| 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 | 42.7 | Very low | 44.5 | Very low | 241 Ų | 241 | 158.1 Ų | 158.1 | 100% | 1.187 | 86% | 0.86 | S | S | * | * | 0 | 72.1 | 0 | -64.8 | -167.4 | -83.1 | 0 | 0 | 107.5 | |||||
| 2 | A | 42.8 | Very low | 44.3 | Very low | 111 Ų | 111 | 155.8 Ų | 155.8 | 92% | 0.917 | 85% | 0.854 | S | S | * | * | 57 | 92.7 | 74.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3 | G | 43.8 | Very low | 44.3 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | 177.5 | 43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | M | 39.4 | Very low | 44.3 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 87% | 0.867 | 84% | 0.837 | S | S | * | * | trans | -86.2 | 137.2 | 176 | -75.4 | -167.6 | 172 | 0 | 0 | 111.4 | ||||
| 5 | S | 46 | Very low | 44.1 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | 34.1 | 102.1 | 142.3 | 70.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 6 | L | 49.8 | Very low | 43.9 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -136.5 | 105 | 156.9 | -70.4 | 169.9 | 0 | 0 | 0 | 103.8 | ||||
| 7 | L | 48.1 | Very low | 43.9 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | -174.7 | 81.7 | 68.6 | -82.6 | 156.5 | 0 | 0 | 0 | 109 | |||||
| 8 | R | 45.2 | Very low | 44.1 | Very low | 241 Ų | 241 | 140.7 Ų | 140.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -104.8 | 98.8 | 159.6 | -108 | -175.5 | 174.1 | -176.6 | -0.9 | 106.4 | ||||
| 9 | R | 46.8 | Very low | 44.1 | Very low | 240 Ų | 240 | 138.1 Ų | 138.1 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 154.8 | 93.8 | 157.6 | -86.1 | 157.9 | -168.3 | -127.7 | 5.6 | 111 | ||||
| 10 | V | 43.1 | Very low | 44.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -146.7 | 78.5 | 149 | -179.8 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 11 | S | 41.2 | Very low | 44 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 57% | 0.573 | 82% | 0.817 | S | S | * | * | 82.5 | 123 | 95.3 | 65.4 | 0 | 0 | 0 | 0 | 113 | T13 | S11-T13 PolarHBondContact O-N 3.35Å; S11-T13 PolarHBondContact O-OG1 3.28Å | |||
| 12 | V | 42.5 | Very low | 43.7 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -58.3 | 21.4 | -176.3 | 168.6 | 0 | 0 | 0 | 0 | 115.1 | A14 | V12-A14 PolarHBondContact O-N 2.9Š|
| 13 | T | 45 | Very low | 43.4 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 33.5 | 178.8 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | S11 | S11-T13 PolarHBondContact O-N 3.35Å; S11-T13 PolarHBondContact O-OG1 3.28Å |
| 14 | A | 43.8 | Very low | 43.4 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | -9.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V12 | V12-A14 PolarHBondContact O-N 2.9Š|
| 15 | V | 41.7 | Very low | 43.2 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -16.1 | -177.7 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | A17 | V15-A17 PolarHBondContact O-N 2.7Š|
| 16 | A | 41.3 | Very low | 43.1 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 17 | A | 43.8 | Very low | 42.5 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | V15 | V15-A17 PolarHBondContact O-N 2.7Š|
| 18 | L | 46.4 | Very low | 42.4 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -106.6 | 1.5 | -176.7 | -78.1 | 170.1 | 0 | 0 | 0 | 115.2 | ||
| 19 | S | 43.8 | Very low | 41.8 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | -123.9 | 94.6 | 174.3 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | R21 | S19-R21 VanDerWaalsContact C-N 3.33Å; S19-R21 PolarHBondContact O-N 2.77Å | ||
| 20 | G | 46.3 | Very low | 41.5 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -67.9 | 84.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 21 | R | 40.1 | Very low | 41.1 | Very low | 235 Ų | 235 | 124.8 Ų | 124.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -142.8 | 102.7 | 165 | -122.1 | 176.3 | 175.2 | 178.1 | -2 | 110.8 | S19 L23 | S19-R21 VanDerWaalsContact C-N 3.33Å; S19-R21 PolarHBondContact O-N 2.77Å; R21-L23 PolarHBondContact O-N 2.91Å | ||
| 22 | S | 36.1 | Very low | 41.5 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -69.1 | 110.4 | 169.8 | 58.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | L | 38.1 | Very low | 42 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -82.5 | 113.7 | 164.2 | -97.2 | 153 | 0 | 0 | 0 | 107.9 | R21 | R21-L23 PolarHBondContact O-N 2.91Š| ||
| 24 | G | 42.3 | Very low | 41.8 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -73.1 | 125.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | T | 36.5 | Very low | 42 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -94.1 | 102.8 | 165.4 | 35.2 | 0 | 0 | 0 | 0 | 109.2 | L27 | T25-L27 PolarHBondContact O-N 2.85Š| ||
| 26 | R | 44.1 | Very low | 42 | Very low | 244 Ų | 244 | 137.6 Ų | 137.6 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -60.9 | 116.4 | 151.8 | -84.6 | -175.8 | 175.6 | -166.4 | -0.3 | 107.4 | ||||
| 27 | L | 37.6 | Very low | 42.4 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -153.5 | 105.3 | 155.2 | -117 | 139.3 | 0 | 0 | 0 | 107.7 | T25 | T25-L27 PolarHBondContact O-N 2.85Š| ||
| 28 | G | 45 | Very low | 42.6 | Very low | 71 Ų | 71 | 144.4 Ų | 144.4 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | trans | -74.7 | 139.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | F | 32.3 | Very low | 42.6 | Very low | 204 Ų | 204 | 146 Ų | 146 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | -146 | 120.1 | 153.4 | -138.6 | -96.7 | 0 | 0 | 0 | 107.2 | ||||
| 30 | G | 40 | Very low | 43 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | -70 | 150.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | G | 36.3 | Very low | 43.3 | Very low | 72 Ų | 72 | 148.4 Ų | 148.4 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | 173.3 | 78.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 32 | F | 47.8 | Very low | 44.1 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | 14.2 | 110.7 | 141.2 | -161.1 | -105.4 | 0 | 0 | 0 | 116.1 | ||||
| 33 | L | 53.8 | Low | 45.1 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | 134.6 | 57.5 | 161.4 | -70 | -178.8 | 0 | 0 | 0 | 112.9 | ||||
| 34 | T | 40.8 | Very low | 46 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -119.3 | 98.2 | 164.8 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | G36 | T34-G36 PolarHBondContact O-N 3.5Å; T34-G36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | R | 47.9 | Very low | 46.8 | Very low | 241 Ų | 241 | 144.9 Ų | 144.9 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -54 | 114.4 | 164.9 | -156.8 | 176.6 | -172.9 | 175.6 | 1.5 | 107.4 | F37 | R35-F37 PolarHBondContact O-N 2.65Š| ||
| 36 | G | 41.7 | Very low | 47.5 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 117.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T34 | T34-G36 PolarHBondContact O-N 3.5Å; T34-G36 VanDerWaalsContact O-N 3.16Å |
| 37 | F | 49.7 | Very low | 48 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 132.1 | 162.5 | -79.4 | -88.2 | 0 | 0 | 0 | 108.4 | R35 K39 | R35-F37 PolarHBondContact O-N 2.65Å; F37-K39 PolarHBondContact O-N 3.44Å; F37-K39 VanDerWaalsContact O-N 3.12Å |
| 38 | P | 47.6 | Very low | 48.8 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.6 | 175.2 | 25.4 | -31.8 | 0 | 0 | 0 | 108.5 | A40 | P38-A40 PolarHBondContact O-N 2.97Š|
| 39 | K | 47.2 | Very low | 49.2 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -61.4 | 102 | 175.5 | -154.5 | 176.4 | -170 | 175.6 | 0 | 107 | F37 V41 | F37-K39 PolarHBondContact O-N 3.44Å; F37-K39 VanDerWaalsContact O-N 3.12Å; K39-V41 PolarHBondContact O-N 3.27Å | ||
| 40 | A | 51 | Low | 50.5 | Low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -61.3 | 103.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | P38 A42 | P38-A40 PolarHBondContact O-N 2.97Å; A40-A42 VanDerWaalsContact C-N 3.29Å; A40-A42 PolarHBondContact O-N 3.34Å | ||
| 41 | V | 53.9 | Low | 51.7 | Low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 92.3 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | K39 | K39-V41 PolarHBondContact O-N 3.27Š| ||
| 42 | A | 57.6 | Low | 53.4 | Low | 73 Ų | 73 | 140.3 Ų | 140.3 | 60% | 0.603 | 79% | 0.794 | S | S | * | * | trans | -63.5 | 129.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A40 V44 | A40-A42 VanDerWaalsContact C-N 3.29Å; A40-A42 PolarHBondContact O-N 3.34Å; A42-V44 PolarHBondContact O-N 3.2Å; A42-V44 VanDerWaalsContact O-N 3.09Å | ||
| 43 | P | 55.9 | Low | 54.6 | Low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -63 | 114.9 | 178.8 | 24.1 | -32.1 | 0 | 0 | 0 | 109.8 | R45 | P43-R45 PolarHBondContact O-N 3.09Å; P43-R45 VanDerWaalsContact O-N 3.1Å | ||
| 44 | V | 57.2 | Low | 56 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | -75 | 98.9 | 176 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | A42 H46 | A42-V44 PolarHBondContact O-N 3.2Å; A42-V44 VanDerWaalsContact O-N 3.09Å; V44-H46 PolarHBondContact O-N 3.37Å | ||
| 45 | R | 58 | Low | 58.1 | Low | 231 Ų | 231 | 142.5 Ų | 142.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -76.2 | 109.9 | 171.6 | -73.1 | -172.7 | 172 | -166.4 | -2.1 | 109.3 | P43 S47 | P43-R45 PolarHBondContact O-N 3.09Å; P43-R45 VanDerWaalsContact O-N 3.1Å; R45-S47 VanDerWaalsContact C-N 3.34Å; R45-S47 PolarHBondContact O-N 3.46Å | ||
| 46 | H | 52.5 | Low | 60 | Low | 181 Ų | 181 | 135.4 Ų | 135.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -83.3 | 76.7 | 168.1 | -68.4 | -76.9 | 0 | 0 | 0 | 109.8 | V44 | V44-H46 PolarHBondContact O-N 3.37Š| ||
| 47 | S | 53.8 | Low | 62.1 | Low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -129.2 | 116.3 | 170.2 | -179 | 0 | 0 | 0 | 0 | 109.9 | R45 | R45-S47 VanDerWaalsContact C-N 3.34Å; R45-S47 PolarHBondContact O-N 3.46Å | ||
| 48 | G | 54.6 | Low | 64 | Low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 109.5 | 114.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H50 | G48-H50 PolarHBondContact O-N 2.96Š|
| 49 | G | 52.7 | Low | 66.1 | Low | 93 Ų | 93 | 134.4 Ų | 134.4 | 96% | 0.959 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -67.7 | 50.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 50 | H | 60 | Low | 68.2 | Low | 138 Ų | 138 | 128.9 Ų | 128.9 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -137.5 | 122.3 | 171.7 | -140.9 | 87.7 | 0 | 0 | 0 | 107.2 | G48 R53 | G48-H50 PolarHBondContact O-N 2.96Å; H50-R53 VanDerWaalsContact CD2-CZ 3.44Å; H50-R53 PolarHBondContact CD2-NE 3.47Å; H50-R53 PolarHBondContact CD2-NH2 3.34Å; H50-R53 PolarHBondContact NE2-NH2 2.98Å |
