| 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 | 37.7 | Very low | 41.1 | Very low | 238 Ų | 238 | 184.3 Ų | 184.3 | 100% | 1.172 | 89% | 0.888 | S | S | * | * | 0 | 144 | 0 | -73.8 | 178.8 | -179.8 | 0 | 0 | 109.2 | |||||
| 2 | T | 44.1 | Very low | 41.2 | Very low | 111 Ų | 111 | 178.4 Ų | 178.4 | 68% | 0.681 | 88% | 0.88 | S | S | * | * | cis | -158.9 | 116 | -17.4 | -75.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | R | 39.8 | Very low | 41.6 | Very low | 239 Ų | 239 | 178.6 Ų | 178.6 | 90% | 0.902 | 88% | 0.877 | S | S | * | * | trans | 65.7 | 133.2 | 159.2 | -65.7 | 174.1 | 178 | -139.5 | -4.8 | 120.6 | ||||
| 4 | H | 39.1 | Very low | 42.4 | Very low | 188 Ų | 188 | 173.6 Ų | 173.6 | 87% | 0.87 | 86% | 0.862 | S | S | * | * | trans | -51 | 156.4 | 156.3 | -70.6 | -95.1 | 0 | 0 | 0 | 113.4 | ||||
| 5 | R | 40.2 | Very low | 42.9 | Very low | 251 Ų | 251 | 170.5 Ų | 170.5 | 95% | 0.947 | 86% | 0.86 | S | S | * | * | trans | -150.8 | 122.4 | 138.6 | -113.4 | 163.5 | -170.7 | -121.1 | -1.6 | 112.6 | ||||
| 6 | S | 39.2 | Very low | 44 | Very low | 116 Ų | 116 | 168.3 Ų | 168.3 | 81% | 0.811 | 86% | 0.857 | S | S | * | * | trans | -76.1 | 131.8 | 174.2 | 39.6 | 0 | 0 | 0 | 0 | 111.1 | S8 | S6-S8 PolarHBondContact O-N 3.27Š| ||
| 7 | G | 39.9 | Very low | 43.9 | Very low | 83 Ų | 83 | 169.1 Ų | 169.1 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | -74 | 108 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 8 | S | 42.9 | Very low | 44.4 | Very low | 120 Ų | 120 | 172.3 Ų | 172.3 | 84% | 0.839 | 86% | 0.856 | S | S | * | * | trans | -68.5 | 129.5 | -178.1 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | S6 R10 | S6-S8 PolarHBondContact O-N 3.27Å; S8-R10 PolarHBondContact O-N 3.2Å | ||
| 9 | R | 40.8 | Very low | 45.4 | Very low | 234 Ų | 234 | 168.9 Ų | 168.9 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | trans | -70.4 | 105.5 | 178.9 | -168.2 | 177.6 | -173.5 | -179.1 | 2.5 | 109.8 | K11 | R9-K11 PolarHBondContact O-N 3.13Å; R9-K11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | R | 42.5 | Very low | 46.1 | Very low | 244 Ų | 244 | 166.8 Ų | 166.8 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -53.3 | 115.9 | 175.4 | -104.5 | 179.6 | 169.3 | 174.3 | -3.8 | 110.3 | S8 | S8-R10 PolarHBondContact O-N 3.2Š| ||
| 11 | K | 46.3 | Very low | 46.9 | Very low | 203 Ų | 203 | 165.3 Ų | 165.3 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 137.8 | 170.9 | -70.9 | -179.8 | 176.3 | 179.2 | 0 | 109.7 | R9 | R9-K11 PolarHBondContact O-N 3.13Å; R9-K11 VanDerWaalsContact O-N 3.13Å |
| 12 | S | 42.3 | Very low | 47.9 | Very low | 114 Ų | 114 | 159.8 Ų | 159.8 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 135.3 | 172.6 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 13 | H | 45.5 | Very low | 48.6 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 122.6 | 175.3 | -157.8 | -56.3 | 0 | 0 | 0 | 109.1 | ||
| 14 | T | 53.5 | Low | 49 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 66% | 0.663 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 149.6 | 170.9 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 15 | P | 50.3 | Low | 49.3 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 136.6 | 174 | -10.3 | 27.5 | 0 | 0 | 0 | 111 | ||
| 16 | V | 59.3 | Low | 49.8 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 134 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 17 | H | 42.3 | Very low | 50 | Low | 181 Ų | 181 | 151.4 Ų | 151.4 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 132.8 | -179.9 | -133.5 | -81.9 | 0 | 0 | 0 | 111.3 | ||
| 18 | R | 53 | Low | 50.1 | Low | 228 Ų | 228 | 156.8 Ų | 156.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78 | 134.6 | 174.5 | -160.9 | -178 | -149.3 | -174.5 | 6.8 | 110.1 | ||
| 19 | P | 63.5 | Low | 49.9 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 70% | 0.695 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 154.7 | 173.3 | 29.9 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 20 | P | 59.1 | Low | 50 | Low | 127 Ų | 127 | 150.6 Ų | 150.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 152.1 | -179.4 | 31.5 | -35.1 | 0 | 0 | 0 | 112.8 | ||
| 21 | V | 62.8 | Low | 50.1 | Low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 141.7 | 177.8 | -175 | 0 | 0 | 0 | 0 | 110 | ||
| 22 | P | 59.3 | Low | 50 | Low | 122 Ų | 122 | 142.5 Ų | 142.5 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 146.1 | 178 | -19.2 | 32.3 | 0 | 0 | 0 | 113.4 | ||
| 23 | A | 59.8 | Low | 50 | Low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 153.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 24 | P | 48.5 | Very low | 50.1 | Low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69 | 147.2 | 175.4 | -12.3 | 27.1 | 0 | 0 | 0 | 112.4 | ||
| 25 | R | 45.4 | Very low | 49.6 | Very low | 245 Ų | 245 | 145.6 Ų | 145.6 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 141 | -179.7 | -61.4 | 179.5 | 179.3 | -144.7 | -0.3 | 111.8 | ||
| 26 | T | 49.1 | Very low | 49.6 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 135.5 | 170 | 39.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 27 | P | 43.8 | Very low | 49 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 143.6 | 162.2 | -6.7 | 25.9 | 0 | 0 | 0 | 112.2 | ||
| 28 | Q | 41.4 | Very low | 49.1 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 157 | -172.4 | -64.3 | 158.9 | 5.8 | 0 | 0 | 116.9 | ||
| 29 | S | 39.2 | Very low | 48.7 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 141.2 | 173.7 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 30 | A | 42.7 | Very low | 47.7 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -123.4 | 142.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | V | 44.2 | Very low | 47.4 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -99.6 | 130.8 | -168.1 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 32 | V | 44.3 | Very low | 46.5 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -138.1 | 131.9 | 161.9 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 33 | S | 43.2 | Very low | 46.1 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | trans | -74.6 | 162.2 | -171.4 | -67.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 34 | P | 47.1 | Very low | 45.4 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -84.6 | 130.2 | -160.8 | 32.4 | -34.9 | 0 | 0 | 0 | 113.9 | ||||
| 35 | R | 43.3 | Very low | 45.5 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -88.7 | 107.4 | 169.4 | -154.3 | 172.5 | -165.9 | -119.4 | 3.7 | 110 | S37 | R35-S37 PolarHBondContact O-N 3.11Š| ||
| 36 | R | 49.9 | Very low | 45.7 | Very low | 257 Ų | 257 | 142.5 Ų | 142.5 | 97% | 0.97 | 82% | 0.824 | S | S | * | * | trans | -77.3 | 106.3 | 179 | -167.4 | -178.1 | -170.6 | -148.4 | 5.3 | 110 | ||||
| 37 | S | 48.4 | Very low | 46 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -124.1 | 139.6 | 166.9 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | R35 | R35-S37 PolarHBondContact O-N 3.11Š| ||
| 38 | G | 43.2 | Very low | 46.8 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -68.9 | 179 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S40 | G38-S40 PolarHBondContact O-N 3.09Å; G38-S40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | P | 45.5 | Very low | 47.8 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -69.6 | 110.7 | -174.4 | 29.1 | -33.9 | 0 | 0 | 0 | 110.9 | S41 | P39-S41 PolarHBondContact O-N 2.73Š| ||
| 40 | S | 41.9 | Very low | 49.4 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -67.8 | 103 | 159.9 | 45.1 | 0 | 0 | 0 | 0 | 108.2 | G38 E42 | G38-S40 PolarHBondContact O-N 3.09Å; G38-S40 VanDerWaalsContact O-N 3.12Å; S40-E42 PolarHBondContact O-N 3.42Å | ||
| 41 | S | 52.3 | Low | 51 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -69 | 72.9 | 174.1 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | P39 Q43 | P39-S41 PolarHBondContact O-N 2.73Å; S41-Q43 VanDerWaalsContact C-N 3.34Å; S41-Q43 PolarHBondContact O-N 2.95Å | ||
| 42 | E | 44.6 | Very low | 52.6 | Low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -71.8 | 96.7 | 166.4 | -77.9 | -164.1 | 163.1 | 0 | 0 | 109.1 | S40 S44 | S40-E42 PolarHBondContact O-N 3.42Å; E42-S44 PolarHBondContact O-N 2.69Å | ||
