å; K328-L332 PolarHBondContact O-N 2.87Å; R329-L332 PolarHBondContact O-N 3.4Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 2.8Å; L332-A336 PolarHBondContact O-N 2.85Å |
| 333 | E | 88.7 | Confident | 83.4 | Confident | 125 Ų | 125 | 116.8 Ų | 116.8 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.8 | -42.7 | 175.8 | -174.3 | 175.5 | -172.5 | 0 | 0 | 111.7 | R329 L335 A336 A337 | R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 PolarHBondContact O-N 2.86Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.01Å; E333-A336 PolarHBondContact O-N 2.88Å; E333-A337 PolarHBondContact O-N 3.37Å |
| 334 | R | 87.7 | Confident | 81.8 | Confident | 167 Ų | 167 | 112.8 Ų | 112.8 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.8 | -38.6 | 172.8 | -75.7 | 175 | 175.3 | 160.9 | -0.7 | 112.4 | L330 A331 R338 | L330-R334 WeakPolarHBondContact O-CB 3.36Å; L330-R334 WeakPolarHBondContact O-CG 3.4Å; L330-R334 PolarHBondContact O-N 2.86Å; A331-R334 PolarHBondContact O-N 2.87Å; R334-R338 WeakPolarHBondContact O-CG 3.19Å; R334-R338 PolarHBondContact O-N 2.88Å; R334-R338 VanDerWaalsContact O-N 3.13Å |
| 335 | L | 83.4 | Confident | 79.9 | Confident | 106 Ų | 106 | 115.7 Ų | 115.7 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.8 | -41.8 | 175 | -105 | 174.7 | 0 | 0 | 0 | 111.9 | A331 L332 E333 R338 K339 | A331-L335 PolarHBondContact O-N 3.07Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 2.8Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.01Å; L335-R338 PolarHBondContact O-N 3.14Å; L335-K339 PolarHBondContact O-N 3.29Å |
| 336 | A | 87.6 | Confident | 78 | Confident | 60 Ų | 60 | 118.3 Ų | 118.3 | 50% | 0.496 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.9 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L332 E333 R338 K339 S340 | L332-A336 PolarHBondContact O-N 2.85Å; E333-A336 PolarHBondContact O-N 2.88Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 3.26Å; A336-K339 PolarHBondContact O-N 3.01Å; A336-S340 PolarHBondContact O-N 2.96Å; A336-S340 PolarHBondContact O-OG 3.34Å |
| 337 | A | 84.8 | Confident | 76.2 | Confident | 51 Ų | 51 | 115.3 Ų | 115.3 | 42% | 0.421 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.1 | -35.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E333 S340 S341 | E333-A337 PolarHBondContact O-N 3.37Å; A337-S340 PolarHBondContact O-OG 2.97Å; A337-S340 VanDerWaalsContact O-OG 3.12Å; A337-S341 VanDerWaalsContact O-CB 3.31Å; A337-S341 WeakPolarHBondContact O-CB 3.43Å; A337-S341 PolarHBondContact O-N 3.39Å; A337-S341 VanDerWaalsContact O-N 3.13Å; A337-S341 PolarHBondContact O-OG 3.13Å |
| 338 | R | 80.5 | Confident | 73.8 | Confident | 180 Ų | 180 | 118.2 Ų | 118.2 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.5 | -36.8 | 172.8 | -72.5 | 176 | 70 | -166.8 | 1.4 | 112 | R334 L335 A336 C342 | R334-R338 WeakPolarHBondContact O-CG 3.19Å; R334-R338 PolarHBondContact O-N 2.88Å; R334-R338 VanDerWaalsContact O-N 3.13Å; L335-R338 PolarHBondContact O-N 3.14Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 3.26Å; R338-C342 PolarHBondContact O-N 3.47Å |
| 339 | K | 79.3 | Confident | 71.3 | Confident | 174 Ų | 174 | 114.8 Ų | 114.8 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72 | -37.7 | 179.9 | -162.8 | 173.1 | -178.5 | -179.4 | 0 | 112.5 | L335 A336 | L335-K339 PolarHBondContact O-N 3.29Å; A336-K339 PolarHBondContact O-N 3.01Å |
| 340 | S | 75.2 | Confident | 68.7 | Low | 90 Ų | 90 | 115 Ų | 115 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.3 | -33.3 | 174.4 | 59 | 0 | 0 | 0 | 0 | 112.6 | A336 A337 C342 | A336-S340 PolarHBondContact O-N 2.96Å; A336-S340 PolarHBondContact O-OG 3.34Å; A337-S340 PolarHBondContact O-OG 2.97Å; A337-S340 VanDerWaalsContact O-OG 3.12Å; S340-C342 VanDerWaalsContact C-N 3.31Å; S340-C342 PolarHBondContact O-N 3.22Å |
