| 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 | 45.8 | Very low | 36.4 | Very low | 250 Ų | 250 | 117.5 Ų | 117.5 | 100% | 1.232 | 87% | 0.873 | S | S | * | * | 0 | 144 | 0 | -79.3 | 169.6 | 165.9 | 0 | 0 | 108.2 | |||||
| 2 | A | 37.7 | Very low | 36.2 | Very low | 101 Ų | 101 | 122 Ų | 122 | 84% | 0.835 | 88% | 0.875 | S | S | * | * | trans | -50.3 | 131.5 | -159.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3 | S | 38.9 | Very low | 36.4 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 86% | 0.858 | S | S | * | * | 5.4 | 169.9 | 120.5 | -124.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 4 | P | 49.2 | Very low | 36.3 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 86% | 0.861 | S | S | * | * | -139 | 176.7 | -60.6 | 38.4 | -19.3 | 0 | 0 | 0 | 113.8 | |||||
| 5 | G | 32.6 | Very low | 36.5 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 85% | 0.845 | 87% | 0.866 | S | S | * | * | trans | 86.7 | 145.1 | 130.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 6 | G | 32.7 | Very low | 36.1 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | trans | 93 | 100.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 7 | Q | 33.2 | Very low | 36.2 | Very low | 202 Ų | 202 | 124.4 Ų | 124.4 | 94% | 0.944 | 86% | 0.862 | S | S | * | * | 72.9 | 109.6 | 69 | -158.6 | 169.4 | 108 | 0 | 0 | 114.9 | |||||
| 8 | G | 33.6 | Very low | 36.2 | Very low | 82 Ų | 82 | 124 Ų | 124 | 85% | 0.845 | 86% | 0.859 | S | S | * | * | trans | 78.2 | 149.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 9 | G | 28 | Very low | 36.7 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | 127.4 | 105 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 10 | G | 34.7 | Very low | 37.6 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | -65.3 | 159.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 11 | A | 34.2 | Very low | 38.7 | Very low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | trans | -136.7 | 103.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | L | 33.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | -73.6 | 138.8 | 164.3 | -170.6 | 78.1 | 0 | 0 | 0 | 108.8 | ||||
| 13 | S | 39.4 | Very low | 40.6 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 83% | 0.829 | S | S | * | * | trans | 57.7 | 126.2 | 151.7 | -165.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 14 | T | 34.1 | Very low | 41.7 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | -150.5 | 127 | 108.2 | 44.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 15 | R | 39 | Very low | 42.7 | Very low | 251 Ų | 251 | 134 Ų | 134 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | trans | -84.4 | 139.5 | 171.1 | 179.7 | -176.3 | -178.2 | -164.6 | 1.7 | 108.8 | ||||
| 16 | G | 30.5 | Very low | 44.2 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 138.2 | 98.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 17 | G | 38.8 | Very low | 45.8 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | 120.2 | 86.1 | 63.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 18 | S | 35.9 | Very low | 47.2 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -143.3 | 115.3 | 158.7 | 48.1 | 0 | 0 | 0 | 0 | 106.8 | A20 | S18-A20 PolarHBondContact O-N 2.95Š| ||
| 19 | G | 45.5 | Very low | 48.4 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -58.1 | 112.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R21 | G19-R21 PolarHBondContact O-N 3.03Š| ||
| 20 | A | 55.2 | Low | 49.3 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -57.5 | 108.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S18 R22 | S18-A20 PolarHBondContact O-N 2.95Å; A20-R22 PolarHBondContact O-N 2.91Å | ||
