| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44 | Very low | 50.5 | Low | 240 Ų | 240 | 170.7 Ų | 170.7 | 100% | 1.182 | 89% | 0.887 | S | S | * | * | 0 | 118 | 0 | -120.9 | 170.3 | -176.3 | 0 | 0 | 108 | |||||
| 2 | M | 45.6 | Very low | 50.6 | Low | 192 Ų | 192 | 163.8 Ų | 163.8 | 95% | 0.946 | 87% | 0.874 | S | S | * | * | trans | 50.2 | 110.6 | 160.7 | -66.1 | 174.5 | -179.6 | 0 | 0 | 120.9 | ||||
| 3 | M | 48.1 | Very low | 50.9 | Low | 186 Ų | 186 | 165 Ų | 165 | 92% | 0.916 | 88% | 0.878 | S | S | * | * | trans | -82.4 | 155.4 | 164.4 | -57.1 | -162.4 | -174.9 | 0 | 0 | 111.7 | ||||
| 4 | A | 57.2 | Low | 51.7 | Low | 107 Ų | 107 | 164.1 Ų | 164.1 | 88% | 0.884 | 87% | 0.873 | S | S | * | * | trans | -153.8 | 103.7 | 150 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 5 | N | 46.3 | Very low | 52.5 | Low | 163 Ų | 163 | 160.4 Ų | 160.4 | 87% | 0.872 | 86% | 0.862 | S | S | * | * | trans | -101.5 | 115.7 | 165.6 | -98.1 | -45.8 | 0 | 0 | 0 | 107.8 | ||||
| 6 | A | 54 | Low | 53.3 | Low | 103 Ų | 103 | 158.3 Ų | 158.3 | 85% | 0.851 | 86% | 0.859 | S | S | * | * | trans | -93.6 | 107.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | K | 51.2 | Low | 53.1 | Low | 180 Ų | 180 | 163.9 Ų | 163.9 | 78% | 0.783 | 87% | 0.865 | S | S | * | * | trans | -78.6 | 113.3 | 167 | -80.9 | 177.2 | 176.1 | 175.7 | 0 | 109.1 | H9 | K7-H9 PolarHBondContact O-CE1 3.4Å; K7-H9 PolarHBondContact O-N 2.86Å | ||
| 8 | L | 54.1 | Low | 53.3 | Low | 163 Ų | 163 | 159.2 Ų | 159.2 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | trans | -77.3 | 106.6 | 165.7 | -91.9 | 160.8 | 0 | 0 | 0 | 109.2 | K10 | L8-K10 PolarHBondContact O-N 3.04Š| ||
| 9 | H | 51.6 | Low | 53.4 | Low | 159 Ų | 159 | 157.4 Ų | 157.4 | 74% | 0.736 | 85% | 0.846 | S | S | * | * | trans | -71.7 | 104.6 | 168.6 | -49 | 101.6 | 0 | 0 | 0 | 108.4 | K7 Q11 | K7-H9 PolarHBondContact O-CE1 3.4Å; K7-H9 PolarHBondContact O-N 2.86Å; H9-Q11 VanDerWaalsContact C-N 3.34Å; H9-Q11 PolarHBondContact O-N 3.06Å | ||
| 10 | K | 53 | Low | 53.6 | Low | 208 Ų | 208 | 158.4 Ų | 158.4 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | trans | -72.6 | 88.7 | 170.8 | -69.2 | 177.7 | 179.6 | 179.4 | 0 | 108.6 | L8 | L8-K10 PolarHBondContact O-N 3.04Š| ||
| 11 | Q | 49.9 | Very low | 53.7 | Low | 177 Ų | 177 | 156.8 Ų | 156.8 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -74.9 | 124.5 | 162.9 | -76.7 | -178.2 | -18.2 | 0 | 0 | 108.3 | H9 L13 | H9-Q11 VanDerWaalsContact C-N 3.34Å; H9-Q11 PolarHBondContact O-N 3.06Å; Q11-L13 PolarHBondContact O-N 3.09Å | ||
| 12 | A | 52.4 | Low | 53.9 | Low | 88 Ų | 88 | 151.9 Ų | 151.9 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -57.3 | 122.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L14 | A12-L14 VanDerWaalsContact C-N 3.3Å; A12-L14 PolarHBondContact O-N 3.32Å | ||
| 13 | L | 54.3 | Low | 53.7 | Low | 179 Ų | 179 | 147.3 Ų | 147.3 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -70.8 | 85.4 | 172.2 | -70.9 | 161.6 | 0 | 0 | 0 | 108.7 | Q11 | Q11-L13 PolarHBondContact O-N 3.09Š| ||
| 14 | L | 61.6 | Low | 53.8 | Low | 152 Ų | 152 | 142.8 Ų | 142.8 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 136.7 | 165.4 | -69.7 | 175.6 | 0 | 0 | 0 | 109.2 | A12 | A12-L14 VanDerWaalsContact C-N 3.3Å; A12-L14 PolarHBondContact O-N 3.32Å |
| 15 | P | 64.1 | Low | 53.2 | Low | 109 Ų | 109 | 143.4 Ų | 143.4 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 147.3 | 178.8 | 25.3 | -32 | 0 | 0 | 0 | 110.9 | R17 | P15-R17 PolarHBondContact O-N 3.04Š|
| 16 | P | 65 | Low | 52.8 | Low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.6 | -176.6 | 25.6 | -33.2 | 0 | 0 | 0 | 111.2 | S18 | P16-S18 PolarHBondContact O-N 3.09Š|
| 17 | R | 50.9 | Low | 52.5 | Low | 253 Ų | 253 | 145.8 Ų | 145.8 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123 | 173.9 | -86.2 | -170.9 | 152.8 | 174.2 | -5.5 | 110.2 | P15 | P15-R17 PolarHBondContact O-N 3.04Š|
| 18 | S | 56.2 | Low | 52.1 | Low | 80 Ų | 80 | 143.7 Ų | 143.7 | 56% | 0.559 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135.4 | 173.5 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | P16 F20 | P16-S18 PolarHBondContact O-N 3.09Å; S18-F20 PolarHBondContact O-N 2.96Å |
| 19 | P | 55.9 | Low | 51.9 | Low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -86.8 | 90.1 | 176.8 | 34.3 | -28.4 | 0 | 0 | 0 | 109.1 | ||||
| 20 | F | 55.5 | Low | 52 | Low | 176 Ų | 176 | 142.6 Ų | 142.6 | 77% | 0.772 | 80% | 0.795 | S | S | * | * | trans | -101.1 | 123.6 | 163.3 | -70.9 | -71.1 | 0 | 0 | 0 | 108.9 | S18 T22 | S18-F20 PolarHBondContact O-N 2.96Å; F20-T22 PolarHBondContact O-N 2.79Å | ||
| 21 | P | 56.9 | Low | 51.7 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -68.5 | 127.5 | 173.6 | 27.3 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 22 | T | 47.1 | Very low | 51.7 | Low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -43.8 | 134 | 168.5 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | F20 A24 | F20-T22 PolarHBondContact O-N 2.79Å; T22-A24 PolarHBondContact O-N 3.41Å | ||
| 23 | A | 42.8 | Very low | 51.4 | Low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -41.2 | 128.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 24 | A | 49.3 | Very low | 51.4 | Low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -81.7 | 150.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | T22 | T22-A24 PolarHBondContact O-N 3.41Š| ||
| 25 | P | 44.7 | Very low | 51 | Low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 142.2 | -164.3 | 30.6 | -33.5 | 0 | 0 | 0 | 112.5 | A27 | P25-A27 PolarHBondContact O-N 3.32Š| ||
| 26 | Y | 39.2 | Very low | 50 | Low | 221 Ų | 221 | 144.6 Ų | 144.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -28.6 | 112.2 | 163.4 | -168 | -96.6 | 0 | 0 | 0 | 113.3 | ||||
| 27 | A | 47.5 | Very low | 49.1 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -125.5 | 102.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P25 R29 | P25-A27 PolarHBondContact O-N 3.32Å; A27-R29 PolarHBondContact O-N 3.45Å | ||
| 28 | D | 41.7 | Very low | 48.7 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -34.7 | 116.9 | 165.4 | -170.7 | 18.1 | 0 | 0 | 0 | 114.3 | ||||
| 29 | R | 51 | Low | 48 | Very low | 242 Ų | 242 | 137.2 Ų | 137.2 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -144.8 | 120.6 | 157 | -80.4 | -160.6 | -171.3 | -172.5 | 4.1 | 110.1 | A27 | A27-R29 PolarHBondContact O-N 3.45Š| ||
| 30 | G | 52.4 | Low | 47.6 | Very low | 57 Ų | 57 | 138 Ų | 138 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | trans | -69.1 | -172.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 31 | P | 46.7 | Very low | 47.1 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 129.1 | -152.9 | 33 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 32 | I | 50 | Low | 46.5 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 121.9 | 167.8 | -64 | 177.3 | 0 | 0 | 0 | 108.3 | ||
| 33 | A | 47.8 | Very low | 46.5 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 138.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 34 | R | 53.2 | Low | 46.9 | Very low | 238 Ų | 238 | 148.7 Ų | 148.7 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 136.4 | 164.3 | -99.9 | 176.7 | 155.3 | -179.9 | -5.8 | 110 | ||
| 35 | P | 53 | Low | 46.8 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.8 | 167.9 | -11.1 | 26.9 | 0 | 0 | 0 | 110.8 | ||
| 36 | Q | 43.4 | Very low | 47 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 121.6 | 165 | -69.6 | -173.4 | -8 | 0 | 0 | 109.9 | ||
| 37 | V | 47 | Very low | 47.5 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | trans | -146.6 | 130.3 | 158.2 | -175.9 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 38 | G | 42 | Very low | 47.7 | Very low | 65 Ų | 65 | 150 Ų | 150 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | cis | 156.6 | 119.6 | 15.2 | 0 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 39 | A | 41.1 | Very low | 48.4 | Very low | 97 Ų | 97 | 154.5 Ų | 154.5 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -57.1 | 138.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 40 | T | 47.2 | Very low | 48.4 | Very low | 141 Ų | 141 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -151.6 | 141.2 | 139.8 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 41 | H | 45.6 | Very low | 48.1 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 142.9 | -172.3 | -65.2 | -98.3 | 0 | 0 | 0 | 113.5 | ||||
| 42 | H | 43.9 | Very low | 48.4 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -147.1 | 125.9 | 134.8 | -104.6 | -67.7 | 0 | 0 | 0 | 112.4 | ||||
| 43 | R | 47.7 | Very low | 48.4 | Very low | 212 Ų | 212 | 151.8 Ų | 151.8 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -76 | 154 | 178.8 | -105.2 | 179.2 | 170.4 | -166.3 | -1.2 | 111.4 | ||||
| 44 | H | 50.7 | Low | 48.4 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 86.5 | 108.8 | 148.3 | -71.9 | 9 | 0 | 0 | 0 | 118.7 | ||||
| 45 | G | 47.8 | Very low | 48.1 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | -164.2 | 69.6 | 161 | 0 | 0 | 0 | 0 | 0 | 108.5 | H47 | G45-H47 PolarHBondContact O-N 3.45Š| ||
| 46 | H | 47.3 | Very low | 47.8 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 99.9 | 179.8 | -161.9 | 72.5 | 0 | 0 | 0 | 108.7 | ||||
| 47 | H | 50.6 | Low | 48.1 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -115.3 | 96.5 | 162.8 | -58.8 | -51 | 0 | 0 | 0 | 107.8 | G45 R49 | G45-H47 PolarHBondContact O-N 3.45Å; H47-R49 PolarHBondContact O-N 3.09Å; H47-R49 VanDerWaalsContact O-N 3.17Å | ||
| 48 | Q | 51.4 | Low | 48.5 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -60.5 | 109.4 | 158.2 | -75.5 | 179 | -16.6 | 0 | 0 | 107.4 | ||||
| 49 | R | 57.1 | Low | 49.5 | Very low | 231 Ų | 231 | 151.5 Ų | 151.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -110.7 | 121.2 | 157.7 | -82.7 | -179.2 | 168.7 | -109.7 | 0.3 | 107 | H47 | H47-R49 PolarHBondContact O-N 3.09Å; H47-R49 VanDerWaalsContact O-N 3.17Å | ||
| 50 | T | 50.8 | Low | 50.9 | Low | 127 Ų | 127 | 149.6 Ų | 149.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -51.5 | 127.9 | -176.8 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | S52 | T50-S52 PolarHBondContact O-N 3.36Š| ||
| 51 | S | 46.5 | Very low | 52 | Low | 126 Ų | 126 | 146.1 Ų | 146.1 | 88% | 0.881 | 74% | 0.736 | S | S | * | * | trans | -67.9 | 112.2 | 162 | -51.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 52 | S | 51.7 | Low | 53.2 | Low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -155.2 | 66.8 | 161.7 | 63 | 0 | 0 | 0 | 0 | 108.8 | T50 | T50-S52 PolarHBondContact O-N 3.36Š| ||
| 53 | E | 50 | Low | 54.9 | Low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -123.8 | 104.5 | 156.2 | -125 | 161.2 | 116 | 0 | 0 | 105.9 | F55 | E53-F55 PolarHBondContact O-N 2.93Å; E53-F55 VanDerWaalsContact O-N 3.14Å | ||
| 54 | S | 48.5 | Very low | 56 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -56.2 | 115.1 | 167.4 | 48 | 0 | 0 | 0 | 0 | 107 | I56 | S54-I56 PolarHBondContact O-N 3.09Š| ||
| 55 | F | 46.3 | Very low | 57.2 | Low | 160 Ų | 160 | 126 Ų | 126 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | trans | -52.5 | 92.9 | 156.2 | 177.9 | -111.2 | 0 | 0 | 0 | 106.9 | E53 E57 | E53-F55 PolarHBondContact O-N 2.93Å; E53-F55 VanDerWaalsContact O-N 3.14Å; F55-E57 HydrophobicContact CD1-CB 3.78Å; F55-E57 HydrophobicContact CD1-CG 4.3Å; F55-E57 HydrophobicContact CE1-CB 3.36Å; F55-E57 HydrophobicContact CE1-CG 3.37Å; F55-E57 WeakPolarHBondContact CE1-OE1 3.4Å; F55-E57 HydrophobicContact CZ-CB 3.86Å; F55-E57 HydrophobicContact CZ-CG 3.52Å; F55-E57 PolarHBondContact O-N 2.99Å | ||
| 56 | I | 47.1 | Very low | 58.5 | Low | 136 Ų | 136 | 128.3 Ų | 128.3 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | trans | -67.8 | 91.6 | 152.4 | -96.2 | 168 | 0 | 0 | 0 | 102.6 | S54 E58 | S54-I56 PolarHBondContact O-N 3.09Å; I56-E58 HydrophobicContact CG2-CB 3.95Å; I56-E58 PolarHBondContact O-N 3.32Å | ||
| 57 | E | 49 | Very low | 59.6 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | trans | -59.6 | 97 | 148.9 | -146.9 | 162.8 | -150.8 | 0 | 0 | 103.2 | F55 Q59 | F55-E57 HydrophobicContact CD1-CB 3.78Å; F55-E57 HydrophobicContact CD1-CG 4.3Å; F55-E57 HydrophobicContact CE1-CB 3.36Å; F55-E57 HydrophobicContact CE1-CG 3.37Å; F55-E57 WeakPolarHBondContact CE1-OE1 3.4Å; F55-E57 HydrophobicContact CZ-CB 3.86Å; F55-E57 HydrophobicContact CZ-CG 3.52Å; F55-E57 PolarHBondContact O-N 2.99Å; E57-Q59 PolarHBondContact O-N 3.3Å | ||
| 58 | E | 55.6 | Low | 60.5 | Low | 176 Ų | 176 | 119.5 Ų | 119.5 | 82% | 0.822 | 62% | 0.621 | S | S | * | * | trans | -69.8 | 65.5 | 165.4 | -165.7 | 172.4 | -174.9 | 0 | 0 | 106.1 | I56 P60 | I56-E58 HydrophobicContact CG2-CB 3.95Å; I56-E58 PolarHBondContact O-N 3.32Å; E58-P60 VanDerWaalsContact O-CD 3.28Å; E58-P60 WeakPolarHBondContact O-CD 3.33Å | ||
| 59 | Q | 63.3 | Low | 61.4 | Low | 145 Ų | 145 | 117.6 Ų | 117.6 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | trans | -66.8 | 114.1 | 167.1 | -175.9 | 179.1 | 83.7 | 0 | 0 | 104.2 | E57 | E57-Q59 PolarHBondContact O-N 3.3Š| ||
| 60 | P | 70.6 | Confident | 62 | Low | 57 Ų | 57 | 112.2 Ų | 112.2 | 37% | 0.37 | 60% | 0.601 | S | S | . | * | trans | -54.5 | 136 | 177.3 | 22.3 | -31.2 | 0 | 0 | 0 | 107.6 | E58 S62 L64 | E58-P60 VanDerWaalsContact O-CD 3.28Å; E58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-S62 PolarHBondContact O-N 2.83Å; P60-L64 HydrophobicContact CB-CB 4.28Å; P60-L64 HydrophobicContact CB-CD2 4.17Å | ||
| 61 | P | 70.6 | Confident | 62.6 | Low | 68 Ų | 68 | 111.4 Ų | 111.4 | 44% | 0.442 | 60% | 0.598 | S | S | . | * | trans | -48.2 | 133.3 | 177.5 | -27.9 | 32.7 | 0 | 0 | 0 | 109.9 | W63 L64 | P61-W63 HydrophobicContact CB-CD2 4.38Å; P61-W63 HydrophobicContact CB-CG 4.09Å; P61-W63 PolarHBondContact O-N 3.3Å; P61-L64 WeakPolarHBondContact O-CB 3.25Å; P61-L64 PolarHBondContact O-N 3.44Å | ||