| 51 | G | 66 | Low | 70.2 | Confident | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | -46.1 | 152.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R53 | G51-R53 VanDerWaalsContact O-CG 3.28Å; G51-R53 WeakPolarHBondContact O-CG 3.28Å; G51-R53 PolarHBondContact O-N 2.97Å | ||
| 52 | K | 70.8 | Confident | 72.2 | Confident | 208 Ų | 208 | 130.6 Ų | 130.6 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | trans | -34.4 | 80.1 | -175.9 | 54.5 | 175 | -176.6 | -174.1 | 0 | 115.8 | ||||
| 53 | R | 74.4 | Confident | 74 | Confident | 196 Ų | 196 | 133.8 Ų | 133.8 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | trans | -80 | 123.8 | 175.9 | -64 | -172.6 | -174.7 | 173 | -1.8 | 108.7 | H50 G51 | H50-R53 VanDerWaalsContact CD2-CZ 3.44Å; H50-R53 PolarHBondContact CD2-NE 3.47Å; H50-R53 PolarHBondContact CD2-NH2 3.34Å; H50-R53 PolarHBondContact NE2-NH2 2.98Å; G51-R53 VanDerWaalsContact O-CG 3.28Å; G51-R53 WeakPolarHBondContact O-CG 3.28Å; G51-R53 PolarHBondContact O-N 2.97Å | ||
| 54 | L | 82.3 | Confident | 75.9 | Confident | 154 Ų | 154 | 133.5 Ų | 133.5 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | trans | -84.9 | 139.9 | 175.3 | -61.9 | 174.8 | 0 | 0 | 0 | 109.9 | V56 | L54-V56 PolarHBondContact O-N 3.09Š| ||
| 55 | F | 85.5 | Confident | 77.8 | Confident | 186 Ų | 186 | 130.8 Ų | 130.8 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -70 | 114.3 | 170.3 | -178.4 | -101.9 | 0 | 0 | 0 | 109.2 | V57 | F55-V57 HydrophobicContact CD1-CG2 4.03Å; F55-V57 HydrophobicContact CE1-CG2 3.94Å | ||
| 56 | V | 86.9 | Confident | 79.6 | Confident | 93 Ų | 93 | 125.5 Ų | 125.5 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | trans | -91.7 | 109.8 | 178.7 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | L54 K58 | L54-V56 PolarHBondContact O-N 3.09Å; V56-K58 HydrophobicContact CB-CG 4.46Å; V56-K58 HydrophobicContact CG1-CD 4.3Å; V56-K58 HydrophobicContact CG1-CG 3.86Å; V56-K58 PolarHBondContact O-N 2.91Å; V56-K58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | V | 87 | Confident | 81.8 | Confident | 129 Ų | 129 | 123.2 Ų | 123.2 | 78% | 0.782 | 67% | 0.668 | S | S | * | * | trans | -66.6 | 111.3 | 172.9 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | F55 | F55-V57 HydrophobicContact CD1-CG2 4.03Å; F55-V57 HydrophobicContact CE1-CG2 3.94Å | ||
| 58 | K | 89.4 | Confident | 83.9 | Confident | 151 Ų | 151 | 121.4 Ų | 121.4 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | trans | -124.2 | 148.9 | 176.5 | -65.4 | -178.6 | -179.4 | 172.5 | 0 | 108.9 | V56 | V56-K58 HydrophobicContact CB-CG 4.46Å; V56-K58 HydrophobicContact CG1-CD 4.3Å; V56-K58 HydrophobicContact CG1-CG 3.86Å; V56-K58 PolarHBondContact O-N 2.91Å; V56-K58 VanDerWaalsContact O-N 3.13Å | ||
| 59 | A | 90.9 | Very high | 85.9 | Confident | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 65% | 0.648 | S | S | * | * | trans | -59.7 | 154.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | K61 | A59-K61 PolarHBondContact O-N 3.36Å; A59-K61 VanDerWaalsContact O-N 3.16Å | ||
| 60 | S | 92.6 | Very high | 88.1 | Confident | 81 Ų | 81 | 125 Ų | 125 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | trans | -66 | 113.8 | -179.6 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | F62 | S60-F62 VanDerWaalsContact C-N 3.28Š| ||
| 61 | K | 93.1 | Very high | 89.9 | Confident | 143 Ų | 143 | 122.3 Ų | 122.3 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | trans | -85.8 | 0.4 | 173.6 | -64.2 | -169.5 | 173.9 | -165.8 | 0 | 113.5 | A59 S65 | A59-K61 PolarHBondContact O-N 3.36Å; A59-K61 VanDerWaalsContact O-N 3.16Å; K61-S65 VanDerWaalsContact O-CB 3.3Å; K61-S65 WeakPolarHBondContact O-CB 3.15Å; K61-S65 PolarHBondContact O-N 2.92Å; K61-S65 VanDerWaalsContact O-N 3.1Å; K61-S65 PolarHBondContact O-OG 3.1Å | ||
| 62 | F | 94.8 | Very high | 91.4 | Very high | 123 Ų | 123 | 127.9 Ų | 127.9 | 54% | 0.539 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.3 | -48.4 | -172 | 176.1 | -100.8 | 0 | 0 | 0 | 111.5 | S60 S65 R66 | S60-F62 VanDerWaalsContact C-N 3.28Å; F62-S65 PolarHBondContact O-N 2.79Å; F62-R66 WeakPolarHBondContact O-CB 3.46Å; F62-R66 PolarHBondContact O-N 3.31Å |
| 63 | Y | 96.2 | Very high | 92.7 | Very high | 139 Ų | 139 | 123.6 Ų | 123.6 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -43.3 | -176.9 | -68.4 | -77.3 | 0 | 0 | 0 | 112.4 | S65 R66 F67 | Y63-S65 PolarHBondContact O-N 3.12Å; Y63-R66 PolarHBondContact O-N 2.94Å; Y63-F67 WeakPolarHBondContact O-CB 3.47Å; Y63-F67 PolarHBondContact O-N 3.49Å |
| 64 | D | 95.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 121.2 Ų | 121.2 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61 | -46.7 | 176.4 | -56.1 | -20.2 | 0 | 0 | 0 | 111.2 | R66 F67 L68 | D64-R66 VanDerWaalsContact C-N 3.33Å; D64-R66 PolarHBondContact O-N 3.09Å; D64-F67 PolarHBondContact O-N 3.34Å; D64-L68 WeakPolarHBondContact O-CG 3.44Å; D64-L68 PolarHBondContact O-N 3.31Å |
| 65 | S | 96.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 119 Ų | 119 | 39% | 0.392 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.6 | -39.1 | 178.8 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | K61 F62 Y63 K69 | K61-S65 VanDerWaalsContact O-CB 3.3Å; K61-S65 WeakPolarHBondContact O-CB 3.15Å; K61-S65 PolarHBondContact O-N 2.92Å; K61-S65 VanDerWaalsContact O-N 3.1Å; K61-S65 PolarHBondContact O-OG 3.1Å; F62-S65 PolarHBondContact O-N 2.79Å; Y63-S65 PolarHBondContact O-N 3.12Å; S65-K69 WeakPolarHBondContact O-CB 3.35Å; S65-K69 WeakPolarHBondContact O-CG 3.32Å; S65-K69 PolarHBondContact O-N 3.14Å |
| 66 | R | 97.4 | Very high | 95.1 | Very high | 119 Ų | 119 | 111.9 Ų | 111.9 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -44.6 | 176.9 | -174.7 | -179.4 | 71.5 | 171.1 | 6.6 | 111 | F62 Y63 D64 K69 L70 | F62-R66 WeakPolarHBondContact O-CB 3.46Å; F62-R66 PolarHBondContact O-N 3.31Å; Y63-R66 PolarHBondContact O-N 2.94Å; D64-R66 VanDerWaalsContact C-N 3.33Å; D64-R66 PolarHBondContact O-N 3.09Å; R66-K69 PolarHBondContact O-N 2.99Å; R66-L70 HydrophobicContact CG-CD1 4.17Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.17Å |
| 67 | F | 97.6 | Very high | 95.6 | Very high | 133 Ų | 133 | 112.2 Ų | 112.2 | 58% | 0.583 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.5 | -48.8 | 176.8 | 174.3 | -103.6 | 0 | 0 | 0 | 111.2 | Y63 D64 K69 L70 L71 | Y63-F67 WeakPolarHBondContact O-CB 3.47Å; Y63-F67 PolarHBondContact O-N 3.49Å; D64-F67 PolarHBondContact O-N 3.34Å; F67-K69 VanDerWaalsContact C-N 3.31Å; F67-K69 PolarHBondContact O-N 2.9Å; F67-L70 PolarHBondContact O-N 3.47Å; F67-L71 HydrophobicContact CE1-CD2 4.42Å; F67-L71 WeakPolarHBondContact O-CB 3.44Å; F67-L71 PolarHBondContact O-N 3.31Å |
| 68 | L | 97.8 | Very high | 96.1 | Very high | 81 Ų | 81 | 110.5 Ų | 110.5 | 42% | 0.424 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 178 | -68.7 | 175.1 | 0 | 0 | 0 | 112.8 | D64 R72 | D64-L68 WeakPolarHBondContact O-CG 3.44Å; D64-L68 PolarHBondContact O-N 3.31Å; L68-R72 WeakPolarHBondContact O-CB 3.41Å; L68-R72 VanDerWaalsContact O-CG 3.24Å; L68-R72 WeakPolarHBondContact O-CG 3.33Å; L68-R72 PolarHBondContact O-N 2.76Å |
| 69 | K | 97.8 | Very high | 96.5 | Very high | 153 Ų | 153 | 104.6 Ų | 104.6 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -45.7 | 173.8 | -76.1 | 172.9 | -177.9 | -174.2 | 0 | 111.6 | S65 R66 F67 F73 | S65-K69 WeakPolarHBondContact O-CB 3.35Å; S65-K69 WeakPolarHBondContact O-CG 3.32Å; S65-K69 PolarHBondContact O-N 3.14Å; R66-K69 PolarHBondContact O-N 2.99Å; F67-K69 VanDerWaalsContact C-N 3.31Å; F67-K69 PolarHBondContact O-N 2.9Å; K69-F73 VanDerWaalsContact O-CB 3.31Å; K69-F73 WeakPolarHBondContact O-CB 3.31Å; K69-F73 PolarHBondContact O-N 3.47Å |
| 70 | L | 98.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 177.4 | -71.5 | 172.8 | 0 | 0 | 0 | 111.5 | R66 F67 R72 F73 Y74 | R66-L70 HydrophobicContact CG-CD1 4.17Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.17Å; F67-L70 PolarHBondContact O-N 3.47Å; L70-R72 PolarHBondContact O-N 3.12Å; L70-F73 WeakPolarHBondContact O-CB 3.47Å; L70-F73 PolarHBondContact O-N 2.98Å; L70-F73 VanDerWaalsContact O-N 3.15Å; L70-Y74 HydrophobicContact CD2-CE2 4.46Å; L70-Y74 WeakPolarHBondContact O-CD2 3.33Å; L70-Y74 PolarHBondContact O-N 2.9Å |
| 71 | L | 97.6 | Very high | 97.1 | Very high | 80 Ų | 80 | 104.2 Ų | 104.2 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 176.8 | -179.9 | 67.2 | 0 | 0 | 0 | 111.3 | F67 F73 Y74 I75 | F67-L71 HydrophobicContact CE1-CD2 4.42Å; F67-L71 WeakPolarHBondContact O-CB 3.44Å; F67-L71 PolarHBondContact O-N 3.31Å; L71-F73 VanDerWaalsContact C-N 3.3Å; L71-F73 PolarHBondContact O-N 3.13Å; L71-Y74 PolarHBondContact O-N 3.26Å; L71-I75 HydrophobicContact CD1-CD1 4.02Å; L71-I75 HydrophobicContact CG-CD1 3.97Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.43Å; L71-I75 PolarHBondContact O-N 3.37Å |
| 72 | R | 97.9 | Very high | 97.3 | Very high | 178 Ų | 178 | 101 Ų | 101 | 67% | 0.672 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | 176.8 | -71.8 | 171.9 | -175.6 | 179.4 | 1 | 111.9 | L68 L70 A76 | L68-R72 WeakPolarHBondContact O-CB 3.41Å; L68-R72 VanDerWaalsContact O-CG 3.24Å; L68-R72 WeakPolarHBondContact O-CG 3.33Å; L68-R72 PolarHBondContact O-N 2.76Å; L70-R72 PolarHBondContact O-N 3.12Å; R72-A76 WeakPolarHBondContact O-CB 3.42Å; R72-A76 PolarHBondContact O-N 3.41Å |
| 73 | F | 97.9 | Very high | 97.4 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 177.5 | 175.7 | -99.9 | 0 | 0 | 0 | 111.6 | K69 L70 L71 I75 A76 L77 | K69-F73 VanDerWaalsContact O-CB 3.31Å; K69-F73 WeakPolarHBondContact O-CB 3.31Å; K69-F73 PolarHBondContact O-N 3.47Å; L70-F73 WeakPolarHBondContact O-CB 3.47Å; L70-F73 PolarHBondContact O-N 2.98Å; L70-F73 VanDerWaalsContact O-N 3.15Å; L71-F73 VanDerWaalsContact C-N 3.3Å; L71-F73 PolarHBondContact O-N 3.13Å; F73-I75 PolarHBondContact O-N 3.24Å; F73-A76 PolarHBondContact O-N 2.91Å; F73-L77 WeakPolarHBondContact O-CB 3.31Å; F73-L77 PolarHBondContact O-N 3.38Å |
| 74 | Y | 97.5 | Very high | 97.5 | Very high | 146 Ų | 146 | 96.7 Ų | 96.7 | 57% | 0.573 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.9 | -33.8 | -179.5 | -75.4 | -70.2 | 0 | 0 | 0 | 113.4 | L70 L71 L77 | L70-Y74 HydrophobicContact CD2-CE2 4.46Å; L70-Y74 WeakPolarHBondContact O-CD2 3.33Å; L70-Y74 PolarHBondContact O-N 2.9Å; L71-Y74 PolarHBondContact O-N 3.26Å; Y74-L77 HydrophobicContact CD1-CD2 4.32Å |