| 21 | R | 60.5 | Low | 50.2 | Low | 219 Ų | 219 | 141.7 Ų | 141.7 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -56.8 | 108 | 175.4 | -77.5 | -170.9 | -89 | -165.1 | -4.9 | 107.2 | G19 M23 | G19-R21 PolarHBondContact O-N 3.03Å; R21-M23 VanDerWaalsContact C-N 3.28Å; R21-M23 HydrophobicContact CB-SD 4.47Å; R21-M23 PolarHBondContact O-N 3.01Å | ||
| 22 | R | 59.8 | Low | 51.1 | Low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -61 | 93.8 | 170.9 | -104 | -177.2 | 166.3 | -165.2 | -3.4 | 107.3 | A20 K24 | A20-R22 PolarHBondContact O-N 2.91Å; R22-K24 PolarHBondContact O-N 2.83Å | ||
| 23 | M | 63.7 | Low | 52 | Low | 137 Ų | 137 | 139 Ų | 139 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -68.5 | 101.1 | 174.1 | -61.9 | -59.9 | -144.2 | 0 | 0 | 107.2 | R21 W25 A26 | R21-M23 VanDerWaalsContact C-N 3.28Å; R21-M23 HydrophobicContact CB-SD 4.47Å; R21-M23 PolarHBondContact O-N 3.01Å; M23-W25 PolarHBondContact O-N 2.95Å; M23-A26 HydrophobicContact CB-CB 4.03Å; M23-A26 PolarHBondContact O-N 3.01Å | ||
| 24 | K | 61.6 | Low | 52.5 | Low | 173 Ų | 173 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -13.9 | -177.1 | -74.3 | 178.4 | 75.8 | -109.5 | 0 | 113.5 | R22 | R22-K24 PolarHBondContact O-N 2.83Š|
| 25 | W | 69.1 | Low | 53.1 | Low | 218 Ų | 218 | 141.9 Ų | 141.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 27.6 | -173.3 | -56.9 | 117.6 | 0 | 0 | 0 | 113.3 | M23 L27 | M23-W25 PolarHBondContact O-N 2.95Å; W25-L27 PolarHBondContact O-N 3.4Å |
| 26 | A | 64.5 | Low | 53.3 | Low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | trans | -63.4 | 106.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | M23 | M23-A26 HydrophobicContact CB-CB 4.03Å; M23-A26 PolarHBondContact O-N 3.01Å | ||
| 27 | L | 66.6 | Low | 54 | Low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -81.4 | 118.7 | 175.5 | -78.1 | 159.4 | 0 | 0 | 0 | 108.6 | W25 | W25-L27 PolarHBondContact O-N 3.4Š| ||
| 28 | E | 62 | Low | 54.4 | Low | 130 Ų | 130 | 142.4 Ų | 142.4 | 61% | 0.607 | 77% | 0.769 | S | S | * | * | trans | -100.9 | 103 | 172 | -150.7 | -102.3 | 160.6 | 0 | 0 | 107.4 | S30 R35 | E28-S30 PolarHBondContact O-N 3.23Å; E28-S30 WeakPolarHBondContact OE1-CB 3.19Å; E28-S30 WeakPolarHBondContact OE2-CB 3.37Å; E28-R35 IonicContact OE2-NH2 3.32Å; E28-R35 PolarHBondContact OE2-NH2 3.26Å | ||
| 29 | L | 60.6 | Low | 54.8 | Low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -87.7 | 58.7 | 176.7 | -80.2 | 146.2 | 0 | 0 | 0 | 109.4 | V31 | L29-V31 PolarHBondContact O-N 3.38Š| ||
| 30 | S | 45.3 | Very low | 54.9 | Low | 70 Ų | 70 | 151.6 Ų | 151.6 | 49% | 0.49 | 77% | 0.774 | S | S | . | * | trans | -89.7 | 99.3 | 171.5 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | E28 G32 | E28-S30 PolarHBondContact O-N 3.23Å; E28-S30 WeakPolarHBondContact OE1-CB 3.19Å; E28-S30 WeakPolarHBondContact OE2-CB 3.37Å; S30-G32 PolarHBondContact O-N 3.32Å | ||
| 31 | V | 54.8 | Low | 54.4 | Low | 152 Ų | 152 | 156.4 Ų | 156.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -65.8 | 101.1 | 151.3 | 166.9 | 0 | 0 | 0 | 0 | 106.4 | L29 | L29-V31 PolarHBondContact O-N 3.38Š| ||
| 32 | G | 52.3 | Low | 53.5 | Low | 54 Ų | 54 | 149.3 Ų | 149.3 | 56% | 0.557 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 133.2 | 96.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S30 | S30-G32 PolarHBondContact O-N 3.32Š|
| 33 | N | 52.5 | Low | 52.7 | Low | 167 Ų | 167 | 141.3 Ų | 141.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | 82.6 | 132.3 | 140.8 | -143.9 | 39.3 | 0 | 0 | 0 | 120 | ||||