| 43 | Q | 50.2 | Low | 54.5 | Low | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -70.5 | 61.4 | 179.7 | -145.6 | 168.9 | 18.1 | 0 | 0 | 110.7 | S41 G45 | S41-Q43 VanDerWaalsContact C-N 3.34Å; S41-Q43 PolarHBondContact O-N 2.95Å; Q43-G45 VanDerWaalsContact C-N 3.35Å; Q43-G45 PolarHBondContact O-N 3.09Å | ||
| 44 | S | 46.4 | Very low | 56.5 | Low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 91.6 | 168.2 | 60.7 | 0 | 0 | 0 | 0 | 108.6 | E42 R46 | E42-S44 PolarHBondContact O-N 2.69Å; S44-R46 PolarHBondContact O-N 3.49Å | ||
| 45 | G | 49 | Very low | 58.7 | Low | 78 Ų | 78 | 150 Ų | 150 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -65 | 67.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q43 A47 | Q43-G45 VanDerWaalsContact C-N 3.35Å; Q43-G45 PolarHBondContact O-N 3.09Å; G45-A47 VanDerWaalsContact C-N 3.28Å; G45-A47 PolarHBondContact O-N 3.34Å | ||
| 46 | R | 50.2 | Low | 61.1 | Low | 231 Ų | 231 | 142.3 Ų | 142.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -71.1 | 92.2 | 160.2 | -85 | -176.4 | 169.9 | 168.7 | 0.2 | 107.6 | S44 A48 | S44-R46 PolarHBondContact O-N 3.49Å; R46-A48 PolarHBondContact O-N 3.25Å | ||
| 47 | A | 56.3 | Low | 63.3 | Low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -43.1 | 118.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | G45 G49 | G45-A47 VanDerWaalsContact C-N 3.28Å; G45-A47 PolarHBondContact O-N 3.34Å; A47-G49 PolarHBondContact O-N 2.9Å | ||
| 48 | A | 59.1 | Low | 65.5 | Low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -69.9 | 79 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | R46 S50 | R46-A48 PolarHBondContact O-N 3.25Å; A48-S50 PolarHBondContact O-N 3.29Å | ||
| 49 | G | 63.8 | Low | 68 | Low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 126.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109 | A47 | A47-G49 PolarHBondContact O-N 2.9Š|
| 50 | S | 71.7 | Confident | 70.5 | Confident | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 132 | -173.2 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | A48 K52 | A48-S50 PolarHBondContact O-N 3.29Å; S50-K52 PolarHBondContact O-N 3.25Å |
| 51 | P | 75.4 | Confident | 73.1 | Confident | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118 | -169.5 | 20.2 | -32.3 | 0 | 0 | 0 | 109.9 | K53 | P51-K53 PolarHBondContact O-N 3.36Š|
| 52 | K | 78.4 | Confident | 75.2 | Confident | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 72% | 0.719 | S | S | * | * | trans | -51.6 | 114 | -177.1 | -75.3 | -177.1 | 177.5 | 177.5 | 0 | 109 | S50 R54 | S50-K52 PolarHBondContact O-N 3.25Å; K52-R54 PolarHBondContact O-N 2.91Å | ||
| 53 | K | 83.6 | Confident | 77.8 | Confident | 206 Ų | 206 | 131.8 Ų | 131.8 | 90% | 0.896 | 71% | 0.707 | S | S | * | * | trans | -54.9 | 109.7 | -178.3 | -71.8 | -178.1 | 179.2 | 176.2 | 0 | 109.4 | P51 R55 | P51-K53 PolarHBondContact O-N 3.36Å; K53-R55 PolarHBondContact O-N 3.3Å | ||
| 54 | R | 86.8 | Confident | 80 | Confident | 216 Ų | 216 | 126.5 Ų | 126.5 | 82% | 0.815 | 68% | 0.683 | S | S | * | * | trans | -61.7 | 111.3 | -175.7 | -172.3 | 176.2 | 71.2 | 173.9 | 0.5 | 110.2 | K52 | K52-R54 PolarHBondContact O-N 2.91Š| ||
| 55 | R | 92.6 | Very high | 82.5 | Confident | 232 Ų | 232 | 126.3 Ų | 126.3 | 88% | 0.875 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 132.9 | 176.1 | -171.4 | 175.5 | 179 | 178 | 0 | 109.9 | K53 | K53-R55 PolarHBondContact O-N 3.3Š|
| 56 | F | 94.4 | Very high | 84.8 | Confident | 77 Ų | 77 | 126.6 Ų | 126.6 | 34% | 0.338 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -73 | 149 | 171.1 | -70.3 | -87.6 | 0 | 0 | 0 | 110.6 | T60 R61 M64 | F56-T60 HydrophobicContact CD1-CG2 3.84Å; F56-R61 HydrophobicContact CB-CG 4.13Å; F56-R61 HydrophobicContact CD2-CG 4.06Å; F56-R61 HydrophobicContact CG-CG 4.1Å; F56-M64 HydrophobicContact CD1-CE 3.9Å; F56-M64 HydrophobicContact CE1-CE 3.68Å; F56-M64 HydrophobicContact CE1-SD 4.38Å; F56-M64 HydrophobicContact CG-CE 4.43Å; F56-M64 HydrophobicContact CZ-CE 4.05Å |
| 57 | R | 95.3 | Very high | 87.1 | Confident | 208 Ų | 208 | 124.3 Ų | 124.3 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 151.4 | 171.6 | -62.9 | 176.8 | 73 | -158.8 | 3.3 | 109.7 | T60 | R57-T60 WeakPolarHBondContact O-CB 3.24Å; R57-T60 PolarHBondContact O-N 2.94Å; R57-T60 VanDerWaalsContact O-N 3.11Å; R57-T60 PolarHBondContact O-OG1 3.27Å |
| 58 | P | 95.7 | Very high | 89.1 | Confident | 129 Ų | 129 | 126.1 Ų | 126.1 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 142.6 | 170.1 | -26.5 | 35.6 | 0 | 0 | 0 | 111.4 | T60 | P58-T60 PolarHBondContact O-N 2.9Å; P58-T60 VanDerWaalsContact O-N 3.14Å |
| 59 | G | 95.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 126.4 Ų | 126.4 | 45% | 0.454 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.3 | -28.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R61 A62 L63 | G59-R61 PolarHBondContact O-N 2.9Å; G59-A62 PolarHBondContact O-N 3.28Å; G59-L63 WeakPolarHBondContact O-CG 3.46Å; G59-L63 PolarHBondContact O-N 2.68Å |
| 60 | T | 97.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 130.9 Ų | 130.9 | 33% | 0.325 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.7 | -40.7 | -176.9 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | F56 R57 P58 M64 | F56-T60 HydrophobicContact CD1-CG2 3.84Å; R57-T60 WeakPolarHBondContact O-CB 3.24Å; R57-T60 PolarHBondContact O-N 2.94Å; R57-T60 VanDerWaalsContact O-N 3.11Å; R57-T60 PolarHBondContact O-OG1 3.27Å; P58-T60 PolarHBondContact O-N 2.9Å; P58-T60 VanDerWaalsContact O-N 3.14Å; T60-M64 HydrophobicContact CG2-CE 4.32Å; T60-M64 WeakPolarHBondContact O-CG 3.33Å; T60-M64 PolarHBondContact O-N 3.19Å |
| 61 | R | 96.4 | Very high | 93.8 | Very high | 150 Ų | 150 | 134.9 Ų | 134.9 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.7 | -45.6 | 174.1 | -81 | -167.5 | 175 | -172.8 | -1 | 112.6 | F56 G59 L63 M64 E65 | F56-R61 HydrophobicContact CB-CG 4.13Å; F56-R61 HydrophobicContact CD2-CG 4.06Å; F56-R61 HydrophobicContact CG-CG 4.1Å; G59-R61 PolarHBondContact O-N 2.9Å; R61-L63 VanDerWaalsContact C-N 3.3Å; R61-L63 PolarHBondContact O-N 2.8Å; R61-M64 HydrophobicContact CB-CE 4.43Å; R61-M64 HydrophobicContact CG-CE 3.9Å; R61-M64 WeakPolarHBondContact O-CB 3.34Å; R61-M64 PolarHBondContact O-N 3.31Å; R61-E65 WeakPolarHBondContact O-CG 3.35Å; R61-E65 PolarHBondContact O-N 2.97Å |
| 62 | A | 97.1 | Very high | 94.8 | Very high | 48 Ų | 48 | 130.7 Ų | 130.7 | 40% | 0.397 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.3 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G59 M64 E65 I66 | G59-A62 PolarHBondContact O-N 3.28Å; A62-M64 PolarHBondContact O-N 2.78Å; A62-E65 PolarHBondContact O-N 3.22Å; A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-I66 WeakPolarHBondContact O-CD1 3.49Å; A62-I66 WeakPolarHBondContact O-CG1 3.49Å; A62-I66 PolarHBondContact O-N 3Å |
| 63 | L | 97.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 127.6 Ų | 127.6 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.1 | -33.2 | 175.8 | -69.9 | 172.9 | 0 | 0 | 0 | 113.4 | G59 R61 R67 | G59-L63 WeakPolarHBondContact O-CG 3.46Å; G59-L63 PolarHBondContact O-N 2.68Å; R61-L63 VanDerWaalsContact C-N 3.3Å; R61-L63 PolarHBondContact O-N 2.8Å; L63-R67 WeakPolarHBondContact O-CD 3.44Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.47Å; L63-R67 PolarHBondContact O-N 3.28Å |
| 64 | M | 97.8 | Very high | 96.3 | Very high | 85 Ų | 85 | 123.5 Ų | 123.5 | 42% | 0.419 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.8 | -39.2 | 173.2 | -68.8 | -176 | -60.9 | 0 | 0 | 111.7 | F56 T60 R61 A62 R67 K68 | F56-M64 HydrophobicContact CD1-CE 3.9Å; F56-M64 HydrophobicContact CE1-CE 3.68Å; F56-M64 HydrophobicContact CE1-SD 4.38Å; F56-M64 HydrophobicContact CG-CE 4.43Å; F56-M64 HydrophobicContact CZ-CE 4.05Å; T60-M64 HydrophobicContact CG2-CE 4.32Å; T60-M64 WeakPolarHBondContact O-CG 3.33Å; T60-M64 PolarHBondContact O-N 3.19Å; R61-M64 HydrophobicContact CB-CE 4.43Å; R61-M64 HydrophobicContact CG-CE 3.9Å; R61-M64 WeakPolarHBondContact O-CB 3.34Å; R61-M64 PolarHBondContact O-N 3.31Å; A62-M64 PolarHBondContact O-N 2.78Å; M64-R67 PolarHBondContact O-N 3.48Å; M64-K68 WeakPolarHBondContact O-CB 3.32Å; M64-K68 PolarHBondContact O-N 2.91Å |