| 62 | S | 70.1 | Confident | 63.2 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 64% | 0.643 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -21.7 | -173.4 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | P60 L64 D65 | P60-S62 PolarHBondContact O-N 2.83Å; S62-L64 VanDerWaalsContact C-N 3.26Å; S62-L64 PolarHBondContact O-N 3.45Å; S62-D65 PolarHBondContact O-N 3.28Å |
| 63 | W | 80.5 | Confident | 63.3 | Low | 129 Ų | 129 | 115.3 Ų | 115.3 | 49% | 0.489 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.8 | -20.3 | 174 | 67.4 | -103.5 | 0 | 0 | 0 | 114.1 | P61 L67 | P61-W63 HydrophobicContact CB-CD2 4.38Å; P61-W63 HydrophobicContact CB-CG 4.09Å; P61-W63 PolarHBondContact O-N 3.3Å; W63-L67 HydrophobicContact CE3-CD1 3.8Å; W63-L67 HydrophobicContact CZ3-CD1 4.24Å; W63-L67 WeakPolarHBondContact O-CD1 3.37Å; W63-L67 PolarHBondContact O-N 3.02Å |
| 64 | L | 70.1 | Confident | 63.2 | Low | 32 Ų | 32 | 111.9 Ų | 111.9 | 17% | 0.168 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -66 | -43.1 | 175.6 | -114.9 | 92.9 | 0 | 0 | 0 | 110.7 | P60 P61 S62 L67 L68 | P60-L64 HydrophobicContact CB-CB 4.28Å; P60-L64 HydrophobicContact CB-CD2 4.17Å; P61-L64 WeakPolarHBondContact O-CB 3.25Å; P61-L64 PolarHBondContact O-N 3.44Å; S62-L64 VanDerWaalsContact C-N 3.26Å; S62-L64 PolarHBondContact O-N 3.45Å; L64-L67 PolarHBondContact O-N 2.92Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.17Å; L64-L68 PolarHBondContact O-N 3.26Å; L64-L68 VanDerWaalsContact O-N 3.09Å |
| 65 | D | 75.4 | Confident | 62.8 | Low | 81 Ų | 81 | 112 Ų | 112 | 43% | 0.433 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -38.6 | 178.8 | -71.9 | -43.7 | 0 | 0 | 0 | 111.4 | S62 L67 L68 N69 | S62-D65 PolarHBondContact O-N 3.28Å; D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 PolarHBondContact O-N 3.28Å; D65-L68 PolarHBondContact O-N 3.14Å; D65-N69 WeakPolarHBondContact O-CB 3.42Å; D65-N69 PolarHBondContact O-N 2.99Å; D65-N69 PolarHBondContact O-ND2 3.41Å |
| 66 | D | 76.8 | Confident | 62.7 | Low | 113 Ų | 113 | 109 Ų | 109 | 60% | 0.604 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.7 | -35.8 | 174.8 | -69 | -25.3 | 0 | 0 | 0 | 111.8 | ||
| 67 | L | 69.5 | Low | 62.3 | Low | 51 Ų | 51 | 112.6 Ų | 112.6 | 27% | 0.267 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -76.6 | -25.3 | 177.8 | -105.6 | 109.6 | 0 | 0 | 0 | 114.2 | W63 L64 D65 R224 | W63-L67 HydrophobicContact CE3-CD1 3.8Å; W63-L67 HydrophobicContact CZ3-CD1 4.24Å; W63-L67 WeakPolarHBondContact O-CD1 3.37Å; W63-L67 PolarHBondContact O-N 3.02Å; L64-L67 PolarHBondContact O-N 2.92Å; D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 PolarHBondContact O-N 3.28Å; L67-R224 HydrophobicContact CD2-CG 3.52Å |
| 68 | L | 70.4 | Confident | 61.9 | Low | 93 Ų | 93 | 114.3 Ų | 114.3 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -87.1 | -28.1 | 179.4 | -71.5 | 169.8 | 0 | 0 | 0 | 112.5 | L64 D65 | L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.17Å; L64-L68 PolarHBondContact O-N 3.26Å; L64-L68 VanDerWaalsContact O-N 3.09Å; D65-L68 PolarHBondContact O-N 3.14Å |
| 69 | N | 70.1 | Confident | 61.2 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 66% | 0.658 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -96.7 | 2.1 | -176.6 | -67.3 | -55.6 | 0 | 0 | 0 | 114.7 | D65 P71 | D65-N69 WeakPolarHBondContact O-CB 3.42Å; D65-N69 PolarHBondContact O-N 2.99Å; D65-N69 PolarHBondContact O-ND2 3.41Å; N69-P71 WeakPolarHBondContact O-CD 3.45Å |
| 70 | E | 68 | Low | 60 | Low | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | trans | -69.6 | 118.3 | 175.2 | -93.5 | -175.5 | 162.8 | 0 | 0 | 111.3 | R224 | E70-R224 IonicContact OE1-NH2 3.78Å; E70-R224 IonicContact OE2-CZ 3.96Å; E70-R224 IonicContact OE2-NH1 2.8Å; E70-R224 PolarHBondContact OE2-NH1 3.23Å; E70-R224 IonicContact OE2-NH2 3.7Å; E70-R224 PolarHBondContact OE2-NH2 3.41Å | ||
| 71 | P | 63.9 | Low | 59 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -64.8 | 137.8 | 175.5 | 27.1 | -32.9 | 0 | 0 | 0 | 110.2 | N69 T73 | N69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-T73 PolarHBondContact O-N 2.89Å | ||
| 72 | E | 59.4 | Low | 57.8 | Low | 196 Ų | 196 | 118.7 Ų | 118.7 | 92% | 0.916 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -64.6 | 18.2 | -173.9 | -157.3 | 179.3 | 164.2 | 0 | 0 | 114.9 | ||
| 73 | T | 53.5 | Low | 56.6 | Low | 114 Ų | 114 | 118 Ų | 118 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -153.9 | 114.7 | -176.5 | -33.2 | 0 | 0 | 0 | 0 | 112 | P71 | P71-T73 PolarHBondContact O-N 2.89Š|
| 74 | P | 48.2 | Very low | 54.7 | Low | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 68% | 0.684 | S | S | * | * | trans | -74.6 | 141.2 | 177.1 | 31.7 | -31.3 | 0 | 0 | 0 | 110 | A76 | P74-A76 PolarHBondContact O-N 3.26Š| ||
| 75 | A | 40.6 | Very low | 53.7 | Low | 105 Ų | 105 | 128.8 Ų | 128.8 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | trans | -41.4 | 115.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 76 | A | 43.2 | Very low | 52.5 | Low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -115.6 | 88.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P74 | P74-A76 PolarHBondContact O-N 3.26Š| ||
| 77 | R | 39.5 | Very low | 51 | Low | 210 Ų | 210 | 134.9 Ų | 134.9 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | 18.7 | 126.8 | 139.6 | -73.5 | -178.3 | -178.2 | -176.7 | 1.9 | 118.7 | ||||
| 78 | Q | 41 | Very low | 49.9 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | 87.2 | 120.7 | 130.7 | -65.6 | 163.9 | 7.2 | 0 | 0 | 118.4 | ||||
| 79 | S | 40.3 | Very low | 48.8 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 79.7 | 91.8 | 151.8 | -169 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 80 | G | 37.2 | Very low | 48.5 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | 106.2 | 117.2 | 115.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 81 | R | 49.6 | Very low | 47.4 | Very low | 251 Ų | 251 | 139.2 Ų | 139.2 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | 72.7 | 138.5 | 157.1 | -51.1 | -163.1 | -163.1 | -89.2 | 4.7 | 115.1 | ||||
| 82 | A | 47.2 | Very low | 46.7 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | cis | -162.1 | 139.7 | -3.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 83 | G | 45.1 | Very low | 46.2 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | 123 | 79.4 | 105.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R85 | G83-R85 PolarHBondContact O-N 3.45Š| |||
| 84 | H | 39.9 | Very low | 45.8 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 73% | 0.731 | 80% | 0.803 | S | S | * | * | trans | -39.1 | 124.6 | 152.7 | 171.9 | 95.4 | 0 | 0 | 0 | 111.5 | ||||
| 85 | R | 49.7 | Very low | 45.6 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | -168.2 | 124.6 | 127.2 | -78.9 | -132.9 | 173.4 | 175.6 | -2.3 | 110.9 | G83 | G83-R85 PolarHBondContact O-N 3.45Š| |||
| 86 | R | 49.9 | Very low | 45.6 | Very low | 216 Ų | 216 | 147.1 Ų | 147.1 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | -75.5 | 153.4 | 171.6 | -59.1 | 166.7 | 159.1 | -134.6 | -5.1 | 109.8 | ||||
| 87 | S | 45.6 | Very low | 45.4 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | 161.8 | 130.9 | 113.2 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 88 | S | 45 | Very low | 45.3 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 70.9 | 122.6 | 142.5 | -52.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 89 | S | 47.3 | Very low | 45.1 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 63.2 | 104.5 | 146.8 | 53.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 90 | D | 64.3 | Low | 45 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | -165.4 | 150 | 115.4 | -145.9 | -20.8 | 0 | 0 | 0 | 111 | |||||
| 91 | S | 45.2 | Very low | 45.2 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | trans | -91.9 | 162.4 | 178.8 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 92 | F | 49.1 | Very low | 44.6 | Very low | 189 Ų | 189 | 129.6 Ų | 129.6 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | 64.6 | 102.8 | 167.5 | 80.6 | -89 | 0 | 0 | 0 | 118.7 | ||||
| 93 | A | 48.7 | Very low | 44.2 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -115.1 | 98 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 94 | L | 46.1 | Very low | 43.8 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -104.7 | 96 | 158.8 | -175 | 72.7 | 0 | 0 | 0 | 106.3 | ||||
| 95 | F | 44 | Very low | 43.9 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -98.6 | 156.3 | 163.3 | -93.7 | -80.2 | 0 | 0 | 0 | 109.6 | ||||
| 96 | D | 39.8 | Very low | 43.5 | Very low | 169 Ų | 169 | 126 Ų | 126 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | 97.2 | 118.7 | 163.5 | -144.2 | 30.4 | 0 | 0 | 0 | 114.6 | ||||
| 97 | G | 38.1 | Very low | 42.8 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | 176.4 | 160.5 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 98 | G | 37.4 | Very low | 42.8 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 117.2 | 92.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 99 | A | 38.1 | Very low | 42.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | 66.1 | 110.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 100 | A | 37.2 | Very low | 41.7 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | 65.1 | 110.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 101 | G | 41.7 | Very low | 40.5 | Very low | 82 Ų | 82 | 124 Ų | 124 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 164.5 | 108.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 102 | A | 38 | Very low | 40.4 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -72.1 | 162.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 103 | G | 38.2 | Very low | 40 | Very low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 83% | 0.825 | S | S | * | * | trans | 95.7 | 91.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 104 | A | 36.2 | Very low | 39.5 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | 77.4 | 99.3 | 89 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 105 | Y | 42.9 | Very low | 39.2 | Very low | 228 Ų | 228 | 127.2 Ų | 127.2 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -156.8 | 116.7 | 136.5 | 38.4 | -90.8 | 0 | 0 | 0 | 110.3 | ||||
| 106 | A | 41.2 | Very low | 38.8 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -84.2 | 161.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 107 | N | 35.8 | Very low | 39 | Very low | 174 Ų | 174 | 118 Ų | 118 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -43.8 | 137.8 | 172.2 | -71.4 | -23.8 | 0 | 0 | 0 | 114.3 | ||||
| 108 | G | 44.1 | Very low | 39.4 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -146.1 | 103.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 109 | F | 31.6 | Very low | 39.7 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -82.9 | 158.4 | 174.5 | 152 | -98 | 0 | 0 | 0 | 110.4 | ||||
| 110 | E | 39.1 | Very low | 40.3 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | trans | 89.7 | 127.5 | 161.6 | -118.8 | 168 | -159.6 | 0 | 0 | 119.8 | ||||
| 111 | G | 39.1 | Very low | 40.8 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | trans | 127.6 | 105.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 112 | M | 43.1 | Very low | 40.7 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 97% | 0.97 | 83% | 0.828 | S | S | * | * | trans | 75.1 | 121.9 | 146.4 | -93.8 | 57.1 | 177.7 | 0 | 0 | 120.9 | ||||
| 113 | G | 39.7 | Very low | 40.6 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 151.9 | 96.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 114 | R | 38.6 | Very low | 40.6 | Very low | 260 Ų | 260 | 132.6 Ų | 132.6 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | trans | -54.7 | 143.6 | 177.5 | -70.3 | 179.5 | 176.4 | -92 | 2.6 | 114.7 | ||||
| 115 | G | 39.9 | Very low | 40.7 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | 164.6 | 98 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 116 | G | 36.1 | Very low | 40.6 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 94% | 0.938 | 83% | 0.826 | S | S | * | * | 92.8 | 63.9 | 53.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 117 | G | 43.2 | Very low | 40.5 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -161.2 | 101.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 118 | Q | 47.2 | Very low | 41 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 149.7 | -177.8 | -115.8 | -148.5 | -19.9 | 0 | 0 | 113 | ||
| 119 | P | 43.7 | Very low | 40.8 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 128.3 | 169.6 | 32.8 | -28.9 | 0 | 0 | 0 | 110.2 | ||
| 120 | A | 49.9 | Very low | 41.6 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 121 | P | 48.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 127 | 175.6 | 32.2 | -27.6 | 0 | 0 | 0 | 110.5 | G123 | P121-G123 PolarHBondContact O-N 3.47Š|
| 122 | W | 39.1 | Very low | 42 | Very low | 269 Ų | 269 | 141.9 Ų | 141.9 | 100% | 1.019 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -67.8 | 100.1 | 168.6 | -67.8 | 71.8 | 0 | 0 | 0 | 108.5 | ||
| 123 | G | 35.1 | Very low | 42.3 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 172.6 | 88 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P121 | P121-G123 PolarHBondContact O-N 3.47Š| ||
| 124 | G | 39 | Very low | 42.2 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -166.2 | 82.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q126 | G124-Q126 PolarHBondContact O-N 3.33Š| ||
| 125 | V | 37.5 | Very low | 42.4 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 95% | 0.945 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 109.3 | 163.5 | 179 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 126 | Q | 42 | Very low | 42.1 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -123.8 | 101.8 | 174.5 | -122.9 | -179.6 | 35 | 0 | 0 | 110.6 | G124 Y128 | G124-Q126 PolarHBondContact O-N 3.33Å; Q126-Y128 HydrophobicContact CB-CD2 4.14Å; Q126-Y128 HydrophobicContact CB-CE2 4.23Å; Q126-Y128 VanDerWaalsContact CD-CE2 3.44Å; Q126-Y128 HydrophobicContact CG-CD2 4.06Å; Q126-Y128 HydrophobicContact CG-CE2 3.66Å; Q126-Y128 PolarHBondContact O-N 3.37Å | ||