| 34 | A | 49.8 | Very low | 51.6 | Low | 86 Ų | 86 | 145.1 Ų | 145.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 66.3 | 64.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 35 | R | 47.2 | Very low | 50.9 | Low | 215 Ų | 215 | 139.4 Ų | 139.4 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -86.5 | 112.1 | 150.5 | -69.8 | -170.6 | -174.1 | 171.9 | 5.8 | 109.4 | E28 | E28-R35 IonicContact OE2-NH2 3.32Å; E28-R35 PolarHBondContact OE2-NH2 3.26Å | ||
| 36 | S | 42.6 | Very low | 50.2 | Low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -35.9 | 131.7 | 177.6 | -161 | 0 | 0 | 0 | 0 | 113.7 | G38 | S36-G38 PolarHBondContact O-N 3.12Š| ||
| 37 | R | 46.2 | Very low | 50 | Low | 252 Ų | 252 | 137.7 Ų | 137.7 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 33.2 | 174.4 | -164.2 | -175.4 | 179.8 | 175.7 | 0.6 | 112.5 | ||
| 38 | G | 46.8 | Very low | 49.8 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -13.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S36 | S36-G38 PolarHBondContact O-N 3.12Š|
| 39 | D | 45 | Very low | 49.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -105.9 | 21.2 | -173.5 | -150.9 | 36.6 | 0 | 0 | 0 | 113.5 | ||
| 40 | R | 47.9 | Very low | 50.4 | Low | 226 Ų | 226 | 133.1 Ų | 133.1 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -101.7 | 18 | 178.5 | -84.2 | -173.8 | 174.2 | 176 | -4.6 | 113.7 | ||
| 41 | Q | 44.7 | Very low | 51.5 | Low | 198 Ų | 198 | 138.5 Ų | 138.5 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -129.5 | 54.2 | -179.2 | -156 | 156 | 51.9 | 0 | 0 | 111.6 | ||||
| 42 | G | 41.6 | Very low | 51.9 | Low | 69 Ų | 69 | 135.1 Ų | 135.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -130.8 | 110.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 43 | G | 41.8 | Very low | 52.4 | Low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 56.8 | 93.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | G45 | G43-G45 PolarHBondContact O-N 2.79Š| ||
| 44 | Q | 41.9 | Very low | 53.3 | Low | 217 Ų | 217 | 134.2 Ų | 134.2 | 100% | 1.014 | 75% | 0.751 | S | S | * | * | trans | -65.2 | 76.5 | 160.7 | -167.5 | -177.6 | 20.5 | 0 | 0 | 109.2 | ||||
| 45 | G | 45.6 | Very low | 53.7 | Low | 54 Ų | 54 | 137 Ų | 137 | 56% | 0.557 | 75% | 0.749 | S | S | * | * | trans | -124.2 | 106.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | G43 V47 | G43-G45 PolarHBondContact O-N 2.79Å; G45-V47 PolarHBondContact O-N 2.88Å | ||
| 46 | D | 54.8 | Low | 54.7 | Low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | 20.9 | 63.7 | 162 | -71 | -51.9 | 0 | 0 | 0 | 117.8 | V48 | D46-V48 VanDerWaalsContact C-N 3.3Å; D46-V48 PolarHBondContact O-N 3.43Å; D46-V48 VanDerWaalsContact O-N 3.12Å | ||
| 47 | V | 61.1 | Low | 55.3 | Low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | -77.6 | 94.8 | 153.9 | 178.8 | 0 | 0 | 0 | 0 | 106.1 | G45 Y49 | G45-V47 PolarHBondContact O-N 2.88Å; V47-Y49 VanDerWaalsContact C-N 3.29Å; V47-Y49 VanDerWaalsContact O-CD2 3.24Å; V47-Y49 WeakPolarHBondContact O-CD2 3.45Å; V47-Y49 WeakPolarHBondContact O-CE2 3.24Å; V47-Y49 PolarHBondContact O-N 2.97Å | ||
| 48 | V | 62.8 | Low | 55.8 | Low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | trans | -61.3 | 96.8 | 169 | 178.1 | 0 | 0 | 0 | 0 | 106.9 | D46 | D46-V48 VanDerWaalsContact C-N 3.3Å; D46-V48 PolarHBondContact O-N 3.43Å; D46-V48 VanDerWaalsContact O-N 3.12Å | ||
| 49 | Y | 63.4 | Low | 56.3 | Low | 145 Ų | 145 | 129.5 Ų | 129.5 | 57% | 0.569 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 135.7 | 168.4 | -60 | -84.1 | 0 | 0 | 0 | 108.2 | V47 I51 Y53 | V47-Y49 VanDerWaalsContact C-N 3.29Å; V47-Y49 VanDerWaalsContact O-CD2 3.24Å; V47-Y49 WeakPolarHBondContact O-CD2 3.45Å; V47-Y49 WeakPolarHBondContact O-CE2 3.24Å; V47-Y49 PolarHBondContact O-N 2.97Å; Y49-I51 PolarHBondContact O-N 3.09Å; Y49-Y53 AromaticContact CD1-CD1 3.68Å; Y49-Y53 HydrophobicContact CD1-CD1 3.68Å; Y49-Y53 HydrophobicContact CD1-CE1 4.14Å; Y49-Y53 HydrophobicContact CE1-CD1 4.39Å; Y49-Y53 HydrophobicContact CE1-CE1 4.46Å; Y49-Y53 HydrophobicContact CG-CD1 4.48Å |