| 341 | S | 70.6 | Confident | 66.8 | Low | 95 Ų | 95 | 116.2 Ų | 116.2 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.7 | -16.1 | -177.4 | -56 | 0 | 0 | 0 | 0 | 114.3 | A337 | A337-S341 VanDerWaalsContact O-CB 3.31Å; A337-S341 WeakPolarHBondContact O-CB 3.43Å; A337-S341 PolarHBondContact O-N 3.39Å; A337-S341 VanDerWaalsContact O-N 3.13Å; A337-S341 PolarHBondContact O-OG 3.13Å |
| 342 | C | 62.5 | Low | 64.5 | Low | 117 Ų | 117 | 121.8 Ų | 121.8 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 1.8 | -176 | -69.9 | 0 | 0 | 0 | 0 | 115 | R338 S340 | R338-C342 PolarHBondContact O-N 3.47Å; S340-C342 VanDerWaalsContact C-N 3.31Å; S340-C342 PolarHBondContact O-N 3.22Å |
| 343 | S | 58.5 | Low | 62.4 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -106.4 | 20.6 | -177.6 | -167.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 344 | G | 48.7 | Very low | 60.5 | Low | 59 Ų | 59 | 118.8 Ų | 118.8 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | trans | -113.6 | 102.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 345 | T | 44.9 | Very low | 59.3 | Low | 111 Ų | 111 | 116.1 Ų | 116.1 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | trans | 74.6 | 87.3 | 144.2 | -44.2 | 0 | 0 | 0 | 0 | 117.6 | N347 | T345-N347 HydrophobicContact CG2-CB 3.78Å; T345-N347 WeakPolarHBondContact CG2-ND2 3.48Å; T345-N347 PolarHBondContact O-N 3.06Å | ||
| 346 | I | 47.9 | Very low | 58.4 | Low | 171 Ų | 171 | 116 Ų | 116 | 88% | 0.877 | 67% | 0.674 | S | S | * | * | trans | -60.3 | 109.4 | 138.8 | 0 | 175.3 | 0 | 0 | 0 | 107 | ||||
| 347 | N | 51.8 | Low | 57.4 | Low | 136 Ų | 136 | 118 Ų | 118 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -152 | 133.5 | 159.8 | -84.7 | -35.7 | 0 | 0 | 0 | 109.6 | T345 | T345-N347 HydrophobicContact CG2-CB 3.78Å; T345-N347 WeakPolarHBondContact CG2-ND2 3.48Å; T345-N347 PolarHBondContact O-N 3.06Å | ||
| 348 | N | 39.3 | Very low | 56.6 | Low | 172 Ų | 172 | 121.1 Ų | 121.1 | 92% | 0.92 | 68% | 0.681 | S | S | * | * | trans | -58.5 | 127.2 | -172 | -60.4 | -40.6 | 0 | 0 | 0 | 112.8 | ||||
| 349 | G | 43 | Very low | 56.1 | Low | 63 Ų | 63 | 118.5 Ų | 118.5 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | 174.5 | 107.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | P351 | G349-P351 WeakPolarHBondContact O-CD 3.26Š| ||
| 350 | K | 36.9 | Very low | 55.7 | Low | 198 Ų | 198 | 117 Ų | 117 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -65.8 | 119.2 | 178.2 | -158.2 | 163.2 | -173.1 | 170.7 | 0 | 108.1 | ||||
| 351 | P | 49.6 | Very low | 55.6 | Low | 96 Ų | 96 | 118.2 Ų | 118.2 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | trans | -124.2 | 114 | 136.9 | 35.2 | -29 | 0 | 0 | 0 | 109.3 | G349 L353 | G349-P351 WeakPolarHBondContact O-CD 3.26Å; P351-L353 HydrophobicContact CB-CD1 4.36Å; P351-L353 PolarHBondContact O-N 3.35Å | ||
| 352 | Q | 40.7 | Very low | 55.7 | Low | 168 Ų | 168 | 116.5 Ų | 116.5 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -57.7 | 88.4 | 158.2 | -89.4 | -86.3 | 6.7 | 0 | 0 | 108.3 | ||||
| 353 | L | 49.3 | Very low | 56.1 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | trans | -122.5 | 91.7 | 167 | -79.5 | 167.4 | 0 | 0 | 0 | 107.5 | P351 T355 | P351-L353 HydrophobicContact CB-CD1 4.36Å; P351-L353 PolarHBondContact O-N 3.35Å; L353-T355 PolarHBondContact O-N 3.29Å | ||