| 65 | E | 97.9 | Very high | 96.7 | Very high | 95 Ų | 95 | 116.1 Ų | 116.1 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -46.9 | 176.4 | -74.3 | 155.8 | -158.9 | 0 | 0 | 111.2 | R61 A62 R67 K68 Y69 | R61-E65 WeakPolarHBondContact O-CG 3.35Å; R61-E65 PolarHBondContact O-N 2.97Å; A62-E65 PolarHBondContact O-N 3.22Å; E65-R67 PolarHBondContact O-N 3.48Å; E65-K68 WeakPolarHBondContact O-CB 3.37Å; E65-K68 PolarHBondContact O-N 3.35Å; E65-K68 VanDerWaalsContact O-N 3.15Å; E65-Y69 HydrophobicContact CB-CD2 4.22Å; E65-Y69 HydrophobicContact CB-CE2 4.08Å; E65-Y69 HydrophobicContact CG-CE2 4.44Å; E65-Y69 WeakPolarHBondContact O-CD2 3.41Å; E65-Y69 PolarHBondContact O-N 3.5Å |
| 66 | I | 97.7 | Very high | 97 | Very high | 85 Ų | 85 | 109.8 Ų | 109.8 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -54.3 | -50.9 | 173.8 | -70.3 | 162.1 | 0 | 0 | 0 | 110.6 | A62 K68 Y69 Q70 | A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-I66 WeakPolarHBondContact O-CD1 3.49Å; A62-I66 WeakPolarHBondContact O-CG1 3.49Å; A62-I66 PolarHBondContact O-N 3Å; I66-K68 VanDerWaalsContact C-N 3.32Å; I66-K68 PolarHBondContact O-N 3.01Å; I66-Y69 PolarHBondContact O-N 3.4Å; I66-Q70 HydrophobicContact CG2-CG 4.36Å; I66-Q70 WeakPolarHBondContact O-CB 3.41Å; I66-Q70 VanDerWaalsContact O-CG 3.28Å; I66-Q70 WeakPolarHBondContact O-CG 3.45Å; I66-Q70 PolarHBondContact O-N 3.11Å |
| 67 | R | 98.3 | Very high | 97.1 | Very high | 183 Ų | 183 | 109 Ų | 109 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 178.7 | -72.2 | 172.6 | -178.3 | -176.4 | -0.2 | 113.3 | L63 M64 E65 | L63-R67 WeakPolarHBondContact O-CD 3.44Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.47Å; L63-R67 PolarHBondContact O-N 3.28Å; M64-R67 PolarHBondContact O-N 3.48Å; E65-R67 PolarHBondContact O-N 3.48Å |
| 68 | K | 97.9 | Very high | 97.2 | Very high | 131 Ų | 131 | 108.3 Ų | 108.3 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -54.6 | 175.1 | -179.9 | -169.5 | 172.1 | -169.4 | 0 | 110 | M64 E65 I66 Q70 K71 S72 | M64-K68 WeakPolarHBondContact O-CB 3.32Å; M64-K68 PolarHBondContact O-N 2.91Å; E65-K68 WeakPolarHBondContact O-CB 3.37Å; E65-K68 PolarHBondContact O-N 3.35Å; E65-K68 VanDerWaalsContact O-N 3.15Å; I66-K68 VanDerWaalsContact C-N 3.32Å; I66-K68 PolarHBondContact O-N 3.01Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-Q70 PolarHBondContact O-N 2.96Å; K68-K71 PolarHBondContact O-N 3.24Å; K68-S72 PolarHBondContact O-N 3.38Å; K68-S72 VanDerWaalsContact O-N 3.12Å; K68-S72 PolarHBondContact O-OG 3.4Å |
| 69 | Y | 97.8 | Very high | 97.3 | Very high | 109 Ų | 109 | 107.2 Ų | 107.2 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.1 | -24.7 | -173.8 | -65.9 | -56.1 | 0 | 0 | 0 | 113.8 | E65 I66 K71 S72 L76 | E65-Y69 HydrophobicContact CB-CD2 4.22Å; E65-Y69 HydrophobicContact CB-CE2 4.08Å; E65-Y69 HydrophobicContact CG-CE2 4.44Å; E65-Y69 WeakPolarHBondContact O-CD2 3.41Å; E65-Y69 PolarHBondContact O-N 3.5Å; I66-Y69 PolarHBondContact O-N 3.4Å; Y69-K71 VanDerWaalsContact C-N 3.28Å; Y69-S72 WeakPolarHBondContact CA-OG 3.49Å; Y69-L76 HydrophobicContact CD1-CD2 3.49Å; Y69-L76 VanDerWaalsContact CD1-CD2 3.49Å; Y69-L76 HydrophobicContact CE1-CD2 3.52Å; Y69-L76 HydrophobicContact CG-CD2 4.36Å |
| 70 | Q | 97.6 | Very high | 97.3 | Very high | 159 Ų | 159 | 109 Ų | 109 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.7 | 169.2 | -73.5 | 176.5 | -25.6 | 0 | 0 | 113.7 | I66 K68 | I66-Q70 HydrophobicContact CG2-CG 4.36Å; I66-Q70 WeakPolarHBondContact O-CB 3.41Å; I66-Q70 VanDerWaalsContact O-CG 3.28Å; I66-Q70 WeakPolarHBondContact O-CG 3.45Å; I66-Q70 PolarHBondContact O-N 3.11Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-Q70 PolarHBondContact O-N 2.96Å |
| 71 | K | 97.8 | Very high | 97.3 | Very high | 191 Ų | 191 | 109.4 Ų | 109.4 | 83% | 0.83 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -28.4 | 177.8 | -174.9 | 174.4 | 178.6 | -179.5 | 0 | 112.9 | K68 Y69 | K68-K71 PolarHBondContact O-N 3.24Å; Y69-K71 VanDerWaalsContact C-N 3.28Å |
| 72 | S | 96.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 103.3 Ų | 103.3 | 24% | 0.238 | 50% | 0.503 | C | S | . | . | trans | -91.3 | 152.4 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 112 | K68 Y69 | K68-S72 PolarHBondContact O-N 3.38Å; K68-S72 VanDerWaalsContact O-N 3.12Å; K68-S72 PolarHBondContact O-OG 3.4Å; Y69-S72 WeakPolarHBondContact CA-OG 3.49Å | ||
| 73 | T | 96.4 | Very high | 97.3 | Very high | 141 Ų | 141 | 102.1 Ų | 102.1 | 87% | 0.865 | 49% | 0.493 | S | S | * | . | trans | -116.1 | 28.7 | 170.7 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 74 | D | 96.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 104.6 Ų | 104.6 | 65% | 0.647 | 50% | 0.495 | S | S | * | . | trans | -79.6 | 138.6 | 178.2 | -61.6 | -59.4 | 0 | 0 | 0 | 111 | L76 | D74-L76 PolarHBondContact O-N 3.12Š| ||
| 75 | F | 97 | Very high | 97.2 | Very high | 60 Ų | 60 | 104.8 Ų | 104.8 | 26% | 0.263 | 50% | 0.497 | S | S | . | . | trans | -53.4 | 126.2 | 171.2 | -68.1 | -68.8 | 0 | 0 | 0 | 112 | L106 Q109 E110 | F75-L106 HydrophobicContact CE2-CD2 4.08Å; F75-L106 HydrophobicContact CZ-CD2 4.37Å; F75-Q109 HydrophobicContact CD1-CB 4.35Å; F75-Q109 HydrophobicContact CD1-CG 3.72Å; F75-Q109 HydrophobicContact CE1-CB 4.02Å; F75-Q109 HydrophobicContact CE1-CG 3.9Å; F75-E110 HydrophobicContact CE1-CB 4.29Å; F75-E110 WeakPolarHBondContact CE1-OE2 3.49Å; F75-E110 VanDerWaalsContact CZ-OE2 3.25Å; F75-E110 WeakPolarHBondContact CZ-OE2 3.15Å | ||
| 76 | L | 97 | Very high | 97.1 | Very high | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | trans | -88.8 | -27.1 | 178.6 | -55.9 | -175.6 | 0 | 0 | 0 | 111.8 | Y69 D74 E113 | Y69-L76 HydrophobicContact CD1-CD2 3.49Å; Y69-L76 VanDerWaalsContact CD1-CD2 3.49Å; Y69-L76 HydrophobicContact CE1-CD2 3.52Å; Y69-L76 HydrophobicContact CG-CD2 4.36Å; D74-L76 PolarHBondContact O-N 3.12Å; L76-E113 PolarHBondContact N-OE1 3.48Å; L76-E113 PolarHBondContact N-OE2 3.31Å | ||
| 77 | I | 97.1 | Very high | 96.8 | Very high | 61 Ų | 61 | 102.5 Ų | 102.5 | 31% | 0.313 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -84.9 | 136 | 174.5 | -54.2 | 177.3 | 0 | 0 | 0 | 109.4 | K79 F82 Q109 E113 L116 | I77-K79 PolarHBondContact O-N 2.94Å; I77-K79 VanDerWaalsContact O-N 3.09Å; I77-F82 HydrophobicContact CG2-CB 4.04Å; I77-F82 HydrophobicContact CG2-CD2 4.44Å; I77-Q109 PolarHBondContact O-NE2 3.01Å; I77-E113 VanDerWaalsContact CB-OE1 3.27Å; I77-E113 WeakPolarHBondContact CB-OE1 3.44Å; I77-E113 HydrophobicContact CD1-CG 3.78Å; I77-E113 HydrophobicContact CG1-CG 3.98Å; I77-E113 PolarHBondContact N-OE1 2.89Å; I77-L116 HydrophobicContact CD1-CD1 4.4Å |
| 78 | R | 98 | Very high | 96.6 | Very high | 192 Ų | 192 | 99.9 Ų | 99.9 | 73% | 0.725 | 48% | 0.476 | S | S | * | . | trans | -65.9 | 114.2 | 177.3 | -173.8 | 178.7 | -64.2 | -150.9 | 1.5 | 110 | T80 S81 F82 | R78-T80 PolarHBondContact O-N 3.02Å; R78-S81 WeakPolarHBondContact O-CA 3.49Å; R78-S81 WeakPolarHBondContact O-CB 3.49Å; R78-S81 PolarHBondContact O-N 3.43Å; R78-F82 PolarHBondContact O-N 3.04Å; R78-F82 VanDerWaalsContact O-N 3.1Å | ||
| 79 | K | 96.6 | Very high | 96.4 | Very high | 107 Ų | 107 | 97 Ų | 97 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -42.9 | -45.5 | -178.9 | -62.7 | -174.3 | 174.9 | -176.4 | 0 | 114 | I77 S81 F82 A83 L106 | I77-K79 PolarHBondContact O-N 2.94Å; I77-K79 VanDerWaalsContact O-N 3.09Å; K79-S81 VanDerWaalsContact C-N 3.35Å; K79-S81 PolarHBondContact O-N 3.23Å; K79-F82 PolarHBondContact O-N 3.39Å; K79-A83 VanDerWaalsContact O-CB 3.26Å; K79-A83 WeakPolarHBondContact O-CB 3.47Å; K79-A83 PolarHBondContact O-N 3.14Å; K79-L106 HydrophobicContact CD-CD2 4.01Å |
| 80 | T | 96.6 | Very high | 96.1 | Very high | 81 Ų | 81 | 93.4 Ų | 93.4 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.6 | -31.8 | 179.9 | -30.9 | 0 | 0 | 0 | 0 | 113.7 | R78 R84 | R78-T80 PolarHBondContact O-N 3.02Å; T80-R84 WeakPolarHBondContact O-CG 3.47Å; T80-R84 PolarHBondContact O-N 2.93Å; T80-R84 PolarHBondContact O-NH1 3.39Å |