| 75 | I | 97.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 55% | 0.549 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 172.2 | -67 | 169 | 0 | 0 | 0 | 110.5 | L71 F73 L77 G79 | L71-I75 HydrophobicContact CD1-CD1 4.02Å; L71-I75 HydrophobicContact CG-CD1 3.97Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.43Å; L71-I75 PolarHBondContact O-N 3.37Å; F73-I75 PolarHBondContact O-N 3.24Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.25Å; I75-G79 WeakPolarHBondContact O-CA 3.44Å; I75-G79 PolarHBondContact O-N 3.48Å |
| 76 | A | 97.4 | Very high | 97.5 | Very high | 37 Ų | 37 | 96.7 Ų | 96.7 | 31% | 0.306 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | R72 F73 T78 G79 I80 | R72-A76 WeakPolarHBondContact O-CB 3.42Å; R72-A76 PolarHBondContact O-N 3.41Å; F73-A76 PolarHBondContact O-N 2.91Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.35Å; A76-G79 PolarHBondContact O-N 3.37Å; A76-I80 HydrophobicContact CB-CD1 3.97Å; A76-I80 HydrophobicContact CB-CG1 4.36Å; A76-I80 WeakPolarHBondContact O-CB 3.27Å; A76-I80 WeakPolarHBondContact O-CG1 3.16Å; A76-I80 PolarHBondContact O-N 3.05Å |
| 77 | L | 97.3 | Very high | 97.4 | Very high | 99 Ų | 99 | 94.4 Ų | 94.4 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.2 | -42.9 | -178.8 | -177.6 | 65 | 0 | 0 | 0 | 112.4 | F73 Y74 I75 P81 | F73-L77 WeakPolarHBondContact O-CB 3.31Å; F73-L77 PolarHBondContact O-N 3.38Å; Y74-L77 HydrophobicContact CD1-CD2 4.32Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.25Å; L77-P81 VanDerWaalsContact O-CD 3.22Å; L77-P81 WeakPolarHBondContact O-CD 3.31Å; L77-P81 WeakPolarHBondContact O-CG 3.44Å |
| 78 | T | 97 | Very high | 97.4 | Very high | 94 Ų | 94 | 92 Ų | 92 | 58% | 0.577 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -97.9 | -32.3 | 175.6 | 55 | 0 | 0 | 0 | 0 | 112.4 | A76 P81 V82 | A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.35Å; T78-P81 WeakPolarHBondContact O-CD 3.34Å; T78-V82 WeakPolarHBondContact O-CB 3.41Å; T78-V82 VanDerWaalsContact O-CG2 3.22Å; T78-V82 WeakPolarHBondContact O-CG2 3.24Å; T78-V82 PolarHBondContact O-N 2.9Å; T78-V82 VanDerWaalsContact O-N 3.09Å |
| 79 | G | 98.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 89.4 Ų | 89.4 | 28% | 0.278 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I75 A76 V82 V83 | I75-G79 WeakPolarHBondContact O-CA 3.44Å; I75-G79 PolarHBondContact O-N 3.48Å; A76-G79 PolarHBondContact O-N 3.37Å; G79-V82 PolarHBondContact O-N 3.27Å; G79-V83 VanDerWaalsContact O-CG2 3.31Å; G79-V83 WeakPolarHBondContact O-CG2 3.23Å; G79-V83 PolarHBondContact O-N 3.46Å |
| 80 | I | 97.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 85.4 Ų | 85.4 | 52% | 0.523 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -51.6 | 179.9 | -65.3 | 168.6 | 0 | 0 | 0 | 110.9 | A76 V82 V83 I84 | A76-I80 HydrophobicContact CB-CD1 3.97Å; A76-I80 HydrophobicContact CB-CG1 4.36Å; A76-I80 WeakPolarHBondContact O-CB 3.27Å; A76-I80 WeakPolarHBondContact O-CG1 3.16Å; A76-I80 PolarHBondContact O-N 3.05Å; I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.16Å; I80-V83 PolarHBondContact O-N 2.94Å; I80-I84 HydrophobicContact CG2-CD1 3.76Å; I80-I84 HydrophobicContact CG2-CG1 4.45Å; I80-I84 VanDerWaalsContact O-CG1 3.31Å; I80-I84 WeakPolarHBondContact O-CG1 3.36Å; I80-I84 PolarHBondContact O-N 3.16Å |
| 81 | P | 97.9 | Very high | 97.1 | Very high | 62 Ų | 62 | 87 Ų | 87 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 173.9 | -27.1 | 34.1 | 0 | 0 | 0 | 113.7 | L77 T78 I84 I85 | L77-P81 VanDerWaalsContact O-CD 3.22Å; L77-P81 WeakPolarHBondContact O-CD 3.31Å; L77-P81 WeakPolarHBondContact O-CG 3.44Å; T78-P81 WeakPolarHBondContact O-CD 3.34Å; P81-I84 PolarHBondContact O-N 2.77Å; P81-I85 VanDerWaalsContact O-CG1 3.28Å; P81-I85 WeakPolarHBondContact O-CG1 3.38Å; P81-I85 PolarHBondContact O-N 3.22Å |
| 82 | V | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 91 Ų | 91 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 179.2 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | T78 G79 I80 I84 I85 I86 | T78-V82 WeakPolarHBondContact O-CB 3.41Å; T78-V82 VanDerWaalsContact O-CG2 3.22Å; T78-V82 WeakPolarHBondContact O-CG2 3.24Å; T78-V82 PolarHBondContact O-N 2.9Å; T78-V82 VanDerWaalsContact O-N 3.09Å; G79-V82 PolarHBondContact O-N 3.27Å; I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.16Å; V82-I84 VanDerWaalsContact C-N 3.33Å; V82-I84 PolarHBondContact O-N 3.1Å; V82-I85 PolarHBondContact O-N 3.12Å; V82-I86 HydrophobicContact CG1-CD1 3.7Å; V82-I86 HydrophobicContact CG1-CG1 4.44Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.21Å; V82-I86 PolarHBondContact O-N 2.98Å |
| 83 | V | 97.8 | Very high | 96.9 | Very high | 87 Ų | 87 | 88.2 Ų | 88.2 | 53% | 0.527 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.7 | 171 | 0 | 0 | 0 | 0 | 110.7 | G79 I80 I85 I86 T87 | G79-V83 VanDerWaalsContact O-CG2 3.31Å; G79-V83 WeakPolarHBondContact O-CG2 3.23Å; G79-V83 PolarHBondContact O-N 3.46Å; I80-V83 PolarHBondContact O-N 2.94Å; V83-I85 VanDerWaalsContact C-N 3.35Å; V83-I85 PolarHBondContact O-N 2.91Å; V83-I86 PolarHBondContact O-N 3.01Å; V83-T87 HydrophobicContact CG1-CG2 4.33Å; V83-T87 WeakPolarHBondContact O-CG2 3.24Å; V83-T87 PolarHBondContact O-N 2.93Å; V83-T87 PolarHBondContact O-OG1 3.13Å |
| 84 | I | 97.4 | Very high | 96.6 | Very high | 85 Ų | 85 | 83.6 Ų | 83.6 | 44% | 0.436 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.2 | -68.2 | 167.3 | 0 | 0 | 0 | 110.7 | I80 P81 V82 I86 T87 L88 | I80-I84 HydrophobicContact CG2-CD1 3.76Å; I80-I84 HydrophobicContact CG2-CG1 4.45Å; I80-I84 VanDerWaalsContact O-CG1 3.31Å; I80-I84 WeakPolarHBondContact O-CG1 3.36Å; I80-I84 PolarHBondContact O-N 3.16Å; P81-I84 PolarHBondContact O-N 2.77Å; V82-I84 VanDerWaalsContact C-N 3.33Å; V82-I84 PolarHBondContact O-N 3.1Å; I84-I86 PolarHBondContact O-N 3.48Å; I84-T87 WeakPolarHBondContact CA-OG1 3.3Å; I84-T87 PolarHBondContact O-N 3.43Å; I84-T87 PolarHBondContact O-OG1 3.46Å; I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 4.18Å; I84-L88 WeakPolarHBondContact O-CB 3.42Å; I84-L88 WeakPolarHBondContact O-CG 3.31Å; I84-L88 PolarHBondContact O-N 3.04Å |
| 85 | I | 96.3 | Very high | 96.3 | Very high | 100 Ų | 100 | 82 Ų | 82 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.4 | -69.5 | 164.2 | 0 | 0 | 0 | 110.6 | P81 V82 V83 T87 L88 V89 | P81-I85 VanDerWaalsContact O-CG1 3.28Å; P81-I85 WeakPolarHBondContact O-CG1 3.38Å; P81-I85 PolarHBondContact O-N 3.22Å; V82-I85 PolarHBondContact O-N 3.12Å; V83-I85 VanDerWaalsContact C-N 3.35Å; V83-I85 PolarHBondContact O-N 2.91Å; I85-T87 PolarHBondContact O-N 3.37Å; I85-L88 PolarHBondContact O-N 3.44Å; I85-V89 HydrophobicContact CG2-CG2 4.35Å; I85-V89 WeakPolarHBondContact O-CB 3.32Å; I85-V89 VanDerWaalsContact O-CG2 3.24Å; I85-V89 WeakPolarHBondContact O-CG2 3.39Å; I85-V89 PolarHBondContact O-N 2.93Å |
| 86 | I | 95.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 78.2 Ų | 78.2 | 33% | 0.328 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.6 | -66.6 | 164.8 | 0 | 0 | 0 | 110.7 | V82 V83 I84 V89 N90 I117 | V82-I86 HydrophobicContact CG1-CD1 3.7Å; V82-I86 HydrophobicContact CG1-CG1 4.44Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.21Å; V82-I86 PolarHBondContact O-N 2.98Å; V83-I86 PolarHBondContact O-N 3.01Å; I84-I86 PolarHBondContact O-N 3.48Å; I86-V89 PolarHBondContact O-N 3.29Å; I86-N90 WeakPolarHBondContact O-CB 3.22Å; I86-N90 VanDerWaalsContact O-CG 3.26Å; I86-N90 PolarHBondContact O-N 2.88Å; I86-I117 HydrophobicContact CG1-CD1 3.9Å |
| 87 | T | 96.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 85.1 Ų | 85.1 | 44% | 0.436 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 178.4 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | V83 I84 I85 N90 V91 | V83-T87 HydrophobicContact CG1-CG2 4.33Å; V83-T87 WeakPolarHBondContact O-CG2 3.24Å; V83-T87 PolarHBondContact O-N 2.93Å; V83-T87 PolarHBondContact O-OG1 3.13Å; I84-T87 WeakPolarHBondContact CA-OG1 3.3Å; I84-T87 PolarHBondContact O-N 3.43Å; I84-T87 PolarHBondContact O-OG1 3.46Å; I85-T87 PolarHBondContact O-N 3.37Å; T87-N90 PolarHBondContact O-N 2.84Å; T87-V91 WeakPolarHBondContact O-CB 3.41Å; T87-V91 VanDerWaalsContact O-CG2 3.27Å; T87-V91 WeakPolarHBondContact O-CG2 3.38Å; T87-V91 PolarHBondContact O-N 3.43Å |
| 88 | L | 96.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 89 Ų | 89 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.4 | -70 | 173 | 0 | 0 | 0 | 111.6 | I84 I85 N90 V91 F92 | I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 4.18Å; I84-L88 WeakPolarHBondContact O-CB 3.42Å; I84-L88 WeakPolarHBondContact O-CG 3.31Å; I84-L88 PolarHBondContact O-N 3.04Å; I85-L88 PolarHBondContact O-N 3.44Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 3.48Å; L88-V91 PolarHBondContact O-N 3.15Å; L88-F92 HydrophobicContact CB-CD2 4.35Å; L88-F92 HydrophobicContact CD2-CD2 4Å; L88-F92 HydrophobicContact CD2-CE2 3.56Å; L88-F92 WeakPolarHBondContact O-CB 3.46Å; L88-F92 WeakPolarHBondContact O-CD2 3.31Å; L88-F92 PolarHBondContact O-N 3.05Å |
| 89 | V | 96.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 88.4 Ų | 88.4 | 15% | 0.152 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | I85 I86 V91 I93 G94 P116 I117 | I85-V89 HydrophobicContact CG2-CG2 4.35Å; I85-V89 WeakPolarHBondContact O-CB 3.32Å; I85-V89 VanDerWaalsContact O-CG2 3.24Å; I85-V89 WeakPolarHBondContact O-CG2 3.39Å; I85-V89 PolarHBondContact O-N 2.93Å; I86-V89 PolarHBondContact O-N 3.29Å; V89-V91 PolarHBondContact O-N 3.4Å; V89-I93 HydrophobicContact CG1-CD1 4.21Å; V89-I93 HydrophobicContact CG2-CD1 4.33Å; V89-I93 WeakPolarHBondContact O-CA 3.16Å; V89-I93 VanDerWaalsContact O-CB 3.31Å; V89-I93 WeakPolarHBondContact O-CB 3.33Å; V89-I93 PolarHBondContact O-N 3.38Å; V89-G94 PolarHBondContact O-N 3.28Å; V89-G94 VanDerWaalsContact O-N 3.09Å; V89-P116 HydrophobicContact CG1-CB 4.06Å; V89-P116 HydrophobicContact CG1-CG 3.36Å; V89-I117 HydrophobicContact CG1-CG1 4.12Å |
| 90 | N | 95.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 96.1 Ų | 96.1 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.7 | -31.5 | -178.9 | -71 | -7.7 | 0 | 0 | 0 | 113.3 | I86 T87 L88 G94 H115 | I86-N90 WeakPolarHBondContact O-CB 3.22Å; I86-N90 VanDerWaalsContact O-CG 3.26Å; I86-N90 PolarHBondContact O-N 2.88Å; T87-N90 PolarHBondContact O-N 2.84Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 3.48Å; N90-G94 WeakPolarHBondContact O-CA 3.46Å; N90-H115 PolarHBondContact OD1-NE2 3.02Å; N90-H115 VanDerWaalsContact OD1-NE2 3.12Å |