| 50 | P | 71.4 | Confident | 56.6 | Low | 94 Ų | 94 | 127.3 Ų | 127.3 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 140.3 | 174.5 | 24.6 | -31.1 | 0 | 0 | 0 | 109 | G52 Y53 | P50-G52 PolarHBondContact O-N 2.82Å; P50-G52 VanDerWaalsContact O-N 3.09Å; P50-Y53 WeakPolarHBondContact O-CB 3.49Å; P50-Y53 PolarHBondContact O-N 3Å |
| 51 | I | 67 | Low | 57.1 | Low | 183 Ų | 183 | 120.3 Ų | 120.3 | 94% | 0.938 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 119.7 | -178.5 | -175.9 | 156.5 | 0 | 0 | 0 | 110.1 | Y49 | Y49-I51 PolarHBondContact O-N 3.09Š|
| 52 | G | 63.8 | Low | 57.6 | Low | 82 Ų | 82 | 114.1 Ų | 114.1 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.1 | -1.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P50 | P50-G52 PolarHBondContact O-N 2.82Å; P50-G52 VanDerWaalsContact O-N 3.09Å |
| 53 | Y | 62.7 | Low | 58.3 | Low | 135 Ų | 135 | 115.1 Ų | 115.1 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | trans | -81.7 | 118.2 | 173.7 | -170.4 | -100.3 | 0 | 0 | 0 | 111.9 | Y49 P50 E55 | Y49-Y53 AromaticContact CD1-CD1 3.68Å; Y49-Y53 HydrophobicContact CD1-CD1 3.68Å; Y49-Y53 HydrophobicContact CD1-CE1 4.14Å; Y49-Y53 HydrophobicContact CE1-CD1 4.39Å; Y49-Y53 HydrophobicContact CE1-CE1 4.46Å; Y49-Y53 HydrophobicContact CG-CD1 4.48Å; P50-Y53 WeakPolarHBondContact O-CB 3.49Å; P50-Y53 PolarHBondContact O-N 3Å; Y53-E55 HydrophobicContact CD1-CG 4.49Å; Y53-E55 HydrophobicContact CE1-CG 3.57Å | ||
| 54 | S | 70.9 | Confident | 59 | Low | 67 Ų | 67 | 116.7 Ų | 116.7 | 47% | 0.469 | 65% | 0.654 | S | S | . | * | trans | -130.9 | 120.1 | 171.3 | 166.5 | 0 | 0 | 0 | 0 | 108.7 | K56 | S54-K56 PolarHBondContact O-N 3.45Å; S54-K56 PolarHBondContact OG-N 3.36Å; S54-K56 PolarHBondContact OG-O 2.86Å | ||
| 55 | E | 59.7 | Low | 59.8 | Low | 143 Ų | 143 | 112.1 Ų | 112.1 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -70.1 | -9.6 | 175.4 | -68.1 | -170.4 | 152.8 | 0 | 0 | 113.2 | Y53 | Y53-E55 HydrophobicContact CD1-CG 4.49Å; Y53-E55 HydrophobicContact CE1-CG 3.57Å |
| 56 | K | 66.6 | Low | 60.6 | Low | 161 Ų | 161 | 113 Ų | 113 | 70% | 0.7 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -79.1 | 131.2 | 174.3 | -61.8 | 176.7 | -178.2 | 172.3 | 0 | 108.2 | S54 V58 | S54-K56 PolarHBondContact O-N 3.45Å; S54-K56 PolarHBondContact OG-N 3.36Å; S54-K56 PolarHBondContact OG-O 2.86Å; K56-V58 PolarHBondContact O-N 3.25Å |
| 57 | P | 54.9 | Low | 61.3 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 83% | 0.825 | 61% | 0.608 | S | S | * | * | trans | -55.1 | 108.5 | 166.5 | 22.5 | -29.8 | 0 | 0 | 0 | 106.9 | P59 | P57-P59 WeakPolarHBondContact O-CD 3.38Š| ||
| 58 | V | 57.1 | Low | 61.7 | Low | 95 Ų | 95 | 110.6 Ų | 110.6 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | trans | -66.9 | 119.9 | 178.4 | -149.5 | 0 | 0 | 0 | 0 | 104.5 | K56 D60 | K56-V58 PolarHBondContact O-N 3.25Å; V58-D60 PolarHBondContact O-N 3.37Å | ||
| 59 | P | 58.2 | Low | 62.1 | Low | 97 Ų | 97 | 109 Ų | 109 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | trans | -55.6 | 128.3 | 166.9 | 23.2 | -29.9 | 0 | 0 | 0 | 106.3 | P57 T61 | P57-P59 WeakPolarHBondContact O-CD 3.38Å; P59-T61 VanDerWaalsContact C-N 3.28Å; P59-T61 PolarHBondContact O-N 2.69Å | ||
| 60 | D | 50.9 | Low | 62.5 | Low | 115 Ų | 115 | 107.2 Ų | 107.2 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | trans | -56.9 | 89.2 | -175.9 | -72.8 | -51.5 | 0 | 0 | 0 | 110.5 | V58 S62 I63 Q64 | V58-D60 PolarHBondContact O-N 3.37Å; D60-S62 PolarHBondContact O-N 3.19Å; D60-I63 HydrophobicContact CB-CB 4.06Å; D60-I63 HydrophobicContact CB-CG1 3.61Å; D60-I63 PolarHBondContact O-N 2.91Å; D60-Q64 PolarHBondContact O-N 3.46Å | ||