| 127 | E | 38.3 | Very low | 42.3 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -48.9 | 111.4 | 156.9 | -176.5 | 169.9 | -155.1 | 0 | 0 | 110.8 | ||||
| 128 | Y | 46.1 | Very low | 42.3 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | trans | -139.2 | 95.3 | 165.5 | -87.4 | -86.9 | 0 | 0 | 0 | 110.7 | Q126 A130 | Q126-Y128 HydrophobicContact CB-CD2 4.14Å; Q126-Y128 HydrophobicContact CB-CE2 4.23Å; Q126-Y128 VanDerWaalsContact CD-CE2 3.44Å; Q126-Y128 HydrophobicContact CG-CD2 4.06Å; Q126-Y128 HydrophobicContact CG-CE2 3.66Å; Q126-Y128 PolarHBondContact O-N 3.37Å; Y128-A130 PolarHBondContact O-N 3.03Å; Y128-A130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | Y | 40.6 | Very low | 42.4 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | -58 | 100.3 | 149.2 | -110 | -94.2 | 0 | 0 | 0 | 108.2 | R286 | Y129-R286 PolarHBondContact OH-NE 2.89Å; Y129-R286 PolarHBondContact OH-NH1 2.97Å; Y129-R286 PolarHBondContact OH-NH2 3.19Å | ||
| 130 | A | 49.1 | Very low | 42.3 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 109.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y128 | Y128-A130 PolarHBondContact O-N 3.03Å; Y128-A130 VanDerWaalsContact O-N 3.1Å | ||
| 131 | K | 48 | Very low | 42.6 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | trans | 65.3 | 99 | 148.3 | -109.3 | 174 | 176.8 | -177.7 | 0 | 118.2 | A133 | K131-A133 PolarHBondContact O-N 3.38Š| ||
| 132 | L | 38.5 | Very low | 42.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -60.1 | 118.9 | 151.2 | -73.4 | 157.7 | 0 | 0 | 0 | 109.4 | L283 | L132-L283 HydrophobicContact CD1-CD2 4.22Š| ||
| 133 | A | 48.6 | Very low | 43.3 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -119.1 | 129.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | K131 | K131-A133 PolarHBondContact O-N 3.38Š| ||
| 134 | P | 38.3 | Very low | 44 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -80.8 | 163.1 | 175.8 | 34.5 | -31 | 0 | 0 | 0 | 109.5 | ||||
| 135 | I | 42.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 127.4 | 115 | 157.6 | -64.9 | 154.2 | 0 | 0 | 0 | 112.3 | ||||
| 136 | G | 34 | Very low | 44.7 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -47.6 | 141.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 137 | R | 40.4 | Very low | 44.9 | Very low | 226 Ų | 226 | 142.1 Ų | 142.1 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -159 | 110.9 | 136.7 | -112.3 | -173.8 | -108.1 | -121.3 | 5.3 | 108.4 | H139 | R137-H139 PolarHBondContact O-N 3.13Š| ||
| 138 | A | 41.8 | Very low | 45.7 | Very low | 105 Ų | 105 | 139 Ų | 139 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | trans | -64.8 | 102.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G140 | A138-G140 PolarHBondContact O-N 2.92Š| ||
| 139 | H | 48.7 | Very low | 45.6 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | -85.1 | 91.7 | 159.5 | -95.2 | 38.2 | 0 | 0 | 0 | 107.4 | R137 | R137-H139 PolarHBondContact O-N 3.13Š| ||
| 140 | G | 43.1 | Very low | 45.9 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | trans | -62.5 | 137.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | A138 | A138-G140 PolarHBondContact O-N 2.92Š| ||
| 141 | R | 56.5 | Low | 45.7 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -69.8 | 139.3 | 174.6 | -62.8 | -165.2 | -167.9 | -80.2 | 3.4 | 109.2 | W143 | R141-W143 PolarHBondContact O-N 3.38Å; R141-W143 VanDerWaalsContact O-N 3.13Å | ||
| 142 | P | 49.9 | Very low | 45.3 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -67.4 | -13.3 | -173.2 | -20.2 | 31.8 | 0 | 0 | 0 | 115.6 | ||
| 143 | W | 51.2 | Low | 45.5 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 72% | 0.716 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -90.7 | -2.4 | -172.2 | 66.3 | -92.3 | 0 | 0 | 0 | 114.6 | R141 | R141-W143 PolarHBondContact O-N 3.38Å; R141-W143 VanDerWaalsContact O-N 3.13Å |
| 144 | E | 49.3 | Very low | 45.1 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 53% | 0.533 | 76% | 0.758 | S | S | . | * | G | 310 helix | trans | -98 | -0.4 | 176.4 | -78.8 | -167 | 146 | 0 | 0 | 114.3 | G146 | E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 2.95Å |
| 145 | Q | 46.5 | Very low | 45.4 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 18.2 | -174.6 | -74 | -178.6 | 1.9 | 0 | 0 | 115.2 | ||
| 146 | G | 44.9 | Very low | 45.3 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 2.9 | -170 | 0 | 0 | 0 | 0 | 0 | 117.8 | E144 | E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 2.95Å |
| 147 | M | 47 | Very low | 45.6 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -125.9 | 103 | -174.9 | -74.6 | -87.3 | 134.5 | 0 | 0 | 111.2 | N149 | M147-N149 PolarHBondContact O-N 2.67Š| ||
| 148 | P | 55.2 | Low | 45.4 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -70.6 | 114.8 | 171.4 | 27.9 | -29.7 | 0 | 0 | 0 | 109.7 | S150 | P148-S150 PolarHBondContact O-N 3.21Å; P148-S150 PolarHBondContact O-OG 2.8Å | ||
| 149 | N | 44.5 | Very low | 45.5 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -35.3 | 102.2 | 163.7 | -165.9 | 29.4 | 0 | 0 | 0 | 112.2 | M147 | M147-N149 PolarHBondContact O-N 2.67Š| ||
| 150 | S | 46.6 | Very low | 45.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -103.6 | 65.6 | 169 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | P148 | P148-S150 PolarHBondContact O-N 3.21Å; P148-S150 PolarHBondContact O-OG 2.8Å | ||
| 151 | A | 43.3 | Very low | 45.8 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -85 | 109.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 152 | G | 40.8 | Very low | 45.9 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | trans | 135.5 | 98.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 153 | F | 43 | Very low | 46.1 | Very low | 216 Ų | 216 | 134 Ų | 134 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | -178.9 | 105.7 | 122 | -99.9 | -76.2 | 0 | 0 | 0 | 107.9 | |||||
| 154 | R | 40.8 | Very low | 45.8 | Very low | 215 Ų | 215 | 134.4 Ų | 134.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 165.2 | 157.5 | -62 | -166.2 | -140.4 | -120.4 | 6.2 | 108.7 | ||||
| 155 | H | 44 | Very low | 46 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | 80.2 | 116.7 | 177.5 | -44.9 | -74.4 | 0 | 0 | 0 | 111.6 | ||||
| 156 | G | 39.3 | Very low | 46.2 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | 125.6 | 115.2 | 27.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 157 | G | 39.9 | Very low | 46.3 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 90.4 | 118.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 158 | G | 36.9 | Very low | 46.1 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | 83.4 | 104.8 | 128.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 159 | L | 44.1 | Very low | 45.5 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -54.6 | 141.9 | 140 | -69.2 | 152 | 0 | 0 | 0 | 108.1 | ||||
| 160 | P | 44.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | -155.3 | 158.3 | 69.6 | 37.4 | -15.5 | 0 | 0 | 0 | 118.2 | |||||
| 161 | M | 53.1 | Low | 45.5 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | 40.9 | 136.9 | 148.6 | -66.4 | -62.4 | -73.7 | 0 | 0 | 122.8 | ||||
| 162 | P | 58.3 | Low | 45.4 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 130.1 | -179.4 | 32.4 | -33.1 | 0 | 0 | 0 | 112.8 | ||
| 163 | T | 56.1 | Low | 46 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 159.3 | 165 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 164 | K | 43.4 | Very low | 46.3 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93 | 120.7 | -161.7 | 176 | -177 | -179.3 | 174.2 | 0 | 111.6 | ||
| 165 | D | 53.9 | Low | 46.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -115 | 130.9 | 170.5 | -65.6 | -37.5 | 0 | 0 | 0 | 112.6 | ||||
| 166 | K | 50.4 | Low | 45.9 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -79.2 | 126.3 | 179.5 | -78.7 | 165.2 | 159.6 | 177.5 | 0 | 111.3 | ||||
| 167 | V | 47.5 | Very low | 45.9 | Very low | 146 Ų | 146 | 136 Ų | 136 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -157 | 111.8 | 140.8 | 172.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 168 | G | 41.9 | Very low | 46 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | 96.6 | 102.8 | 79.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 169 | G | 44.4 | Very low | 46.2 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 158 | 93.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 170 | H | 44.2 | Very low | 46.4 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -67.7 | 177.7 | 173.2 | -78.4 | -99.5 | 0 | 0 | 0 | 112.4 | ||||
| 171 | H | 46.5 | Very low | 46.1 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | 82.4 | 110 | 166.3 | 60.4 | -96.7 | 0 | 0 | 0 | 118.6 | ||||
| 172 | G | 40.3 | Very low | 46 | Very low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | trans | -82.3 | -173.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 173 | P | 54.2 | Low | 45.2 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90 | 130.5 | -168.8 | 34.3 | -30.8 | 0 | 0 | 0 | 111.4 | ||
| 174 | P | 48.2 | Very low | 45.4 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 142.4 | 163.4 | 33.3 | -26.9 | 0 | 0 | 0 | 110.6 | ||
| 175 | K | 38.5 | Very low | 45.5 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 162.9 | 167.1 | -73.7 | 179.7 | 171 | -178.7 | 0 | 111.5 | ||
| 176 | V | 38.1 | Very low | 45.3 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 76.1 | 107.6 | 157 | -65.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 177 | S | 40.9 | Very low | 45.3 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -174.6 | 99.7 | 131 | -118.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 178 | R | 40.4 | Very low | 45 | Very low | 233 Ų | 233 | 147.9 Ų | 147.9 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | 44.2 | 102.6 | 90.7 | -162.9 | 175 | -176.9 | 169.7 | -0.3 | 112.5 | |||||
| 179 | E | 41.8 | Very low | 45.5 | Very low | 175 Ų | 175 | 152 Ų | 152 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -175.6 | 128.3 | 127.2 | -98.3 | 167.2 | -159.1 | 0 | 0 | 113.1 | |||||
| 180 | H | 47.6 | Very low | 45.2 | Very low | 176 Ų | 176 | 155.8 Ų | 155.8 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | trans | 34.5 | 122 | 151.9 | -72.1 | 86.4 | 0 | 0 | 0 | 121.6 | ||||
| 181 | D | 39 | Very low | 45.4 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | -175.2 | 112.4 | 97.5 | -166.3 | 20.1 | 0 | 0 | 0 | 111.6 | |||||
| 182 | H | 51 | Low | 45.2 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -139.1 | 88.9 | 167.4 | -78.7 | -26.4 | 0 | 0 | 0 | 108.5 | ||||
| 183 | G | 41.2 | Very low | 45.6 | Very low | 66 Ų | 66 | 151.5 Ų | 151.5 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -76.9 | 123.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 184 | M | 60.4 | Low | 45.4 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | -169.7 | 127.9 | 125.9 | -96.3 | -60.1 | 170.4 | 0 | 0 | 110.1 | |||||
| 185 | D | 46.1 | Very low | 45.4 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 58% | 0.583 | 81% | 0.807 | S | S | * | * | trans | -41.9 | 124.4 | 177.8 | -167.9 | 11.9 | 0 | 0 | 0 | 114 | R187 | D185-R187 IonicContact OD2-CZ 3.35Å; D185-R187 IonicContact OD2-NE 3.27Å; D185-R187 PolarHBondContact OD2-NE 3.13Å; D185-R187 IonicContact OD2-NH2 2.79Å; D185-R187 PolarHBondContact OD2-NH2 3.43Å | ||
| 186 | K | 48.7 | Very low | 46 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -118.9 | 91.6 | 167.7 | -155.4 | 177 | -174 | -175.9 | 0 | 107.4 | T188 | K186-T188 PolarHBondContact O-N 2.95Š| ||
| 187 | R | 50.1 | Low | 46.2 | Very low | 201 Ų | 201 | 154.6 Ų | 154.6 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -64.6 | 126.2 | 169 | -72.6 | -180 | -140.6 | -110.8 | -12.9 | 109.6 | D185 | D185-R187 IonicContact OD2-CZ 3.35Å; D185-R187 IonicContact OD2-NE 3.27Å; D185-R187 PolarHBondContact OD2-NE 3.13Å; D185-R187 IonicContact OD2-NH2 2.79Å; D185-R187 PolarHBondContact OD2-NH2 3.43Å | ||
| 188 | T | 42.4 | Very low | 46.3 | Very low | 130 Ų | 130 | 152.4 Ų | 152.4 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -57.6 | 120.4 | 165.7 | -21.7 | 0 | 0 | 0 | 0 | 109.1 | K186 | K186-T188 PolarHBondContact O-N 2.95Š| ||
| 189 | D | 50.8 | Low | 46.3 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -116.4 | 116.6 | 151 | -81.5 | -37.5 | 0 | 0 | 0 | 107.8 | ||||
| 190 | D | 38.8 | Very low | 46.7 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 125.5 | 174.4 | 173.8 | 42.1 | 0 | 0 | 0 | 110.9 | ||||
| 191 | A | 48.8 | Very low | 46.3 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -164.6 | 86.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 192 | G | 43 | Very low | 46.7 | Very low | 74 Ų | 74 | 144.3 Ų | 144.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 28.5 | 107 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 193 | H | 47.1 | Very low | 46.9 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -100.5 | 104.5 | 151.8 | -170.9 | 69.2 | 0 | 0 | 0 | 108.2 | ||||
| 194 | D | 50.8 | Low | 47.7 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -128.8 | 133.6 | 158.7 | -160.6 | 21.2 | 0 | 0 | 0 | 110 | ||||
| 195 | Q | 47.7 | Very low | 47.6 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -80.6 | 121 | -170.5 | -66.9 | 173.5 | 46.8 | 0 | 0 | 109.7 | ||||
| 196 | K | 50.6 | Low | 48.1 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -152.9 | 100.5 | 160.2 | -162.3 | 140.7 | 177.5 | -175.9 | 0 | 113.4 | ||||
| 197 | V | 43 | Very low | 48.6 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | 21.2 | 113.8 | 138.3 | -143.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 198 | G | 44.1 | Very low | 49.2 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -179.9 | 78.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K200 | G198-K200 PolarHBondContact O-N 2.82Š| ||
| 199 | A | 39.2 | Very low | 50.4 | Low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -59.2 | 121.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 200 | K | 50.3 | Low | 51.6 | Low | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -164 | 99.5 | 158.7 | -107.7 | 169.6 | -173.5 | -172.4 | 0 | 110.4 | G198 | G198-K200 PolarHBondContact O-N 2.82Š| ||