| 91 | V | 95.8 | Very high | 95.1 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 70% | 0.697 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -82.3 | -43.6 | -179.9 | 171.7 | 0 | 0 | 0 | 0 | 112 | T87 L88 V89 | T87-V91 WeakPolarHBondContact O-CB 3.41Å; T87-V91 VanDerWaalsContact O-CG2 3.27Å; T87-V91 WeakPolarHBondContact O-CG2 3.38Å; T87-V91 PolarHBondContact O-N 3.43Å; L88-V91 PolarHBondContact O-N 3.15Å; V89-V91 PolarHBondContact O-N 3.4Å |
| 92 | F | 95.9 | Very high | 95 | Very high | 165 Ų | 165 | 96.6 Ų | 96.6 | 72% | 0.724 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -91.4 | -35.8 | -173.1 | -71.1 | -71.5 | 0 | 0 | 0 | 114 | L88 | L88-F92 HydrophobicContact CB-CD2 4.35Å; L88-F92 HydrophobicContact CD2-CD2 4Å; L88-F92 HydrophobicContact CD2-CE2 3.56Å; L88-F92 WeakPolarHBondContact O-CB 3.46Å; L88-F92 WeakPolarHBondContact O-CD2 3.31Å; L88-F92 PolarHBondContact O-N 3.05Å |
| 93 | I | 94.1 | Very high | 94.8 | Very high | 120 Ų | 120 | 102.4 Ų | 102.4 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -44.2 | -178.6 | -59 | 166.4 | 0 | 0 | 0 | 110.1 | V89 P116 | V89-I93 HydrophobicContact CG1-CD1 4.21Å; V89-I93 HydrophobicContact CG2-CD1 4.33Å; V89-I93 WeakPolarHBondContact O-CA 3.16Å; V89-I93 VanDerWaalsContact O-CB 3.31Å; V89-I93 WeakPolarHBondContact O-CB 3.33Å; V89-I93 PolarHBondContact O-N 3.38Å; I93-P116 HydrophobicContact CG2-CB 4.01Å; I93-P116 HydrophobicContact CG2-CG 4.25Å |
| 94 | G | 91.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 102.3 Ų | 102.3 | 23% | 0.227 | 56% | 0.564 | C | S | . | * | trans | 75.8 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V89 N90 P116 | V89-G94 PolarHBondContact O-N 3.28Å; V89-G94 VanDerWaalsContact O-N 3.09Å; N90-G94 WeakPolarHBondContact O-CA 3.46Å; G94-P116 WeakPolarHBondContact O-CD 3.42Å | ||
| 95 | E | 92.4 | Very high | 94.5 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 52% | 0.523 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 145.4 | 173.7 | -65.2 | -169.9 | 166.9 | 0 | 0 | 110.7 | K114 | E95-K114 HydrophobicContact CB-CG 4.45Å; E95-K114 WeakPolarHBondContact OE2-CE 3.38Å; E95-K114 IonicContact OE2-NZ 2.65Å; E95-K114 PolarHBondContact OE2-NZ 2.89Å |
| 96 | A | 92.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 105.6 Ų | 105.6 | 23% | 0.231 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -72.8 | 147.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K114 R119 | A96-K114 WeakPolarHBondContact CB-O 3.41Å; A96-K114 PolarHBondContact N-O 2.99Å; A96-K114 VanDerWaalsContact N-O 3.09Å; A96-K114 WeakPolarHBondContact O-CG 3.33Å; A96-R119 VanDerWaalsContact CB-NH2 3.31Å |
| 97 | E | 90.9 | Very high | 94.5 | Very high | 182 Ų | 182 | 103.4 Ų | 103.4 | 85% | 0.85 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 145.4 | 170.2 | -64.5 | -173.8 | 166 | 0 | 0 | 110.2 | A99 | E97-A99 PolarHBondContact O-N 3.37Š|
| 98 | L | 93.6 | Very high | 94.5 | Very high | 181 Ų | 181 | 105.2 Ų | 105.2 | 95% | 0.948 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.8 | 174.8 | -179.6 | 65.3 | 0 | 0 | 0 | 108.2 | ||
| 99 | A | 93.5 | Very high | 94.5 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | trans | -115.6 | 151.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E97 | E97-A99 PolarHBondContact O-N 3.37Š| ||
| 100 | E | 93.4 | Very high | 94.5 | Very high | 189 Ų | 189 | 104.1 Ų | 104.1 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -66 | 146.7 | 169 | -65.5 | -180 | 179.5 | 0 | 0 | 109.8 | P102 | E100-P102 WeakPolarHBondContact O-CD 3.31Š|
| 101 | I | 95.6 | Very high | 94.5 | Very high | 95 Ų | 95 | 103.2 Ų | 103.2 | 49% | 0.487 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 121.8 | 179.1 | -59.7 | 173 | 0 | 0 | 0 | 107.5 | Y105 P107 Y112 | I101-Y105 VanDerWaalsContact CG2-O 3.23Å; I101-Y105 WeakPolarHBondContact CG2-O 3.28Å; I101-P107 HydrophobicContact CD1-CG 4.01Å; I101-P107 HydrophobicContact CG1-CG 3.96Å; I101-P107 HydrophobicContact CG2-CG 3.88Å; I101-Y112 HydrophobicContact CD1-CE1 4.3Å |
| 102 | P | 95.3 | Very high | 94.5 | Very high | 80 Ų | 80 | 104 Ų | 104 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 147.4 | 179.5 | 21.3 | -23.4 | 0 | 0 | 0 | 111 | E100 G104 Y105 | E100-P102 WeakPolarHBondContact O-CD 3.31Å; P102-G104 PolarHBondContact O-N 3.49Å; P102-Y105 HydrophobicContact CG-CD1 4.05Å; P102-Y105 HydrophobicContact CG-CG 4.17Å; P102-Y105 PolarHBondContact O-N 2.83Å |
| 103 | E | 93.2 | Very high | 94.5 | Very high | 198 Ų | 198 | 101.1 Ų | 101.1 | 93% | 0.925 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.7 | -178.5 | -70 | -69.6 | 179.6 | 0 | 0 | 111.5 | Y105 | E103-Y105 VanDerWaalsContact C-N 3.3Å; E103-Y105 PolarHBondContact O-N 2.93Å |
| 104 | G | 94.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 101.4 Ų | 101.4 | 88% | 0.876 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 0.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P102 | P102-G104 PolarHBondContact O-N 3.49Š|
| 105 | Y | 96.2 | Very high | 94.8 | Very high | 109 Ų | 109 | 102.3 Ų | 102.3 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | trans | -96.1 | 131 | 171.3 | -176.6 | -114.2 | 0 | 0 | 0 | 110.9 | I101 P102 E103 P107 E111 | I101-Y105 VanDerWaalsContact CG2-O 3.23Å; I101-Y105 WeakPolarHBondContact CG2-O 3.28Å; P102-Y105 HydrophobicContact CG-CD1 4.05Å; P102-Y105 HydrophobicContact CG-CG 4.17Å; P102-Y105 PolarHBondContact O-N 2.83Å; E103-Y105 VanDerWaalsContact C-N 3.3Å; E103-Y105 PolarHBondContact O-N 2.93Å; Y105-P107 HydrophobicContact CD1-CG 4.07Å; Y105-P107 HydrophobicContact CE1-CB 4.14Å; Y105-P107 HydrophobicContact CE1-CG 4.08Å; Y105-E111 PolarHBondContact OH-OE1 3.46Å; Y105-E111 VanDerWaalsContact OH-OE1 3.06Å; Y105-E111 PolarHBondContact OH-OE2 2.87Å | ||
| 106 | I | 95.3 | Very high | 95 | Very high | 145 Ų | 145 | 98.2 Ų | 98.2 | 74% | 0.744 | 50% | 0.504 | S | S | * | . | trans | -106.8 | 108.8 | 173.3 | -59.8 | 173.6 | 0 | 0 | 0 | 106.9 | ||||
| 107 | P | 96.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 99.3 Ų | 99.3 | 12% | 0.117 | 51% | 0.506 | C | S | . | . | trans | -64.8 | 144.3 | 178.3 | -19.1 | 30.5 | 0 | 0 | 0 | 111.4 | I101 Y105 E111 Y112 | I101-P107 HydrophobicContact CD1-CG 4.01Å; I101-P107 HydrophobicContact CG1-CG 3.96Å; I101-P107 HydrophobicContact CG2-CG 3.88Å; Y105-P107 HydrophobicContact CD1-CG 4.07Å; Y105-P107 HydrophobicContact CE1-CB 4.14Å; Y105-P107 HydrophobicContact CE1-CG 4.08Å; P107-E111 WeakPolarHBondContact CA-OE2 3.42Å; P107-E111 HydrophobicContact CB-CB 4.23Å; P107-E111 WeakPolarHBondContact CB-OE2 3.37Å; P107-Y112 HydrophobicContact CB-CE1 4.28Å; P107-Y112 HydrophobicContact CB-CE2 4.06Å; P107-Y112 HydrophobicContact CG-CE1 4.32Å | ||
| 108 | E | 95.6 | Very high | 95.4 | Very high | 108 Ų | 108 | 93.2 Ų | 93.2 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | trans | -69.1 | 154.5 | 171.1 | -69.1 | -68.8 | 163.7 | 0 | 0 | 110.9 | W110 E111 Y112 | E108-W110 HydrophobicContact CB-CG 4.49Å; E108-W110 PolarHBondContact O-N 3.09Å; E108-E111 HydrophobicContact CB-CG 4.18Å; E108-E111 PolarHBondContact N-OE2 3.28Å; E108-E111 WeakPolarHBondContact O-CB 3.48Å; E108-E111 PolarHBondContact O-N 3.36Å; E108-Y112 WeakPolarHBondContact O-CD2 3.39Å; E108-Y112 WeakPolarHBondContact O-CE2 3.48Å | ||
| 109 | H | 96.6 | Very high | 95.5 | Very high | 31 Ų | 31 | 87.7 Ų | 87.7 | 14% | 0.144 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.3 | -173.7 | 69.3 | -75.9 | 0 | 0 | 0 | 114.6 | Y113 A122 F126 | H109-Y113 WeakPolarHBondContact O-CE2 3.41Å; H109-A122 PolarHBondContact NE2-O 2.89Å; H109-F126 PolarHBondContact NE2-O 2.95Å |
| 110 | W | 96.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 90 Ų | 90 | 21% | 0.208 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -20 | 178.7 | 55.4 | -88.3 | 0 | 0 | 0 | 113.3 | E108 Y112 Y113 R119 A122 R123 | E108-W110 HydrophobicContact CB-CG 4.49Å; E108-W110 PolarHBondContact O-N 3.09Å; W110-Y112 VanDerWaalsContact C-N 3.25Å; W110-Y112 PolarHBondContact O-N 3.09Å; W110-Y113 WeakPolarHBondContact O-CD2 3.36Å; W110-Y113 PolarHBondContact O-N 2.87Å; W110-R119 HydrophobicContact CB-CG 4.42Å; W110-R119 HydrophobicContact CD2-CG 4.27Å; W110-R119 HydrophobicContact CE3-CG 3.28Å; W110-R119 HydrophobicContact CZ3-CG 3.89Å; W110-R119 WeakPolarHBondContact O-CG 3.4Å; W110-A122 HydrophobicContact CB-CB 3.92Å; W110-R123 HydrophobicContact CB-CB 3.96Å; W110-R123 HydrophobicContact CD2-CB 4.17Å; W110-R123 HydrophobicContact CD2-CG 4.28Å; W110-R123 HydrophobicContact CG-CB 3.72Å; W110-R123 HydrophobicContact CG-CG 4.07Å |
| 111 | E | 95.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 83.6 Ų | 83.6 | 23% | 0.229 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.3 | -177.6 | -66.7 | 179.2 | -179.2 | 0 | 0 | 112.5 | Y105 P107 E108 Y113 R119 | Y105-E111 PolarHBondContact OH-OE1 3.46Å; Y105-E111 VanDerWaalsContact OH-OE1 3.06Å; Y105-E111 PolarHBondContact OH-OE2 2.87Å; P107-E111 WeakPolarHBondContact CA-OE2 3.42Å; P107-E111 HydrophobicContact CB-CB 4.23Å; P107-E111 WeakPolarHBondContact CB-OE2 3.37Å; E108-E111 HydrophobicContact CB-CG 4.18Å; E108-E111 PolarHBondContact N-OE2 3.28Å; E108-E111 WeakPolarHBondContact O-CB 3.48Å; E108-E111 PolarHBondContact O-N 3.36Å; E111-Y113 PolarHBondContact O-N 3.21Å; E111-Y113 VanDerWaalsContact O-N 3.13Å; E111-R119 PolarHBondContact O-NH2 3.22Å; E111-R119 VanDerWaalsContact O-NH2 3.12Å |
| 112 | Y | 96.3 | Very high | 95.9 | Very high | 132 Ų | 132 | 79.1 Ų | 79.1 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.4 | 174 | -60.6 | -77 | 0 | 0 | 0 | 114.1 | I101 P107 E108 W110 | I101-Y112 HydrophobicContact CD1-CE1 4.3Å; P107-Y112 HydrophobicContact CB-CE1 4.28Å; P107-Y112 HydrophobicContact CB-CE2 4.06Å; P107-Y112 HydrophobicContact CG-CE1 4.32Å; E108-Y112 WeakPolarHBondContact O-CD2 3.39Å; E108-Y112 WeakPolarHBondContact O-CE2 3.48Å; W110-Y112 VanDerWaalsContact C-N 3.25Å; W110-Y112 PolarHBondContact O-N 3.09Å |
| 113 | Y | 95.9 | Very high | 96 | Very high | 105 Ų | 105 | 80.9 Ų | 80.9 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | trans | -90.6 | 134 | 177.9 | -63.2 | -77.9 | 0 | 0 | 0 | 112.4 | H109 W110 E111 R119 A122 | H109-Y113 WeakPolarHBondContact O-CE2 3.41Å; W110-Y113 WeakPolarHBondContact O-CD2 3.36Å; W110-Y113 PolarHBondContact O-N 2.87Å; E111-Y113 PolarHBondContact O-N 3.21Å; E111-Y113 VanDerWaalsContact O-N 3.13Å; Y113-R119 VanDerWaalsContact O-CZ 3.26Å; Y113-R119 PolarHBondContact O-NE 3.4Å; Y113-R119 PolarHBondContact O-NH2 2.91Å; Y113-A122 HydrophobicContact CD2-CB 3.54Å; Y113-A122 HydrophobicContact CE2-CB 3.32Å | ||