| 81 | S | 97.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 43% | 0.427 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -76.8 | -43.9 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | R78 K79 A83 R84 L85 | R78-S81 WeakPolarHBondContact O-CA 3.49Å; R78-S81 WeakPolarHBondContact O-CB 3.49Å; R78-S81 PolarHBondContact O-N 3.43Å; K79-S81 VanDerWaalsContact C-N 3.35Å; K79-S81 PolarHBondContact O-N 3.23Å; S81-A83 PolarHBondContact O-N 3.45Å; S81-R84 PolarHBondContact O-N 3.16Å; S81-L85 PolarHBondContact O-N 3.5Å; S81-L85 VanDerWaalsContact O-N 3.12Å |
| 82 | F | 97.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 89 Ų | 89 | 10% | 0.101 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.7 | -172.4 | -95.8 | 0 | 0 | 0 | 111.9 | I77 R78 K79 R84 L85 V86 L108 Q109 A112 | I77-F82 HydrophobicContact CG2-CB 4.04Å; I77-F82 HydrophobicContact CG2-CD2 4.44Å; R78-F82 PolarHBondContact O-N 3.04Å; R78-F82 VanDerWaalsContact O-N 3.1Å; K79-F82 PolarHBondContact O-N 3.39Å; F82-R84 VanDerWaalsContact C-N 3.25Å; F82-R84 PolarHBondContact O-N 2.96Å; F82-L85 PolarHBondContact O-N 3.04Å; F82-L85 VanDerWaalsContact O-N 3.16Å; F82-V86 HydrophobicContact CD1-CG2 3.87Å; F82-V86 HydrophobicContact CE1-CG2 3.45Å; F82-V86 VanDerWaalsContact CE1-CG2 3.45Å; F82-V86 HydrophobicContact CZ-CG2 3.84Å; F82-V86 WeakPolarHBondContact O-CG2 3.35Å; F82-V86 PolarHBondContact O-N 2.92Å; F82-L108 HydrophobicContact CE1-CB 4.02Å; F82-L108 HydrophobicContact CZ-CB 4.31Å; F82-Q109 HydrophobicContact CD1-CB 3.65Å; F82-Q109 HydrophobicContact CD1-CG 3.88Å; F82-Q109 HydrophobicContact CD2-CG 4.27Å; F82-Q109 VanDerWaalsContact CE1-CA 3.44Å; F82-Q109 HydrophobicContact CE1-CB 3.55Å; F82-Q109 HydrophobicContact CE1-CG 4.12Å; F82-Q109 HydrophobicContact CE2-CG 4.49Å; F82-Q109 HydrophobicContact CG-CB 4.26Å; F82-Q109 HydrophobicContact CG-CG 3.97Å; F82-Q109 HydrophobicContact CZ-CB 4.08Å; F82-Q109 HydrophobicContact CZ-CG 4.42Å; F82-A112 HydrophobicContact CE2-CB 3.82Å; F82-A112 HydrophobicContact CZ-CB 3.91Å |
| 83 | A | 96.4 | Very high | 95 | Very high | 22 Ų | 22 | 95.7 Ų | 95.7 | 18% | 0.182 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.5 | -23.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K79 S81 R87 L105 | K79-A83 VanDerWaalsContact O-CB 3.26Å; K79-A83 WeakPolarHBondContact O-CB 3.47Å; K79-A83 PolarHBondContact O-N 3.14Å; S81-A83 PolarHBondContact O-N 3.45Å; A83-R87 VanDerWaalsContact O-CD 3.3Å; A83-R87 WeakPolarHBondContact O-CD 3.33Å; A83-R87 VanDerWaalsContact O-CG 3.28Å; A83-R87 WeakPolarHBondContact O-CG 3.32Å; A83-L105 HydrophobicContact CB-CD1 4.17Å |
| 84 | R | 96 | Very high | 94.4 | Very high | 156 Ų | 156 | 90.6 Ų | 90.6 | 59% | 0.589 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -75 | -48.8 | 170.1 | -72.5 | -179.3 | -167.6 | 105.6 | -7.5 | 110.7 | T80 S81 F82 V86 R87 E88 | T80-R84 WeakPolarHBondContact O-CG 3.47Å; T80-R84 PolarHBondContact O-N 2.93Å; T80-R84 PolarHBondContact O-NH1 3.39Å; S81-R84 PolarHBondContact O-N 3.16Å; F82-R84 VanDerWaalsContact C-N 3.25Å; F82-R84 PolarHBondContact O-N 2.96Å; R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 PolarHBondContact O-N 2.91Å; R84-R87 PolarHBondContact O-N 3.36Å; R84-E88 PolarHBondContact O-N 2.77Å |
| 85 | L | 96.3 | Very high | 93.4 | Very high | 89 Ų | 89 | 93.3 Ų | 93.3 | 47% | 0.466 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 177.9 | 178.5 | 64.3 | 0 | 0 | 0 | 112.3 | S81 F82 R87 E88 V89 | S81-L85 PolarHBondContact O-N 3.5Å; S81-L85 VanDerWaalsContact O-N 3.12Å; F82-L85 PolarHBondContact O-N 3.04Å; F82-L85 VanDerWaalsContact O-N 3.16Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 3.2Å; L85-E88 PolarHBondContact O-N 2.89Å; L85-V89 HydrophobicContact CD1-CG2 4.12Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 WeakPolarHBondContact O-CB 3.4Å; L85-V89 WeakPolarHBondContact O-CG2 3.49Å; L85-V89 PolarHBondContact O-N 2.97Å |
| 86 | V | 95.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 96.5 Ų | 96.5 | 9% | 0.091 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | F82 R84 C90 W100 L105 L108 | F82-V86 HydrophobicContact CD1-CG2 3.87Å; F82-V86 HydrophobicContact CE1-CG2 3.45Å; F82-V86 VanDerWaalsContact CE1-CG2 3.45Å; F82-V86 HydrophobicContact CZ-CG2 3.84Å; F82-V86 WeakPolarHBondContact O-CG2 3.35Å; F82-V86 PolarHBondContact O-N 2.92Å; R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 PolarHBondContact O-N 2.91Å; V86-C90 WeakPolarHBondContact O-CB 3.29Å; V86-C90 PolarHBondContact O-N 3.36Å; V86-C90 PolarHBondContact O-SG 3.11Å; V86-W100 HydrophobicContact CG1-CE3 4.41Å; V86-W100 HydrophobicContact CG1-CH2 3.49Å; V86-W100 VanDerWaalsContact CG1-CH2 3.49Å; V86-W100 HydrophobicContact CG1-CZ2 3.7Å; V86-W100 HydrophobicContact CG1-CZ3 3.89Å; V86-L105 HydrophobicContact CB-CD2 4.21Å; V86-L105 HydrophobicContact CG1-CD2 3.83Å; V86-L108 HydrophobicContact CG1-CD1 3.83Å; V86-L108 HydrophobicContact CG2-CD1 4.42Å |
| 87 | R | 93.2 | Very high | 91.9 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.6 | -41 | 179.3 | -69.5 | 169.4 | -174.6 | -91.7 | 2.7 | 112.2 | A83 R84 L85 C90 Q91 | A83-R87 VanDerWaalsContact O-CD 3.3Å; A83-R87 WeakPolarHBondContact O-CD 3.33Å; A83-R87 VanDerWaalsContact O-CG 3.28Å; A83-R87 WeakPolarHBondContact O-CG 3.32Å; R84-R87 PolarHBondContact O-N 3.36Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 3.2Å; R87-C90 PolarHBondContact O-N 3.39Å; R87-Q91 WeakPolarHBondContact O-CB 3.42Å; R87-Q91 PolarHBondContact O-N 3.5Å |
| 88 | E | 93.6 | Very high | 91.5 | Very high | 128 Ų | 128 | 98.6 Ų | 98.6 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -49.7 | 175.3 | -177.5 | -175.6 | 160.5 | 0 | 0 | 111.2 | R84 L85 C90 Q91 | R84-E88 PolarHBondContact O-N 2.77Å; L85-E88 PolarHBondContact O-N 2.89Å; E88-C90 PolarHBondContact O-N 2.79Å; E88-Q91 WeakPolarHBondContact O-CB 3.32Å; E88-Q91 PolarHBondContact O-N 2.75Å |
| 89 | V | 93.5 | Very high | 91.2 | Very high | 72 Ų | 72 | 101.1 Ų | 101.1 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L85 Q91 S92 F93 | L85-V89 HydrophobicContact CD1-CG2 4.12Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 WeakPolarHBondContact O-CB 3.4Å; L85-V89 WeakPolarHBondContact O-CG2 3.49Å; L85-V89 PolarHBondContact O-N 2.97Å; V89-Q91 VanDerWaalsContact C-N 3.29Å; V89-Q91 PolarHBondContact O-N 3.26Å; V89-S92 WeakPolarHBondContact O-CB 3.37Å; V89-S92 PolarHBondContact O-N 3.26Å; V89-F93 HydrophobicContact CG1-CE2 3.9Å; V89-F93 WeakPolarHBondContact O-CD2 3.29Å; V89-F93 WeakPolarHBondContact O-CE2 3.27Å |
| 90 | C | 91.9 | Very high | 91 | Very high | 32 Ų | 32 | 99.1 Ų | 99.1 | 22% | 0.216 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.5 | -22.4 | -178.1 | -69.3 | 0 | 0 | 0 | 0 | 114.5 | V86 R87 E88 S92 F93 S94 L98 W100 | V86-C90 WeakPolarHBondContact O-CB 3.29Å; V86-C90 PolarHBondContact O-N 3.36Å; V86-C90 PolarHBondContact O-SG 3.11Å; R87-C90 PolarHBondContact O-N 3.39Å; E88-C90 PolarHBondContact O-N 2.79Å; C90-S92 PolarHBondContact O-N 2.92Å; C90-F93 PolarHBondContact O-N 3.37Å; C90-F93 VanDerWaalsContact O-N 3.09Å; C90-S94 PolarHBondContact O-N 3.25Å; C90-L98 HydrophobicContact CB-CD1 4.08Å; C90-W100 HydrophobicContact CB-CZ2 3.99Å; C90-W100 VanDerWaalsContact SG-CZ2 3.6Å |
| 91 | Q | 90.4 | Very high | 91 | Very high | 155 Ų | 155 | 101.9 Ų | 101.9 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -27.1 | 173.4 | -174.4 | 172.3 | -4.2 | 0 | 0 | 112.1 | R87 E88 V89 F93 | R87-Q91 WeakPolarHBondContact O-CB 3.42Å; R87-Q91 PolarHBondContact O-N 3.5Å; E88-Q91 WeakPolarHBondContact O-CB 3.32Å; E88-Q91 PolarHBondContact O-N 2.75Å; V89-Q91 VanDerWaalsContact C-N 3.29Å; V89-Q91 PolarHBondContact O-N 3.26Å; Q91-F93 VanDerWaalsContact C-N 3.25Å; Q91-F93 PolarHBondContact O-N 2.94Å |
| 92 | S | 89.8 | Confident | 90.9 | Very high | 102 Ų | 102 | 104 Ų | 104 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.5 | 174 | -56.5 | 0 | 0 | 0 | 0 | 114.1 | V89 C90 | V89-S92 WeakPolarHBondContact O-CB 3.37Å; V89-S92 PolarHBondContact O-N 3.26Å; C90-S92 PolarHBondContact O-N 2.92Å |
| 93 | F | 87.4 | Confident | 90.9 | Very high | 175 Ų | 175 | 111.1 Ų | 111.1 | 77% | 0.768 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -10.4 | -176.6 | -60.9 | -82.2 | 0 | 0 | 0 | 113.9 | V89 C90 Q91 | V89-F93 HydrophobicContact CG1-CE2 3.9Å; V89-F93 WeakPolarHBondContact O-CD2 3.29Å; V89-F93 WeakPolarHBondContact O-CE2 3.27Å; C90-F93 PolarHBondContact O-N 3.37Å; C90-F93 VanDerWaalsContact O-N 3.09Å; Q91-F93 VanDerWaalsContact C-N 3.25Å; Q91-F93 PolarHBondContact O-N 2.94Å |