| 354 | S | 48.4 | Very low | 56.9 | Low | 48 Ų | 48 | 118.9 Ų | 118.9 | 34% | 0.336 | 65% | 0.653 | S | S | . | * | trans | -25.7 | 118.9 | 168.4 | 168.2 | 0 | 0 | 0 | 0 | 112.8 | N356 H357 | S354-N356 PolarHBondContact O-N 2.94Å; S354-N356 PolarHBondContact OG-ND2 3.44Å; S354-H357 PolarHBondContact O-N 3.36Å | ||
| 355 | T | 62.7 | Low | 58 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -47.9 | -19.2 | 174.3 | 19.1 | 0 | 0 | 0 | 0 | 113.7 | L353 | L353-T355 PolarHBondContact O-N 3.29Å |
| 356 | N | 65.1 | Low | 58.9 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.4 | -25.8 | 175.1 | -64.3 | -70.3 | 0 | 0 | 0 | 114.1 | S354 K360 | S354-N356 PolarHBondContact O-N 2.94Å; S354-N356 PolarHBondContact OG-ND2 3.44Å; N356-K360 WeakPolarHBondContact O-CB 2.95Å; N356-K360 WeakPolarHBondContact O-CG 3.43Å; N356-K360 PolarHBondContact O-N 2.89Å |
| 357 | H | 65.5 | Low | 59.8 | Low | 102 Ų | 102 | 113 Ų | 113 | 47% | 0.472 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -81.8 | -33.3 | -179.9 | -64.5 | -42.9 | 0 | 0 | 0 | 112.8 | S354 K360 N361 | S354-H357 PolarHBondContact O-N 3.36Å; H357-K360 PolarHBondContact O-N 2.91Å; H357-N361 PolarHBondContact O-N 3.38Å |
| 358 | I | 69 | Low | 60.3 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.5 | -43.8 | 177.9 | -63 | 168.8 | 0 | 0 | 0 | 110.2 | N361 A362 | I358-N361 PolarHBondContact O-N 2.97Å; I358-A362 WeakPolarHBondContact O-CB 3.45Å; I358-A362 PolarHBondContact O-N 2.91Å |
| 359 | L | 70.1 | Confident | 60.9 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.9 | -35.8 | 176.2 | -67.4 | 175.4 | 0 | 0 | 0 | 112.7 | L363 | L359-L363 VanDerWaalsContact O-CB 3.3Å; L359-L363 WeakPolarHBondContact O-CB 3.38Å; L359-L363 PolarHBondContact O-N 3.17Å |
| 360 | K | 70.9 | Confident | 61.4 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 62% | 0.622 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -41 | 175.1 | -87.6 | 177.9 | 176.9 | 173.6 | 0 | 112.6 | N356 H357 K364 | N356-K360 WeakPolarHBondContact O-CB 2.95Å; N356-K360 WeakPolarHBondContact O-CG 3.43Å; N356-K360 PolarHBondContact O-N 2.89Å; H357-K360 PolarHBondContact O-N 2.91Å; K360-K364 VanDerWaalsContact O-CB 3.23Å; K360-K364 WeakPolarHBondContact O-CB 3.36Å; K360-K364 PolarHBondContact O-N 3.12Å |
| 361 | N | 73.3 | Confident | 62.1 | Low | 114 Ų | 114 | 107.2 Ų | 107.2 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.1 | -37.7 | 178.3 | -73 | -10.7 | 0 | 0 | 0 | 111.7 | H357 I358 K364 A365 | H357-N361 PolarHBondContact O-N 3.38Å; I358-N361 PolarHBondContact O-N 2.97Å; N361-K364 PolarHBondContact O-N 2.97Å; N361-A365 WeakPolarHBondContact O-CB 3.23Å; N361-A365 PolarHBondContact O-N 3.49Å |
| 362 | A | 71.9 | Confident | 62.1 | Low | 59 Ų | 59 | 108.9 Ų | 108.9 | 49% | 0.488 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I358 A366 | I358-A362 WeakPolarHBondContact O-CB 3.45Å; I358-A362 PolarHBondContact O-N 2.91Å; A362-A366 PolarHBondContact O-N 3.44Å; A362-A366 VanDerWaalsContact O-N 3.11Å |
| 363 | L | 71.3 | Confident | 62 | Low | 120 Ų | 120 | 108.5 Ų | 108.5 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.1 | -34.3 | 178.5 | -154.5 | 151.5 | 0 | 0 | 0 | 111.7 | L359 A366 V367 | L359-L363 VanDerWaalsContact O-CB 3.3Å; L359-L363 WeakPolarHBondContact O-CB 3.38Å; L359-L363 PolarHBondContact O-N 3.17Å; L363-A366 PolarHBondContact O-N 2.84Å; L363-V367 HydrophobicContact CD2-CG2 3.99Å; L363-V367 WeakPolarHBondContact O-CG2 3.31Å; L363-V367 PolarHBondContact O-N 2.82Å; L363-V367 VanDerWaalsContact O-N 3.08Å |