| 114 | K | 95.3 | Very high | 96.2 | Very high | 126 Ų | 126 | 75.5 Ų | 75.5 | 55% | 0.548 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -69 | -48.5 | -179.1 | -165.2 | -170.3 | -170.8 | -161.1 | 0 | 114 | E95 A96 | E95-K114 HydrophobicContact CB-CG 4.45Å; E95-K114 WeakPolarHBondContact OE2-CE 3.38Å; E95-K114 IonicContact OE2-NZ 2.65Å; E95-K114 PolarHBondContact OE2-NZ 2.89Å; A96-K114 WeakPolarHBondContact CB-O 3.41Å; A96-K114 PolarHBondContact N-O 2.99Å; A96-K114 VanDerWaalsContact N-O 3.09Å; A96-K114 WeakPolarHBondContact O-CG 3.33Å |
| 115 | H | 96.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 78 Ų | 78 | 19% | 0.185 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -85.6 | 134.3 | -170.6 | -169 | -85.3 | 0 | 0 | 0 | 111.3 | N90 I117 S118 R119 | N90-H115 PolarHBondContact OD1-NE2 3.02Å; N90-H115 VanDerWaalsContact OD1-NE2 3.12Å; H115-I117 VanDerWaalsContact C-N 3.29Å; H115-I117 WeakPolarHBondContact ND1-CB 3.35Å; H115-I117 PolarHBondContact ND1-N 2.89Å; H115-I117 VanDerWaalsContact ND1-N 3.14Å; H115-I117 PolarHBondContact O-N 2.93Å; H115-S118 PolarHBondContact O-N 2.81Å; H115-S118 VanDerWaalsContact O-N 3.09Å; H115-R119 WeakPolarHBondContact O-CB 3.21Å; H115-R119 PolarHBondContact O-N 2.99Å |
| 116 | P | 95.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 78.7 Ų | 78.7 | 17% | 0.169 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.4 | -34.6 | -176.3 | 22.9 | -35.5 | 0 | 0 | 0 | 113.6 | V89 I93 G94 R119 W120 | V89-P116 HydrophobicContact CG1-CB 4.06Å; V89-P116 HydrophobicContact CG1-CG 3.36Å; I93-P116 HydrophobicContact CG2-CB 4.01Å; I93-P116 HydrophobicContact CG2-CG 4.25Å; G94-P116 WeakPolarHBondContact O-CD 3.42Å; P116-R119 WeakPolarHBondContact O-CB 3.42Å; P116-W120 WeakPolarHBondContact O-CB 3.34Å; P116-W120 PolarHBondContact O-N 2.94Å |
| 117 | I | 95.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 75.6 Ų | 75.6 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 174.8 | -58.4 | 178.8 | 0 | 0 | 0 | 110.9 | I86 V89 H115 R119 W120 I121 | I86-I117 HydrophobicContact CG1-CD1 3.9Å; V89-I117 HydrophobicContact CG1-CG1 4.12Å; H115-I117 VanDerWaalsContact C-N 3.29Å; H115-I117 WeakPolarHBondContact ND1-CB 3.35Å; H115-I117 PolarHBondContact ND1-N 2.89Å; H115-I117 VanDerWaalsContact ND1-N 3.14Å; H115-I117 PolarHBondContact O-N 2.93Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 PolarHBondContact O-N 3.46Å; I117-W120 PolarHBondContact O-N 2.94Å; I117-I121 HydrophobicContact CG2-CD1 3.95Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 VanDerWaalsContact O-CG1 3.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.37Å; I117-I121 PolarHBondContact O-N 3.06Å |
| 118 | S | 96.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 76.1 Ų | 76.1 | 38% | 0.378 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | H115 I121 A122 | H115-S118 PolarHBondContact O-N 2.81Å; H115-S118 VanDerWaalsContact O-N 3.09Å; S118-I121 PolarHBondContact O-N 3.27Å; S118-A122 WeakPolarHBondContact O-CB 3.17Å; S118-A122 PolarHBondContact O-N 2.84Å |
| 119 | R | 96.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 25% | 0.249 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 174.3 | -172.1 | 170.9 | -70.2 | -173.1 | -2 | 112.2 | A96 W110 E111 Y113 H115 P116 I117 A122 R123 | A96-R119 VanDerWaalsContact CB-NH2 3.31Å; W110-R119 HydrophobicContact CB-CG 4.42Å; W110-R119 HydrophobicContact CD2-CG 4.27Å; W110-R119 HydrophobicContact CE3-CG 3.28Å; W110-R119 HydrophobicContact CZ3-CG 3.89Å; W110-R119 WeakPolarHBondContact O-CG 3.4Å; E111-R119 PolarHBondContact O-NH2 3.22Å; E111-R119 VanDerWaalsContact O-NH2 3.12Å; Y113-R119 VanDerWaalsContact O-CZ 3.26Å; Y113-R119 PolarHBondContact O-NE 3.4Å; Y113-R119 PolarHBondContact O-NH2 2.91Å; H115-R119 WeakPolarHBondContact O-CB 3.21Å; H115-R119 PolarHBondContact O-N 2.99Å; P116-R119 WeakPolarHBondContact O-CB 3.42Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 PolarHBondContact O-N 3.46Å; R119-A122 PolarHBondContact O-N 3.48Å; R119-R123 WeakPolarHBondContact O-CB 3.22Å; R119-R123 PolarHBondContact O-N 2.82Å |
| 120 | W | 96.8 | Very high | 96.4 | Very high | 128 Ų | 128 | 77.6 Ų | 77.6 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.7 | -179.8 | 91.2 | 0 | 0 | 0 | 112 | P116 I117 R123 N124 F125 | P116-W120 WeakPolarHBondContact O-CB 3.34Å; P116-W120 PolarHBondContact O-N 2.94Å; I117-W120 PolarHBondContact O-N 2.94Å; W120-R123 PolarHBondContact O-N 3.28Å; W120-N124 VanDerWaalsContact CD1-ND2 3.28Å; W120-N124 VanDerWaalsContact CE2-ND2 3.26Å; W120-N124 PolarHBondContact NE1-ND2 3.36Å; W120-N124 VanDerWaalsContact NE1-ND2 3.12Å; W120-N124 PolarHBondContact O-N 3.33Å; W120-N124 VanDerWaalsContact O-N 3.12Å; W120-N124 PolarHBondContact O-ND2 3.33Å; W120-F125 HydrophobicContact CE3-CE2 4.45Å; W120-F125 AromaticContact CH2-CE2 3.72Å; W120-F125 HydrophobicContact CH2-CE2 3.72Å; W120-F125 HydrophobicContact CH2-CZ 4.25Å; W120-F125 HydrophobicContact CZ3-CD2 4.45Å; W120-F125 AromaticContact CZ3-CE2 3.62Å; W120-F125 HydrophobicContact CZ3-CE2 3.62Å |
| 121 | I | 97 | Very high | 96.4 | Very high | 55 Ų | 55 | 79.9 Ų | 79.9 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -49 | 176.6 | -67.7 | 167.5 | 0 | 0 | 0 | 110.5 | I117 S118 R123 N124 F125 F126 | I117-I121 HydrophobicContact CG2-CD1 3.95Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 VanDerWaalsContact O-CG1 3.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.37Å; I117-I121 PolarHBondContact O-N 3.06Å; S118-I121 PolarHBondContact O-N 3.27Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 2.9Å; I121-N124 PolarHBondContact O-N 3.3Å; I121-F125 HydrophobicContact CG2-CD2 4.27Å; I121-F125 PolarHBondContact O-N 3.48Å; I121-F126 HydrophobicContact CG2-CD2 4.21Å; I121-F126 HydrophobicContact CG2-CE1 4.35Å; I121-F126 HydrophobicContact CG2-CE2 3.75Å; I121-F126 HydrophobicContact CG2-CZ 3.83Å |
| 122 | A | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.9 | -36.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H109 W110 Y113 S118 R119 F126 | H109-A122 PolarHBondContact NE2-O 2.89Å; W110-A122 HydrophobicContact CB-CB 3.92Å; Y113-A122 HydrophobicContact CD2-CB 3.54Å; Y113-A122 HydrophobicContact CE2-CB 3.32Å; S118-A122 WeakPolarHBondContact O-CB 3.17Å; S118-A122 PolarHBondContact O-N 2.84Å; R119-A122 PolarHBondContact O-N 3.48Å; A122-F126 HydrophobicContact CB-CD2 4.46Å |
| 123 | R | 96.5 | Very high | 96.6 | Very high | 116 Ų | 116 | 83.1 Ų | 83.1 | 44% | 0.438 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 177.6 | -172.9 | 173.9 | 64.9 | -139.9 | 3.5 | 113.6 | W110 R119 W120 I121 | W110-R123 HydrophobicContact CB-CB 3.96Å; W110-R123 HydrophobicContact CD2-CB 4.17Å; W110-R123 HydrophobicContact CD2-CG 4.28Å; W110-R123 HydrophobicContact CG-CB 3.72Å; W110-R123 HydrophobicContact CG-CG 4.07Å; R119-R123 WeakPolarHBondContact O-CB 3.22Å; R119-R123 PolarHBondContact O-N 2.82Å; W120-R123 PolarHBondContact O-N 3.28Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 2.9Å |
| 124 | N | 97.3 | Very high | 96.7 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -95.1 | -29.9 | -171.3 | -66.9 | -72.5 | 0 | 0 | 0 | 114.2 | W120 I121 | W120-N124 VanDerWaalsContact CD1-ND2 3.28Å; W120-N124 VanDerWaalsContact CE2-ND2 3.26Å; W120-N124 PolarHBondContact NE1-ND2 3.36Å; W120-N124 VanDerWaalsContact NE1-ND2 3.12Å; W120-N124 PolarHBondContact O-N 3.33Å; W120-N124 VanDerWaalsContact O-N 3.12Å; W120-N124 PolarHBondContact O-ND2 3.33Å; I121-N124 PolarHBondContact O-N 3.3Å |
| 125 | F | 97.3 | Very high | 96.9 | Very high | 139 Ų | 139 | 85.2 Ų | 85.2 | 61% | 0.61 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -34 | -171.6 | -64.5 | -74 | 0 | 0 | 0 | 114 | W120 I121 | W120-F125 HydrophobicContact CE3-CE2 4.45Å; W120-F125 AromaticContact CH2-CE2 3.72Å; W120-F125 HydrophobicContact CH2-CE2 3.72Å; W120-F125 HydrophobicContact CH2-CZ 4.25Å; W120-F125 HydrophobicContact CZ3-CD2 4.45Å; W120-F125 AromaticContact CZ3-CE2 3.62Å; W120-F125 HydrophobicContact CZ3-CE2 3.62Å; I121-F125 HydrophobicContact CG2-CD2 4.27Å; I121-F125 PolarHBondContact O-N 3.48Å |
| 126 | F | 96.6 | Very high | 97 | Very high | 123 Ų | 123 | 85.8 Ų | 85.8 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -94.5 | 140.3 | -175.3 | -60 | -24.4 | 0 | 0 | 0 | 111.5 | H109 I121 A122 | H109-F126 PolarHBondContact NE2-O 2.95Å; I121-F126 HydrophobicContact CG2-CD2 4.21Å; I121-F126 HydrophobicContact CG2-CE1 4.35Å; I121-F126 HydrophobicContact CG2-CE2 3.75Å; I121-F126 HydrophobicContact CG2-CZ 3.83Å; A122-F126 HydrophobicContact CB-CD2 4.46Å |
| 127 | D | 95.9 | Very high | 97.1 | Very high | 80 Ų | 80 | 89 Ų | 89 | 43% | 0.428 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 152.2 | 168.6 | -78 | -35.2 | 0 | 0 | 0 | 110 | K131 I132 | D127-K131 HydrophobicContact CB-CD 4.11Å; D127-K131 IonicContact OD1-NZ 3.12Å; D127-K131 PolarHBondContact OD1-NZ 3.12Å; D127-K131 IonicContact OD2-NZ 2.68Å; D127-I132 HydrophobicContact CB-CD1 4.08Å; D127-I132 HydrophobicContact CB-CG1 3.94Å |
| 128 | S | 96.9 | Very high | 97.2 | Very high | 29 Ų | 29 | 88.8 Ų | 88.8 | 20% | 0.203 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 143.9 | 172.3 | 74.3 | 0 | 0 | 0 | 0 | 110.3 | E130 K131 I132 | S128-E130 VanDerWaalsContact CB-OE2 3.24Å; S128-E130 WeakPolarHBondContact CB-OE2 3.32Å; S128-E130 PolarHBondContact O-N 2.99Å; S128-E130 PolarHBondContact OG-OE2 3.14Å; S128-K131 WeakPolarHBondContact O-CB 3.24Å; S128-K131 PolarHBondContact O-N 3.43Å; S128-K131 VanDerWaalsContact O-N 3.17Å; S128-K131 VanDerWaalsContact OG-CB 3.25Å; S128-K131 WeakPolarHBondContact OG-CB 3.22Å; S128-K131 PolarHBondContact OG-N 2.67Å; S128-I132 PolarHBondContact O-N 2.95Å |
| 129 | P | 96.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 89.2 Ų | 89.2 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | -179.5 | 24.9 | -32.3 | 0 | 0 | 0 | 111.9 | K131 I132 Y133 | P129-K131 VanDerWaalsContact C-N 3.34Å; P129-K131 PolarHBondContact O-N 3.47Å; P129-I132 PolarHBondContact O-N 2.75Å; P129-Y133 VanDerWaalsContact O-CB 3.32Å; P129-Y133 WeakPolarHBondContact O-CB 3.44Å; P129-Y133 PolarHBondContact O-N 3.12Å |