| 94 | S | 83.8 | Confident | 90.9 | Very high | 35 Ų | 35 | 111.9 Ų | 111.9 | 25% | 0.245 | 55% | 0.553 | C | S | . | * | trans | -139.8 | 124.5 | -178.4 | 173 | 0 | 0 | 0 | 0 | 111 | C90 N96 | C90-S94 PolarHBondContact O-N 3.25Å; S94-N96 PolarHBondContact O-N 3.02Å; S94-N96 PolarHBondContact OG-N 2.86Å; S94-N96 PolarHBondContact OG-O 3.5Å | ||
| 95 | I | 76.4 | Confident | 91 | Very high | 178 Ų | 178 | 105.6 Ų | 105.6 | 91% | 0.913 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -62.9 | -33.3 | 171.8 | -61.2 | 161.4 | 0 | 0 | 0 | 110.7 | ||
| 96 | N | 81.8 | Confident | 91 | Very high | 126 Ų | 126 | 103.6 Ų | 103.6 | 67% | 0.674 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -90.2 | 148 | -178 | -67.9 | -25 | 0 | 0 | 0 | 112.1 | S94 L98 | S94-N96 PolarHBondContact O-N 3.02Å; S94-N96 PolarHBondContact OG-N 2.86Å; S94-N96 PolarHBondContact OG-O 3.5Å; N96-L98 PolarHBondContact O-N 2.84Å; N96-L98 VanDerWaalsContact O-N 3.17Å |
| 97 | S | 80.9 | Confident | 91.1 | Very high | 119 Ų | 119 | 105.8 Ų | 105.8 | 83% | 0.832 | 54% | 0.54 | S | S | * | . | trans | -72.2 | 106.2 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | R99 | S97-R99 PolarHBondContact O-N 3.42Š| ||
| 98 | L | 88.7 | Confident | 91.3 | Very high | 86 Ų | 86 | 104 Ų | 104 | 45% | 0.45 | 54% | 0.539 | S | S | . | . | trans | -68.1 | 131.7 | 178.5 | -63 | 173.9 | 0 | 0 | 0 | 111.9 | C90 N96 W100 | C90-L98 HydrophobicContact CB-CD1 4.08Å; N96-L98 PolarHBondContact O-N 2.84Å; N96-L98 VanDerWaalsContact O-N 3.17Å; L98-W100 HydrophobicContact CD1-CZ2 4.49Å; L98-W100 VanDerWaalsContact O-CD1 3.25Å | ||
| 99 | R | 91.4 | Very high | 91.5 | Very high | 246 Ų | 246 | 98 Ų | 98 | 93% | 0.928 | 51% | 0.511 | S | S | * | . | trans | -84.3 | 141.8 | 167.6 | -68.3 | -175.5 | 178.6 | 168.1 | 0.7 | 109.6 | S97 | S97-R99 PolarHBondContact O-N 3.42Š| ||
| 100 | W | 93 | Very high | 91.8 | Very high | 65 Ų | 65 | 99.9 Ų | 99.9 | 25% | 0.246 | 52% | 0.515 | C | S | . | . | trans | -124.1 | 127.4 | -173.2 | -72.5 | 86.1 | 0 | 0 | 0 | 111.3 | V86 C90 L98 L105 L108 | V86-W100 HydrophobicContact CG1-CE3 4.41Å; V86-W100 HydrophobicContact CG1-CH2 3.49Å; V86-W100 VanDerWaalsContact CG1-CH2 3.49Å; V86-W100 HydrophobicContact CG1-CZ2 3.7Å; V86-W100 HydrophobicContact CG1-CZ3 3.89Å; C90-W100 HydrophobicContact CB-CZ2 3.99Å; C90-W100 VanDerWaalsContact SG-CZ2 3.6Å; L98-W100 HydrophobicContact CD1-CZ2 4.49Å; L98-W100 VanDerWaalsContact O-CD1 3.25Å; W100-L105 HydrophobicContact CB-CD1 4.02Å; W100-L105 HydrophobicContact CB-CD2 4.39Å; W100-L105 HydrophobicContact CB-CG 4.15Å; W100-L105 HydrophobicContact CD2-CD2 3.82Å; W100-L105 HydrophobicContact CD2-CG 4.4Å; W100-L105 HydrophobicContact CE3-CD2 3.52Å; W100-L105 HydrophobicContact CE3-CG 4.03Å; W100-L105 HydrophobicContact CG-CD2 4.21Å; W100-L105 HydrophobicContact CG-CG 4.5Å; W100-L105 HydrophobicContact CZ3-CD2 4.13Å; W100-L108 HydrophobicContact CH2-CD1 3.98Å; W100-L108 HydrophobicContact CZ3-CD1 3.57Å | ||
| 101 | Q | 96.6 | Very high | 92.1 | Very high | 139 Ų | 139 | 101.3 Ų | 101.3 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | trans | -77.1 | 143.8 | 167.9 | -168.7 | 170.8 | 4 | 0 | 0 | 110.1 | Y103 A104 L105 | Q101-Y103 VanDerWaalsContact C-N 3.33Å; Q101-Y103 PolarHBondContact O-N 3.3Å; Q101-A104 HydrophobicContact CB-CB 4.35Å; Q101-A104 WeakPolarHBondContact O-CB 3.35Å; Q101-A104 PolarHBondContact O-N 3.45Å; Q101-A104 VanDerWaalsContact O-N 3.16Å; Q101-L105 PolarHBondContact O-N 3.5Å | ||
| 102 | V | 95.5 | Very high | 92.4 | Very high | 104 Ų | 104 | 95.4 Ų | 95.4 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.1 | -43.9 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | A104 L105 L106 | V102-A104 VanDerWaalsContact C-N 3.32Å; V102-A104 PolarHBondContact O-N 3.25Å; V102-L105 PolarHBondContact O-N 3.06Å; V102-L106 HydrophobicContact CG1-CD1 4.23Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.47Å |
| 103 | Y | 97.1 | Very high | 92.8 | Very high | 173 Ų | 173 | 91.7 Ų | 91.7 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64 | -32.5 | 178.1 | -64.7 | -71.6 | 0 | 0 | 0 | 113.6 | Q101 L106 A107 | Q101-Y103 VanDerWaalsContact C-N 3.33Å; Q101-Y103 PolarHBondContact O-N 3.3Å; Y103-L106 HydrophobicContact CD1-CD1 4.45Å; Y103-L106 PolarHBondContact O-N 2.97Å; Y103-A107 WeakPolarHBondContact O-CB 3.21Å; Y103-A107 PolarHBondContact O-N 3.35Å |
| 104 | A | 96.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 86 Ų | 86 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q101 V102 L106 A107 L108 | Q101-A104 HydrophobicContact CB-CB 4.35Å; Q101-A104 WeakPolarHBondContact O-CB 3.35Å; Q101-A104 PolarHBondContact O-N 3.45Å; Q101-A104 VanDerWaalsContact O-N 3.16Å; V102-A104 VanDerWaalsContact C-N 3.32Å; V102-A104 PolarHBondContact O-N 3.25Å; A104-L106 VanDerWaalsContact C-N 3.34Å; A104-L106 PolarHBondContact O-N 3.17Å; A104-A107 PolarHBondContact O-N 3.33Å; A104-L108 WeakPolarHBondContact O-CG 3.45Å; A104-L108 PolarHBondContact O-N 2.95Å |
| 105 | L | 96.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 88.7 Ų | 88.7 | 12% | 0.12 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 174.8 | -67 | 173.1 | 0 | 0 | 0 | 112.2 | A83 V86 W100 Q101 V102 Q109 | A83-L105 HydrophobicContact CB-CD1 4.17Å; V86-L105 HydrophobicContact CB-CD2 4.21Å; V86-L105 HydrophobicContact CG1-CD2 3.83Å; W100-L105 HydrophobicContact CB-CD1 4.02Å; W100-L105 HydrophobicContact CB-CD2 4.39Å; W100-L105 HydrophobicContact CB-CG 4.15Å; W100-L105 HydrophobicContact CD2-CD2 3.82Å; W100-L105 HydrophobicContact CD2-CG 4.4Å; W100-L105 HydrophobicContact CE3-CD2 3.52Å; W100-L105 HydrophobicContact CE3-CG 4.03Å; W100-L105 HydrophobicContact CG-CD2 4.21Å; W100-L105 HydrophobicContact CG-CG 4.5Å; W100-L105 HydrophobicContact CZ3-CD2 4.13Å; Q101-L105 PolarHBondContact O-N 3.5Å; V102-L105 PolarHBondContact O-N 3.06Å; L105-Q109 WeakPolarHBondContact O-CB 3.38Å; L105-Q109 PolarHBondContact O-N 2.98Å; L105-Q109 VanDerWaalsContact O-N 3.09Å |
| 106 | L | 97.5 | Very high | 94.8 | Very high | 47 Ų | 47 | 84.1 Ų | 84.1 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.1 | -43 | 174.8 | -67.2 | 174.2 | 0 | 0 | 0 | 112 | F75 K79 V102 Y103 A104 L108 Q109 E110 | F75-L106 HydrophobicContact CE2-CD2 4.08Å; F75-L106 HydrophobicContact CZ-CD2 4.37Å; K79-L106 HydrophobicContact CD-CD2 4.01Å; V102-L106 HydrophobicContact CG1-CD1 4.23Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.47Å; Y103-L106 HydrophobicContact CD1-CD1 4.45Å; Y103-L106 PolarHBondContact O-N 2.97Å; A104-L106 VanDerWaalsContact C-N 3.34Å; A104-L106 PolarHBondContact O-N 3.17Å; L106-L108 PolarHBondContact O-N 3.09Å; L106-Q109 PolarHBondContact O-N 3.33Å; L106-Q109 VanDerWaalsContact O-N 3.14Å; L106-E110 WeakPolarHBondContact O-CB 3.19Å; L106-E110 PolarHBondContact O-N 3.31Å |
| 107 | A | 98 | Very high | 95.6 | Very high | 62 Ų | 62 | 82.6 Ų | 82.6 | 51% | 0.512 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y103 A104 Q109 E110 A111 | Y103-A107 WeakPolarHBondContact O-CB 3.21Å; Y103-A107 PolarHBondContact O-N 3.35Å; A104-A107 PolarHBondContact O-N 3.33Å; A107-Q109 VanDerWaalsContact C-N 3.32Å; A107-Q109 PolarHBondContact O-N 2.91Å; A107-E110 PolarHBondContact O-N 2.85Å; A107-A111 WeakPolarHBondContact O-CB 3.41Å; A107-A111 PolarHBondContact O-N 3.32Å |
| 108 | L | 97.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 81.7 Ų | 81.7 | 41% | 0.408 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 171.8 | -73.5 | 175.6 | 0 | 0 | 0 | 112.1 | F82 V86 W100 A104 L106 A112 | F82-L108 HydrophobicContact CE1-CB 4.02Å; F82-L108 HydrophobicContact CZ-CB 4.31Å; V86-L108 HydrophobicContact CG1-CD1 3.83Å; V86-L108 HydrophobicContact CG2-CD1 4.42Å; W100-L108 HydrophobicContact CH2-CD1 3.98Å; W100-L108 HydrophobicContact CZ3-CD1 3.57Å; A104-L108 WeakPolarHBondContact O-CG 3.45Å; A104-L108 PolarHBondContact O-N 2.95Å; L106-L108 PolarHBondContact O-N 3.09Å; L108-A112 VanDerWaalsContact O-CB 3.26Å; L108-A112 WeakPolarHBondContact O-CB 3.32Å; L108-A112 PolarHBondContact O-N 3.43Å |