| 201 | E | 40.2 | Very low | 53.5 | Low | 189 Ų | 189 | 123.2 Ų | 123.2 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | 38.5 | 115.5 | 132.8 | -65.7 | 173.5 | 152.2 | 0 | 0 | 119.1 | ||||
| 202 | G | 45.8 | Very low | 55 | Low | 76 Ų | 76 | 121.2 Ų | 121.2 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | trans | 96.9 | 54.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 203 | V | 56.8 | Low | 57.1 | Low | 136 Ų | 136 | 122.5 Ų | 122.5 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | trans | -91 | 118.6 | 165.9 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 204 | P | 57.4 | Low | 59.1 | Low | 77 Ų | 77 | 119 Ų | 119 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | trans | -69.7 | 149.8 | 178.3 | 29.4 | -32.9 | 0 | 0 | 0 | 110.4 | K206 | P204-K206 HydrophobicContact CB-CG 4.42Å; P204-K206 PolarHBondContact O-N 3.31Å | ||
| 205 | P | 57.7 | Low | 61 | Low | 104 Ų | 104 | 118.1 Ų | 118.1 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 16.3 | -173.5 | 28.4 | -35.5 | 0 | 0 | 0 | 115.4 | H207 A208 | P205-H207 PolarHBondContact O-N 3.12Å; P205-A208 PolarHBondContact O-N 3.37Å |
| 206 | K | 56.6 | Low | 63 | Low | 156 Ų | 156 | 118.4 Ų | 118.4 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.5 | -26.4 | -171.3 | -67.5 | -174.4 | 175.8 | -178.6 | 0 | 114.1 | P204 S210 | P204-K206 HydrophobicContact CB-CG 4.42Å; P204-K206 PolarHBondContact O-N 3.31Å; K206-S210 PolarHBondContact O-N 3.49Å |
| 207 | H | 59.9 | Low | 65 | Low | 148 Ų | 148 | 112 Ų | 112 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.4 | -32.9 | 178.6 | -108.4 | -73.2 | 0 | 0 | 0 | 113.4 | P205 S210 E211 | P205-H207 PolarHBondContact O-N 3.12Å; H207-S210 PolarHBondContact O-N 3.25Å; H207-S210 PolarHBondContact O-OG 2.98Å; H207-E211 PolarHBondContact O-N 3.43Å |
| 208 | A | 62.3 | Low | 67.5 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.2 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P205 A212 | P205-A208 PolarHBondContact O-N 3.37Å; A208-A212 PolarHBondContact O-N 3.26Å |
| 209 | Q | 67 | Low | 69.9 | Low | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.3 | -42.7 | 174.5 | -66 | -172.5 | -77.4 | 0 | 0 | 111.4 | E211 A212 D213 | Q209-E211 VanDerWaalsContact C-N 3.34Å; Q209-E211 PolarHBondContact O-N 2.88Å; Q209-A212 PolarHBondContact O-N 3.17Å; Q209-D213 WeakPolarHBondContact O-CB 3.48Å; Q209-D213 VanDerWaalsContact O-CG 3.23Å; Q209-D213 PolarHBondContact O-N 2.97Å |
| 210 | S | 76.7 | Confident | 72.6 | Confident | 45 Ų | 45 | 113.4 Ų | 113.4 | 32% | 0.315 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.7 | -33.7 | 179 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | K206 H207 N214 | K206-S210 PolarHBondContact O-N 3.49Å; H207-S210 PolarHBondContact O-N 3.25Å; H207-S210 PolarHBondContact O-OG 2.98Å; S210-N214 WeakPolarHBondContact O-CB 3.34Å; S210-N214 PolarHBondContact O-N 3.27Å; S210-N214 PolarHBondContact O-ND2 2.93Å |
| 211 | E | 77.7 | Confident | 74.7 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67 | -42.2 | 172.6 | -75.8 | -168.9 | -174.8 | 0 | 0 | 112.7 | H207 Q209 N214 K215 | H207-E211 PolarHBondContact O-N 3.43Å; Q209-E211 VanDerWaalsContact C-N 3.34Å; Q209-E211 PolarHBondContact O-N 2.88Å; E211-N214 PolarHBondContact O-N 3.37Å; E211-K215 WeakPolarHBondContact O-CB 3.48Å; E211-K215 VanDerWaalsContact O-CG 3.27Å; E211-K215 WeakPolarHBondContact O-CG 3.4Å; E211-K215 PolarHBondContact O-N 2.87Å; E211-K215 IonicContact OE2-NZ 3.49Å |
| 212 | A | 81.7 | Confident | 77.4 | Confident | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | A208 Q209 K215 R216 | A208-A212 PolarHBondContact O-N 3.26Å; Q209-A212 PolarHBondContact O-N 3.17Å; A212-K215 PolarHBondContact O-N 3.47Å; A212-R216 WeakPolarHBondContact O-CB 3.5Å; A212-R216 PolarHBondContact O-N 3.23Å |
| 213 | D | 86.7 | Confident | 79.9 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -41.8 | 176.3 | -69.2 | -28.2 | 0 | 0 | 0 | 111.6 | Q209 R216 A217 | Q209-D213 WeakPolarHBondContact O-CB 3.48Å; Q209-D213 VanDerWaalsContact O-CG 3.23Å; Q209-D213 PolarHBondContact O-N 2.97Å; D213-R216 PolarHBondContact O-N 3.32Å; D213-A217 WeakPolarHBondContact O-CB 3.33Å; D213-A217 PolarHBondContact O-N 3.28Å |
| 214 | N | 88.2 | Confident | 81.8 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.5 | -89.1 | -72.4 | 0 | 0 | 0 | 112.5 | S210 E211 A217 K218 | S210-N214 WeakPolarHBondContact O-CB 3.34Å; S210-N214 PolarHBondContact O-N 3.27Å; S210-N214 PolarHBondContact O-ND2 2.93Å; E211-N214 PolarHBondContact O-N 3.37Å; N214-A217 PolarHBondContact O-N 2.99Å; N214-K218 WeakPolarHBondContact O-CG 3.39Å; N214-K218 PolarHBondContact O-N 3.05Å |
| 215 | K | 90.6 | Very high | 83.7 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 176.2 | -73.9 | 167.9 | -175.5 | 168 | 0 | 110.8 | E211 A212 K218 Q219 | E211-K215 WeakPolarHBondContact O-CB 3.48Å; E211-K215 VanDerWaalsContact O-CG 3.27Å; E211-K215 WeakPolarHBondContact O-CG 3.4Å; E211-K215 PolarHBondContact O-N 2.87Å; E211-K215 IonicContact OE2-NZ 3.49Å; A212-K215 PolarHBondContact O-N 3.47Å; K215-K218 PolarHBondContact O-N 3.15Å; K215-Q219 WeakPolarHBondContact O-CB 3.26Å; K215-Q219 PolarHBondContact O-N 3.05Å |
| 216 | R | 91.1 | Very high | 85.6 | Confident | 163 Ų | 163 | 105.2 Ų | 105.2 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 175.5 | -172.8 | 172.9 | -179.2 | -96.2 | -1.8 | 111.7 | A212 D213 Q219 Q220 | A212-R216 WeakPolarHBondContact O-CB 3.5Å; A212-R216 PolarHBondContact O-N 3.23Å; D213-R216 PolarHBondContact O-N 3.32Å; R216-Q219 WeakPolarHBondContact O-CB 3.43Å; R216-Q219 PolarHBondContact O-N 3.49Å; R216-Q220 VanDerWaalsContact O-CG 3.3Å; R216-Q220 WeakPolarHBondContact O-CG 3.42Å; R216-Q220 PolarHBondContact O-N 3.03Å |
| 217 | A | 91.6 | Very high | 87.6 | Confident | 58 Ų | 58 | 100 Ų | 100 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D213 N214 Q219 Q220 Y221 | D213-A217 WeakPolarHBondContact O-CB 3.33Å; D213-A217 PolarHBondContact O-N 3.28Å; N214-A217 PolarHBondContact O-N 2.99Å; A217-Q219 VanDerWaalsContact C-N 3.34Å; A217-Q219 PolarHBondContact O-N 2.62Å; A217-Q220 PolarHBondContact O-N 3.45Å; A217-Y221 PolarHBondContact O-N 3.27Å |
| 218 | K | 95 | Very high | 89.4 | Confident | 156 Ų | 156 | 99.1 Ų | 99.1 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 175.3 | -72.7 | 178.8 | -179.2 | -178.4 | 0 | 112.2 | N214 K215 Y221 A222 | N214-K218 WeakPolarHBondContact O-CG 3.39Å; N214-K218 PolarHBondContact O-N 3.05Å; K215-K218 PolarHBondContact O-N 3.15Å; K218-Y221 PolarHBondContact O-N 2.95Å; K218-A222 WeakPolarHBondContact O-CB 3.44Å; K218-A222 PolarHBondContact O-N 3.42Å |
| 219 | Q | 95 | Very high | 91.2 | Very high | 128 Ų | 128 | 102.4 Ų | 102.4 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 174.7 | -175.4 | -177.5 | 8.8 | 0 | 0 | 111.4 | K215 R216 A217 A222 Q223 | K215-Q219 WeakPolarHBondContact O-CB 3.26Å; K215-Q219 PolarHBondContact O-N 3.05Å; R216-Q219 WeakPolarHBondContact O-CB 3.43Å; R216-Q219 PolarHBondContact O-N 3.49Å; A217-Q219 VanDerWaalsContact C-N 3.34Å; A217-Q219 PolarHBondContact O-N 2.62Å; Q219-A222 PolarHBondContact O-N 2.86Å; Q219-Q223 WeakPolarHBondContact O-CB 3.22Å; Q219-Q223 PolarHBondContact O-N 2.89Å |
| 220 | Q | 95.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 101.2 Ų | 101.2 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.4 | -69.5 | -62 | -50.7 | 0 | 0 | 111.3 | R216 A217 A222 Q223 R224 | R216-Q220 VanDerWaalsContact O-CG 3.3Å; R216-Q220 WeakPolarHBondContact O-CG 3.42Å; R216-Q220 PolarHBondContact O-N 3.03Å; A217-Q220 PolarHBondContact O-N 3.45Å; Q220-A222 PolarHBondContact O-N 2.96Å; Q220-Q223 WeakPolarHBondContact O-CB 3.4Å; Q220-Q223 PolarHBondContact O-N 3.33Å; Q220-R224 VanDerWaalsContact O-CG 3.31Å; Q220-R224 WeakPolarHBondContact O-CG 3.4Å; Q220-R224 PolarHBondContact O-N 3.22Å |
| 221 | Y | 95.5 | Very high | 93.7 | Very high | 164 Ų | 164 | 103.1 Ų | 103.1 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 176.1 | -178.6 | -96.7 | 0 | 0 | 0 | 112.7 | A217 K218 Q223 R224 S225 | A217-Y221 PolarHBondContact O-N 3.27Å; K218-Y221 PolarHBondContact O-N 2.95Å; Y221-Q223 VanDerWaalsContact C-N 3.32Å; Y221-Q223 PolarHBondContact O-N 3.37Å; Y221-R224 PolarHBondContact O-N 2.93Å; Y221-S225 WeakPolarHBondContact O-CB 3.39Å; Y221-S225 PolarHBondContact O-N 3.03Å |
| 222 | A | 96.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K218 Q219 Q220 S225 R226 | K218-A222 WeakPolarHBondContact O-CB 3.44Å; K218-A222 PolarHBondContact O-N 3.42Å; Q219-A222 PolarHBondContact O-N 2.86Å; Q220-A222 PolarHBondContact O-N 2.96Å; A222-S225 PolarHBondContact O-N 3.32Å; A222-R226 WeakPolarHBondContact O-CB 3.37Å; A222-R226 PolarHBondContact O-N 3.37Å |
| 223 | Q | 97.8 | Very high | 95.5 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 174.3 | -177.9 | 178.9 | -4.7 | 0 | 0 | 111.2 | Q219 Q220 Y221 S225 R226 V227 | Q219-Q223 WeakPolarHBondContact O-CB 3.22Å; Q219-Q223 PolarHBondContact O-N 2.89Å; Q220-Q223 WeakPolarHBondContact O-CB 3.4Å; Q220-Q223 PolarHBondContact O-N 3.33Å; Y221-Q223 VanDerWaalsContact C-N 3.32Å; Y221-Q223 PolarHBondContact O-N 3.37Å; Q223-S225 PolarHBondContact O-N 3.5Å; Q223-R226 WeakPolarHBondContact O-CB 3.49Å; Q223-R226 PolarHBondContact O-N 2.98Å; Q223-V227 WeakPolarHBondContact O-CG2 3.33Å; Q223-V227 PolarHBondContact O-N 3.35Å |
| 224 | R | 96.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 103.4 Ų | 103.4 | 20% | 0.204 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.9 | -69.1 | -172.1 | -177.5 | -142.7 | 11.8 | 112.4 | L67 E70 Q220 Y221 R226 V227 R228 | L67-R224 HydrophobicContact CD2-CG 3.52Å; E70-R224 IonicContact OE1-NH2 3.78Å; E70-R224 IonicContact OE2-CZ 3.96Å; E70-R224 IonicContact OE2-NH1 2.8Å; E70-R224 PolarHBondContact OE2-NH1 3.23Å; E70-R224 IonicContact OE2-NH2 3.7Å; E70-R224 PolarHBondContact OE2-NH2 3.41Å; Q220-R224 VanDerWaalsContact O-CG 3.31Å; Q220-R224 WeakPolarHBondContact O-CG 3.4Å; Q220-R224 PolarHBondContact O-N 3.22Å; Y221-R224 PolarHBondContact O-N 2.93Å; R224-R226 VanDerWaalsContact C-N 3.32Å; R224-R226 PolarHBondContact O-N 2.96Å; R224-V227 PolarHBondContact O-N 3.44Å; R224-R228 WeakPolarHBondContact O-CG 3.23Å; R224-R228 PolarHBondContact O-N 3.45Å |
| 225 | S | 97.7 | Very high | 96.6 | Very high | 36 Ų | 36 | 103 Ų | 103 | 25% | 0.252 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | Y221 A222 Q223 R228 K229 | Y221-S225 WeakPolarHBondContact O-CB 3.39Å; Y221-S225 PolarHBondContact O-N 3.03Å; A222-S225 PolarHBondContact O-N 3.32Å; Q223-S225 PolarHBondContact O-N 3.5Å; S225-R228 PolarHBondContact O-N 3.42Å; S225-K229 WeakPolarHBondContact O-CG 3.47Å; S225-K229 PolarHBondContact O-N 3.08Å |
| 226 | R | 98.4 | Very high | 96.9 | Very high | 180 Ų | 180 | 99.6 Ų | 99.6 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 174.7 | -177.1 | 179.5 | 178.8 | -167.1 | -1.2 | 111.7 | A222 Q223 R224 K229 L230 | A222-R226 WeakPolarHBondContact O-CB 3.37Å; A222-R226 PolarHBondContact O-N 3.37Å; Q223-R226 WeakPolarHBondContact O-CB 3.49Å; Q223-R226 PolarHBondContact O-N 2.98Å; R224-R226 VanDerWaalsContact C-N 3.32Å; R224-R226 PolarHBondContact O-N 2.96Å; R226-K229 PolarHBondContact O-N 3.44Å; R226-L230 HydrophobicContact CG-CD1 4.13Å; R226-L230 WeakPolarHBondContact O-CG 3.13Å; R226-L230 PolarHBondContact O-N 3.38Å |
| 227 | V | 98.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 97.1 Ų | 97.1 | 29% | 0.285 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 178.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | Q223 R224 K229 L230 Q231 | Q223-V227 WeakPolarHBondContact O-CG2 3.33Å; Q223-V227 PolarHBondContact O-N 3.35Å; R224-V227 PolarHBondContact O-N 3.44Å; V227-K229 VanDerWaalsContact C-N 3.33Å; V227-K229 PolarHBondContact O-N 2.97Å; V227-L230 PolarHBondContact O-N 2.92Å; V227-Q231 PolarHBondContact O-N 2.98Å |
| 228 | R | 98.2 | Very high | 97.6 | Very high | 128 Ų | 128 | 97.8 Ų | 97.8 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.2 | -69.6 | -179.7 | -165.6 | 143.1 | -0.1 | 112.7 | R224 S225 Q231 Y232 | R224-R228 WeakPolarHBondContact O-CG 3.23Å; R224-R228 PolarHBondContact O-N 3.45Å; S225-R228 PolarHBondContact O-N 3.42Å; R228-Q231 PolarHBondContact O-N 3.36Å; R228-Y232 WeakPolarHBondContact O-CB 3.38Å; R228-Y232 PolarHBondContact O-N 2.96Å |
| 229 | K | 98.5 | Very high | 97.8 | Very high | 139 Ų | 139 | 96.7 Ų | 96.7 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.7 | -75.3 | -179.7 | -179 | -175.1 | 0 | 111.9 | S225 R226 V227 Y232 I233 | S225-K229 WeakPolarHBondContact O-CG 3.47Å; S225-K229 PolarHBondContact O-N 3.08Å; R226-K229 PolarHBondContact O-N 3.44Å; V227-K229 VanDerWaalsContact C-N 3.33Å; V227-K229 PolarHBondContact O-N 2.97Å; K229-Y232 PolarHBondContact O-N 2.95Å; K229-I233 WeakPolarHBondContact O-CD1 3.47Å; K229-I233 VanDerWaalsContact O-CG1 3.25Å; K229-I233 WeakPolarHBondContact O-CG1 3.44Å; K229-I233 PolarHBondContact O-N 3.24Å |
| 230 | L | 98.5 | Very high | 98 | Very high | 97 Ų | 97 | 94.1 Ų | 94.1 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.7 | -71.1 | 171.3 | 0 | 0 | 0 | 111.7 | R226 V227 I233 A234 | R226-L230 HydrophobicContact CG-CD1 4.13Å; R226-L230 WeakPolarHBondContact O-CG 3.13Å; R226-L230 PolarHBondContact O-N 3.38Å; V227-L230 PolarHBondContact O-N 2.92Å; L230-I233 PolarHBondContact O-N 3.22Å; L230-A234 PolarHBondContact O-N 3.42Å |
| 231 | Q | 98.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 97 Ų | 97 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 174.5 | -175.3 | 178.2 | 4.1 | 0 | 0 | 111.8 | V227 R228 I233 A234 E235 | V227-Q231 PolarHBondContact O-N 2.98Å; R228-Q231 PolarHBondContact O-N 3.36Å; Q231-I233 VanDerWaalsContact C-N 3.33Å; Q231-I233 PolarHBondContact O-N 2.89Å; Q231-A234 PolarHBondContact O-N 3.4Å; Q231-E235 WeakPolarHBondContact O-CB 3.44Å; Q231-E235 PolarHBondContact O-N 2.94Å |