| 364 | K | 74.9 | Confident | 61.5 | Low | 159 Ų | 159 | 107.3 Ų | 107.3 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.5 | -36.3 | 174.6 | -166.6 | 168.5 | -177.5 | -175.6 | 0 | 112.5 | K360 N361 S368 | K360-K364 VanDerWaalsContact O-CB 3.23Å; K360-K364 WeakPolarHBondContact O-CB 3.36Å; K360-K364 PolarHBondContact O-N 3.12Å; N361-K364 PolarHBondContact O-N 2.97Å; K364-S368 PolarHBondContact O-N 3.32Å |
| 365 | A | 70.9 | Confident | 61.1 | Low | 54 Ų | 54 | 115.2 Ų | 115.2 | 45% | 0.446 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.8 | -34.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N361 S368 T369 | N361-A365 WeakPolarHBondContact O-CB 3.23Å; N361-A365 PolarHBondContact O-N 3.49Å; A365-S368 PolarHBondContact O-OG 2.99Å; A365-T369 PolarHBondContact O-OG1 3.16Å |
| 366 | A | 65.2 | Low | 60.2 | Low | 70 Ų | 70 | 114.8 Ų | 114.8 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.9 | -31.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A362 L363 | A362-A366 PolarHBondContact O-N 3.44Å; A362-A366 VanDerWaalsContact O-N 3.11Å; L363-A366 PolarHBondContact O-N 2.84Å |
| 367 | V | 65.6 | Low | 59 | Low | 94 Ų | 94 | 117.3 Ų | 117.3 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.1 | -25.5 | 178.9 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | L363 T369 | L363-V367 HydrophobicContact CD2-CG2 3.99Å; L363-V367 WeakPolarHBondContact O-CG2 3.31Å; L363-V367 PolarHBondContact O-N 2.82Å; L363-V367 VanDerWaalsContact O-N 3.08Å; V367-T369 VanDerWaalsContact C-N 3.33Å; V367-T369 PolarHBondContact O-N 3.42Å |
| 368 | S | 62.2 | Low | 57.8 | Low | 95 Ų | 95 | 118.1 Ų | 118.1 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -2.9 | 178.4 | 77.5 | 0 | 0 | 0 | 0 | 114.8 | K364 A365 | K364-S368 PolarHBondContact O-N 3.32Å; A365-S368 PolarHBondContact O-OG 2.99Å |
| 369 | T | 52.4 | Low | 56.6 | Low | 112 Ų | 112 | 118.1 Ų | 118.1 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 24.6 | -177.4 | -46.1 | 0 | 0 | 0 | 0 | 112.4 | A365 V367 P371 | A365-T369 PolarHBondContact O-OG1 3.16Å; V367-T369 VanDerWaalsContact C-N 3.33Å; V367-T369 PolarHBondContact O-N 3.42Å; T369-P371 WeakPolarHBondContact O-CD 3.48Å |
| 370 | I | 54 | Low | 55.3 | Low | 131 Ų | 131 | 121.4 Ų | 121.4 | 67% | 0.672 | 70% | 0.696 | S | S | * | * | trans | -94.8 | 106.9 | 168.5 | -53.9 | 174 | 0 | 0 | 0 | 107 | ||||
| 371 | P | 51 | Low | 54.1 | Low | 109 Ų | 109 | 119.6 Ų | 119.6 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 131.5 | 178.1 | 28.5 | -30.6 | 0 | 0 | 0 | 109.4 | T369 L373 | T369-P371 WeakPolarHBondContact O-CD 3.48Å; P371-L373 PolarHBondContact O-N 3.34Å |
| 372 | P | 49.1 | Very low | 52.2 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 84% | 0.844 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 118.5 | 172.1 | 28.9 | -30.1 | 0 | 0 | 0 | 109.2 | ||
| 373 | L | 39 | Very low | 51.2 | Low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124.6 | 174.3 | -172 | 66.2 | 0 | 0 | 0 | 109.9 | P371 | P371-L373 PolarHBondContact O-N 3.34Š|
| 374 | S | 40 | Very low | 49.9 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | 64.1 | 112.4 | 158.8 | 66.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 375 | K | 39.2 | Very low | 48.7 | Very low | 214 Ų | 214 | 124.6 Ų | 124.6 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | -177.9 | 102.1 | 119.5 | -93.3 | 177.8 | -167.5 | -173.4 | 0 | 108.3 | |||||
| 376 | A | 44.5 | Very low | 47.6 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | -149.3 | 97.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 377 | D | 38.8 | Very low | 46.7 | Very low | 157 Ų | 157 | 129 Ų | 129 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -92 | 154.9 | 155.5 | -86.2 | -40.8 | 0 | 0 | 0 | 108.5 | ||||