| 109 | Q | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 78.3 Ų | 78.3 | 1% | 0.014 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69 | -42.5 | 178.3 | -167.5 | 172 | -20.2 | 0 | 0 | 111.9 | F75 I77 F82 L105 L106 A107 A112 E113 | F75-Q109 HydrophobicContact CD1-CB 4.35Å; F75-Q109 HydrophobicContact CD1-CG 3.72Å; F75-Q109 HydrophobicContact CE1-CB 4.02Å; F75-Q109 HydrophobicContact CE1-CG 3.9Å; I77-Q109 PolarHBondContact O-NE2 3.01Å; F82-Q109 HydrophobicContact CD1-CB 3.65Å; F82-Q109 HydrophobicContact CD1-CG 3.88Å; F82-Q109 HydrophobicContact CD2-CG 4.27Å; F82-Q109 VanDerWaalsContact CE1-CA 3.44Å; F82-Q109 HydrophobicContact CE1-CB 3.55Å; F82-Q109 HydrophobicContact CE1-CG 4.12Å; F82-Q109 HydrophobicContact CE2-CG 4.49Å; F82-Q109 HydrophobicContact CG-CB 4.26Å; F82-Q109 HydrophobicContact CG-CG 3.97Å; F82-Q109 HydrophobicContact CZ-CB 4.08Å; F82-Q109 HydrophobicContact CZ-CG 4.42Å; L105-Q109 WeakPolarHBondContact O-CB 3.38Å; L105-Q109 PolarHBondContact O-N 2.98Å; L105-Q109 VanDerWaalsContact O-N 3.09Å; L106-Q109 PolarHBondContact O-N 3.33Å; L106-Q109 VanDerWaalsContact O-N 3.14Å; A107-Q109 VanDerWaalsContact C-N 3.32Å; A107-Q109 PolarHBondContact O-N 2.91Å; Q109-A112 PolarHBondContact O-N 2.99Å; Q109-E113 HydrophobicContact CG-CG 4.4Å; Q109-E113 PolarHBondContact NE2-OE1 3.15Å; Q109-E113 PolarHBondContact O-N 3.44Å |
| 110 | E | 98.1 | Very high | 96.9 | Very high | 110 Ų | 110 | 71 Ų | 71 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.1 | -51.8 | 175.5 | -168.5 | 70.1 | -164.5 | 0 | 0 | 110.8 | F75 L106 A107 A112 E113 A114 | F75-E110 HydrophobicContact CE1-CB 4.29Å; F75-E110 WeakPolarHBondContact CE1-OE2 3.49Å; F75-E110 VanDerWaalsContact CZ-OE2 3.25Å; F75-E110 WeakPolarHBondContact CZ-OE2 3.15Å; L106-E110 WeakPolarHBondContact O-CB 3.19Å; L106-E110 PolarHBondContact O-N 3.31Å; A107-E110 PolarHBondContact O-N 2.85Å; E110-A112 PolarHBondContact O-N 3.45Å; E110-E113 PolarHBondContact O-N 2.94Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3.39Å |
| 111 | A | 97.9 | Very high | 97.1 | Very high | 63 Ų | 63 | 70.9 Ų | 70.9 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A107 F115 | A107-A111 WeakPolarHBondContact O-CB 3.41Å; A107-A111 PolarHBondContact O-N 3.32Å; A111-F115 VanDerWaalsContact O-CB 3.29Å; A111-F115 WeakPolarHBondContact O-CB 3.48Å; A111-F115 PolarHBondContact O-N 3.02Å |
| 112 | A | 97.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.1 | -46.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F82 L108 Q109 E110 F115 L116 | F82-A112 HydrophobicContact CE2-CB 3.82Å; F82-A112 HydrophobicContact CZ-CB 3.91Å; L108-A112 VanDerWaalsContact O-CB 3.26Å; L108-A112 WeakPolarHBondContact O-CB 3.32Å; L108-A112 PolarHBondContact O-N 3.43Å; Q109-A112 PolarHBondContact O-N 2.99Å; E110-A112 PolarHBondContact O-N 3.45Å; A112-F115 PolarHBondContact O-N 2.94Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.07Å; A112-L116 PolarHBondContact O-N 2.87Å |
| 113 | E | 98 | Very high | 97.3 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 178.1 | -71.6 | -166.6 | -144.4 | 0 | 0 | 111.5 | L76 I77 Q109 E110 F115 L116 V117 | L76-E113 PolarHBondContact N-OE1 3.48Å; L76-E113 PolarHBondContact N-OE2 3.31Å; I77-E113 VanDerWaalsContact CB-OE1 3.27Å; I77-E113 WeakPolarHBondContact CB-OE1 3.44Å; I77-E113 HydrophobicContact CD1-CG 3.78Å; I77-E113 HydrophobicContact CG1-CG 3.98Å; I77-E113 PolarHBondContact N-OE1 2.89Å; Q109-E113 HydrophobicContact CG-CG 4.4Å; Q109-E113 PolarHBondContact NE2-OE1 3.15Å; Q109-E113 PolarHBondContact O-N 3.44Å; E110-E113 PolarHBondContact O-N 2.94Å; E113-F115 PolarHBondContact O-N 3.4Å; E113-L116 PolarHBondContact O-N 2.9Å; E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 3Å |
| 114 | A | 97.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E110 L116 L118 | E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3.39Å; A114-L116 PolarHBondContact O-N 2.98Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 3.22Å |
| 115 | F | 96.3 | Very high | 97.3 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.5 | 175.6 | -97.9 | 0 | 0 | 0 | 112.3 | A111 A112 E113 L118 L119 | A111-F115 VanDerWaalsContact O-CB 3.29Å; A111-F115 WeakPolarHBondContact O-CB 3.48Å; A111-F115 PolarHBondContact O-N 3.02Å; A112-F115 PolarHBondContact O-N 2.94Å; E113-F115 PolarHBondContact O-N 3.4Å; F115-L118 PolarHBondContact O-N 3.49Å; F115-L119 HydrophobicContact CE1-CD2 4.07Å; F115-L119 HydrophobicContact CZ-CD2 4.3Å; F115-L119 WeakPolarHBondContact O-CB 3.5Å; F115-L119 PolarHBondContact O-N 3.24Å |
| 116 | L | 96.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 179.7 | -72 | 172.9 | 0 | 0 | 0 | 112.3 | I77 A112 E113 A114 L118 L119 L120 | I77-L116 HydrophobicContact CD1-CD1 4.4Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.07Å; A112-L116 PolarHBondContact O-N 2.87Å; E113-L116 PolarHBondContact O-N 2.9Å; A114-L116 PolarHBondContact O-N 2.98Å; L116-L118 VanDerWaalsContact C-N 3.35Å; L116-L119 PolarHBondContact O-N 2.72Å; L116-L120 WeakPolarHBondContact O-CB 3.26Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 3.43Å |
| 117 | V | 97 | Very high | 97.4 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.4 | -46.9 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | E113 L119 L120 S121 | E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 3Å; V117-L119 PolarHBondContact O-N 2.72Å; V117-L120 PolarHBondContact O-N 2.91Å; V117-S121 PolarHBondContact O-N 3.32Å |
| 118 | L | 95.8 | Very high | 97.5 | Very high | 100 Ų | 100 | 59 Ų | 59 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 179.2 | -179.7 | 56.4 | 0 | 0 | 0 | 111.7 | A114 F115 L116 S121 R147 | A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 3.22Å; F115-L118 PolarHBondContact O-N 3.49Å; L116-L118 VanDerWaalsContact C-N 3.35Å; L118-S121 WeakPolarHBondContact O-CB 3.39Å; L118-R147 PolarHBondContact O-NH2 3.09Å |
| 119 | L | 96.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 176.3 | 179 | 60.8 | 0 | 0 | 0 | 112.7 | F115 L116 V117 S121 D122 A123 I140 A143 R144 | F115-L119 HydrophobicContact CE1-CD2 4.07Å; F115-L119 HydrophobicContact CZ-CD2 4.3Å; F115-L119 WeakPolarHBondContact O-CB 3.5Å; F115-L119 PolarHBondContact O-N 3.24Å; L116-L119 PolarHBondContact O-N 2.72Å; V117-L119 PolarHBondContact O-N 2.72Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.4Å; L119-D122 PolarHBondContact O-N 3.39Å; L119-A123 PolarHBondContact O-N 2.94Å; L119-I140 HydrophobicContact CD2-CG2 4.07Å; L119-I140 HydrophobicContact CG-CG2 4.36Å; L119-A143 HydrophobicContact CD1-CB 3.97Å; L119-R144 HydrophobicContact CD1-CG 4.06Å; L119-R144 HydrophobicContact CD2-CG 4.38Å |
| 120 | L | 97.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.2 | -29 | 177.1 | -73.2 | 169.5 | 0 | 0 | 0 | 112.5 | L116 V117 A123 N124 I140 | L116-L120 WeakPolarHBondContact O-CB 3.26Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 3.43Å; V117-L120 PolarHBondContact O-N 2.91Å; L120-A123 PolarHBondContact O-N 3.05Å; L120-N124 WeakPolarHBondContact O-CB 3.27Å; L120-N124 PolarHBondContact O-N 2.74Å; L120-I140 HydrophobicContact CD2-CD1 4.37Å |
| 121 | S | 97.2 | Very high | 97.5 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 44% | 0.441 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 170.7 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | V117 L118 L119 N124 L125 | V117-S121 PolarHBondContact O-N 3.32Å; L118-S121 WeakPolarHBondContact O-CB 3.39Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.4Å; S121-N124 WeakPolarHBondContact O-CB 3.28Å; S121-N124 PolarHBondContact O-N 3.26Å; S121-L125 PolarHBondContact O-N 3.01Å |
| 122 | D | 97.3 | Very high | 97.5 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 177.8 | -71.5 | 26.5 | 0 | 0 | 0 | 112.3 | L119 N124 L125 C126 A143 R147 | L119-D122 PolarHBondContact O-N 3.39Å; D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.28Å; D122-L125 WeakPolarHBondContact O-CB 3.33Å; D122-L125 PolarHBondContact O-N 3.36Å; D122-L125 VanDerWaalsContact O-N 3.16Å; D122-C126 PolarHBondContact O-N 2.94Å; D122-C126 PolarHBondContact O-SG 3.43Å; D122-A143 HydrophobicContact CB-CB 3.77Å; D122-R147 IonicContact OD1-CZ 2.78Å; D122-R147 IonicContact OD1-NH2 3.17Å; D122-R147 PolarHBondContact OD1-NH2 3.41Å; D122-R147 IonicContact OD2-CZ 2.68Å; D122-R147 IonicContact OD2-NE 3.96Å; D122-R147 PolarHBondContact OD2-NE 3.26Å; D122-R147 IonicContact OD2-NH2 3.14Å; D122-R147 PolarHBondContact OD2-NH2 3.5Å |