| 130 | E | 96.5 | Very high | 97.4 | Very high | 94 Ų | 94 | 91.4 Ų | 91.4 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 175.7 | -55.6 | 77.1 | -164.4 | 0 | 0 | 110.5 | S128 I132 Y133 E134 | S128-E130 VanDerWaalsContact CB-OE2 3.24Å; S128-E130 WeakPolarHBondContact CB-OE2 3.32Å; S128-E130 PolarHBondContact O-N 2.99Å; S128-E130 PolarHBondContact OG-OE2 3.14Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-I132 PolarHBondContact O-N 2.9Å; E130-Y133 PolarHBondContact O-N 3.42Å; E130-E134 WeakPolarHBondContact O-CG 3.08Å; E130-E134 PolarHBondContact O-N 2.7Å |
| 131 | K | 96.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 90.9 Ų | 90.9 | 45% | 0.452 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 177.8 | 177.2 | -179 | 174.6 | -170.4 | 0 | 111.6 | D127 S128 P129 K135 | D127-K131 HydrophobicContact CB-CD 4.11Å; D127-K131 IonicContact OD1-NZ 3.12Å; D127-K131 PolarHBondContact OD1-NZ 3.12Å; D127-K131 IonicContact OD2-NZ 2.68Å; S128-K131 WeakPolarHBondContact O-CB 3.24Å; S128-K131 PolarHBondContact O-N 3.43Å; S128-K131 VanDerWaalsContact O-N 3.17Å; S128-K131 VanDerWaalsContact OG-CB 3.25Å; S128-K131 WeakPolarHBondContact OG-CB 3.22Å; S128-K131 PolarHBondContact OG-N 2.67Å; P129-K131 VanDerWaalsContact C-N 3.34Å; P129-K131 PolarHBondContact O-N 3.47Å; K131-K135 WeakPolarHBondContact O-CB 3.37Å; K131-K135 PolarHBondContact O-N 3.4Å |
| 132 | I | 97.7 | Very high | 97.6 | Very high | 98 Ų | 98 | 92.1 Ų | 92.1 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 178.7 | -63.6 | 174.3 | 0 | 0 | 0 | 110.3 | D127 S128 P129 E130 S136 | D127-I132 HydrophobicContact CB-CD1 4.08Å; D127-I132 HydrophobicContact CB-CG1 3.94Å; S128-I132 PolarHBondContact O-N 2.95Å; P129-I132 PolarHBondContact O-N 2.75Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-I132 PolarHBondContact O-N 2.9Å; I132-S136 WeakPolarHBondContact O-CB 3.25Å; I132-S136 PolarHBondContact O-N 3.25Å; I132-S136 PolarHBondContact O-OG 2.88Å |
| 133 | Y | 98 | Very high | 97.7 | Very high | 150 Ų | 150 | 97.6 Ų | 97.6 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.6 | -55.1 | 180 | -177.1 | -101.4 | 0 | 0 | 0 | 111.5 | P129 E130 K135 S136 M137 | P129-Y133 VanDerWaalsContact O-CB 3.32Å; P129-Y133 WeakPolarHBondContact O-CB 3.44Å; P129-Y133 PolarHBondContact O-N 3.12Å; E130-Y133 PolarHBondContact O-N 3.42Å; Y133-K135 PolarHBondContact O-N 3.19Å; Y133-S136 PolarHBondContact O-N 3.06Å; Y133-S136 VanDerWaalsContact O-N 3.14Å; Y133-S136 PolarHBondContact O-OG 3.31Å; Y133-M137 HydrophobicContact CD1-SD 3.89Å; Y133-M137 HydrophobicContact CE1-CG 4.27Å; Y133-M137 HydrophobicContact CE1-SD 3.22Å; Y133-M137 WeakPolarHBondContact CE1-SD 3.24Å; Y133-M137 HydrophobicContact CE2-SD 4.47Å; Y133-M137 VanDerWaalsContact CZ-SD 3.57Å; Y133-M137 PolarHBondContact O-N 3.17Å |
| 134 | E | 98.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 94.6 Ų | 94.6 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | -179.2 | -69 | -179.3 | 174 | 0 | 0 | 112.3 | E130 S136 M137 A138 | E130-E134 WeakPolarHBondContact O-CG 3.08Å; E130-E134 PolarHBondContact O-N 2.7Å; E134-S136 VanDerWaalsContact C-N 3.28Å; E134-S136 PolarHBondContact O-N 3.34Å; E134-M137 PolarHBondContact O-N 3.42Å; E134-A138 WeakPolarHBondContact O-CB 3.33Å; E134-A138 PolarHBondContact O-N 3.28Å |
| 135 | K | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.609 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.7 | -42.9 | 174.7 | -178.3 | -179.6 | 177.9 | -176.6 | 0 | 111.2 | K131 Y133 A138 V139 | K131-K135 WeakPolarHBondContact O-CB 3.37Å; K131-K135 PolarHBondContact O-N 3.4Å; Y133-K135 PolarHBondContact O-N 3.19Å; K135-A138 PolarHBondContact O-N 2.97Å; K135-V139 WeakPolarHBondContact O-CG2 3.43Å; K135-V139 PolarHBondContact O-N 2.93Å |
| 136 | S | 98.2 | Very high | 97.9 | Very high | 53 Ų | 53 | 93.6 Ų | 93.6 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 178.1 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | I132 Y133 E134 A138 V139 L140 | I132-S136 WeakPolarHBondContact O-CB 3.25Å; I132-S136 PolarHBondContact O-N 3.25Å; I132-S136 PolarHBondContact O-OG 2.88Å; Y133-S136 PolarHBondContact O-N 3.06Å; Y133-S136 VanDerWaalsContact O-N 3.14Å; Y133-S136 PolarHBondContact O-OG 3.31Å; E134-S136 VanDerWaalsContact C-N 3.28Å; E134-S136 PolarHBondContact O-N 3.34Å; S136-A138 PolarHBondContact O-N 3.41Å; S136-V139 PolarHBondContact O-N 3.47Å; S136-L140 WeakPolarHBondContact O-CG 3.48Å; S136-L140 PolarHBondContact O-N 2.9Å |
| 137 | M | 98.4 | Very high | 98 | Very high | 94 Ų | 94 | 90 Ų | 90 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175 | -71 | -174.7 | 70.6 | 0 | 0 | 112.1 | Y133 E134 V139 L140 Q141 | Y133-M137 HydrophobicContact CD1-SD 3.89Å; Y133-M137 HydrophobicContact CE1-CG 4.27Å; Y133-M137 HydrophobicContact CE1-SD 3.22Å; Y133-M137 WeakPolarHBondContact CE1-SD 3.24Å; Y133-M137 HydrophobicContact CE2-SD 4.47Å; Y133-M137 VanDerWaalsContact CZ-SD 3.57Å; Y133-M137 PolarHBondContact O-N 3.17Å; E134-M137 PolarHBondContact O-N 3.42Å; M137-V139 VanDerWaalsContact C-N 3.35Å; M137-V139 PolarHBondContact O-N 3.3Å; M137-L140 PolarHBondContact O-N 3.41Å; M137-Q141 PolarHBondContact O-N 3.11Å |
| 138 | A | 98.6 | Very high | 98.1 | Very high | 46 Ų | 46 | 91.3 Ų | 91.3 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E134 K135 S136 Q141 I142 | E134-A138 WeakPolarHBondContact O-CB 3.33Å; E134-A138 PolarHBondContact O-N 3.28Å; K135-A138 PolarHBondContact O-N 2.97Å; S136-A138 PolarHBondContact O-N 3.41Å; A138-Q141 PolarHBondContact O-N 2.94Å; A138-I142 WeakPolarHBondContact O-CD1 3.49Å; A138-I142 VanDerWaalsContact O-CG1 3.28Å; A138-I142 WeakPolarHBondContact O-CG1 3.38Å; A138-I142 PolarHBondContact O-N 3.41Å |
| 139 | V | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 95 Ų | 95 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | K135 S136 M137 Q141 I142 E143 | K135-V139 WeakPolarHBondContact O-CG2 3.43Å; K135-V139 PolarHBondContact O-N 2.93Å; S136-V139 PolarHBondContact O-N 3.47Å; M137-V139 VanDerWaalsContact C-N 3.35Å; M137-V139 PolarHBondContact O-N 3.3Å; V139-Q141 VanDerWaalsContact C-N 3.32Å; V139-Q141 PolarHBondContact O-N 3.06Å; V139-I142 PolarHBondContact O-N 3.47Å; V139-E143 HydrophobicContact CG1-CG 4.33Å; V139-E143 WeakPolarHBondContact CG1-OE1 3.47Å; V139-E143 WeakPolarHBondContact O-CB 3.33Å; V139-E143 WeakPolarHBondContact O-CG 3.42Å; V139-E143 PolarHBondContact O-N 3.43Å |
| 140 | L | 98.6 | Very high | 98.3 | Very high | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 178.7 | -72.6 | 172.9 | 0 | 0 | 0 | 112.1 | S136 M137 E143 A144 | S136-L140 WeakPolarHBondContact O-CG 3.48Å; S136-L140 PolarHBondContact O-N 2.9Å; M137-L140 PolarHBondContact O-N 3.41Å; L140-E143 PolarHBondContact O-N 3.22Å; L140-A144 VanDerWaalsContact O-CB 3.24Å; L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 3.37Å |
| 141 | Q | 98.7 | Very high | 98.4 | Very high | 118 Ų | 118 | 100.1 Ų | 100.1 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -50.2 | 177.7 | -178.2 | 178.9 | -10.6 | 0 | 0 | 111.4 | M137 A138 V139 E143 A144 E145 | M137-Q141 PolarHBondContact O-N 3.11Å; A138-Q141 PolarHBondContact O-N 2.94Å; V139-Q141 VanDerWaalsContact C-N 3.32Å; V139-Q141 PolarHBondContact O-N 3.06Å; Q141-E143 VanDerWaalsContact C-N 3.28Å; Q141-E143 PolarHBondContact O-N 3.03Å; Q141-A144 PolarHBondContact O-N 3.35Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.38Å; Q141-E145 PolarHBondContact NE2-OE1 2.93Å; Q141-E145 WeakPolarHBondContact O-CG 3.36Å; Q141-E145 PolarHBondContact O-N 3.39Å |
| 142 | I | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 42% | 0.415 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | -179.8 | -69 | 166.2 | 0 | 0 | 0 | 110.9 | A138 V139 K146 | A138-I142 WeakPolarHBondContact O-CD1 3.49Å; A138-I142 VanDerWaalsContact O-CG1 3.28Å; A138-I142 WeakPolarHBondContact O-CG1 3.38Å; A138-I142 PolarHBondContact O-N 3.41Å; V139-I142 PolarHBondContact O-N 3.47Å; I142-K146 HydrophobicContact CG2-CD 3.97Å; I142-K146 VanDerWaalsContact CG2-CE 3.46Å; I142-K146 WeakPolarHBondContact O-CB 3.45Å; I142-K146 WeakPolarHBondContact O-CD 3.21Å; I142-K146 WeakPolarHBondContact O-CG 3.4Å; I142-K146 PolarHBondContact O-N 3.28Å |
| 143 | E | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | -180 | -72.8 | -179.7 | 176.3 | 0 | 0 | 112.2 | V139 L140 Q141 K146 A147 | V139-E143 HydrophobicContact CG1-CG 4.33Å; V139-E143 WeakPolarHBondContact CG1-OE1 3.47Å; V139-E143 WeakPolarHBondContact O-CB 3.33Å; V139-E143 WeakPolarHBondContact O-CG 3.42Å; V139-E143 PolarHBondContact O-N 3.43Å; L140-E143 PolarHBondContact O-N 3.22Å; Q141-E143 VanDerWaalsContact C-N 3.28Å; Q141-E143 PolarHBondContact O-N 3.03Å; E143-K146 PolarHBondContact O-N 2.94Å; E143-A147 WeakPolarHBondContact O-CB 3.28Å; E143-A147 PolarHBondContact O-N 3.07Å |
| 144 | A | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 97.8 Ų | 97.8 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L140 Q141 K146 A147 E148 | L140-A144 VanDerWaalsContact O-CB 3.24Å; L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 3.37Å; Q141-A144 PolarHBondContact O-N 3.35Å; A144-K146 VanDerWaalsContact C-N 3.35Å; A144-K146 PolarHBondContact O-N 3.3Å; A144-A147 WeakPolarHBondContact O-CB 3.38Å; A144-A147 PolarHBondContact O-N 2.91Å; A144-A147 VanDerWaalsContact O-N 3.1Å; A144-E148 PolarHBondContact O-N 3.18Å |
| 145 | E | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 177.2 | -72.5 | 174.1 | -168.4 | 0 | 0 | 111.4 | Q141 A147 E148 L149 | Q141-E145 WeakPolarHBondContact CG-OE1 3.38Å; Q141-E145 PolarHBondContact NE2-OE1 2.93Å; Q141-E145 WeakPolarHBondContact O-CG 3.36Å; Q141-E145 PolarHBondContact O-N 3.39Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.36Å; E145-E148 PolarHBondContact O-N 3.4Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.28Å; E145-L149 PolarHBondContact O-N 3.11Å |
| 146 | K | 98.7 | Very high | 98.4 | Very high | 107 Ų | 107 | 91.7 Ų | 91.7 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.5 | -75.6 | 171.2 | -177.9 | 171.5 | 0 | 112.2 | I142 E143 A144 R150 | I142-K146 HydrophobicContact CG2-CD 3.97Å; I142-K146 VanDerWaalsContact CG2-CE 3.46Å; I142-K146 WeakPolarHBondContact O-CB 3.45Å; I142-K146 WeakPolarHBondContact O-CD 3.21Å; I142-K146 WeakPolarHBondContact O-CG 3.4Å; I142-K146 PolarHBondContact O-N 3.28Å; E143-K146 PolarHBondContact O-N 2.94Å; A144-K146 VanDerWaalsContact C-N 3.35Å; A144-K146 PolarHBondContact O-N 3.3Å; K146-R150 VanDerWaalsContact O-CG 3.26Å; K146-R150 WeakPolarHBondContact O-CG 3.49Å; K146-R150 PolarHBondContact O-N 3.36Å; K146-R150 VanDerWaalsContact O-N 3.11Å |