| 232 | Y | 98.8 | Very high | 98.3 | Very high | 139 Ų | 139 | 91.6 Ų | 91.6 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 176.2 | 179.5 | -114.3 | 0 | 0 | 0 | 112.4 | R228 K229 E235 L236 | R228-Y232 WeakPolarHBondContact O-CB 3.38Å; R228-Y232 PolarHBondContact O-N 2.96Å; K229-Y232 PolarHBondContact O-N 2.95Å; Y232-E235 PolarHBondContact O-N 3.23Å; Y232-L236 HydrophobicContact CD1-CD1 4Å; Y232-L236 HydrophobicContact CD2-CG 4.47Å; Y232-L236 HydrophobicContact CE1-CD1 3.46Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.46Å; Y232-L236 HydrophobicContact CE1-CG 4.2Å; Y232-L236 HydrophobicContact CE2-CD1 4.22Å; Y232-L236 HydrophobicContact CE2-CD2 4.25Å; Y232-L236 HydrophobicContact CE2-CG 4.08Å; Y232-L236 WeakPolarHBondContact O-CG 3.42Å; Y232-L236 PolarHBondContact O-N 3.38Å |
| 233 | I | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 94.2 Ų | 94.2 | 41% | 0.41 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 174.1 | -68.8 | 163.6 | 0 | 0 | 0 | 110.3 | K229 L230 Q231 E235 L236 E237 | K229-I233 WeakPolarHBondContact O-CD1 3.47Å; K229-I233 VanDerWaalsContact O-CG1 3.25Å; K229-I233 WeakPolarHBondContact O-CG1 3.44Å; K229-I233 PolarHBondContact O-N 3.24Å; L230-I233 PolarHBondContact O-N 3.22Å; Q231-I233 VanDerWaalsContact C-N 3.33Å; Q231-I233 PolarHBondContact O-N 2.89Å; I233-E235 VanDerWaalsContact C-N 3.32Å; I233-E235 PolarHBondContact O-N 3.46Å; I233-L236 PolarHBondContact O-N 2.93Å; I233-E237 HydrophobicContact CG2-CG 4.34Å; I233-E237 WeakPolarHBondContact O-CG 3.22Å; I233-E237 PolarHBondContact O-N 3.35Å |
| 234 | A | 98.4 | Very high | 98.4 | Very high | 52 Ų | 52 | 95 Ų | 95 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L230 Q231 E237 S238 | L230-A234 PolarHBondContact O-N 3.42Å; Q231-A234 PolarHBondContact O-N 3.4Å; A234-E237 PolarHBondContact O-N 2.92Å; A234-S238 WeakPolarHBondContact O-CB 3.47Å; A234-S238 PolarHBondContact O-N 2.98Å |
| 235 | E | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 96.1 Ų | 96.1 | 40% | 0.402 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.2 | -176.5 | 178.6 | -169.4 | 0 | 0 | 111.9 | Q231 Y232 I233 S238 R239 | Q231-E235 WeakPolarHBondContact O-CB 3.44Å; Q231-E235 PolarHBondContact O-N 2.94Å; Y232-E235 PolarHBondContact O-N 3.23Å; I233-E235 VanDerWaalsContact C-N 3.32Å; I233-E235 PolarHBondContact O-N 3.46Å; E235-S238 PolarHBondContact O-N 2.93Å; E235-R239 VanDerWaalsContact O-CG 3.28Å; E235-R239 WeakPolarHBondContact O-CG 3.44Å; E235-R239 PolarHBondContact O-N 3.36Å; E235-R239 IonicContact OE1-CZ 2.71Å; E235-R239 VanDerWaalsContact OE1-CZ 3.31Å; E235-R239 IonicContact OE1-NE 3.21Å; E235-R239 PolarHBondContact OE1-NE 3.43Å; E235-R239 IonicContact OE1-NH2 3.13Å; E235-R239 PolarHBondContact OE1-NH2 3.19Å |
| 236 | L | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 99.6 Ų | 99.6 | 36% | 0.356 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 174.8 | -74.3 | 179.1 | 0 | 0 | 0 | 111.9 | Y232 I233 R239 V240 | Y232-L236 HydrophobicContact CD1-CD1 4Å; Y232-L236 HydrophobicContact CD2-CG 4.47Å; Y232-L236 HydrophobicContact CE1-CD1 3.46Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.46Å; Y232-L236 HydrophobicContact CE1-CG 4.2Å; Y232-L236 HydrophobicContact CE2-CD1 4.22Å; Y232-L236 HydrophobicContact CE2-CD2 4.25Å; Y232-L236 HydrophobicContact CE2-CG 4.08Å; Y232-L236 WeakPolarHBondContact O-CG 3.42Å; Y232-L236 PolarHBondContact O-N 3.38Å; I233-L236 PolarHBondContact O-N 2.93Å; L236-R239 PolarHBondContact O-N 2.96Å; L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 3.48Å |
| 237 | E | 98.7 | Very high | 98.5 | Very high | 111 Ų | 111 | 92.7 Ų | 92.7 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.7 | -72.9 | 173.4 | 162.4 | 0 | 0 | 111.3 | I233 A234 V240 Q241 | I233-E237 HydrophobicContact CG2-CG 4.34Å; I233-E237 WeakPolarHBondContact O-CG 3.22Å; I233-E237 PolarHBondContact O-N 3.35Å; A234-E237 PolarHBondContact O-N 2.92Å; E237-V240 PolarHBondContact O-N 3.32Å; E237-Q241 WeakPolarHBondContact O-CG 3.27Å; E237-Q241 PolarHBondContact O-N 3.31Å |
| 238 | S | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 95.4 Ų | 95.4 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | A234 E235 V240 Q241 A242 | A234-S238 WeakPolarHBondContact O-CB 3.47Å; A234-S238 PolarHBondContact O-N 2.98Å; E235-S238 PolarHBondContact O-N 2.93Å; S238-V240 PolarHBondContact O-N 2.83Å; S238-Q241 PolarHBondContact O-N 3.22Å; S238-A242 PolarHBondContact O-N 2.94Å |
| 239 | R | 98.7 | Very high | 98.5 | Very high | 133 Ų | 133 | 95.1 Ų | 95.1 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.9 | -71.9 | 172.8 | -176.3 | -165.7 | 1.5 | 112.5 | E235 L236 A242 L243 | E235-R239 VanDerWaalsContact O-CG 3.28Å; E235-R239 WeakPolarHBondContact O-CG 3.44Å; E235-R239 PolarHBondContact O-N 3.36Å; E235-R239 IonicContact OE1-CZ 2.71Å; E235-R239 VanDerWaalsContact OE1-CZ 3.31Å; E235-R239 IonicContact OE1-NE 3.21Å; E235-R239 PolarHBondContact OE1-NE 3.43Å; E235-R239 IonicContact OE1-NH2 3.13Å; E235-R239 PolarHBondContact OE1-NH2 3.19Å; L236-R239 PolarHBondContact O-N 2.96Å; R239-A242 PolarHBondContact O-N 3.37Å; R239-L243 WeakPolarHBondContact O-CB 3.45Å; R239-L243 VanDerWaalsContact O-CG 3.3Å; R239-L243 WeakPolarHBondContact O-CG 3.4Å; R239-L243 PolarHBondContact O-N 3.42Å |
| 240 | V | 98.8 | Very high | 98.5 | Very high | 74 Ų | 74 | 92.3 Ų | 92.3 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.5 | 168 | 0 | 0 | 0 | 0 | 110.5 | L236 E237 S238 L243 Q244 | L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 3.48Å; E237-V240 PolarHBondContact O-N 3.32Å; S238-V240 PolarHBondContact O-N 2.83Å; V240-L243 PolarHBondContact O-N 3.49Å; V240-Q244 HydrophobicContact CG1-CG 4.36Å; V240-Q244 WeakPolarHBondContact O-CB 3.48Å; V240-Q244 VanDerWaalsContact O-CG 3.23Å; V240-Q244 WeakPolarHBondContact O-CG 3.34Å; V240-Q244 PolarHBondContact O-N 2.96Å |
| 241 | Q | 98.7 | Very high | 98.5 | Very high | 128 Ų | 128 | 90.2 Ų | 90.2 | 60% | 0.598 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 175.8 | -70.9 | 172.7 | 10.3 | 0 | 0 | 111.9 | E237 S238 Q244 S245 | E237-Q241 WeakPolarHBondContact O-CG 3.27Å; E237-Q241 PolarHBondContact O-N 3.31Å; S238-Q241 PolarHBondContact O-N 3.22Å; Q241-Q244 PolarHBondContact O-N 3.44Å; Q241-S245 PolarHBondContact O-N 2.88Å |
| 242 | A | 98.4 | Very high | 98.5 | Very high | 52 Ų | 52 | 88.9 Ų | 88.9 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S238 R239 Q244 S245 E246 | S238-A242 PolarHBondContact O-N 2.94Å; R239-A242 PolarHBondContact O-N 3.37Å; A242-Q244 VanDerWaalsContact C-N 3.32Å; A242-Q244 PolarHBondContact O-N 3.33Å; A242-S245 PolarHBondContact O-N 2.63Å; A242-S245 VanDerWaalsContact O-N 3.15Å; A242-S245 PolarHBondContact O-OG 3.05Å; A242-E246 PolarHBondContact O-N 3.38Å |
| 243 | L | 98.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 87.5 Ų | 87.5 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.1 | -35.3 | 177.1 | -71.8 | 172.5 | 0 | 0 | 0 | 112.9 | R239 V240 G247 | R239-L243 WeakPolarHBondContact O-CB 3.45Å; R239-L243 VanDerWaalsContact O-CG 3.3Å; R239-L243 WeakPolarHBondContact O-CG 3.4Å; R239-L243 PolarHBondContact O-N 3.42Å; V240-L243 PolarHBondContact O-N 3.49Å; L243-G247 PolarHBondContact O-N 3.01Å |
| 244 | Q | 98.6 | Very high | 98.6 | Very high | 122 Ų | 122 | 89.4 Ų | 89.4 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -42.4 | 174 | -78.3 | 174.6 | -12.2 | 0 | 0 | 111.4 | V240 Q241 A242 G247 V248 | V240-Q244 HydrophobicContact CG1-CG 4.36Å; V240-Q244 WeakPolarHBondContact O-CB 3.48Å; V240-Q244 VanDerWaalsContact O-CG 3.23Å; V240-Q244 WeakPolarHBondContact O-CG 3.34Å; V240-Q244 PolarHBondContact O-N 2.96Å; Q241-Q244 PolarHBondContact O-N 3.44Å; A242-Q244 VanDerWaalsContact C-N 3.32Å; A242-Q244 PolarHBondContact O-N 3.33Å; Q244-G247 PolarHBondContact O-N 2.86Å; Q244-V248 WeakPolarHBondContact O-CG2 3.4Å; Q244-V248 PolarHBondContact O-N 3.09Å |
| 245 | S | 98.2 | Very high | 98.6 | Very high | 77 Ų | 77 | 92.9 Ų | 92.9 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 177.2 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | Q241 A242 G247 V248 E249 | Q241-S245 PolarHBondContact O-N 2.88Å; A242-S245 PolarHBondContact O-N 2.63Å; A242-S245 VanDerWaalsContact O-N 3.15Å; A242-S245 PolarHBondContact O-OG 3.05Å; S245-G247 VanDerWaalsContact C-N 3.34Å; S245-G247 PolarHBondContact O-N 3.1Å; S245-V248 PolarHBondContact O-N 3.02Å; S245-E249 PolarHBondContact O-N 3.21Å; S245-E249 VanDerWaalsContact O-N 3.08Å |
| 246 | E | 98.3 | Very high | 98.6 | Very high | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.7 | -174.1 | -176.6 | 172.4 | 0 | 0 | 111.1 | A242 V248 E249 V250 | A242-E246 PolarHBondContact O-N 3.38Å; E246-V248 VanDerWaalsContact C-N 3.3Å; E246-V248 PolarHBondContact O-N 3.4Å; E246-E249 PolarHBondContact O-N 3.22Å; E246-V250 HydrophobicContact CG-CG2 4.42Å; E246-V250 WeakPolarHBondContact O-CG2 3.43Å; E246-V250 PolarHBondContact O-N 3.26Å |
| 247 | G | 98.5 | Very high | 98.6 | Very high | 36 Ų | 36 | 96.6 Ų | 96.6 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L243 Q244 S245 S251 | L243-G247 PolarHBondContact O-N 3.01Å; Q244-G247 PolarHBondContact O-N 2.86Å; S245-G247 VanDerWaalsContact C-N 3.34Å; S245-G247 PolarHBondContact O-N 3.1Å; G247-S251 VanDerWaalsContact O-CB 3.31Å; G247-S251 WeakPolarHBondContact O-CB 3.5Å; G247-S251 PolarHBondContact O-N 3.49Å; G247-S251 VanDerWaalsContact O-N 3.07Å; G247-S251 PolarHBondContact O-OG 2.72Å |
| 248 | V | 98.4 | Very high | 98.6 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.3 | -42 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | Q244 S245 E246 S251 A252 | Q244-V248 WeakPolarHBondContact O-CG2 3.4Å; Q244-V248 PolarHBondContact O-N 3.09Å; S245-V248 PolarHBondContact O-N 3.02Å; E246-V248 VanDerWaalsContact C-N 3.3Å; E246-V248 PolarHBondContact O-N 3.4Å; V248-S251 PolarHBondContact O-N 3Å; V248-A252 PolarHBondContact O-N 3.37Å |
| 249 | E | 98.3 | Very high | 98.6 | Very high | 122 Ų | 122 | 96.8 Ų | 96.8 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -51.5 | 177.1 | -175.5 | 175.1 | 179.4 | 0 | 0 | 111.8 | S245 E246 S251 A252 E253 | S245-E249 PolarHBondContact O-N 3.21Å; S245-E249 VanDerWaalsContact O-N 3.08Å; E246-E249 PolarHBondContact O-N 3.22Å; E249-S251 PolarHBondContact O-N 3.39Å; E249-A252 WeakPolarHBondContact O-CB 3.49Å; E249-A252 PolarHBondContact O-N 2.94Å; E249-E253 PolarHBondContact O-N 3.29Å |
| 250 | V | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 94.2 Ų | 94.2 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -36.7 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | E246 E253 M254 | E246-V250 HydrophobicContact CG-CG2 4.42Å; E246-V250 WeakPolarHBondContact O-CG2 3.43Å; E246-V250 PolarHBondContact O-N 3.26Å; V250-E253 PolarHBondContact O-N 3.13Å; V250-M254 WeakPolarHBondContact O-CB 3.43Å; V250-M254 PolarHBondContact O-N 3.27Å |
| 251 | S | 98.3 | Very high | 98.6 | Very high | 54 Ų | 54 | 95.3 Ų | 95.3 | 38% | 0.378 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | G247 V248 E249 M254 E255 | G247-S251 VanDerWaalsContact O-CB 3.31Å; G247-S251 WeakPolarHBondContact O-CB 3.5Å; G247-S251 PolarHBondContact O-N 3.49Å; G247-S251 VanDerWaalsContact O-N 3.07Å; G247-S251 PolarHBondContact O-OG 2.72Å; V248-S251 PolarHBondContact O-N 3Å; E249-S251 PolarHBondContact O-N 3.39Å; S251-M254 PolarHBondContact O-N 3.37Å; S251-E255 WeakPolarHBondContact O-CG 3.35Å; S251-E255 PolarHBondContact O-N 2.85Å |
| 252 | A | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V248 E249 E255 F256 | V248-A252 PolarHBondContact O-N 3.37Å; E249-A252 WeakPolarHBondContact O-CB 3.49Å; E249-A252 PolarHBondContact O-N 2.94Å; A252-E255 PolarHBondContact O-N 3.49Å; A252-F256 WeakPolarHBondContact O-CB 3.39Å; A252-F256 PolarHBondContact O-N 3.28Å |
| 253 | E | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 97.6 Ų | 97.6 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.1 | -70.1 | -171 | 164.7 | 0 | 0 | 112.2 | E249 V250 E255 F256 L257 | E249-E253 PolarHBondContact O-N 3.29Å; V250-E253 PolarHBondContact O-N 3.13Å; E253-E255 PolarHBondContact O-N 3.17Å; E253-F256 PolarHBondContact O-N 2.99Å; E253-L257 WeakPolarHBondContact O-CG 3.48Å; E253-L257 PolarHBondContact O-N 2.88Å |
| 254 | M | 98.8 | Very high | 98.6 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 176.6 | 177.9 | 179.2 | 52.6 | 0 | 0 | 111.7 | V250 S251 L257 S258 | V250-M254 WeakPolarHBondContact O-CB 3.43Å; V250-M254 PolarHBondContact O-N 3.27Å; S251-M254 PolarHBondContact O-N 3.37Å; M254-L257 PolarHBondContact O-N 2.99Å; M254-S258 VanDerWaalsContact O-CB 3.3Å; M254-S258 WeakPolarHBondContact O-CB 3.32Å; M254-S258 PolarHBondContact O-N 3.47Å |
| 255 | E | 98.7 | Very high | 98.6 | Very high | 125 Ų | 125 | 93.5 Ų | 93.5 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 175 | -74.3 | -178.6 | -173.9 | 0 | 0 | 111.9 | S251 A252 E253 S258 Q259 | S251-E255 WeakPolarHBondContact O-CG 3.35Å; S251-E255 PolarHBondContact O-N 2.85Å; A252-E255 PolarHBondContact O-N 3.49Å; E253-E255 PolarHBondContact O-N 3.17Å; E255-S258 WeakPolarHBondContact O-CB 3.38Å; E255-S258 PolarHBondContact O-N 2.9Å; E255-Q259 VanDerWaalsContact O-CG 3.32Å; E255-Q259 WeakPolarHBondContact O-CG 3.46Å; E255-Q259 PolarHBondContact O-N 3.48Å |
| 256 | F | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 95 Ų | 95 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.5 | 174.1 | -114.4 | 0 | 0 | 0 | 112.5 | A252 E253 S258 Q259 Q260 | A252-F256 WeakPolarHBondContact O-CB 3.39Å; A252-F256 PolarHBondContact O-N 3.28Å; E253-F256 PolarHBondContact O-N 2.99Å; F256-S258 VanDerWaalsContact C-N 3.33Å; F256-Q259 PolarHBondContact O-N 3.21Å; F256-Q260 VanDerWaalsContact CD1-NE2 3.34Å; F256-Q260 HydrophobicContact CE2-CG 4.35Å; F256-Q260 HydrophobicContact CZ-CG 4.28Å; F256-Q260 PolarHBondContact O-N 3.33Å |
| 257 | L | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 95.1 Ų | 95.1 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -37.5 | 175.7 | -72.5 | 173.6 | 0 | 0 | 0 | 112 | E253 M254 Q260 N261 | E253-L257 WeakPolarHBondContact O-CG 3.48Å; E253-L257 PolarHBondContact O-N 2.88Å; M254-L257 PolarHBondContact O-N 2.99Å; L257-Q260 PolarHBondContact O-N 2.96Å; L257-N261 WeakPolarHBondContact O-CB 3.34Å; L257-N261 PolarHBondContact O-N 3.21Å |