| 123 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L119 L120 C126 A127 V135 D139 I140 | L119-A123 PolarHBondContact O-N 2.94Å; L120-A123 PolarHBondContact O-N 3.05Å; A123-C126 WeakPolarHBondContact O-CB 3.41Å; A123-C126 PolarHBondContact O-N 3.37Å; A123-A127 PolarHBondContact O-N 3.1Å; A123-V135 HydrophobicContact CB-CG1 3.9Å; A123-D139 HydrophobicContact CB-CB 4.19Å; A123-D139 WeakPolarHBondContact O-CB 3.48Å; A123-I140 HydrophobicContact CB-CG1 3.73Å |
| 124 | N | 98.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 77.7 Ų | 77.7 | 36% | 0.358 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 172.4 | -176 | 54.7 | 0 | 0 | 0 | 112 | L120 S121 D122 C126 A127 I128 V135 | L120-N124 WeakPolarHBondContact O-CB 3.27Å; L120-N124 PolarHBondContact O-N 2.74Å; S121-N124 WeakPolarHBondContact O-CB 3.28Å; S121-N124 PolarHBondContact O-N 3.26Å; D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.28Å; N124-C126 VanDerWaalsContact C-N 3.32Å; N124-C126 PolarHBondContact O-N 3.16Å; N124-A127 PolarHBondContact O-N 3.19Å; N124-I128 VanDerWaalsContact O-CG1 3.32Å; N124-I128 WeakPolarHBondContact O-CG1 3.49Å; N124-I128 PolarHBondContact O-N 3.06Å; N124-V135 HydrophobicContact CB-CG2 4.26Å |
| 125 | L | 97.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 77.4 Ų | 77.4 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 171.9 | -65.8 | 176.2 | 0 | 0 | 0 | 111.9 | S121 D122 I128 H129 | S121-L125 PolarHBondContact O-N 3.01Å; D122-L125 WeakPolarHBondContact O-CB 3.33Å; D122-L125 PolarHBondContact O-N 3.36Å; D122-L125 VanDerWaalsContact O-N 3.16Å; L125-I128 PolarHBondContact O-N 2.75Å; L125-H129 WeakPolarHBondContact O-CB 3.34Å; L125-H129 PolarHBondContact O-N 2.97Å |
| 126 | C | 97.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 77 Ų | 77 | 12% | 0.122 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | D122 A123 N124 H129 A130 D139 L142 | D122-C126 PolarHBondContact O-N 2.94Å; D122-C126 PolarHBondContact O-SG 3.43Å; A123-C126 WeakPolarHBondContact O-CB 3.41Å; A123-C126 PolarHBondContact O-N 3.37Å; N124-C126 VanDerWaalsContact C-N 3.32Å; N124-C126 PolarHBondContact O-N 3.16Å; C126-H129 PolarHBondContact O-N 3.12Å; C126-A130 WeakPolarHBondContact O-CB 3.48Å; C126-A130 PolarHBondContact O-N 3.25Å; C126-A130 VanDerWaalsContact O-N 3.09Å; C126-D139 HydrophobicContact CB-CB 3.98Å; C126-L142 HydrophobicContact CB-CD2 4.26Å |
| 127 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A123 N124 A130 K131 R132 V135 | A123-A127 PolarHBondContact O-N 3.1Å; N124-A127 PolarHBondContact O-N 3.19Å; A127-A130 CarbonylContact O-C 3.37Å; A127-A130 PolarHBondContact O-N 3.47Å; A127-K131 PolarHBondContact O-N 2.78Å; A127-R132 CarbonylContact C-O 3.39Å; A127-R132 PolarHBondContact O-N 2.84Å; A127-V135 HydrophobicContact CB-CG2 4.12Å |
| 128 | I | 98.2 | Very high | 97.6 | Very high | 96 Ų | 96 | 78.7 Ų | 78.7 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.7 | -68.2 | 165.4 | 0 | 0 | 0 | 111.1 | N124 L125 A130 K131 | N124-I128 VanDerWaalsContact O-CG1 3.32Å; N124-I128 WeakPolarHBondContact O-CG1 3.49Å; N124-I128 PolarHBondContact O-N 3.06Å; L125-I128 PolarHBondContact O-N 2.75Å; I128-A130 PolarHBondContact O-N 3.45Å; I128-K131 WeakPolarHBondContact O-CA 3.46Å; I128-K131 PolarHBondContact O-N 3.3Å |
| 129 | H | 97.9 | Very high | 97.7 | Very high | 166 Ų | 166 | 74.2 Ų | 74.2 | 77% | 0.769 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.2 | -40.1 | 174.7 | -179.9 | 80 | 0 | 0 | 0 | 111.6 | L125 C126 K131 | L125-H129 WeakPolarHBondContact O-CB 3.34Å; L125-H129 PolarHBondContact O-N 2.97Å; C126-H129 PolarHBondContact O-N 3.12Å; H129-K131 PolarHBondContact O-N 3.02Å |
| 130 | A | 98 | Very high | 97.7 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 20.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C126 A127 I128 R132 | C126-A130 WeakPolarHBondContact O-CB 3.48Å; C126-A130 PolarHBondContact O-N 3.25Å; C126-A130 VanDerWaalsContact O-N 3.09Å; A127-A130 CarbonylContact O-C 3.37Å; A127-A130 PolarHBondContact O-N 3.47Å; I128-A130 PolarHBondContact O-N 3.45Å; A130-R132 VanDerWaalsContact C-N 3.3Å; A130-R132 PolarHBondContact O-N 2.81Å |
| 131 | K | 98.1 | Very high | 97.6 | Very high | 204 Ų | 204 | 77.6 Ų | 77.6 | 89% | 0.887 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 33.6 | 176.7 | -55.4 | 179.5 | -176.8 | 176 | 0 | 114.8 | A127 I128 H129 | A127-K131 PolarHBondContact O-N 2.78Å; I128-K131 WeakPolarHBondContact O-CA 3.46Å; I128-K131 PolarHBondContact O-N 3.3Å; H129-K131 PolarHBondContact O-N 3.02Å |
| 132 | R | 98.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | trans | -121.2 | 158.3 | 178.7 | -70.2 | 171.8 | -70.6 | 111.9 | -11.3 | 111.9 | A127 A130 T134 R138 D139 | A127-R132 CarbonylContact C-O 3.39Å; A127-R132 PolarHBondContact O-N 2.84Å; A130-R132 VanDerWaalsContact C-N 3.3Å; A130-R132 PolarHBondContact O-N 2.81Å; R132-T134 PolarHBondContact NH1-O 3.5Å; R132-T134 VanDerWaalsContact NH1-O 3.09Å; R132-R138 VanDerWaalsContact NE-NH2 3.2Å; R132-D139 IonicContact CZ-OD1 2.89Å; R132-D139 IonicContact CZ-OD2 3.51Å; R132-D139 IonicContact NH1-OD1 3.42Å; R132-D139 PolarHBondContact NH1-OD1 3.06Å; R132-D139 IonicContact NH1-OD2 2.73Å; R132-D139 PolarHBondContact NH1-OD2 3.46Å; R132-D139 IonicContact NH2-OD1 2.77Å; R132-D139 PolarHBondContact NH2-OD1 3.05Å; R132-D139 IonicContact NH2-OD2 2.69Å | ||
| 133 | V | 96.7 | Very high | 97.5 | Very high | 139 Ų | 139 | 76.1 Ų | 76.1 | 84% | 0.842 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -103.6 | -25.9 | 171.7 | -174 | 0 | 0 | 0 | 0 | 111.6 | ||
| 134 | T | 97.7 | Very high | 97.3 | Very high | 92 Ų | 92 | 81.2 Ų | 81.2 | 56% | 0.564 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -88 | 127 | 176 | -49.7 | 0 | 0 | 0 | 0 | 110.4 | R132 F136 | R132-T134 PolarHBondContact NH1-O 3.5Å; R132-T134 VanDerWaalsContact NH1-O 3.09Å; T134-F136 HydrophobicContact CG2-CD2 4.42Å; T134-F136 HydrophobicContact CG2-CE2 3.95Å; T134-F136 HydrophobicContact CG2-CZ 4.2Å; T134-F136 VanDerWaalsContact O-CD2 3.24Å; T134-F136 WeakPolarHBondContact O-CD2 3.27Å; T134-F136 WeakPolarHBondContact O-CE2 3.39Å |
| 135 | V | 97.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 87.4 Ų | 87.4 | 30% | 0.303 | 43% | 0.429 | S | S | . | . | trans | -76.4 | 137.2 | 170.4 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | A123 N124 A127 D139 I140 | A123-V135 HydrophobicContact CB-CG1 3.9Å; N124-V135 HydrophobicContact CB-CG2 4.26Å; A127-V135 HydrophobicContact CB-CG2 4.12Å; V135-D139 HydrophobicContact CG1-CB 4.17Å; V135-I140 HydrophobicContact CG1-CG1 4.39Å | ||
| 136 | F | 98.1 | Very high | 96.9 | Very high | 83 Ų | 83 | 88.6 Ų | 88.6 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -123.9 | 163.7 | 177.4 | -72.8 | -94.6 | 0 | 0 | 0 | 110.9 | T134 R138 D139 | T134-F136 HydrophobicContact CG2-CD2 4.42Å; T134-F136 HydrophobicContact CG2-CE2 3.95Å; T134-F136 HydrophobicContact CG2-CZ 4.2Å; T134-F136 VanDerWaalsContact O-CD2 3.24Å; T134-F136 WeakPolarHBondContact O-CD2 3.27Å; T134-F136 WeakPolarHBondContact O-CE2 3.39Å; F136-R138 HydrophobicContact CB-CG 4.13Å; F136-R138 PolarHBondContact O-N 3.36Å; F136-R138 VanDerWaalsContact O-N 3.11Å; F136-D139 PolarHBondContact N-OD2 2.87Å; F136-D139 WeakPolarHBondContact O-CB 3.48Å; F136-D139 PolarHBondContact O-N 3.12Å | ||
| 137 | P | 97.6 | Very high | 96.6 | Very high | 92 Ų | 92 | 91.5 Ų | 91.5 | 60% | 0.597 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -53 | -35.5 | 179.3 | -29.6 | 36.5 | 0 | 0 | 0 | 114.7 | D139 I140 Q141 | P137-D139 PolarHBondContact O-N 3.5Å; P137-I140 PolarHBondContact O-N 3.14Å; P137-Q141 WeakPolarHBondContact O-CG 3.49Å; P137-Q141 PolarHBondContact O-N 3.27Å |
| 138 | R | 96.8 | Very high | 96 | Very high | 119 Ų | 119 | 92.8 Ų | 92.8 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -30.8 | 175.1 | 66.9 | 179.2 | 173.9 | -85.6 | -1 | 114 | R132 F136 L142 | R132-R138 VanDerWaalsContact NE-NH2 3.2Å; F136-R138 HydrophobicContact CB-CG 4.13Å; F136-R138 PolarHBondContact O-N 3.36Å; F136-R138 VanDerWaalsContact O-N 3.11Å; R138-L142 WeakPolarHBondContact O-CB 3.21Å; R138-L142 PolarHBondContact O-N 3.44Å |