| 378 | T | 41.5 | Very low | 45.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | 105.8 | 96.4 | 153 | -45.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 379 | T | 42 | Very low | 44.7 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | 83.2 | 110.7 | 137.9 | 67.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 380 | K | 43.8 | Very low | 44.3 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | 169.5 | 130.6 | 99.6 | -93.2 | -177 | 177.3 | 176.7 | 0 | 112.3 | |||||
| 381 | S | 45.2 | Very low | 43.9 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 61.8 | 102.6 | 144.1 | 61.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 382 | F | 34 | Very low | 43.4 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | 6.4 | 153 | 119.3 | -73.8 | -79.5 | 0 | 0 | 0 | 118.9 | |||||
| 383 | P | 51.8 | Low | 43.3 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -153.9 | 167 | 48 | 42.4 | -20 | 0 | 0 | 0 | 120.8 | ||||
| 384 | D | 43.6 | Very low | 43.5 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 82.2 | 110 | 138.1 | -65.6 | -10.6 | 0 | 0 | 0 | 126.2 | ||||
| 385 | S | 48.4 | Very low | 43.9 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 104.9 | 156.5 | 123.2 | 93.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 386 | P | 49.4 | Very low | 44.1 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | -138.6 | -173.6 | -92.1 | 31.7 | -7.7 | 0 | 0 | 0 | 114.8 | |||||
| 387 | V | 44.8 | Very low | 44.6 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | trans | 73.1 | 116.2 | 158.9 | -138.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 388 | N | 43.2 | Very low | 45.2 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | -175.8 | 126.5 | 86.8 | -64.6 | -32.9 | 0 | 0 | 0 | 111.5 | |||||
| 389 | N | 44.2 | Very low | 45.6 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 67.5 | 106.1 | 134.6 | -51.4 | -14.3 | 0 | 0 | 0 | 121.5 | ||||
| 390 | K | 42.3 | Very low | 46.1 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | 70.9 | 108 | 114.9 | -151.4 | 174.7 | -170.7 | -175.7 | 0 | 117.2 | |||||
| 391 | L | 46.1 | Very low | 45.8 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | 175.5 | 115.4 | 123 | -88.7 | 164.7 | 0 | 0 | 0 | 109.5 | |||||
| 392 | D | 40.1 | Very low | 45.8 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -66.5 | 146.6 | 169.2 | -67.6 | -54.7 | 0 | 0 | 0 | 111.6 | ||||
| 393 | T | 48.6 | Very low | 46 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -175.9 | 97.5 | 132.8 | 31.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 394 | D | 41.7 | Very low | 45.5 | Very low | 171 Ų | 171 | 140 Ų | 140 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -88.9 | 131.6 | 159.5 | -85.6 | -37.1 | 0 | 0 | 0 | 108.7 | ||||
| 395 | V | 48.9 | Very low | 45.2 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -117.7 | 96.9 | 171 | 174.4 | 0 | 0 | 0 | 0 | 106.9 | I397 | V395-I397 HydrophobicContact CG1-CD1 4.22Å; V395-I397 HydrophobicContact CG1-CG1 3.87Å | ||
| 396 | S | 43.4 | Very low | 44.7 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -87.4 | 126.6 | 157.6 | -87 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 397 | I | 54.4 | Low | 44.4 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -106.2 | 101.8 | 170.8 | -63.4 | 170.9 | 0 | 0 | 0 | 106.2 | V395 | V395-I397 HydrophobicContact CG1-CD1 4.22Å; V395-I397 HydrophobicContact CG1-CG1 3.87Å | ||
| 398 | D | 51.5 | Low | 44.1 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 134.6 | 164.3 | -74 | -46.1 | 0 | 0 | 0 | 109.4 | ||