| 61 | T | 58.7 | Low | 62.7 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.5 | -25.1 | 176.7 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | P59 Q64 E65 | P59-T61 VanDerWaalsContact C-N 3.28Å; P59-T61 PolarHBondContact O-N 2.69Å; T61-Q64 PolarHBondContact O-N 2.89Å; T61-E65 WeakPolarHBondContact O-CB 3.49Å; T61-E65 PolarHBondContact O-N 3.25Å |
| 62 | S | 55.6 | Low | 63.2 | Low | 67 Ų | 67 | 99.6 Ų | 99.6 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 171.5 | 56.3 | 0 | 0 | 0 | 0 | 112 | D60 E65 T66 | D60-S62 PolarHBondContact O-N 3.19Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-T66 WeakPolarHBondContact O-CG2 3.48Å; S62-T66 PolarHBondContact O-N 3.38Å; S62-T66 PolarHBondContact O-OG1 2.77Å; S62-T66 VanDerWaalsContact O-OG1 3.08Å |
| 63 | I | 55 | Low | 63.8 | Low | 90 Ų | 90 | 102.5 Ų | 102.5 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.9 | -63.1 | -73.4 | 0 | 0 | 0 | 109.7 | D60 E65 T66 D67 | D60-I63 HydrophobicContact CB-CB 4.06Å; D60-I63 HydrophobicContact CB-CG1 3.61Å; D60-I63 PolarHBondContact O-N 2.91Å; I63-E65 PolarHBondContact O-N 3.32Å; I63-T66 WeakPolarHBondContact CA-OG1 3.35Å; I63-T66 PolarHBondContact O-N 2.87Å; I63-T66 PolarHBondContact O-OG1 3.32Å; I63-D67 WeakPolarHBondContact O-CB 3.36Å; I63-D67 VanDerWaalsContact O-CG 3.29Å; I63-D67 PolarHBondContact O-N 3.33Å |
| 64 | Q | 57.6 | Low | 64.6 | Low | 109 Ų | 109 | 104.6 Ų | 104.6 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 177.4 | -70.9 | -170.6 | -2.1 | 0 | 0 | 113.3 | D60 T61 K68 | D60-Q64 PolarHBondContact O-N 3.46Å; T61-Q64 PolarHBondContact O-N 2.89Å; Q64-K68 WeakPolarHBondContact O-CG 3.37Å; Q64-K68 PolarHBondContact O-N 3.22Å |
| 65 | E | 59 | Low | 64.8 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70 | -40.5 | 174.8 | -80.5 | -179.8 | 173.4 | 0 | 0 | 111.7 | T61 S62 I63 D67 K68 N69 | T61-E65 WeakPolarHBondContact O-CB 3.49Å; T61-E65 PolarHBondContact O-N 3.25Å; S62-E65 PolarHBondContact O-N 2.89Å; I63-E65 PolarHBondContact O-N 3.32Å; E65-D67 VanDerWaalsContact C-N 3.31Å; E65-D67 PolarHBondContact O-N 3.44Å; E65-K68 PolarHBondContact O-N 3Å; E65-N69 PolarHBondContact O-N 3.41Å; E65-N69 PolarHBondContact O-ND2 3.48Å |
| 66 | T | 62.3 | Low | 65.8 | Low | 73 Ų | 73 | 98.2 Ų | 98.2 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -41 | 173.5 | 51 | 0 | 0 | 0 | 0 | 111.6 | S62 I63 N69 L70 | S62-T66 WeakPolarHBondContact O-CG2 3.48Å; S62-T66 PolarHBondContact O-N 3.38Å; S62-T66 PolarHBondContact O-OG1 2.77Å; S62-T66 VanDerWaalsContact O-OG1 3.08Å; I63-T66 WeakPolarHBondContact CA-OG1 3.35Å; I63-T66 PolarHBondContact O-N 2.87Å; I63-T66 PolarHBondContact O-OG1 3.32Å; T66-N69 PolarHBondContact O-N 2.75Å; T66-L70 WeakPolarHBondContact O-CB 3.42Å; T66-L70 VanDerWaalsContact O-CD1 3.29Å; T66-L70 WeakPolarHBondContact O-CD1 3.23Å; T66-L70 VanDerWaalsContact O-CG 3.23Å; T66-L70 WeakPolarHBondContact O-CG 3.29Å; T66-L70 PolarHBondContact O-N 3.08Å |
| 67 | D | 67.7 | Low | 66.5 | Low | 84 Ų | 84 | 95 Ų | 95 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.3 | -73.3 | -30 | 0 | 0 | 0 | 111.9 | I63 E65 L70 V71 | I63-D67 WeakPolarHBondContact O-CB 3.36Å; I63-D67 VanDerWaalsContact O-CG 3.29Å; I63-D67 PolarHBondContact O-N 3.33Å; E65-D67 VanDerWaalsContact C-N 3.31Å; E65-D67 PolarHBondContact O-N 3.44Å; D67-L70 PolarHBondContact O-N 3.12Å; D67-V71 VanDerWaalsContact O-CG2 3.26Å; D67-V71 WeakPolarHBondContact O-CG2 3.47Å; D67-V71 PolarHBondContact O-N 2.89Å |