| 258 | S | 98.7 | Very high | 98.7 | Very high | 66 Ų | 66 | 96.7 Ų | 96.7 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | M254 E255 F256 Q260 N261 I262 | M254-S258 VanDerWaalsContact O-CB 3.3Å; M254-S258 WeakPolarHBondContact O-CB 3.32Å; M254-S258 PolarHBondContact O-N 3.47Å; E255-S258 WeakPolarHBondContact O-CB 3.38Å; E255-S258 PolarHBondContact O-N 2.9Å; F256-S258 VanDerWaalsContact C-N 3.33Å; S258-Q260 PolarHBondContact O-N 3.32Å; S258-N261 WeakPolarHBondContact O-CB 3.44Å; S258-N261 PolarHBondContact O-N 3.33Å; S258-I262 WeakPolarHBondContact O-CG1 3.37Å; S258-I262 PolarHBondContact O-N 3.5Å |
| 259 | Q | 98.7 | Very high | 98.7 | Very high | 122 Ų | 122 | 96.2 Ų | 96.2 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | 175.9 | -70.3 | 172.3 | 16.2 | 0 | 0 | 112.5 | E255 F256 N261 I262 M263 | E255-Q259 VanDerWaalsContact O-CG 3.32Å; E255-Q259 WeakPolarHBondContact O-CG 3.46Å; E255-Q259 PolarHBondContact O-N 3.48Å; F256-Q259 PolarHBondContact O-N 3.21Å; Q259-N261 VanDerWaalsContact C-N 3.35Å; Q259-I262 PolarHBondContact O-N 3.37Å; Q259-M263 PolarHBondContact O-N 3.43Å; Q259-M263 VanDerWaalsContact O-N 3.09Å |
| 260 | Q | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 174.3 | -78.4 | -171.8 | 75.3 | 0 | 0 | 112.4 | F256 L257 S258 I262 M263 L264 | F256-Q260 VanDerWaalsContact CD1-NE2 3.34Å; F256-Q260 HydrophobicContact CE2-CG 4.35Å; F256-Q260 HydrophobicContact CZ-CG 4.28Å; F256-Q260 PolarHBondContact O-N 3.33Å; L257-Q260 PolarHBondContact O-N 2.96Å; S258-Q260 PolarHBondContact O-N 3.32Å; Q260-I262 VanDerWaalsContact C-N 3.35Å; Q260-I262 PolarHBondContact O-N 2.91Å; Q260-M263 WeakPolarHBondContact O-CB 3.47Å; Q260-M263 PolarHBondContact O-N 2.93Å; Q260-L264 WeakPolarHBondContact O-CG 3.47Å; Q260-L264 PolarHBondContact O-N 3.39Å |
| 261 | N | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 93.6 Ų | 93.6 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.8 | -166.5 | -44.1 | 0 | 0 | 0 | 111.2 | L257 S258 Q259 M263 L264 D265 | L257-N261 WeakPolarHBondContact O-CB 3.34Å; L257-N261 PolarHBondContact O-N 3.21Å; S258-N261 WeakPolarHBondContact O-CB 3.44Å; S258-N261 PolarHBondContact O-N 3.33Å; Q259-N261 VanDerWaalsContact C-N 3.35Å; N261-M263 VanDerWaalsContact C-N 3.32Å; N261-M263 PolarHBondContact O-N 3.4Å; N261-L264 PolarHBondContact O-N 2.95Å; N261-D265 WeakPolarHBondContact O-CB 3.41Å; N261-D265 PolarHBondContact O-N 3.07Å |
| 262 | I | 98.7 | Very high | 98.8 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 174.4 | -67 | 165.4 | 0 | 0 | 0 | 111.1 | S258 Q259 Q260 D265 L266 | S258-I262 WeakPolarHBondContact O-CG1 3.37Å; S258-I262 PolarHBondContact O-N 3.5Å; Q259-I262 PolarHBondContact O-N 3.37Å; Q260-I262 VanDerWaalsContact C-N 3.35Å; Q260-I262 PolarHBondContact O-N 2.91Å; I262-D265 PolarHBondContact O-N 3.25Å; I262-L266 HydrophobicContact CG2-CD1 4.26Å; I262-L266 WeakPolarHBondContact O-CG 3.24Å; I262-L266 PolarHBondContact O-N 3.48Å |
| 263 | M | 98.7 | Very high | 98.8 | Very high | 130 Ų | 130 | 101 Ų | 101 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 177.9 | -173.9 | -174.5 | -56.9 | 0 | 0 | 111.8 | Q259 Q260 N261 D265 L266 E267 | Q259-M263 PolarHBondContact O-N 3.43Å; Q259-M263 VanDerWaalsContact O-N 3.09Å; Q260-M263 WeakPolarHBondContact O-CB 3.47Å; Q260-M263 PolarHBondContact O-N 2.93Å; N261-M263 VanDerWaalsContact C-N 3.32Å; N261-M263 PolarHBondContact O-N 3.4Å; M263-D265 VanDerWaalsContact C-N 3.34Å; M263-D265 PolarHBondContact O-N 3Å; M263-L266 PolarHBondContact O-N 3.04Å; M263-E267 PolarHBondContact O-N 3.08Å |
| 264 | L | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 177.7 | -72.3 | 171.4 | 0 | 0 | 0 | 112.1 | Q260 N261 E267 N268 | Q260-L264 WeakPolarHBondContact O-CG 3.47Å; Q260-L264 PolarHBondContact O-N 3.39Å; N261-L264 PolarHBondContact O-N 2.95Å; L264-E267 PolarHBondContact O-N 3.28Å; L264-N268 VanDerWaalsContact O-CB 3.24Å; L264-N268 WeakPolarHBondContact O-CB 3.09Å; L264-N268 PolarHBondContact O-N 3.36Å |
| 265 | D | 98.8 | Very high | 98.8 | Very high | 46 Ų | 46 | 103.2 Ų | 103.2 | 25% | 0.246 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 176 | 180 | 60.3 | 0 | 0 | 0 | 111.8 | N261 I262 M263 N268 K269 | N261-D265 WeakPolarHBondContact O-CB 3.41Å; N261-D265 PolarHBondContact O-N 3.07Å; I262-D265 PolarHBondContact O-N 3.25Å; M263-D265 VanDerWaalsContact C-N 3.34Å; M263-D265 PolarHBondContact O-N 3Å; D265-N268 PolarHBondContact O-N 3.31Å; D265-K269 WeakPolarHBondContact O-CB 3.38Å; D265-K269 VanDerWaalsContact O-CG 3.32Å; D265-K269 WeakPolarHBondContact O-CG 3.44Å; D265-K269 PolarHBondContact O-N 3.34Å; D265-K269 WeakPolarHBondContact OD2-CE 3.02Å; D265-K269 IonicContact OD2-NZ 2.67Å; D265-K269 PolarHBondContact OD2-NZ 2.88Å |
| 266 | L | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 173 | -70.9 | 173.5 | 0 | 0 | 0 | 112 | I262 M263 N268 K269 A270 | I262-L266 HydrophobicContact CG2-CD1 4.26Å; I262-L266 WeakPolarHBondContact O-CG 3.24Å; I262-L266 PolarHBondContact O-N 3.48Å; M263-L266 PolarHBondContact O-N 3.04Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 2.68Å; L266-K269 PolarHBondContact O-N 3.07Å; L266-A270 PolarHBondContact O-N 3.14Å |
| 267 | E | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 100.3 Ų | 100.3 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 174.6 | -174.8 | 180 | 179.6 | 0 | 0 | 111 | M263 L264 K269 A270 L271 | M263-E267 PolarHBondContact O-N 3.08Å; L264-E267 PolarHBondContact O-N 3.28Å; E267-K269 VanDerWaalsContact C-N 3.35Å; E267-K269 PolarHBondContact O-N 3.05Å; E267-A270 PolarHBondContact O-N 3.18Å; E267-L271 HydrophobicContact CG-CD1 4.18Å; E267-L271 HydrophobicContact CG-CG 4.49Å; E267-L271 WeakPolarHBondContact O-CG 3.32Å; E267-L271 PolarHBondContact O-N 3.04Å |
| 268 | N | 98.8 | Very high | 98.8 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.8 | -165.5 | -89.4 | 0 | 0 | 0 | 112.1 | L264 D265 L266 L271 K272 | L264-N268 VanDerWaalsContact O-CB 3.24Å; L264-N268 WeakPolarHBondContact O-CB 3.09Å; L264-N268 PolarHBondContact O-N 3.36Å; D265-N268 PolarHBondContact O-N 3.31Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 2.68Å; N268-L271 PolarHBondContact O-N 2.96Å; N268-K272 WeakPolarHBondContact O-CB 3.46Å; N268-K272 WeakPolarHBondContact O-CG 3.42Å; N268-K272 PolarHBondContact O-N 2.67Å; N268-K272 WeakPolarHBondContact OD1-CD 3.47Å; N268-K272 WeakPolarHBondContact OD1-CE 3.3Å; N268-K272 PolarHBondContact OD1-NZ 3.15Å |
| 269 | K | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 99 Ų | 99 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 173.9 | -77.1 | 167.8 | 176.1 | 163.5 | 0 | 111.2 | D265 L266 E267 K272 Q273 | D265-K269 WeakPolarHBondContact O-CB 3.38Å; D265-K269 VanDerWaalsContact O-CG 3.32Å; D265-K269 WeakPolarHBondContact O-CG 3.44Å; D265-K269 PolarHBondContact O-N 3.34Å; D265-K269 WeakPolarHBondContact OD2-CE 3.02Å; D265-K269 IonicContact OD2-NZ 2.67Å; D265-K269 PolarHBondContact OD2-NZ 2.88Å; L266-K269 PolarHBondContact O-N 3.07Å; E267-K269 VanDerWaalsContact C-N 3.35Å; E267-K269 PolarHBondContact O-N 3.05Å; K269-K272 PolarHBondContact O-N 2.93Å; K269-Q273 WeakPolarHBondContact O-CG 3.37Å; K269-Q273 PolarHBondContact O-N 3.38Å |
| 270 | A | 98.7 | Very high | 98.8 | Very high | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L266 E267 Q273 R274 | L266-A270 PolarHBondContact O-N 3.14Å; E267-A270 PolarHBondContact O-N 3.18Å; A270-Q273 PolarHBondContact O-N 2.78Å; A270-R274 WeakPolarHBondContact O-CB 3.45Å; A270-R274 PolarHBondContact O-N 2.87Å |
| 271 | L | 98.9 | Very high | 98.8 | Very high | 93 Ų | 93 | 98.7 Ų | 98.7 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.6 | -71.8 | 173.5 | 0 | 0 | 0 | 112 | E267 N268 R274 V275 | E267-L271 HydrophobicContact CG-CD1 4.18Å; E267-L271 HydrophobicContact CG-CG 4.49Å; E267-L271 WeakPolarHBondContact O-CG 3.32Å; E267-L271 PolarHBondContact O-N 3.04Å; N268-L271 PolarHBondContact O-N 2.96Å; L271-R274 WeakPolarHBondContact O-CB 3.41Å; L271-R274 PolarHBondContact O-N 3.21Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 2.99Å |
| 272 | K | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 99.1 Ų | 99.1 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 174.4 | -78.2 | 169.2 | 173.4 | 157.5 | 0 | 111.9 | N268 K269 R274 V275 E276 | N268-K272 WeakPolarHBondContact O-CB 3.46Å; N268-K272 WeakPolarHBondContact O-CG 3.42Å; N268-K272 PolarHBondContact O-N 2.67Å; N268-K272 WeakPolarHBondContact OD1-CD 3.47Å; N268-K272 WeakPolarHBondContact OD1-CE 3.3Å; N268-K272 PolarHBondContact OD1-NZ 3.15Å; K269-K272 PolarHBondContact O-N 2.93Å; K272-R274 VanDerWaalsContact C-N 3.3Å; K272-R274 PolarHBondContact O-N 3.33Å; K272-V275 PolarHBondContact O-N 3.48Å; K272-E276 PolarHBondContact O-N 3.3Å |
| 273 | Q | 98.9 | Very high | 98.8 | Very high | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.6 | -41.1 | 175 | -75.1 | 178.9 | -23.5 | 0 | 0 | 111.8 | K269 A270 E276 S277 | K269-Q273 WeakPolarHBondContact O-CG 3.37Å; K269-Q273 PolarHBondContact O-N 3.38Å; A270-Q273 PolarHBondContact O-N 2.78Å; Q273-E276 PolarHBondContact O-N 2.87Å; Q273-S277 WeakPolarHBondContact O-CB 3.36Å; Q273-S277 PolarHBondContact O-N 3.4Å |
| 274 | R | 98.8 | Very high | 98.8 | Very high | 176 Ų | 176 | 96.2 Ų | 96.2 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.9 | -174.5 | 175 | -178.3 | 156.2 | 1.1 | 112.2 | A270 L271 K272 S277 L278 | A270-R274 WeakPolarHBondContact O-CB 3.45Å; A270-R274 PolarHBondContact O-N 2.87Å; L271-R274 WeakPolarHBondContact O-CB 3.41Å; L271-R274 PolarHBondContact O-N 3.21Å; K272-R274 VanDerWaalsContact C-N 3.3Å; K272-R274 PolarHBondContact O-N 3.33Å; R274-S277 PolarHBondContact O-N 2.92Å; R274-L278 HydrophobicContact CG-CD1 4.3Å; R274-L278 WeakPolarHBondContact O-CB 3.36Å; R274-L278 WeakPolarHBondContact O-CG 3.23Å; R274-L278 PolarHBondContact O-N 3.43Å |
| 275 | V | 98.9 | Very high | 98.8 | Very high | 100 Ų | 100 | 95.8 Ų | 95.8 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111 | L271 K272 L278 A279 | L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 2.99Å; K272-V275 PolarHBondContact O-N 3.48Å; V275-L278 PolarHBondContact O-N 3.48Å; V275-A279 WeakPolarHBondContact O-CB 3.31Å; V275-A279 PolarHBondContact O-N 3.28Å |
| 276 | E | 98.8 | Very high | 98.8 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -45.6 | 176.7 | -176.1 | 174.7 | -170.1 | 0 | 0 | 112 | K272 Q273 L278 A279 Q280 | K272-E276 PolarHBondContact O-N 3.3Å; Q273-E276 PolarHBondContact O-N 2.87Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 3.33Å; E276-A279 WeakPolarHBondContact O-CB 3.37Å; E276-A279 PolarHBondContact O-N 2.9Å; E276-Q280 WeakPolarHBondContact O-CG 3.41Å; E276-Q280 PolarHBondContact O-N 2.91Å |
| 277 | S | 98.7 | Very high | 98.8 | Very high | 69 Ų | 69 | 99.8 Ų | 99.8 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 175.5 | -178 | 0 | 0 | 0 | 0 | 112 | Q273 R274 A279 Q280 E281 | Q273-S277 WeakPolarHBondContact O-CB 3.36Å; Q273-S277 PolarHBondContact O-N 3.4Å; R274-S277 PolarHBondContact O-N 2.92Å; S277-A279 VanDerWaalsContact C-N 3.34Å; S277-Q280 PolarHBondContact O-N 3.28Å; S277-E281 PolarHBondContact O-N 2.99Å |
| 278 | L | 98.9 | Very high | 98.7 | Very high | 86 Ų | 86 | 99.3 Ų | 99.3 | 45% | 0.45 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 176.7 | -74.4 | 171.8 | 0 | 0 | 0 | 111.8 | R274 V275 E276 E281 Q282 | R274-L278 HydrophobicContact CG-CD1 4.3Å; R274-L278 WeakPolarHBondContact O-CB 3.36Å; R274-L278 WeakPolarHBondContact O-CG 3.23Å; R274-L278 PolarHBondContact O-N 3.43Å; V275-L278 PolarHBondContact O-N 3.48Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 3.33Å; L278-E281 PolarHBondContact O-N 3.45Å; L278-Q282 WeakPolarHBondContact O-CB 3.34Å; L278-Q282 VanDerWaalsContact O-CG 3.27Å; L278-Q282 WeakPolarHBondContact O-CG 3.31Å; L278-Q282 PolarHBondContact O-N 3.39Å |
| 279 | A | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 101.2 Ų | 101.2 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V275 E276 S277 Q282 L283 | V275-A279 WeakPolarHBondContact O-CB 3.31Å; V275-A279 PolarHBondContact O-N 3.28Å; E276-A279 WeakPolarHBondContact O-CB 3.37Å; E276-A279 PolarHBondContact O-N 2.9Å; S277-A279 VanDerWaalsContact C-N 3.34Å; A279-Q282 PolarHBondContact O-N 3.5Å; A279-L283 PolarHBondContact O-N 3.3Å |
| 280 | Q | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 174.2 | -69.3 | 175.7 | 2.6 | 0 | 0 | 112 | E276 S277 Q282 L283 I284 | E276-Q280 WeakPolarHBondContact O-CG 3.41Å; E276-Q280 PolarHBondContact O-N 2.91Å; S277-Q280 PolarHBondContact O-N 3.28Å; Q280-Q282 VanDerWaalsContact C-N 3.33Å; Q280-Q282 PolarHBondContact O-N 2.96Å; Q280-L283 WeakPolarHBondContact O-CB 3.3Å; Q280-L283 PolarHBondContact O-N 3.02Å; Q280-I284 WeakPolarHBondContact O-CG1 3.48Å; Q280-I284 PolarHBondContact O-N 3.39Å |
| 281 | E | 98.7 | Very high | 98.7 | Very high | 85 Ų | 85 | 103.3 Ų | 103.3 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.1 | -172.7 | -172.2 | 147.6 | 0 | 0 | 111.4 | S277 L278 L283 I284 K285 | S277-E281 PolarHBondContact O-N 2.99Å; L278-E281 PolarHBondContact O-N 3.45Å; E281-L283 VanDerWaalsContact C-N 3.32Å; E281-L283 PolarHBondContact O-N 2.93Å; E281-I284 PolarHBondContact O-N 2.93Å; E281-K285 WeakPolarHBondContact O-CG 3.43Å; E281-K285 PolarHBondContact O-N 3.48Å; E281-K285 WeakPolarHBondContact OE1-CE 3.28Å; E281-K285 IonicContact OE1-NZ 3.34Å; E281-K285 PolarHBondContact OE1-NZ 3.28Å |
| 282 | Q | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 105.6 Ų | 105.6 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 176.4 | -74 | -68.2 | 3.4 | 0 | 0 | 112.4 | L278 A279 Q280 K285 R286 | L278-Q282 WeakPolarHBondContact O-CB 3.34Å; L278-Q282 VanDerWaalsContact O-CG 3.27Å; L278-Q282 WeakPolarHBondContact O-CG 3.31Å; L278-Q282 PolarHBondContact O-N 3.39Å; A279-Q282 PolarHBondContact O-N 3.5Å; Q280-Q282 VanDerWaalsContact C-N 3.33Å; Q280-Q282 PolarHBondContact O-N 2.96Å; Q282-K285 PolarHBondContact O-N 2.9Å; Q282-R286 WeakPolarHBondContact O-CG 3.33Å; Q282-R286 PolarHBondContact O-N 2.94Å |