| 399 | I | 49.5 | Very low | 43.9 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 122.1 | 176.9 | -62.6 | 168.8 | 0 | 0 | 0 | 107.9 | ||
| 400 | P | 53.5 | Low | 43.8 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 121.3 | 175.2 | 30.3 | -30.4 | 0 | 0 | 0 | 111.3 | ||
| 401 | C | 38.2 | Very low | 43.7 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118.9 | 152.1 | -80.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 402 | S | 43.7 | Very low | 43.6 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | -122 | 114.3 | 165.4 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 403 | E | 39.9 | Very low | 43.8 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -57.9 | 129.7 | 153 | -78.9 | 171.7 | 131 | 0 | 0 | 109.1 | ||||
| 404 | N | 39.6 | Very low | 43.5 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -117.3 | 107 | 160 | -74.6 | -31 | 0 | 0 | 0 | 106.8 | ||||
| 405 | A | 38.8 | Very low | 43.4 | Very low | 81 Ų | 81 | 138 Ų | 138 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -91.9 | 154.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 406 | D | 37.9 | Very low | 42.9 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 82 | 94.4 | 159.4 | -52.6 | -25.9 | 0 | 0 | 0 | 119.2 | ||||
| 407 | T | 41.6 | Very low | 43.1 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | -153.3 | 106.1 | 128.4 | 42 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 408 | L | 39.1 | Very low | 42.5 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 25.1 | 113.7 | 142 | -66 | 164.3 | 0 | 0 | 0 | 119.3 | ||||
| 409 | F | 40 | Very low | 42.5 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -155.9 | 97.8 | 137.3 | -130.9 | -93.6 | 0 | 0 | 0 | 111.4 | ||||
| 410 | N | 40.8 | Very low | 42.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | 37 | 125.4 | 129.8 | -72.6 | -11.6 | 0 | 0 | 0 | 120.8 | |||||
| 411 | N | 40.4 | Very low | 42.1 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 103.9 | 97.9 | 145.8 | -47 | -26.1 | 0 | 0 | 0 | 117.1 | ||||
| 412 | A | 44.1 | Very low | 42.7 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | 162.2 | 130.2 | 110.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 413 | S | 43.4 | Very low | 42.6 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 65.4 | 95.8 | 147 | -64.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 414 | T | 42.8 | Very low | 43.3 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -41.6 | 133 | 148.3 | -37.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 415 | F | 39.7 | Very low | 44.1 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -162.8 | 112.1 | 134.7 | -104.4 | -74.5 | 0 | 0 | 0 | 109.8 | ||||
| 416 | T | 38.8 | Very low | 45.1 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -90.2 | 129.7 | 171.4 | 45 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 417 | I | 46.5 | Very low | 45.4 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -137.3 | 110.1 | 154 | -62.9 | -178.4 | 0 | 0 | 0 | 108 | ||||
| 418 | T | 42.1 | Very low | 45.8 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 137 | 160.8 | 42.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 419 | H | 52.8 | Low | 46.2 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -176.8 | 105.9 | 141.4 | -92 | -65.9 | 0 | 0 | 0 | 106.4 | ||||
| 420 | D | 49.7 | Very low | 46.6 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | 87.1 | 133.5 | 78.3 | -140.3 | 0.3 | 0 | 0 | 0 | 113.3 | |||||
| 421 | N | 44.6 | Very low | 47.2 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -81.4 | 148.6 | -166.6 | -63.6 | -68.2 | 0 | 0 | 0 | 112.4 | ||||