| 68 | K | 69.9 | Low | 67.6 | Low | 131 Ų | 131 | 91.5 Ų | 91.5 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 175.1 | -72.5 | 167.7 | -172.3 | 175.4 | 0 | 112.1 | Q64 E65 L70 V71 E72 | Q64-K68 WeakPolarHBondContact O-CG 3.37Å; Q64-K68 PolarHBondContact O-N 3.22Å; E65-K68 PolarHBondContact O-N 3Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 2.95Å; K68-V71 PolarHBondContact O-N 3.05Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 PolarHBondContact O-N 3.46Å |
| 69 | N | 71.1 | Confident | 68.6 | Low | 92 Ų | 92 | 87.1 Ų | 87.1 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 176.7 | -79.7 | -80.9 | 0 | 0 | 0 | 112.1 | E65 T66 K73 | E65-N69 PolarHBondContact O-N 3.41Å; E65-N69 PolarHBondContact O-ND2 3.48Å; T66-N69 PolarHBondContact O-N 2.75Å; N69-K73 WeakPolarHBondContact O-CG 3.26Å; N69-K73 PolarHBondContact O-N 3.27Å; N69-K73 VanDerWaalsContact O-N 3.12Å |
| 70 | L | 73.4 | Confident | 69.6 | Low | 107 Ų | 107 | 85 Ų | 85 | 56% | 0.56 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.3 | -42.3 | 175.5 | -75.3 | 157.1 | 0 | 0 | 0 | 111.8 | T66 D67 K68 K73 R74 | T66-L70 WeakPolarHBondContact O-CB 3.42Å; T66-L70 VanDerWaalsContact O-CD1 3.29Å; T66-L70 WeakPolarHBondContact O-CD1 3.23Å; T66-L70 VanDerWaalsContact O-CG 3.23Å; T66-L70 WeakPolarHBondContact O-CG 3.29Å; T66-L70 PolarHBondContact O-N 3.08Å; D67-L70 PolarHBondContact O-N 3.12Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 3.03Å; L70-R74 WeakPolarHBondContact O-CB 3.47Å; L70-R74 PolarHBondContact O-N 3.35Å |
| 71 | V | 74.6 | Confident | 71.1 | Confident | 52 Ų | 52 | 81 Ų | 81 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110.9 | D67 K68 R74 C75 | D67-V71 VanDerWaalsContact O-CG2 3.26Å; D67-V71 WeakPolarHBondContact O-CG2 3.47Å; D67-V71 PolarHBondContact O-N 2.89Å; K68-V71 PolarHBondContact O-N 3.05Å; V71-R74 PolarHBondContact O-N 3.14Å; V71-C75 PolarHBondContact O-N 2.94Å; V71-C75 PolarHBondContact O-SG 2.93Å |
| 72 | E | 77.3 | Confident | 72.1 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 178.1 | -178.2 | 169.7 | -175.2 | 0 | 0 | 112.3 | K68 R74 C75 W76 | K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 PolarHBondContact O-N 3.46Å; E72-R74 VanDerWaalsContact C-N 3.3Å; E72-R74 PolarHBondContact O-N 3.42Å; E72-C75 PolarHBondContact O-N 3.02Å; E72-W76 PolarHBondContact O-N 3.4Å |
| 73 | K | 76.9 | Confident | 73.2 | Confident | 144 Ų | 144 | 78.6 Ų | 78.6 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 174.1 | -74.2 | 175.3 | -179.4 | 178.1 | 0 | 111.7 | N69 L70 W76 D77 | N69-K73 WeakPolarHBondContact O-CG 3.26Å; N69-K73 PolarHBondContact O-N 3.27Å; N69-K73 VanDerWaalsContact O-N 3.12Å; L70-K73 PolarHBondContact O-N 3.03Å; K73-W76 PolarHBondContact O-N 3.33Å; K73-D77 PolarHBondContact O-N 3.3Å |
| 74 | R | 78.2 | Confident | 74.4 | Confident | 179 Ų | 179 | 80.1 Ų | 80.1 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 176.9 | -173 | 176.5 | -175.6 | 174.7 | 1.4 | 111.9 | L70 V71 E72 D77 V78 | L70-R74 WeakPolarHBondContact O-CB 3.47Å; L70-R74 PolarHBondContact O-N 3.35Å; V71-R74 PolarHBondContact O-N 3.14Å; E72-R74 VanDerWaalsContact C-N 3.3Å; E72-R74 PolarHBondContact O-N 3.42Å; R74-D77 PolarHBondContact O-N 3.21Å; R74-V78 VanDerWaalsContact O-CG2 3.32Å; R74-V78 WeakPolarHBondContact O-CG2 3.27Å; R74-V78 PolarHBondContact O-N 2.9Å |
| 75 | C | 76.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.02 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 177.3 | -67 | 0 | 0 | 0 | 0 | 111.7 | V71 E72 V78 A79 L129 Q138 | V71-C75 PolarHBondContact O-N 2.94Å; V71-C75 PolarHBondContact O-SG 2.93Å; E72-C75 PolarHBondContact O-N 3.02Å; C75-V78 PolarHBondContact O-N 3.29Å; C75-A79 WeakPolarHBondContact O-CB 3.48Å; C75-A79 PolarHBondContact O-N 2.95Å; C75-L129 HydrophobicContact CB-CG 4.33Å; C75-Q138 VanDerWaalsContact CB-OE1 3.23Å |