| 147 | A | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 93.9 Ų | 93.9 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E143 A144 E145 L149 R150 L151 | E143-A147 WeakPolarHBondContact O-CB 3.28Å; E143-A147 PolarHBondContact O-N 3.07Å; A144-A147 WeakPolarHBondContact O-CB 3.38Å; A144-A147 PolarHBondContact O-N 2.91Å; A144-A147 VanDerWaalsContact O-N 3.1Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.36Å; A147-L149 PolarHBondContact O-N 3.19Å; A147-R150 PolarHBondContact O-N 2.94Å; A147-L151 PolarHBondContact O-N 3.1Å |
| 148 | E | 98.6 | Very high | 98.3 | Very high | 107 Ų | 107 | 95.6 Ų | 95.6 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.8 | -72.9 | -168.7 | -169.7 | 0 | 0 | 112.6 | A144 E145 R150 L151 K152 | A144-E148 PolarHBondContact O-N 3.18Å; E145-E148 PolarHBondContact O-N 3.4Å; E148-R150 VanDerWaalsContact C-N 3.29Å; E148-R150 PolarHBondContact O-N 3.5Å; E148-L151 PolarHBondContact O-N 2.9Å; E148-K152 WeakPolarHBondContact O-CG 3.41Å; E148-K152 PolarHBondContact O-N 2.67Å; E148-K152 IonicContact OE2-NZ 3.82Å; E148-K152 PolarHBondContact OE2-NZ 3.31Å; E148-K152 VanDerWaalsContact OE2-NZ 3.11Å |
| 149 | L | 98.7 | Very high | 98.2 | Very high | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 178.9 | -73.4 | 174.5 | 0 | 0 | 0 | 111.8 | E145 A147 K152 E153 | E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.28Å; E145-L149 PolarHBondContact O-N 3.11Å; A147-L149 PolarHBondContact O-N 3.19Å; L149-K152 PolarHBondContact O-N 3.42Å; L149-E153 VanDerWaalsContact O-CB 3.32Å; L149-E153 WeakPolarHBondContact O-CB 3.41Å; L149-E153 PolarHBondContact O-N 2.87Å |
| 150 | R | 98.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 94.8 Ų | 94.8 | 57% | 0.566 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 174.7 | -72.8 | 175.5 | -168.4 | 122.6 | -5.3 | 112.2 | K146 A147 E148 E153 L154 | K146-R150 VanDerWaalsContact O-CG 3.26Å; K146-R150 WeakPolarHBondContact O-CG 3.49Å; K146-R150 PolarHBondContact O-N 3.36Å; K146-R150 VanDerWaalsContact O-N 3.11Å; A147-R150 PolarHBondContact O-N 2.94Å; E148-R150 VanDerWaalsContact C-N 3.29Å; E148-R150 PolarHBondContact O-N 3.5Å; R150-E153 PolarHBondContact O-N 3.23Å; R150-L154 WeakPolarHBondContact O-CG 3.38Å; R150-L154 PolarHBondContact O-N 2.94Å; R150-L154 VanDerWaalsContact O-N 3.08Å |
| 151 | L | 98.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 65% | 0.654 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 175.1 | -67.7 | 175.2 | 0 | 0 | 0 | 111.2 | A147 E148 E153 L154 E155 | A147-L151 PolarHBondContact O-N 3.1Å; E148-L151 PolarHBondContact O-N 2.9Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 3.41Å; L151-L154 PolarHBondContact O-N 2.92Å; L151-E155 PolarHBondContact O-N 3.45Å; L151-E155 VanDerWaalsContact O-N 3.09Å |
| 152 | K | 98.5 | Very high | 97.8 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.7 | -71.3 | 168.1 | -177.6 | 158.4 | 0 | 111.3 | E148 L149 E155 V156 | E148-K152 WeakPolarHBondContact O-CG 3.41Å; E148-K152 PolarHBondContact O-N 2.67Å; E148-K152 IonicContact OE2-NZ 3.82Å; E148-K152 PolarHBondContact OE2-NZ 3.31Å; E148-K152 VanDerWaalsContact OE2-NZ 3.11Å; L149-K152 PolarHBondContact O-N 3.42Å; K152-E155 PolarHBondContact O-N 2.93Å; K152-V156 WeakPolarHBondContact O-CB 3.42Å; K152-V156 VanDerWaalsContact O-CG2 3.24Å; K152-V156 WeakPolarHBondContact O-CG2 3.28Å; K152-V156 PolarHBondContact O-N 2.85Å |
| 153 | E | 98.1 | Very high | 97.7 | Very high | 76 Ų | 76 | 103.1 Ų | 103.1 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 177.1 | -175.1 | -174.2 | 179.5 | 0 | 0 | 111.8 | L149 R150 L151 E155 V156 R157 | L149-E153 VanDerWaalsContact O-CB 3.32Å; L149-E153 WeakPolarHBondContact O-CB 3.41Å; L149-E153 PolarHBondContact O-N 2.87Å; R150-E153 PolarHBondContact O-N 3.23Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 3.41Å; E153-E155 VanDerWaalsContact C-N 3.32Å; E153-E155 PolarHBondContact O-N 3.46Å; E153-V156 PolarHBondContact O-N 3.36Å; E153-R157 HydrophobicContact CG-CG 4.47Å; E153-R157 WeakPolarHBondContact O-CB 3.3Å; E153-R157 WeakPolarHBondContact O-CG 3.41Å; E153-R157 PolarHBondContact O-N 3.44Å; E153-R157 IonicContact OE1-CZ 3.58Å; E153-R157 IonicContact OE1-NE 3.42Å; E153-R157 PolarHBondContact OE1-NE 2.88Å; E153-R157 VanDerWaalsContact OE1-NE 3.12Å; E153-R157 IonicContact OE1-NH2 2.84Å; E153-R157 PolarHBondContact OE1-NH2 3.49Å |
| 154 | L | 98 | Very high | 97.4 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 177.6 | -71.5 | 175.1 | 0 | 0 | 0 | 111.6 | R150 L151 R157 R158 | R150-L154 WeakPolarHBondContact O-CG 3.38Å; R150-L154 PolarHBondContact O-N 2.94Å; R150-L154 VanDerWaalsContact O-N 3.08Å; L151-L154 PolarHBondContact O-N 2.92Å; L154-R157 PolarHBondContact O-N 3.09Å; L154-R158 WeakPolarHBondContact O-CB 3.38Å; L154-R158 PolarHBondContact O-N 3.31Å |
| 155 | E | 97.9 | Very high | 97.2 | Very high | 83 Ų | 83 | 102.5 Ų | 102.5 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 178.1 | -176.3 | 57.8 | -164.2 | 0 | 0 | 111.9 | L151 K152 E153 R157 R158 L159 | L151-E155 PolarHBondContact O-N 3.45Å; L151-E155 VanDerWaalsContact O-N 3.09Å; K152-E155 PolarHBondContact O-N 2.93Å; E153-E155 VanDerWaalsContact C-N 3.32Å; E153-E155 PolarHBondContact O-N 3.46Å; E155-R157 PolarHBondContact O-N 3.47Å; E155-R158 WeakPolarHBondContact O-CB 3.24Å; E155-R158 PolarHBondContact O-N 3.34Å; E155-R158 IonicContact OE1-CZ 2.7Å; E155-R158 IonicContact OE1-NE 3.65Å; E155-R158 PolarHBondContact OE1-NE 3.25Å; E155-R158 IonicContact OE1-NH2 3.11Å; E155-R158 PolarHBondContact OE1-NH2 3.38Å; E155-R158 IonicContact OE2-CZ 3.7Å; E155-R158 IonicContact OE2-NE 2.67Å; E155-R158 PolarHBondContact OE2-NE 3.48Å; E155-R158 IonicContact OE2-NH2 3.45Å; E155-L159 HydrophobicContact CG-CD1 4.39Å; E155-L159 WeakPolarHBondContact O-CG 3.43Å; E155-L159 PolarHBondContact O-N 3.08Å |
| 156 | V | 97.6 | Very high | 97 | Very high | 63 Ų | 63 | 98.4 Ų | 98.4 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | K152 E153 R158 L159 M160 | K152-V156 WeakPolarHBondContact O-CB 3.42Å; K152-V156 VanDerWaalsContact O-CG2 3.24Å; K152-V156 WeakPolarHBondContact O-CG2 3.28Å; K152-V156 PolarHBondContact O-N 2.85Å; E153-V156 PolarHBondContact O-N 3.36Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 2.96Å; V156-L159 PolarHBondContact O-N 3.08Å; V156-M160 HydrophobicContact CG1-CE 3.57Å; V156-M160 HydrophobicContact CG1-CG 4.22Å; V156-M160 HydrophobicContact CG1-SD 3.77Å; V156-M160 WeakPolarHBondContact O-CB 3.41Å; V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.32Å; V156-M160 PolarHBondContact O-N 2.68Å |
| 157 | R | 96.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 38% | 0.377 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 176.5 | -75.4 | -178.2 | -180 | -156.6 | 2.8 | 112.1 | E153 L154 E155 R161 W168 | E153-R157 HydrophobicContact CG-CG 4.47Å; E153-R157 WeakPolarHBondContact O-CB 3.3Å; E153-R157 WeakPolarHBondContact O-CG 3.41Å; E153-R157 PolarHBondContact O-N 3.44Å; E153-R157 IonicContact OE1-CZ 3.58Å; E153-R157 IonicContact OE1-NE 3.42Å; E153-R157 PolarHBondContact OE1-NE 2.88Å; E153-R157 VanDerWaalsContact OE1-NE 3.12Å; E153-R157 IonicContact OE1-NH2 2.84Å; E153-R157 PolarHBondContact OE1-NH2 3.49Å; L154-R157 PolarHBondContact O-N 3.09Å; E155-R157 PolarHBondContact O-N 3.47Å; R157-R161 WeakPolarHBondContact O-CB 3.32Å; R157-R161 PolarHBondContact O-N 2.79Å; R157-R161 VanDerWaalsContact O-N 3.08Å; R157-W168 HydrophobicContact CG-CE3 3.87Å; R157-W168 HydrophobicContact CG-CZ3 3.67Å |
| 158 | R | 96.8 | Very high | 96.6 | Very high | 130 Ų | 130 | 102.1 Ų | 102.1 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 175.9 | -171.7 | -173.1 | 74.9 | 83.7 | 0.4 | 110.8 | L154 E155 V156 R161 M162 | L154-R158 WeakPolarHBondContact O-CB 3.38Å; L154-R158 PolarHBondContact O-N 3.31Å; E155-R158 WeakPolarHBondContact O-CB 3.24Å; E155-R158 PolarHBondContact O-N 3.34Å; E155-R158 IonicContact OE1-CZ 2.7Å; E155-R158 IonicContact OE1-NE 3.65Å; E155-R158 PolarHBondContact OE1-NE 3.25Å; E155-R158 IonicContact OE1-NH2 3.11Å; E155-R158 PolarHBondContact OE1-NH2 3.38Å; E155-R158 IonicContact OE2-CZ 3.7Å; E155-R158 IonicContact OE2-NE 2.67Å; E155-R158 PolarHBondContact OE2-NE 3.48Å; E155-R158 IonicContact OE2-NH2 3.45Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 2.96Å; R158-R161 PolarHBondContact O-N 3.4Å; R158-M162 VanDerWaalsContact O-CG 3.28Å; R158-M162 WeakPolarHBondContact O-CG 3.4Å; R158-M162 PolarHBondContact O-N 3.14Å |
| 159 | L | 97.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 100.5 Ų | 100.5 | 28% | 0.283 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | -179.9 | -69.6 | 173.8 | 0 | 0 | 0 | 112.3 | E155 V156 R161 M162 R163 | E155-L159 HydrophobicContact CG-CD1 4.39Å; E155-L159 WeakPolarHBondContact O-CG 3.43Å; E155-L159 PolarHBondContact O-N 3.08Å; V156-L159 PolarHBondContact O-N 3.08Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 2.86Å; L159-M162 PolarHBondContact O-N 3.17Å; L159-M162 VanDerWaalsContact O-N 3.14Å; L159-R163 PolarHBondContact O-N 3.12Å |
| 160 | M | 96.2 | Very high | 96.1 | Very high | 37 Ų | 37 | 102.8 Ų | 102.8 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 178.3 | -72.5 | -178.9 | 171.4 | 0 | 0 | 112 | V156 M162 G164 W168 Y169 | V156-M160 HydrophobicContact CG1-CE 3.57Å; V156-M160 HydrophobicContact CG1-CG 4.22Å; V156-M160 HydrophobicContact CG1-SD 3.77Å; V156-M160 WeakPolarHBondContact O-CB 3.41Å; V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.32Å; V156-M160 PolarHBondContact O-N 2.68Å; M160-M162 VanDerWaalsContact C-N 3.35Å; M160-M162 PolarHBondContact O-N 2.89Å; M160-G164 WeakPolarHBondContact O-CA 3.31Å; M160-G164 PolarHBondContact O-N 2.84Å; M160-W168 HydrophobicContact SD-CB 4.12Å; M160-W168 HydrophobicContact SD-CD2 4.34Å; M160-W168 HydrophobicContact SD-CE3 3.98Å; M160-W168 HydrophobicContact SD-CG 4.42Å; M160-Y169 HydrophobicContact CB-CD2 4.46Å |
| 161 | R | 94.9 | Very high | 95.9 | Very high | 164 Ų | 164 | 104.4 Ų | 104.4 | 62% | 0.619 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 175.6 | -173 | -178.1 | -64.4 | 178.9 | 1.1 | 112.6 | R157 R158 L159 Y169 | R157-R161 WeakPolarHBondContact O-CB 3.32Å; R157-R161 PolarHBondContact O-N 2.79Å; R157-R161 VanDerWaalsContact O-N 3.08Å; R158-R161 PolarHBondContact O-N 3.4Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 2.86Å; R161-Y169 HydrophobicContact CB-CD2 3.94Å; R161-Y169 HydrophobicContact CB-CE2 4.05Å; R161-Y169 HydrophobicContact CB-CG 4.41Å; R161-Y169 PolarHBondContact NH2-OH 3.49Å |