| 422 | H | 49.8 | Very low | 47.8 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -164.7 | 133.1 | 136.4 | -117.6 | -77.4 | 0 | 0 | 0 | 112.6 | ||||
| 423 | E | 42.2 | Very low | 48.5 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -56.2 | 153.8 | 168.1 | -77.7 | 164.1 | 111.2 | 0 | 0 | 113.5 | ||||
| 424 | T | 54 | Low | 48.9 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 153.3 | 126.4 | 122.3 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 425 | P | 57.8 | Low | 49.7 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -112.4 | -164.7 | 161 | 41.8 | -29.9 | 0 | 0 | 0 | 109.9 | ||||
| 426 | P | 58.8 | Low | 50 | Low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -131.8 | 178.1 | -18.4 | 34.7 | -15 | 0 | 0 | 0 | 113.6 | ||||
| 427 | F | 44.8 | Very low | 50.6 | Low | 187 Ų | 187 | 144.5 Ų | 144.5 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -165.3 | 112.6 | 155.3 | -137.7 | -108.2 | 0 | 0 | 0 | 109 | ||||
| 428 | L | 48.7 | Very low | 50.3 | Low | 123 Ų | 123 | 142 Ų | 142 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | 57.4 | 136.9 | 101.6 | -70 | -179.8 | 0 | 0 | 0 | 113.9 | |||||
| 429 | E | 48.9 | Very low | 50.9 | Low | 165 Ų | 165 | 141.8 Ų | 141.8 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | cis | -177 | 174.9 | 4.8 | -176.3 | 167.2 | -167.4 | 0 | 0 | 106.7 | ||||
| 430 | E | 47.6 | Very low | 50.7 | Low | 179 Ų | 179 | 138.7 Ų | 138.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | 89.9 | 133.8 | 168.9 | -61 | -163.2 | 136.1 | 0 | 0 | 119.5 | ||||
| 431 | T | 54.3 | Low | 50.8 | Low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | cis | -169.2 | 144.5 | -19.4 | -64.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 432 | P | 53.1 | Low | 50.7 | Low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -107.3 | 158 | 177.6 | 37.7 | -28.8 | 0 | 0 | 0 | 113.8 | ||||
| 433 | A | 57.9 | Low | 50.9 | Low | 110 Ų | 110 | 139.2 Ų | 139.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -154.8 | 137.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 434 | S | 53 | Low | 50.9 | Low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -114.2 | -158.6 | -172.8 | -151.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 435 | P | 58.8 | Low | 50.9 | Low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | -127.6 | -171.6 | -63.7 | 29.3 | -7.9 | 0 | 0 | 0 | 114.4 | |||||
| 436 | D | 45.1 | Very low | 50.5 | Low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 113.7 | 148.5 | -72.5 | -15.7 | 0 | 0 | 0 | 123.6 | ||||
| 437 | K | 52.6 | Low | 50.2 | Low | 212 Ų | 212 | 138.3 Ų | 138.3 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | -173.6 | 120.6 | 127.1 | -113.4 | 172.6 | 179.9 | 177.6 | 0 | 113.9 | |||||
| 438 | S | 40.5 | Very low | 50.9 | Low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -93.7 | -172.3 | 161.1 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 439 | P | 54 | Low | 50.8 | Low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -132.8 | -170.1 | -32.1 | 27.5 | -4 | 0 | 0 | 0 | 113.5 | ||||
| 440 | S | 47.8 | Very low | 51.1 | Low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 91.3 | 123.7 | 154.9 | -60 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 441 | V | 52.4 | Low | 51.5 | Low | 141 Ų | 141 | 132.8 Ų | 132.8 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | -179.8 | 131.5 | 113.1 | 157.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 442 | L | 42.8 | Very low | 51.9 | Low | 156 Ų | 156 | 133.1 Ų | 133.1 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -67.6 | 153.2 | 173.6 | -68.2 | 158.8 | 0 | 0 | 0 | 112.2 | ||||