| 283 | L | 98.6 | Very high | 98.7 | Very high | 69 Ų | 69 | 104.4 Ų | 104.4 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 175 | -179.6 | 63.1 | 0 | 0 | 0 | 111.3 | L132 A279 Q280 E281 K285 R286 F287 | L132-L283 HydrophobicContact CD1-CD2 4.22Å; A279-L283 PolarHBondContact O-N 3.3Å; Q280-L283 WeakPolarHBondContact O-CB 3.3Å; Q280-L283 PolarHBondContact O-N 3.02Å; E281-L283 VanDerWaalsContact C-N 3.32Å; E281-L283 PolarHBondContact O-N 2.93Å; L283-K285 PolarHBondContact O-N 3.46Å; L283-R286 PolarHBondContact O-N 2.96Å; L283-F287 HydrophobicContact CD1-CD2 4.07Å; L283-F287 HydrophobicContact CD1-CE2 3.55Å; L283-F287 HydrophobicContact CD1-CZ 4.3Å; L283-F287 HydrophobicContact CD2-CE2 4.27Å; L283-F287 HydrophobicContact CG-CD2 4Å; L283-F287 HydrophobicContact CG-CE2 3.69Å; L283-F287 WeakPolarHBondContact O-CD2 3.28Å; L283-F287 PolarHBondContact O-N 3.21Å; L283-F287 VanDerWaalsContact O-N 3.08Å |
| 284 | I | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 104.6 Ų | 104.6 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.5 | -66.4 | 165 | 0 | 0 | 0 | 110.7 | Q280 E281 R286 F287 Q288 | Q280-I284 WeakPolarHBondContact O-CG1 3.48Å; Q280-I284 PolarHBondContact O-N 3.39Å; E281-I284 PolarHBondContact O-N 2.93Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 3.32Å; I284-F287 PolarHBondContact O-N 3.49Å; I284-Q288 HydrophobicContact CG2-CG 4.43Å; I284-Q288 WeakPolarHBondContact O-CG 3.45Å; I284-Q288 PolarHBondContact O-N 2.74Å |
| 285 | K | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 99.7 Ų | 99.7 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 178.1 | -74.3 | -179.8 | -177.1 | 172.6 | 0 | 112.6 | E281 Q282 L283 Q288 Q289 | E281-K285 WeakPolarHBondContact O-CG 3.43Å; E281-K285 PolarHBondContact O-N 3.48Å; E281-K285 WeakPolarHBondContact OE1-CE 3.28Å; E281-K285 IonicContact OE1-NZ 3.34Å; E281-K285 PolarHBondContact OE1-NZ 3.28Å; Q282-K285 PolarHBondContact O-N 2.9Å; L283-K285 PolarHBondContact O-N 3.46Å; K285-Q288 PolarHBondContact O-N 3.39Å; K285-Q289 WeakPolarHBondContact O-CB 3.45Å; K285-Q289 PolarHBondContact O-N 3.39Å |
| 286 | R | 98.7 | Very high | 98.6 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 173.9 | -75.2 | -178.7 | -177.8 | -120.9 | 7.7 | 111.6 | Y129 Q282 L283 I284 Q288 Q289 E290 | Y129-R286 PolarHBondContact OH-NE 2.89Å; Y129-R286 PolarHBondContact OH-NH1 2.97Å; Y129-R286 PolarHBondContact OH-NH2 3.19Å; Q282-R286 WeakPolarHBondContact O-CG 3.33Å; Q282-R286 PolarHBondContact O-N 2.94Å; L283-R286 PolarHBondContact O-N 2.96Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 3.32Å; R286-Q288 VanDerWaalsContact C-N 3.32Å; R286-Q288 PolarHBondContact O-N 3.46Å; R286-Q289 WeakPolarHBondContact O-CB 3.5Å; R286-Q289 PolarHBondContact O-N 3.31Å; R286-E290 WeakPolarHBondContact O-CG 3.34Å; R286-E290 PolarHBondContact O-N 2.94Å |
| 287 | F | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 94.4 Ų | 94.4 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.4 | -79.7 | -60.8 | 0 | 0 | 0 | 112.7 | L283 I284 E290 M291 | L283-F287 HydrophobicContact CD1-CD2 4.07Å; L283-F287 HydrophobicContact CD1-CE2 3.55Å; L283-F287 HydrophobicContact CD1-CZ 4.3Å; L283-F287 HydrophobicContact CD2-CE2 4.27Å; L283-F287 HydrophobicContact CG-CD2 4Å; L283-F287 HydrophobicContact CG-CE2 3.69Å; L283-F287 WeakPolarHBondContact O-CD2 3.28Å; L283-F287 PolarHBondContact O-N 3.21Å; L283-F287 VanDerWaalsContact O-N 3.08Å; I284-F287 PolarHBondContact O-N 3.49Å; F287-E290 PolarHBondContact O-N 3.42Å; F287-M291 WeakPolarHBondContact O-CG 3.37Å; F287-M291 PolarHBondContact O-N 2.61Å |
| 288 | Q | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.4 | -72.3 | 175 | -13.4 | 0 | 0 | 111.8 | I284 K285 R286 M291 F292 | I284-Q288 HydrophobicContact CG2-CG 4.43Å; I284-Q288 WeakPolarHBondContact O-CG 3.45Å; I284-Q288 PolarHBondContact O-N 2.74Å; K285-Q288 PolarHBondContact O-N 3.39Å; R286-Q288 VanDerWaalsContact C-N 3.32Å; R286-Q288 PolarHBondContact O-N 3.46Å; Q288-M291 WeakPolarHBondContact O-CB 3.4Å; Q288-M291 PolarHBondContact O-N 2.9Å; Q288-F292 HydrophobicContact CB-CE2 4.36Å; Q288-F292 WeakPolarHBondContact O-CD2 3.36Å; Q288-F292 WeakPolarHBondContact O-CG 3.45Å; Q288-F292 PolarHBondContact O-N 3.4Å |
| 289 | Q | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 97 Ų | 97 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 175.2 | -179.7 | -178 | -13.9 | 0 | 0 | 111.2 | K285 R286 M291 F292 E293 | K285-Q289 WeakPolarHBondContact O-CB 3.45Å; K285-Q289 PolarHBondContact O-N 3.39Å; R286-Q289 WeakPolarHBondContact O-CB 3.5Å; R286-Q289 PolarHBondContact O-N 3.31Å; Q289-M291 VanDerWaalsContact C-N 3.28Å; Q289-M291 PolarHBondContact O-N 2.99Å; Q289-F292 PolarHBondContact O-N 3.25Å; Q289-F292 VanDerWaalsContact O-N 3.15Å; Q289-E293 HydrophobicContact CG-CG 4.42Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.38Å; Q289-E293 PolarHBondContact NE2-OE1 2.95Å; Q289-E293 WeakPolarHBondContact O-CG 3.47Å; Q289-E293 PolarHBondContact O-N 3.39Å |
| 290 | E | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 177.9 | -70.8 | 176.1 | -167.9 | 0 | 0 | 112.6 | R286 F287 R294 | R286-E290 WeakPolarHBondContact O-CG 3.34Å; R286-E290 PolarHBondContact O-N 2.94Å; F287-E290 PolarHBondContact O-N 3.42Å; E290-R294 WeakPolarHBondContact O-CB 3.25Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.49Å; E290-R294 PolarHBondContact O-NE 3.46Å; E290-R294 IonicContact OE2-NH2 3.32Å; E290-R294 PolarHBondContact OE2-NH2 2.91Å |
| 291 | M | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 101.5 Ų | 101.5 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.7 | -77.4 | -65.7 | -55.7 | 0 | 0 | 111.6 | F287 Q288 Q289 R294 E295 | F287-M291 WeakPolarHBondContact O-CG 3.37Å; F287-M291 PolarHBondContact O-N 2.61Å; Q288-M291 WeakPolarHBondContact O-CB 3.4Å; Q288-M291 PolarHBondContact O-N 2.9Å; Q289-M291 VanDerWaalsContact C-N 3.28Å; Q289-M291 PolarHBondContact O-N 2.99Å; M291-R294 PolarHBondContact O-N 3.18Å; M291-R294 PolarHBondContact SD-NH1 3Å; M291-E295 PolarHBondContact O-N 3.33Å |
| 292 | F | 98.7 | Very high | 98.3 | Very high | 140 Ų | 140 | 101 Ų | 101 | 61% | 0.614 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.8 | -38.8 | 177 | -65.6 | -40.8 | 0 | 0 | 0 | 112.4 | Q288 Q289 R294 E295 I296 | Q288-F292 HydrophobicContact CB-CE2 4.36Å; Q288-F292 WeakPolarHBondContact O-CD2 3.36Å; Q288-F292 WeakPolarHBondContact O-CG 3.45Å; Q288-F292 PolarHBondContact O-N 3.4Å; Q289-F292 PolarHBondContact O-N 3.25Å; Q289-F292 VanDerWaalsContact O-N 3.15Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 2.83Å; F292-E295 PolarHBondContact O-N 2.78Å; F292-I296 WeakPolarHBondContact O-CB 3.43Å; F292-I296 VanDerWaalsContact O-CG1 3.23Å; F292-I296 WeakPolarHBondContact O-CG1 3.31Å; F292-I296 PolarHBondContact O-N 3.45Å |
| 293 | E | 98.7 | Very high | 98.2 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.6 | -74.4 | 175.4 | -176.2 | 0 | 0 | 111.5 | Q289 G297 | Q289-E293 HydrophobicContact CG-CG 4.42Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.38Å; Q289-E293 PolarHBondContact NE2-OE1 2.95Å; Q289-E293 WeakPolarHBondContact O-CG 3.47Å; Q289-E293 PolarHBondContact O-N 3.39Å; E293-G297 PolarHBondContact O-N 2.96Å |
| 294 | R | 98.5 | Very high | 98 | Very high | 139 Ų | 139 | 105 Ų | 105 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.2 | -77.7 | -179.9 | -104.6 | 144.1 | -6.9 | 112.4 | E290 M291 F292 G297 R298 | E290-R294 WeakPolarHBondContact O-CB 3.25Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.49Å; E290-R294 PolarHBondContact O-NE 3.46Å; E290-R294 IonicContact OE2-NH2 3.32Å; E290-R294 PolarHBondContact OE2-NH2 2.91Å; M291-R294 PolarHBondContact O-N 3.18Å; M291-R294 PolarHBondContact SD-NH1 3Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 2.83Å; R294-G297 PolarHBondContact O-N 3.38Å; R294-R298 PolarHBondContact O-N 3.23Å |
| 295 | E | 98.2 | Very high | 97.8 | Very high | 73 Ų | 73 | 105.6 Ų | 105.6 | 34% | 0.341 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 179.3 | -179.5 | 56.7 | -163.4 | 0 | 0 | 112.3 | M291 F292 G297 R298 L299 | M291-E295 PolarHBondContact O-N 3.33Å; F292-E295 PolarHBondContact O-N 2.78Å; E295-G297 VanDerWaalsContact C-N 3.3Å; E295-G297 PolarHBondContact O-N 3.19Å; E295-R298 PolarHBondContact O-N 3.36Å; E295-R298 IonicContact OE1-CZ 2.61Å; E295-R298 IonicContact OE1-NE 3.9Å; E295-R298 PolarHBondContact OE1-NE 2.93Å; E295-R298 IonicContact OE1-NH2 2.72Å; E295-R298 PolarHBondContact OE1-NH2 3.02Å; E295-R298 IonicContact OE2-CZ 3.09Å; E295-R298 IonicContact OE2-NE 3.78Å; E295-R298 PolarHBondContact OE2-NE 3.23Å; E295-R298 IonicContact OE2-NH2 3.98Å; E295-L299 HydrophobicContact CG-CD1 4.13Å; E295-L299 HydrophobicContact CG-CG 4.48Å; E295-L299 WeakPolarHBondContact O-CB 3.45Å; E295-L299 WeakPolarHBondContact O-CG 3.35Å; E295-L299 PolarHBondContact O-N 3.09Å |
| 296 | I | 98.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 106.1 Ų | 106.1 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 171.4 | -71.8 | 166.3 | 0 | 0 | 0 | 110 | F292 L299 R300 | F292-I296 WeakPolarHBondContact O-CB 3.43Å; F292-I296 VanDerWaalsContact O-CG1 3.23Å; F292-I296 WeakPolarHBondContact O-CG1 3.31Å; F292-I296 PolarHBondContact O-N 3.45Å; I296-L299 PolarHBondContact O-N 3.21Å; I296-R300 HydrophobicContact CG2-CG 4.43Å; I296-R300 WeakPolarHBondContact O-CB 3.34Å; I296-R300 VanDerWaalsContact O-CG 3.26Å; I296-R300 WeakPolarHBondContact O-CG 3.32Å; I296-R300 PolarHBondContact O-N 2.83Å |
| 297 | G | 98.3 | Very high | 97 | Very high | 31 Ų | 31 | 105.6 Ų | 105.6 | 32% | 0.32 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E293 R294 E295 L299 R300 T301 | E293-G297 PolarHBondContact O-N 2.96Å; R294-G297 PolarHBondContact O-N 3.38Å; E295-G297 VanDerWaalsContact C-N 3.3Å; E295-G297 PolarHBondContact O-N 3.19Å; G297-L299 PolarHBondContact O-N 3.27Å; G297-R300 PolarHBondContact O-N 3.28Å; G297-T301 PolarHBondContact O-N 3.48Å; G297-T301 VanDerWaalsContact O-N 3.12Å; G297-T301 PolarHBondContact O-OG1 3.27Å |
| 298 | R | 98.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 106.8 Ų | 106.8 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 177.1 | -170 | -165.2 | 72.5 | 82.7 | 4.3 | 112.2 | R294 E295 T301 I302 | R294-R298 PolarHBondContact O-N 3.23Å; E295-R298 PolarHBondContact O-N 3.36Å; E295-R298 IonicContact OE1-CZ 2.61Å; E295-R298 IonicContact OE1-NE 3.9Å; E295-R298 PolarHBondContact OE1-NE 2.93Å; E295-R298 IonicContact OE1-NH2 2.72Å; E295-R298 PolarHBondContact OE1-NH2 3.02Å; E295-R298 IonicContact OE2-CZ 3.09Å; E295-R298 IonicContact OE2-NE 3.78Å; E295-R298 PolarHBondContact OE2-NE 3.23Å; E295-R298 IonicContact OE2-NH2 3.98Å; R298-T301 PolarHBondContact O-N 2.87Å; R298-I302 HydrophobicContact CG-CD1 4.44Å; R298-I302 PolarHBondContact O-N 3.45Å; R298-I302 VanDerWaalsContact O-N 3.13Å |
| 299 | L | 98 | Very high | 94.9 | Very high | 88 Ų | 88 | 108.7 Ų | 108.7 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 179.6 | -72.6 | 171.9 | 0 | 0 | 0 | 112.2 | E295 I296 G297 T301 I302 Y303 | E295-L299 HydrophobicContact CG-CD1 4.13Å; E295-L299 HydrophobicContact CG-CG 4.48Å; E295-L299 WeakPolarHBondContact O-CB 3.45Å; E295-L299 WeakPolarHBondContact O-CG 3.35Å; E295-L299 PolarHBondContact O-N 3.09Å; I296-L299 PolarHBondContact O-N 3.21Å; G297-L299 PolarHBondContact O-N 3.27Å; L299-T301 VanDerWaalsContact C-N 3.34Å; L299-T301 PolarHBondContact O-N 3.47Å; L299-I302 PolarHBondContact O-N 2.88Å; L299-Y303 WeakPolarHBondContact O-CB 3.46Å; L299-Y303 PolarHBondContact O-N 2.72Å |
| 300 | R | 97.8 | Very high | 93 | Very high | 174 Ų | 174 | 110 Ų | 110 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 174.8 | -75.5 | 173.5 | -178.1 | 168.1 | 3 | 111.8 | I296 G297 Y303 Q304 | I296-R300 HydrophobicContact CG2-CG 4.43Å; I296-R300 WeakPolarHBondContact O-CB 3.34Å; I296-R300 VanDerWaalsContact O-CG 3.26Å; I296-R300 WeakPolarHBondContact O-CG 3.32Å; I296-R300 PolarHBondContact O-N 2.83Å; G297-R300 PolarHBondContact O-N 3.28Å; R300-Y303 PolarHBondContact O-N 2.71Å; R300-Q304 WeakPolarHBondContact O-CB 3.48Å; R300-Q304 PolarHBondContact O-N 3.02Å |
| 301 | T | 97.5 | Very high | 90.5 | Very high | 91 Ų | 91 | 109.4 Ų | 109.4 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 112 | G297 R298 L299 Q304 Q305 | G297-T301 PolarHBondContact O-N 3.48Å; G297-T301 VanDerWaalsContact O-N 3.12Å; G297-T301 PolarHBondContact O-OG1 3.27Å; R298-T301 PolarHBondContact O-N 2.87Å; L299-T301 VanDerWaalsContact C-N 3.34Å; L299-T301 PolarHBondContact O-N 3.47Å; T301-Q304 PolarHBondContact O-N 3.47Å; T301-Q305 WeakPolarHBondContact O-CB 3.3Å; T301-Q305 PolarHBondContact O-N 3.48Å |
| 302 | I | 96.4 | Very high | 88 | Confident | 73 Ų | 73 | 110.9 Ų | 110.9 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 177.8 | -68.8 | 171 | 0 | 0 | 0 | 111 | R298 L299 Q304 Q305 Q306 | R298-I302 HydrophobicContact CG-CD1 4.44Å; R298-I302 PolarHBondContact O-N 3.45Å; R298-I302 VanDerWaalsContact O-N 3.13Å; L299-I302 PolarHBondContact O-N 2.88Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; I302-Q304 PolarHBondContact O-N 3.45Å; I302-Q305 PolarHBondContact O-N 3.36Å; I302-Q306 WeakPolarHBondContact O-CB 3.45Å; I302-Q306 PolarHBondContact O-N 2.86Å |
| 303 | Y | 95.9 | Very high | 85.7 | Confident | 144 Ų | 144 | 108.5 Ų | 108.5 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 177.2 | 179.9 | -102.5 | 0 | 0 | 0 | 111.8 | L299 R300 Q306 Q307 | L299-Y303 WeakPolarHBondContact O-CB 3.46Å; L299-Y303 PolarHBondContact O-N 2.72Å; R300-Y303 PolarHBondContact O-N 2.71Å; Y303-Q306 PolarHBondContact O-N 3.37Å; Y303-Q307 HydrophobicContact CD1-CG 4.48Å; Y303-Q307 HydrophobicContact CE1-CG 4.14Å; Y303-Q307 WeakPolarHBondContact O-CG 3.47Å; Y303-Q307 PolarHBondContact O-N 3.32Å; Y303-Q307 PolarHBondContact OH-NE2 3.29Å |