| 139 | D | 98 | Very high | 94.9 | Very high | 5 Ų | 5 | 90.4 Ų | 90.4 | 3% | 0.027 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -74.4 | -37.3 | -179.5 | -56.6 | -43.9 | 0 | 0 | 0 | 110.4 | A123 C126 R132 V135 F136 P137 A143 | A123-D139 HydrophobicContact CB-CB 4.19Å; A123-D139 WeakPolarHBondContact O-CB 3.48Å; C126-D139 HydrophobicContact CB-CB 3.98Å; R132-D139 IonicContact CZ-OD1 2.89Å; R132-D139 IonicContact CZ-OD2 3.51Å; R132-D139 IonicContact NH1-OD1 3.42Å; R132-D139 PolarHBondContact NH1-OD1 3.06Å; R132-D139 IonicContact NH1-OD2 2.73Å; R132-D139 PolarHBondContact NH1-OD2 3.46Å; R132-D139 IonicContact NH2-OD1 2.77Å; R132-D139 PolarHBondContact NH2-OD1 3.05Å; R132-D139 IonicContact NH2-OD2 2.69Å; V135-D139 HydrophobicContact CG1-CB 4.17Å; F136-D139 PolarHBondContact N-OD2 2.87Å; F136-D139 WeakPolarHBondContact O-CB 3.48Å; F136-D139 PolarHBondContact O-N 3.12Å; P137-D139 PolarHBondContact O-N 3.5Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 3.02Å |
| 140 | I | 96.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 86 Ų | 86 | 28% | 0.282 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.3 | -43 | 173.7 | -60.8 | 170.4 | 0 | 0 | 0 | 110.6 | L119 L120 A123 V135 P137 A143 R144 | L119-I140 HydrophobicContact CD2-CG2 4.07Å; L119-I140 HydrophobicContact CG-CG2 4.36Å; L120-I140 HydrophobicContact CD2-CD1 4.37Å; A123-I140 HydrophobicContact CB-CG1 3.73Å; V135-I140 HydrophobicContact CG1-CG1 4.39Å; P137-I140 PolarHBondContact O-N 3.14Å; I140-A143 PolarHBondContact O-N 2.77Å; I140-R144 WeakPolarHBondContact O-CG 3.28Å; I140-R144 PolarHBondContact O-N 2.98Å |
| 141 | Q | 95.9 | Very high | 91.1 | Very high | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 175.3 | -72 | 168.4 | -19.2 | 0 | 0 | 111.5 | P137 R144 R145 | P137-Q141 WeakPolarHBondContact O-CG 3.49Å; P137-Q141 PolarHBondContact O-N 3.27Å; Q141-R144 PolarHBondContact O-N 3.04Å; Q141-R145 WeakPolarHBondContact O-CB 3.26Å; Q141-R145 PolarHBondContact O-N 3.25Å |
| 142 | L | 95.4 | Very high | 88.7 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 42% | 0.419 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.4 | -179.1 | 58.9 | 0 | 0 | 0 | 111.5 | C126 R138 R144 R145 L146 | C126-L142 HydrophobicContact CB-CD2 4.26Å; R138-L142 WeakPolarHBondContact O-CB 3.21Å; R138-L142 PolarHBondContact O-N 3.44Å; L142-R144 PolarHBondContact O-N 2.83Å; L142-R145 PolarHBondContact O-N 3.42Å; L142-L146 HydrophobicContact CD1-CD1 4.02Å; L142-L146 HydrophobicContact CD1-CG 4.1Å; L142-L146 HydrophobicContact CG-CD1 3.99Å; L142-L146 HydrophobicContact CG-CG 4.47Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.25Å; L142-L146 PolarHBondContact O-N 2.88Å |
| 143 | A | 95.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 98.6 Ų | 98.6 | 1% | 0.008 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L119 D122 D139 I140 R145 L146 R147 | L119-A143 HydrophobicContact CD1-CB 3.97Å; D122-A143 HydrophobicContact CB-CB 3.77Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 3.02Å; I140-A143 PolarHBondContact O-N 2.77Å; A143-R145 PolarHBondContact O-N 3.17Å; A143-L146 PolarHBondContact O-N 3.42Å; A143-R147 WeakPolarHBondContact O-CB 3.41Å; A143-R147 WeakPolarHBondContact O-CG 3.3Å; A143-R147 PolarHBondContact O-N 3.09Å |
| 144 | R | 95.4 | Very high | 87.7 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 174.6 | -77.2 | 177.2 | 55.6 | 147.6 | 3.3 | 112.4 | L119 I140 Q141 L142 R147 G148 V149 D150 | L119-R144 HydrophobicContact CD1-CG 4.06Å; L119-R144 HydrophobicContact CD2-CG 4.38Å; I140-R144 WeakPolarHBondContact O-CG 3.28Å; I140-R144 PolarHBondContact O-N 2.98Å; Q141-R144 PolarHBondContact O-N 3.04Å; L142-R144 PolarHBondContact O-N 2.83Å; R144-R147 PolarHBondContact O-N 3.3Å; R144-G148 PolarHBondContact O-N 2.87Å; R144-G148 VanDerWaalsContact O-N 3.12Å; R144-V149 PolarHBondContact O-N 3.07Å; R144-V149 VanDerWaalsContact O-N 3.11Å; R144-D150 WeakPolarHBondContact CB-OD2 3.17Å; R144-D150 IonicContact CZ-OD1 3.59Å; R144-D150 IonicContact NE-OD1 2.75Å; R144-D150 PolarHBondContact NE-OD1 3.16Å; R144-D150 IonicContact NH2-OD1 3.52Å; R144-D150 PolarHBondContact NH2-OD1 3.22Å |
| 145 | R | 94.8 | Very high | 87.2 | Confident | 197 Ų | 197 | 96.7 Ų | 96.7 | 74% | 0.743 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | -179.5 | -173.9 | 173.7 | -179.1 | 137.8 | 0 | 112.4 | Q141 L142 A143 G148 D150 | Q141-R145 WeakPolarHBondContact O-CB 3.26Å; Q141-R145 PolarHBondContact O-N 3.25Å; L142-R145 PolarHBondContact O-N 3.42Å; A143-R145 PolarHBondContact O-N 3.17Å; R145-G148 PolarHBondContact O-N 3.5Å; R145-D150 WeakPolarHBondContact CA-OD2 3.5Å; R145-D150 PolarHBondContact N-OD2 3.37Å |
| 146 | L | 92.9 | Very high | 86.6 | Confident | 133 Ų | 133 | 99.4 Ų | 99.4 | 70% | 0.696 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.4 | -36.6 | 176.3 | -70.6 | 173.5 | 0 | 0 | 0 | 112.4 | L142 A143 G148 | L142-L146 HydrophobicContact CD1-CD1 4.02Å; L142-L146 HydrophobicContact CD1-CG 4.1Å; L142-L146 HydrophobicContact CG-CD1 3.99Å; L142-L146 HydrophobicContact CG-CG 4.47Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.25Å; L142-L146 PolarHBondContact O-N 2.88Å; A143-L146 PolarHBondContact O-N 3.42Å; L146-G148 PolarHBondContact O-N 3.35Å |
| 147 | R | 91 | Very high | 85.9 | Confident | 79 Ų | 79 | 100.4 Ų | 100.4 | 30% | 0.298 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.1 | -11.6 | 174 | -72.5 | 179.6 | 175.6 | -163.6 | -3 | 114.5 | L118 D122 A143 R144 V149 | L118-R147 PolarHBondContact O-NH2 3.09Å; D122-R147 IonicContact OD1-CZ 2.78Å; D122-R147 IonicContact OD1-NH2 3.17Å; D122-R147 PolarHBondContact OD1-NH2 3.41Å; D122-R147 IonicContact OD2-CZ 2.68Å; D122-R147 IonicContact OD2-NE 3.96Å; D122-R147 PolarHBondContact OD2-NE 3.26Å; D122-R147 IonicContact OD2-NH2 3.14Å; D122-R147 PolarHBondContact OD2-NH2 3.5Å; A143-R147 WeakPolarHBondContact O-CB 3.41Å; A143-R147 WeakPolarHBondContact O-CG 3.3Å; A143-R147 PolarHBondContact O-N 3.09Å; R144-R147 PolarHBondContact O-N 3.3Å; R147-V149 HydrophobicContact CB-CG2 3.82Å; R147-V149 PolarHBondContact O-N 3.12Å |
| 148 | G | 85.7 | Confident | 85.1 | Confident | 27 Ų | 27 | 101 Ų | 101 | 28% | 0.278 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 11.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R144 R145 L146 D150 R151 | R144-G148 PolarHBondContact O-N 2.87Å; R144-G148 VanDerWaalsContact O-N 3.12Å; R145-G148 PolarHBondContact O-N 3.5Å; L146-G148 PolarHBondContact O-N 3.35Å; G148-D150 PolarHBondContact O-N 3.32Å; G148-R151 WeakPolarHBondContact O-CB 3.43Å; G148-R151 PolarHBondContact O-N 3.06Å |
| 149 | V | 74.1 | Confident | 84.2 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -62.6 | -26.2 | 178.7 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | R144 R147 R151 | R144-V149 PolarHBondContact O-N 3.07Å; R144-V149 VanDerWaalsContact O-N 3.11Å; R147-V149 HydrophobicContact CB-CG2 3.82Å; R147-V149 PolarHBondContact O-N 3.12Å; V149-R151 PolarHBondContact O-N 3.39Å |
| 150 | D | 62.6 | Low | 83.2 | Confident | 75 Ų | 75 | 107 Ų | 107 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -81.4 | 10.4 | 175.4 | -53.9 | -36.1 | 0 | 0 | 0 | 113.5 | R144 R145 G148 | R144-D150 WeakPolarHBondContact CB-OD2 3.17Å; R144-D150 IonicContact CZ-OD1 3.59Å; R144-D150 IonicContact NE-OD1 2.75Å; R144-D150 PolarHBondContact NE-OD1 3.16Å; R144-D150 IonicContact NH2-OD1 3.52Å; R144-D150 PolarHBondContact NH2-OD1 3.22Å; R145-D150 WeakPolarHBondContact CA-OD2 3.5Å; R145-D150 PolarHBondContact N-OD2 3.37Å; G148-D150 PolarHBondContact O-N 3.32Å |
| 151 | R | 54.8 | Low | 82.1 | Confident | 233 Ų | 233 | 111.3 Ų | 111.3 | 88% | 0.879 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -117 | 8.4 | 173.6 | -53.8 | -165.9 | -165 | -163.2 | 8.3 | 113.5 | G148 V149 | G148-R151 WeakPolarHBondContact O-CB 3.43Å; G148-R151 PolarHBondContact O-N 3.06Å; V149-R151 PolarHBondContact O-N 3.39Å |
| 152 | M | 46.3 | Very low | 80.8 | Confident | 235 Ų | 235 | 110.2 Ų | 110.2 | 100% | 1.158 | 51% | 0.505 | S | S | * | . | trans | -105.2 | 0 | 166.8 | -72.7 | -179.2 | 168.9 | 0 | 0 | 109.1 |
Retrieved 152 of 152 residues in 360.2 ms
(Link to these results)