| 443 | H | 52.9 | Low | 51.8 | Low | 191 Ų | 191 | 135.4 Ų | 135.4 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | -171.8 | 126.2 | 128.2 | -104.5 | -75.9 | 0 | 0 | 0 | 112.1 | |||||
| 444 | E | 42.6 | Very low | 52.1 | Low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -92.3 | 132 | 174.8 | 169.4 | -169.6 | 167.9 | 0 | 0 | 109.5 | ||||
| 445 | V | 54.7 | Low | 52.2 | Low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -155.3 | 106 | 156.8 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 446 | A | 48.6 | Very low | 52.3 | Low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | 43.3 | 121.2 | 127.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 447 | S | 53.7 | Low | 52.8 | Low | 119 Ų | 119 | 140.9 Ų | 140.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | 88.6 | 154.1 | 111.8 | -76.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 448 | P | 59.4 | Low | 53.6 | Low | 106 Ų | 106 | 138 Ų | 138 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | trans | -118 | 171.3 | -141.8 | 43.5 | -31.5 | 0 | 0 | 0 | 114.4 | ||||
| 449 | N | 46.8 | Very low | 54.5 | Low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -167.4 | 150.9 | 170.7 | -79 | -39.8 | 0 | 0 | 0 | 106.4 | ||||
| 450 | H | 54.7 | Low | 54.8 | Low | 140 Ų | 140 | 142.1 Ų | 142.1 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | cis | -177.4 | 143.5 | 13.1 | -139.8 | 3.2 | 0 | 0 | 0 | 108.3 | ||||
| 451 | E | 56.2 | Low | 55.3 | Low | 136 Ų | 136 | 148.1 Ų | 148.1 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | 56.6 | 151.8 | 143.3 | -12.2 | -159.4 | 107 | 0 | 0 | 122 | ||||
| 452 | D | 61.4 | Low | 55.5 | Low | 123 Ų | 123 | 148.5 Ų | 148.5 | 66% | 0.658 | 80% | 0.802 | S | S | * | * | cis | -155.9 | 149.2 | 26.9 | -101.8 | -44.4 | 0 | 0 | 0 | 112.7 | ||||
| 453 | E | 51.9 | Low | 56.1 | Low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | 29.1 | 129.7 | 143.6 | -59.3 | -167.6 | 157.8 | 0 | 0 | 122.8 | ||||
| 454 | S | 64.3 | Low | 56.3 | Low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -178.4 | 122.7 | 112.5 | -69.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 455 | D | 54.4 | Low | 57.1 | Low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -56.6 | 153.5 | 178.7 | -60.7 | -58.3 | 0 | 0 | 0 | 115.5 | ||||
| 456 | L | 60.5 | Low | 57.3 | Low | 158 Ų | 158 | 144.4 Ų | 144.4 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | -176.2 | 101.2 | 128.7 | -96.5 | 155 | 0 | 0 | 0 | 110.7 | I458 | L456-I458 HydrophobicContact CD2-CG1 4.47Š| |||
| 457 | I | 56.4 | Low | 57.9 | Low | 158 Ų | 158 | 148.7 Ų | 148.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -88.4 | 135 | 159.9 | -70 | 166.6 | 0 | 0 | 0 | 107 | ||||
| 458 | I | 68.6 | Low | 58.2 | Low | 153 Ų | 153 | 150.9 Ų | 150.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -136.5 | 112 | 160.3 | -36.3 | 172.3 | 0 | 0 | 0 | 106.6 | L456 | L456-I458 HydrophobicContact CD2-CG1 4.47Š| ||
| 459 | D | 59.6 | Low | 58.1 | Low | 144 Ų | 144 | 154.3 Ų | 154.3 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -132.7 | 152.8 | 164.8 | -109.2 | -20.2 | 0 | 0 | 0 | 106.5 | ||||
| 460 | L | 60.7 | Low | 59 | Low | 162 Ų | 162 | 154.2 Ų | 154.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | 99 | 98.6 | 177.2 | -66.5 | 136 | 0 | 0 | 0 | 116.4 | ||||
| 461 | D | 59.2 | Low | 59.4 | Low | 236 Ų | 236 | 155.5 Ų | 155.5 | 100% | 1.262 | 82% | 0.822 | S | S | * | * | -151 | 0 | 89.4 | -101.3 | -19.9 | 0 | 0 | 0 | 111.2 |
Retrieved 461 of 461 residues in 112.6 ms
(Link to these results)