| 76 | W | 80.2 | Confident | 76.4 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 28% | 0.277 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 172.4 | -90.1 | 108.4 | 0 | 0 | 0 | 112.6 | E72 K73 A79 L80 L137 Q138 | E72-W76 PolarHBondContact O-N 3.4Å; K73-W76 PolarHBondContact O-N 3.33Å; W76-A79 PolarHBondContact O-N 2.9Å; W76-L80 HydrophobicContact CE3-CD1 4.14Å; W76-L80 HydrophobicContact CE3-CG 4.24Å; W76-L80 VanDerWaalsContact O-CB 3.32Å; W76-L80 WeakPolarHBondContact O-CB 3.32Å; W76-L80 VanDerWaalsContact O-CG 3.27Å; W76-L80 WeakPolarHBondContact O-CG 3.33Å; W76-L80 PolarHBondContact O-N 2.85Å; W76-L137 HydrophobicContact CH2-CD2 4.24Å; W76-L137 HydrophobicContact CZ2-CD2 4.5Å; W76-Q138 VanDerWaalsContact CD1-NE2 3.27Å; W76-Q138 HydrophobicContact CD2-CG 4.29Å; W76-Q138 HydrophobicContact CZ2-CG 4.47Å |
| 77 | D | 81.9 | Confident | 77.3 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.1 | -87.8 | -36.1 | 0 | 0 | 0 | 112.9 | K73 R74 G81 K84 | K73-D77 PolarHBondContact O-N 3.3Å; R74-D77 PolarHBondContact O-N 3.21Å; D77-G81 PolarHBondContact O-N 2.87Å; D77-K84 IonicContact OD1-NZ 2.94Å; D77-K84 PolarHBondContact OD1-NZ 3.1Å |
| 78 | V | 77.6 | Confident | 77.9 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | R74 C75 L80 G81 T125 | R74-V78 VanDerWaalsContact O-CG2 3.32Å; R74-V78 WeakPolarHBondContact O-CG2 3.27Å; R74-V78 PolarHBondContact O-N 2.9Å; C75-V78 PolarHBondContact O-N 3.29Å; V78-L80 VanDerWaalsContact C-N 3.34Å; V78-L80 PolarHBondContact O-N 2.99Å; V78-G81 PolarHBondContact O-N 3.4Å; V78-T125 HydrophobicContact CG1-CG2 4.03Å |
| 79 | A | 77 | Confident | 78.1 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | C75 W76 G81 Q138 | C75-A79 WeakPolarHBondContact O-CB 3.48Å; C75-A79 PolarHBondContact O-N 2.95Å; W76-A79 PolarHBondContact O-N 2.9Å; A79-G81 VanDerWaalsContact C-N 3.34Å; A79-Q138 HydrophobicContact CB-CB 4.04Å; A79-Q138 HydrophobicContact CB-CG 4.48Å; A79-Q138 WeakPolarHBondContact CB-O 3.32Å |
| 80 | L | 80.5 | Confident | 78.3 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -82.5 | -9.2 | 177.6 | -67.9 | 170.8 | 0 | 0 | 0 | 113.7 | W76 V78 L83 K84 V141 | W76-L80 HydrophobicContact CE3-CD1 4.14Å; W76-L80 HydrophobicContact CE3-CG 4.24Å; W76-L80 VanDerWaalsContact O-CB 3.32Å; W76-L80 WeakPolarHBondContact O-CB 3.32Å; W76-L80 VanDerWaalsContact O-CG 3.27Å; W76-L80 WeakPolarHBondContact O-CG 3.33Å; W76-L80 PolarHBondContact O-N 2.85Å; V78-L80 VanDerWaalsContact C-N 3.34Å; V78-L80 PolarHBondContact O-N 2.99Å; L80-L83 HydrophobicContact CD2-CD2 4.16Å; L80-L83 WeakPolarHBondContact O-CB 3.29Å; L80-L83 PolarHBondContact O-N 3.3Å; L80-L83 VanDerWaalsContact O-N 3.16Å; L80-K84 WeakPolarHBondContact O-CG 3.44Å; L80-K84 PolarHBondContact O-N 3.47Å; L80-V141 HydrophobicContact CD2-CG1 4.03Å |
| 81 | G | 82.1 | Confident | 78.5 | Confident | 31 Ų | 31 | 71 Ų | 71 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -52 | -54 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D77 V78 A79 L83 K84 | D77-G81 PolarHBondContact O-N 2.87Å; V78-G81 PolarHBondContact O-N 3.4Å; A79-G81 VanDerWaalsContact C-N 3.34Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 3.17Å; G81-K84 PolarHBondContact O-N 2.95Å |
| 82 | P | 78.9 | Confident | 78.3 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -36.6 | 177.7 | -23.1 | 32.5 | 0 | 0 | 0 | 113.2 | Q85 Y142 N146 | P82-Q85 PolarHBondContact O-N 3.31Å; P82-Y142 HydrophobicContact CG-CD2 3.57Å; P82-Y142 HydrophobicContact CG-CE2 3.61Å; P82-N146 WeakPolarHBondContact CG-ND2 3.39Å |