| 162 | M | 95.6 | Very high | 95.7 | Very high | 151 Ų | 151 | 107 Ų | 107 | 74% | 0.744 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -75.2 | -34.8 | -178.5 | -70.3 | -64.5 | -62.5 | 0 | 0 | 112.9 | R158 L159 M160 | R158-M162 VanDerWaalsContact O-CG 3.28Å; R158-M162 WeakPolarHBondContact O-CG 3.4Å; R158-M162 PolarHBondContact O-N 3.14Å; L159-M162 PolarHBondContact O-N 3.17Å; L159-M162 VanDerWaalsContact O-N 3.14Å; M160-M162 VanDerWaalsContact C-N 3.35Å; M160-M162 PolarHBondContact O-N 2.89Å |
| 163 | R | 96.1 | Very high | 95.4 | Very high | 171 Ų | 171 | 106.8 Ų | 106.8 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -99 | -33.5 | -174.6 | -66.1 | -179.3 | -177.8 | 175.8 | 0.2 | 114 | L159 D165 | L159-R163 PolarHBondContact O-N 3.12Å; R163-D165 HydrophobicContact CB-CB 4.33Å; R163-D165 WeakPolarHBondContact CB-OD1 3.4Å; R163-D165 VanDerWaalsContact CD-OD2 3.3Å; R163-D165 WeakPolarHBondContact CD-OD2 3.39Å; R163-D165 PolarHBondContact O-N 3.4Å |
| 164 | G | 93.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 110.1 Ų | 110.1 | 45% | 0.454 | 52% | 0.52 | S | S | . | . | trans | 69.4 | 15.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M160 | M160-G164 WeakPolarHBondContact O-CA 3.31Å; M160-G164 PolarHBondContact O-N 2.84Å | ||
| 165 | D | 94.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 108.8 Ų | 108.8 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | trans | -89.1 | -12.6 | -178.2 | 58.5 | -5.8 | 0 | 0 | 0 | 113.6 | R163 | R163-D165 HydrophobicContact CB-CB 4.33Å; R163-D165 WeakPolarHBondContact CB-OD1 3.4Å; R163-D165 VanDerWaalsContact CD-OD2 3.3Å; R163-D165 WeakPolarHBondContact CD-OD2 3.39Å; R163-D165 PolarHBondContact O-N 3.4Å | ||
| 166 | G | 93.5 | Very high | 95.1 | Very high | 11 Ų | 11 | 112.1 Ų | 112.1 | 11% | 0.113 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -89.3 | 168.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | W168 | G166-W168 PolarHBondContact O-N 3.37Š|
| 167 | P | 95.8 | Very high | 94.9 | Very high | 108 Ų | 108 | 116.5 Ų | 116.5 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -70.8 | -14.9 | 175.3 | 30.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 168 | W | 92.6 | Very high | 94.8 | Very high | 124 Ų | 124 | 118.1 Ų | 118.1 | 47% | 0.47 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -97.8 | 148.7 | 175.2 | -65.5 | -15.2 | 0 | 0 | 0 | 110.5 | R157 M160 G166 Y170 | R157-W168 HydrophobicContact CG-CE3 3.87Å; R157-W168 HydrophobicContact CG-CZ3 3.67Å; M160-W168 HydrophobicContact SD-CB 4.12Å; M160-W168 HydrophobicContact SD-CD2 4.34Å; M160-W168 HydrophobicContact SD-CE3 3.98Å; M160-W168 HydrophobicContact SD-CG 4.42Å; G166-W168 PolarHBondContact O-N 3.37Å; W168-Y170 PolarHBondContact O-N 3.31Å |
| 169 | Y | 92.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 116.8 Ų | 116.8 | 29% | 0.286 | 56% | 0.56 | S | S | . | * | S | Bend | trans | 62.2 | 22.2 | -173.3 | -52.4 | -72.8 | 0 | 0 | 0 | 114.4 | M160 R161 Y171 | M160-Y169 HydrophobicContact CB-CD2 4.46Å; R161-Y169 HydrophobicContact CB-CD2 3.94Å; R161-Y169 HydrophobicContact CB-CE2 4.05Å; R161-Y169 HydrophobicContact CB-CG 4.41Å; R161-Y169 PolarHBondContact NH2-OH 3.49Å; Y169-Y171 WeakPolarHBondContact O-CD2 3.36Å; Y169-Y171 PolarHBondContact O-N 3.29Å |
| 170 | Y | 94.7 | Very high | 94.4 | Very high | 156 Ų | 156 | 118.9 Ų | 118.9 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | trans | -72.5 | 112.7 | 164.8 | -176.2 | -100.9 | 0 | 0 | 0 | 108.8 | W168 E172 | W168-Y170 PolarHBondContact O-N 3.31Å; Y170-E172 HydrophobicContact CD1-CG 4.3Å; Y170-E172 HydrophobicContact CE1-CG 4.03Å | ||
| 171 | Y | 94.1 | Very high | 94.1 | Very high | 183 Ų | 183 | 124.9 Ų | 124.9 | 72% | 0.718 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 119 | 172 | -61.4 | -72.4 | 0 | 0 | 0 | 107.8 | Y169 T173 | Y169-Y171 WeakPolarHBondContact O-CD2 3.36Å; Y169-Y171 PolarHBondContact O-N 3.29Å; Y171-T173 PolarHBondContact O-N 3.33Å |
| 172 | E | 93.1 | Very high | 93.9 | Very high | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.9 | -177.1 | -66.6 | 175.2 | -179.8 | 0 | 0 | 110.9 | Y170 | Y170-E172 HydrophobicContact CD1-CG 4.3Å; Y170-E172 HydrophobicContact CE1-CG 4.03Å |
| 173 | T | 94.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 118.9 Ų | 118.9 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 166.9 | 170.8 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | Y171 D175 | Y171-T173 PolarHBondContact O-N 3.33Å; T173-D175 PolarHBondContact O-N 3.23Å |
| 174 | I | 95.7 | Very high | 93.5 | Very high | 145 Ų | 145 | 115.3 Ų | 115.3 | 74% | 0.744 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.3 | 174.1 | -59.5 | 176.2 | 0 | 0 | 0 | 108.7 | L178 | I174-L178 HydrophobicContact CG2-CD1 3.79Š|
| 175 | D | 95.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 118.5 Ų | 118.5 | 47% | 0.465 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 136.9 | 178.9 | -167.4 | 6.2 | 0 | 0 | 0 | 110.4 | T173 E177 L178 | T173-D175 PolarHBondContact O-N 3.23Å; D175-E177 PolarHBondContact O-N 3.3Å; D175-L178 PolarHBondContact O-N 3.25Å |
| 176 | K | 94.6 | Very high | 93.1 | Very high | 152 Ų | 152 | 116.9 Ų | 116.9 | 66% | 0.661 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -64.2 | -24.7 | 179.8 | 67.5 | 177.2 | -175.9 | 176.2 | 0 | 111.9 | L178 I179 | K176-L178 PolarHBondContact O-N 3.32Å; K176-I179 VanDerWaalsContact O-CB 3.31Å; K176-I179 WeakPolarHBondContact O-CB 3.33Å; K176-I179 WeakPolarHBondContact O-CG1 3.31Å; K176-I179 PolarHBondContact O-N 3.38Å |
| 177 | E | 94.4 | Very high | 92.6 | Very high | 156 Ų | 156 | 122.5 Ų | 122.5 | 73% | 0.729 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -67 | -16.8 | -178 | -60.6 | -167.6 | 172.4 | 0 | 0 | 113 | D175 I179 | D175-E177 PolarHBondContact O-N 3.3Å; E177-I179 PolarHBondContact O-N 3.04Å |
| 178 | L | 94.1 | Very high | 92 | Very high | 133 Ų | 133 | 124.4 Ų | 124.4 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -73.9 | -11.2 | 173.4 | -61.7 | 169.9 | 0 | 0 | 0 | 112.8 | I174 D175 K176 D180 | I174-L178 HydrophobicContact CG2-CD1 3.79Å; D175-L178 PolarHBondContact O-N 3.25Å; K176-L178 PolarHBondContact O-N 3.32Å; L178-D180 PolarHBondContact O-N 3.42Å |
| 179 | I | 92.6 | Very high | 90.7 | Very high | 102 Ų | 102 | 127 Ų | 127 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -74.4 | 115 | 177.1 | -59.4 | 171.9 | 0 | 0 | 0 | 109 | K176 E177 H181 | K176-I179 VanDerWaalsContact O-CB 3.31Å; K176-I179 WeakPolarHBondContact O-CB 3.33Å; K176-I179 WeakPolarHBondContact O-CG1 3.31Å; K176-I179 PolarHBondContact O-N 3.38Å; E177-I179 PolarHBondContact O-N 3.04Å; I179-H181 PolarHBondContact O-CD2 3.21Å; I179-H181 PolarHBondContact O-N 3.31Å |
| 180 | D | 92.7 | Very high | 90.6 | Very high | 98 Ų | 98 | 129.7 Ų | 129.7 | 52% | 0.524 | 68% | 0.679 | S | S | . | * | trans | -75.7 | 113.5 | 172.1 | 172.3 | 27.9 | 0 | 0 | 0 | 110.5 | L178 S182 K184 | L178-D180 PolarHBondContact O-N 3.42Å; D180-S182 VanDerWaalsContact C-N 3.35Å; D180-S182 WeakPolarHBondContact OD1-CB 3.18Å; D180-S182 PolarHBondContact OD1-N 2.75Å; D180-S182 PolarHBondContact OD1-OG 3.39Å; D180-S182 PolarHBondContact OD2-OG 3.18Å; D180-K184 VanDerWaalsContact CG-NZ 3.32Å; D180-K184 PolarHBondContact O-NZ 2.84Å; D180-K184 IonicContact OD1-NZ 2.87Å; D180-K184 IonicContact OD2-NZ 3.15Å; D180-K184 PolarHBondContact OD2-NZ 2.9Å | ||
| 181 | H | 90.5 | Very high | 90.4 | Very high | 164 Ų | 164 | 128.3 Ų | 128.3 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | trans | -90 | 11.7 | 177.7 | -64.1 | -65.5 | 0 | 0 | 0 | 114.1 | I179 | I179-H181 PolarHBondContact O-CD2 3.21Å; I179-H181 PolarHBondContact O-N 3.31Å | ||
| 182 | S | 90.9 | Very high | 90.2 | Very high | 55 Ų | 55 | 125.2 Ų | 125.2 | 39% | 0.385 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -64.9 | 153 | 174.1 | 73.6 | 0 | 0 | 0 | 0 | 112.6 | D180 K184 | D180-S182 VanDerWaalsContact C-N 3.35Å; D180-S182 WeakPolarHBondContact OD1-CB 3.18Å; D180-S182 PolarHBondContact OD1-N 2.75Å; D180-S182 PolarHBondContact OD1-OG 3.39Å; D180-S182 PolarHBondContact OD2-OG 3.18Å; S182-K184 PolarHBondContact O-N 2.78Å; S182-K184 PolarHBondContact O-NZ 3.03Å; S182-K184 PolarHBondContact OG-NZ 2.75Å |
| 183 | P | 90.8 | Very high | 90.1 | Very high | 134 Ų | 134 | 122 Ų | 122 | 87% | 0.87 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 125.4 | 174.6 | -22.6 | 33.2 | 0 | 0 | 0 | 111.5 | ||
| 184 | K | 92.6 | Very high | 89.8 | Confident | 95 Ų | 95 | 122.8 Ų | 122.8 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -87.3 | 163.2 | -178.5 | -58.8 | -65 | 178.4 | -92.9 | 0 | 111.5 | D180 S182 T186 N189 | D180-K184 VanDerWaalsContact CG-NZ 3.32Å; D180-K184 PolarHBondContact O-NZ 2.84Å; D180-K184 IonicContact OD1-NZ 2.87Å; D180-K184 IonicContact OD2-NZ 3.15Å; D180-K184 PolarHBondContact OD2-NZ 2.9Å; S182-K184 PolarHBondContact O-N 2.78Å; S182-K184 PolarHBondContact O-NZ 3.03Å; S182-K184 PolarHBondContact OG-NZ 2.75Å; K184-T186 PolarHBondContact O-N 3.27Å; K184-N189 HydrophobicContact CB-CB 4.48Å |
| 185 | A | 90.2 | Very high | 89.4 | Confident | 111 Ų | 111 | 121.3 Ų | 121.3 | 92% | 0.917 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -66.9 | -21 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 186 | T | 89.2 | Confident | 89 | Confident | 77 Ų | 77 | 123.7 Ų | 123.7 | 47% | 0.472 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -127.3 | 147.5 | 177.7 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | K184 D188 N189 | K184-T186 PolarHBondContact O-N 3.27Å; T186-D188 VanDerWaalsContact C-N 3.32Å; T186-D188 PolarHBondContact O-N 3.27Å; T186-N189 PolarHBondContact OG1-ND2 2.65Å |
| 187 | P | 83.6 | Confident | 88.5 | Confident | 129 Ų | 129 | 121.5 Ų | 121.5 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -69.7 | -22.9 | -173.4 | 25.3 | -33.2 | 0 | 0 | 0 | 114.7 | ||
| 188 | D | 82.8 | Confident | 88 | Confident | 148 Ų | 148 | 118.7 Ų | 118.7 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | -102.9 | 79.8 | 179.8 | -60.9 | -30 | 0 | 0 | 0 | 110.8 | T186 | T186-D188 VanDerWaalsContact C-N 3.32Å; T186-D188 PolarHBondContact O-N 3.27Å | ||
| 189 | N | 66.6 | Low | 87.5 | Confident | 178 Ų | 178 | 117.4 Ų | 117.4 | 95% | 0.952 | 68% | 0.677 | S | S | * | * | trans | -151.2 | 0 | 169 | -67.8 | -49.2 | 0 | 0 | 0 | 112.1 | K184 T186 | K184-N189 HydrophobicContact CB-CB 4.48Å; T186-N189 PolarHBondContact OG1-ND2 2.65Å |
Retrieved 189 of 189 residues in 634.6 ms
(Link to these results)