| 304 | Q | 94.4 | Very high | 83.5 | Confident | 118 Ų | 118 | 111 Ų | 111 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.3 | -40.5 | 176.2 | -172.7 | 179.7 | 13.4 | 0 | 0 | 112.3 | R300 T301 I302 Q306 Q307 Q308 | R300-Q304 WeakPolarHBondContact O-CB 3.48Å; R300-Q304 PolarHBondContact O-N 3.02Å; T301-Q304 PolarHBondContact O-N 3.47Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; I302-Q304 PolarHBondContact O-N 3.45Å; Q304-Q306 VanDerWaalsContact C-N 3.35Å; Q304-Q307 WeakPolarHBondContact O-CB 3.41Å; Q304-Q307 PolarHBondContact O-N 2.94Å; Q304-Q308 WeakPolarHBondContact O-CG 3.33Å; Q304-Q308 PolarHBondContact O-N 2.92Å; Q304-Q308 VanDerWaalsContact O-N 3.13Å |
| 305 | Q | 93.6 | Very high | 81.2 | Confident | 108 Ų | 108 | 110.2 Ų | 110.2 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 176.1 | -175.8 | -179.7 | 47.1 | 0 | 0 | 111.5 | T301 I302 Q308 Q309 | T301-Q305 WeakPolarHBondContact O-CB 3.3Å; T301-Q305 PolarHBondContact O-N 3.48Å; I302-Q305 PolarHBondContact O-N 3.36Å; Q305-Q308 PolarHBondContact O-N 3.49Å; Q305-Q309 WeakPolarHBondContact O-CG 3.48Å; Q305-Q309 PolarHBondContact O-N 2.9Å; Q305-Q309 VanDerWaalsContact O-N 3.14Å |
| 306 | Q | 92.4 | Very high | 78.9 | Confident | 106 Ų | 106 | 117.6 Ų | 117.6 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.4 | -40.5 | 176.7 | -173 | 177.2 | 47.4 | 0 | 0 | 111.8 | I302 Y303 Q304 Q308 Q309 Q310 | I302-Q306 WeakPolarHBondContact O-CB 3.45Å; I302-Q306 PolarHBondContact O-N 2.86Å; Y303-Q306 PolarHBondContact O-N 3.37Å; Q304-Q306 VanDerWaalsContact C-N 3.35Å; Q306-Q308 VanDerWaalsContact C-N 3.32Å; Q306-Q308 PolarHBondContact O-N 2.93Å; Q306-Q309 PolarHBondContact O-N 3.27Å; Q306-Q310 WeakPolarHBondContact O-CG 3.41Å; Q306-Q310 PolarHBondContact O-N 2.77Å |
| 307 | Q | 88.2 | Confident | 76.7 | Confident | 114 Ų | 114 | 118.7 Ų | 118.7 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.6 | -40.2 | 173.9 | -76 | -94.7 | 1.5 | 0 | 0 | 112.2 | Y303 Q304 Q310 | Y303-Q307 HydrophobicContact CD1-CG 4.48Å; Y303-Q307 HydrophobicContact CE1-CG 4.14Å; Y303-Q307 WeakPolarHBondContact O-CG 3.47Å; Y303-Q307 PolarHBondContact O-N 3.32Å; Y303-Q307 PolarHBondContact OH-NE2 3.29Å; Q304-Q307 WeakPolarHBondContact O-CB 3.41Å; Q304-Q307 PolarHBondContact O-N 2.94Å; Q307-Q310 PolarHBondContact O-N 3.41Å |
| 308 | Q | 81.8 | Confident | 74.9 | Confident | 137 Ų | 137 | 123.8 Ų | 123.8 | 64% | 0.64 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70 | -31.7 | 178 | -70.2 | 175.9 | 23.6 | 0 | 0 | 113.2 | Q304 Q305 Q306 Q310 | Q304-Q308 WeakPolarHBondContact O-CG 3.33Å; Q304-Q308 PolarHBondContact O-N 2.92Å; Q304-Q308 VanDerWaalsContact O-N 3.13Å; Q305-Q308 PolarHBondContact O-N 3.49Å; Q306-Q308 VanDerWaalsContact C-N 3.32Å; Q306-Q308 PolarHBondContact O-N 2.93Å; Q308-Q310 VanDerWaalsContact C-N 3.34Å |
| 309 | Q | 71.8 | Confident | 73.1 | Confident | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79.2 | -13.9 | 178.5 | -69.2 | -179.4 | 36.4 | 0 | 0 | 113.7 | Q305 Q306 | Q305-Q309 WeakPolarHBondContact O-CG 3.48Å; Q305-Q309 PolarHBondContact O-N 2.9Å; Q305-Q309 VanDerWaalsContact O-N 3.14Å; Q306-Q309 PolarHBondContact O-N 3.27Å |
| 310 | Q | 58.7 | Low | 71.5 | Confident | 138 Ų | 138 | 129.2 Ų | 129.2 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 14 | -177.2 | -73.7 | -177.8 | 8.9 | 0 | 0 | 114.9 | Q306 Q307 Q308 | Q306-Q310 WeakPolarHBondContact O-CG 3.41Å; Q306-Q310 PolarHBondContact O-N 2.77Å; Q307-Q310 PolarHBondContact O-N 3.41Å; Q308-Q310 VanDerWaalsContact C-N 3.34Å |
| 311 | A | 46.6 | Very low | 70 | Confident | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65.5 | 142.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A313 | A311-A313 PolarHBondContact O-N 2.83Š|
| 312 | P | 46.6 | Very low | 68.7 | Low | 135 Ų | 135 | 126 Ų | 126 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -77.7 | 97.4 | -133.9 | 31.9 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 313 | A | 49.5 | Very low | 67.5 | Low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -145.2 | 120.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A311 | A311-A313 PolarHBondContact O-N 2.83Š|
| 314 | L | 52.6 | Low | 66.5 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 83% | 0.827 | 66% | 0.658 | S | S | * | * | trans | 76.3 | 64.3 | 163.9 | -139.9 | 74.9 | 0 | 0 | 0 | 117.8 | R316 | L314-R316 PolarHBondContact O-N 3.36Š| ||
| 315 | V | 49.8 | Very low | 65.4 | Low | 123 Ų | 123 | 124 Ų | 124 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | trans | -34.2 | 118.6 | 138.1 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 316 | R | 50 | Low | 64.1 | Low | 227 Ų | 227 | 125.6 Ų | 125.6 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | 79.9 | 83.1 | 157.1 | -57.2 | 159.1 | 97.7 | 116.7 | 8.1 | 118.6 | L314 | L314-R316 PolarHBondContact O-N 3.36Š| ||
| 317 | S | 52.5 | Low | 63.1 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -154 | 18.3 | 153.8 | -159.4 | 0 | 0 | 0 | 0 | 117.4 | ||
| 318 | N | 59.8 | Low | 62.1 | Low | 138 Ų | 138 | 124.6 Ų | 124.6 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -128.5 | -3 | 178.5 | -72.1 | -39.6 | 0 | 0 | 0 | 115.1 | ||
| 319 | S | 61.7 | Low | 61.4 | Low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -17.4 | -173.2 | -175.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 320 | R | 63.1 | Low | 60.9 | Low | 224 Ų | 224 | 121.9 Ų | 121.9 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -18 | -175.4 | -79.3 | 179.8 | 168.6 | 170.7 | -5.3 | 114.2 | ||
| 321 | D | 67.4 | Low | 60.9 | Low | 97 Ų | 97 | 123.2 Ų | 123.2 | 52% | 0.519 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -80.3 | -33.5 | -176.5 | -166.5 | 53.6 | 0 | 0 | 0 | 111.8 | V324 Q325 | D321-V324 PolarHBondContact O-N 2.96Å; D321-Q325 WeakPolarHBondContact O-CG 3.33Å; D321-Q325 PolarHBondContact O-N 3.27Å; D321-Q325 PolarHBondContact OD2-NE2 3.21Å |
| 322 | L | 70.8 | Confident | 61.4 | Low | 99 Ų | 99 | 128.7 Ų | 128.7 | 52% | 0.518 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -63.9 | -43.5 | 178.7 | -70.5 | 171.1 | 0 | 0 | 0 | 112.8 | V324 Q325 F326 | L322-V324 VanDerWaalsContact C-N 3.25Å; L322-V324 PolarHBondContact O-N 2.79Å; L322-Q325 PolarHBondContact O-N 2.88Å; L322-Q325 VanDerWaalsContact O-N 3.09Å; L322-F326 WeakPolarHBondContact O-CD2 3.49Å; L322-F326 PolarHBondContact O-N 3.19Å |
| 323 | D | 70.7 | Confident | 61.8 | Low | 115 Ų | 115 | 130.1 Ų | 130.1 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.3 | -34 | 178.6 | -71.8 | -41.2 | 0 | 0 | 0 | 112.2 | A327 | D323-A327 WeakPolarHBondContact O-CB 3.45Å; D323-A327 PolarHBondContact O-N 2.99Å |
| 324 | V | 73.7 | Confident | 62.3 | Low | 79 Ų | 79 | 134.7 Ų | 134.7 | 48% | 0.479 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.8 | -37.3 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | D321 L322 A327 N328 | D321-V324 PolarHBondContact O-N 2.96Å; L322-V324 VanDerWaalsContact C-N 3.25Å; L322-V324 PolarHBondContact O-N 2.79Å; V324-A327 PolarHBondContact O-N 3.39Å; V324-N328 PolarHBondContact O-N 2.91Å; V324-N328 VanDerWaalsContact O-N 3.09Å; V324-N328 PolarHBondContact O-ND2 3.2Å |
| 325 | Q | 71.6 | Confident | 62.5 | Low | 99 Ų | 99 | 133 Ų | 133 | 46% | 0.463 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -65.4 | -38.3 | 174.8 | -70.2 | -170.7 | 53.1 | 0 | 0 | 112.2 | D321 L322 N328 L329 | D321-Q325 WeakPolarHBondContact O-CG 3.33Å; D321-Q325 PolarHBondContact O-N 3.27Å; D321-Q325 PolarHBondContact OD2-NE2 3.21Å; L322-Q325 PolarHBondContact O-N 2.88Å; L322-Q325 VanDerWaalsContact O-N 3.09Å; Q325-N328 PolarHBondContact O-N 3.43Å; Q325-L329 WeakPolarHBondContact O-CG 3.27Å; Q325-L329 PolarHBondContact O-N 3.39Å |
| 326 | F | 67.2 | Low | 63.1 | Low | 143 Ų | 143 | 132.2 Ų | 132.2 | 63% | 0.627 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.4 | -34.7 | 173.3 | -77.7 | -73 | 0 | 0 | 0 | 113.2 | L322 N328 L329 | L322-F326 WeakPolarHBondContact O-CD2 3.49Å; L322-F326 PolarHBondContact O-N 3.19Å; F326-N328 VanDerWaalsContact C-N 3.31Å; F326-N328 PolarHBondContact O-N 2.8Å; F326-L329 PolarHBondContact O-N 3.41Å |
| 327 | A | 71.4 | Confident | 62.8 | Low | 70 Ų | 70 | 129 Ų | 129 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.2 | -33.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D323 V324 | D323-A327 WeakPolarHBondContact O-CB 3.45Å; D323-A327 PolarHBondContact O-N 2.99Å; V324-A327 PolarHBondContact O-N 3.39Å |
| 328 | N | 67.3 | Low | 62.7 | Low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.8 | -19 | 179.2 | -74.8 | -55.3 | 0 | 0 | 0 | 114.2 | V324 Q325 F326 | V324-N328 PolarHBondContact O-N 2.91Å; V324-N328 VanDerWaalsContact O-N 3.09Å; V324-N328 PolarHBondContact O-ND2 3.2Å; Q325-N328 PolarHBondContact O-N 3.43Å; F326-N328 VanDerWaalsContact C-N 3.31Å; F326-N328 PolarHBondContact O-N 2.8Å |
| 329 | L | 67.4 | Low | 62 | Low | 136 Ų | 136 | 126.8 Ų | 126.8 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 1.9 | 179 | -66.9 | 171.8 | 0 | 0 | 0 | 113.7 | Q325 F326 L331 | Q325-L329 WeakPolarHBondContact O-CG 3.27Å; Q325-L329 PolarHBondContact O-N 3.39Å; F326-L329 PolarHBondContact O-N 3.41Å; L329-L331 VanDerWaalsContact C-N 3.26Å; L329-L331 PolarHBondContact O-N 3.25Å |
| 330 | S | 61.5 | Low | 61.6 | Low | 86 Ų | 86 | 132.8 Ų | 132.8 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | trans | -67 | 88.2 | 171.4 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | K332 | S330-K332 PolarHBondContact O-N 3.48Š| ||
| 331 | L | 57.8 | Low | 60.7 | Low | 167 Ų | 167 | 128.6 Ų | 128.6 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -52.2 | 102.4 | 174 | -175 | 64.3 | 0 | 0 | 0 | 109.2 | L329 H333 | L329-L331 VanDerWaalsContact C-N 3.26Å; L329-L331 PolarHBondContact O-N 3.25Å; L331-H333 PolarHBondContact O-N 3.4Å | ||
| 332 | K | 58.3 | Low | 60 | Low | 189 Ų | 189 | 128.4 Ų | 128.4 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | trans | -58.3 | 107.5 | 175.1 | -73.2 | -82.7 | 175.9 | 177.5 | 0 | 109 | S330 K334 | S330-K332 PolarHBondContact O-N 3.48Å; K332-K334 PolarHBondContact O-N 3.2Å; K332-K334 VanDerWaalsContact O-N 3.09Å | ||
| 333 | H | 54.4 | Low | 59.1 | Low | 164 Ų | 164 | 131.8 Ų | 131.8 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | -51.2 | 111.6 | 159.9 | -123.6 | -92.9 | 0 | 0 | 0 | 108.2 | L331 D335 | L331-H333 PolarHBondContact O-N 3.4Å; H333-D335 IonicContact CE1-OD1 3.46Å; H333-D335 IonicContact CG-OD2 2.63Å; H333-D335 IonicContact ND1-OD1 3.31Å; H333-D335 PolarHBondContact ND1-OD1 3.5Å; H333-D335 IonicContact ND1-OD2 2.62Å; H333-D335 PolarHBondContact ND1-OD2 2.99Å; H333-D335 VanDerWaalsContact ND1-OD2 3.09Å | ||
| 334 | K | 59.5 | Low | 58.3 | Low | 188 Ų | 188 | 132.5 Ų | 132.5 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | trans | -107.5 | 87.7 | 171.6 | 178.5 | 82.7 | 174.1 | -173.8 | 0 | 105.7 | K332 P336 | K332-K334 PolarHBondContact O-N 3.2Å; K332-K334 VanDerWaalsContact O-N 3.09Å; K334-P336 VanDerWaalsContact O-CD 3.25Å; K334-P336 WeakPolarHBondContact O-CD 3.33Å | ||
| 335 | D | 56.3 | Low | 57.3 | Low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | trans | -80.5 | 117.3 | 168.9 | -64 | -58.4 | 0 | 0 | 0 | 109 | H333 N337 | H333-D335 IonicContact CE1-OD1 3.46Å; H333-D335 IonicContact CG-OD2 2.63Å; H333-D335 IonicContact ND1-OD1 3.31Å; H333-D335 PolarHBondContact ND1-OD1 3.5Å; H333-D335 IonicContact ND1-OD2 2.62Å; H333-D335 PolarHBondContact ND1-OD2 2.99Å; H333-D335 VanDerWaalsContact ND1-OD2 3.09Å; D335-N337 PolarHBondContact O-N 2.77Å | ||
| 336 | P | 62.5 | Low | 56.5 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | trans | -82.5 | 104.8 | 161.7 | 31.5 | -28.4 | 0 | 0 | 0 | 108.6 | K334 T338 | K334-P336 VanDerWaalsContact O-CD 3.25Å; K334-P336 WeakPolarHBondContact O-CD 3.33Å; P336-T338 PolarHBondContact O-N 3.32Å | ||
| 337 | N | 43.9 | Very low | 56.1 | Low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -33.6 | 108.6 | 159.1 | -168.8 | 6.6 | 0 | 0 | 0 | 111.8 | D335 | D335-N337 PolarHBondContact O-N 2.77Š| ||
| 338 | T | 51.4 | Low | 55.6 | Low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -143.4 | 104.4 | 159.8 | -34.6 | 0 | 0 | 0 | 0 | 107.5 | P336 | P336-T338 PolarHBondContact O-N 3.32Š| ||
| 339 | G | 45.5 | Very low | 55.2 | Low | 61 Ų | 61 | 146.8 Ų | 146.8 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | -72.1 | 153.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 340 | R | 51.6 | Low | 54.6 | Low | 224 Ų | 224 | 147.3 Ų | 147.3 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | -178.4 | 140.2 | 127.8 | -113.3 | -179.7 | 165.5 | 166.8 | -4.6 | 111 | |||||
| 341 | D | 45.6 | Very low | 54.2 | Low | 137 Ų | 137 | 150.5 Ų | 150.5 | 73% | 0.733 | 83% | 0.826 | S | S | * | * | trans | 75.3 | 103 | 147.4 | -58.8 | -27.6 | 0 | 0 | 0 | 119.7 | ||||
| 342 | A | 51.4 | Low | 54 | Low | 93 Ų | 93 | 149.6 Ų | 149.6 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -65.9 | 134.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 343 | L | 51.5 | Low | 53.8 | Low | 170 Ų | 170 | 147.3 Ų | 147.3 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -154.8 | 107.1 | 144.6 | -74 | -174.1 | 0 | 0 | 0 | 109.7 | ||||
| 344 | S | 54.5 | Low | 53.7 | Low | 129 Ų | 129 | 146.3 Ų | 146.3 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | 29 | 126.7 | 128.7 | -162.4 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 345 | G | 52.9 | Low | 53.4 | Low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | cis | 165.8 | 172.8 | 11.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 346 | P | 53.8 | Low | 53.2 | Low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 84% | 0.84 | S | S | * | * | trans | -115.9 | 135.4 | 174.8 | 35.6 | -22.7 | 0 | 0 | 0 | 113.8 | ||||
| 347 | L | 60.5 | Low | 52.4 | Low | 169 Ų | 169 | 148 Ų | 148 | 89% | 0.885 | 85% | 0.852 | S | S | * | * | trans | -151.6 | 107 | 165.1 | -102.4 | 132.1 | 0 | 0 | 0 | 105.6 | ||||
| 348 | R | 59.2 | Low | 53.1 | Low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | 57.7 | 83.1 | 75.9 | -155.9 | -179.9 | -170.5 | 167.6 | 3.1 | 113.7 | |||||
| 349 | T | 59.9 | Low | 53.3 | Low | 217 Ų | 217 | 148.5 Ų | 148.5 | 100% | 1.331 | 86% | 0.856 | S | S | * | * | -165.9 | 0 | 129.8 | 26.8 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 349 of 349 residues in 52.5 ms
(Link to these results)