| 83 | L | 80.1 | Confident | 78 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 40% | 0.398 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | -179.5 | -160.7 | 83.6 | 0 | 0 | 0 | 111.7 | L80 G81 Q85 I86 P87 | L80-L83 HydrophobicContact CD2-CD2 4.16Å; L80-L83 WeakPolarHBondContact O-CB 3.29Å; L80-L83 PolarHBondContact O-N 3.3Å; L80-L83 VanDerWaalsContact O-N 3.16Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 3.17Å; L83-Q85 PolarHBondContact O-N 3.09Å; L83-I86 HydrophobicContact CD1-CD1 4.08Å; L83-I86 WeakPolarHBondContact O-CB 3.34Å; L83-I86 PolarHBondContact O-N 2.98Å; L83-P87 WeakPolarHBondContact O-CD 3.43Å |
| 84 | K | 80.3 | Confident | 77.9 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 53% | 0.53 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -22.1 | 177.9 | -72.1 | 170.5 | 179.7 | 160.4 | 0 | 112.8 | D77 L80 G81 P87 | D77-K84 IonicContact OD1-NZ 2.94Å; D77-K84 PolarHBondContact OD1-NZ 3.1Å; L80-K84 WeakPolarHBondContact O-CG 3.44Å; L80-K84 PolarHBondContact O-N 3.47Å; G81-K84 PolarHBondContact O-N 2.95Å; K84-P87 WeakPolarHBondContact O-CD 3.41Å |
| 85 | Q | 77.4 | Confident | 77.5 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -84 | -20 | -179.8 | -170.1 | 148.6 | 7.7 | 0 | 0 | 113.4 | P82 L83 M88 N89 | P82-Q85 PolarHBondContact O-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.09Å; Q85-M88 HydrophobicContact CG-CE 4.06Å; Q85-M88 PolarHBondContact O-N 2.98Å; Q85-N89 PolarHBondContact O-N 3.04Å; Q85-N89 PolarHBondContact O-ND2 3.01Å |
| 86 | I | 79.7 | Confident | 76.7 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | -179.5 | -67.5 | 169.4 | 0 | 0 | 0 | 112.8 | L83 M88 N89 L90 L148 L152 | L83-I86 HydrophobicContact CD1-CD1 4.08Å; L83-I86 WeakPolarHBondContact O-CB 3.34Å; L83-I86 PolarHBondContact O-N 2.98Å; I86-M88 VanDerWaalsContact C-N 3.31Å; I86-M88 PolarHBondContact O-N 2.94Å; I86-N89 PolarHBondContact O-N 3.12Å; I86-L90 HydrophobicContact CG2-CD1 3.7Å; I86-L90 HydrophobicContact CG2-CG 4.4Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 2.91Å; I86-L148 HydrophobicContact CD1-CB 3.86Å; I86-L152 HydrophobicContact CB-CD1 4.49Å; I86-L152 HydrophobicContact CG1-CD1 4.4Å; I86-L152 HydrophobicContact CG2-CD1 3.51Å |
| 87 | P | 82.9 | Confident | 75.8 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 179.6 | -24.2 | 34.2 | 0 | 0 | 0 | 113.3 | L83 K84 L90 F91 | L83-P87 WeakPolarHBondContact O-CD 3.43Å; K84-P87 WeakPolarHBondContact O-CD 3.41Å; P87-L90 PolarHBondContact O-N 3.32Å; P87-F91 WeakPolarHBondContact O-CB 3.43Å; P87-F91 PolarHBondContact O-N 3.24Å |
| 88 | M | 78.8 | Confident | 74.7 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 51% | 0.507 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 178 | -175.8 | 177.1 | 69.4 | 0 | 0 | 110.8 | Q85 I86 F91 I92 | Q85-M88 HydrophobicContact CG-CE 4.06Å; Q85-M88 PolarHBondContact O-N 2.98Å; I86-M88 VanDerWaalsContact C-N 3.31Å; I86-M88 PolarHBondContact O-N 2.94Å; M88-F91 PolarHBondContact O-N 3.23Å; M88-I92 HydrophobicContact CG-CD1 4.31Å; M88-I92 WeakPolarHBondContact O-CG1 3.48Å; M88-I92 PolarHBondContact O-N 3.29Å; M88-I92 VanDerWaalsContact O-N 3.15Å |
| 89 | N | 74.8 | Confident | 73.8 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.08 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 178.9 | -67.6 | -19.8 | 0 | 0 | 0 | 112.2 | Q85 I86 I92 M93 M111 | Q85-N89 PolarHBondContact O-N 3.04Å; Q85-N89 PolarHBondContact O-ND2 3.01Å; I86-N89 PolarHBondContact O-N 3.12Å; N89-I92 PolarHBondContact O-N 3.28Å; N89-M93 WeakPolarHBondContact O-CB 3.26Å; N89-M93 WeakPolarHBondContact O-CG 3.49Å; N89-M93 PolarHBondContact O-N 3.06Å; N89-M111 HydrophobicContact CB-CE 3.4Å; N89-M111 VanDerWaalsContact CB-CE 3.4Å; N89-M111 HydrophobicContact CB-SD 3.57Å; N89-M111 VanDerWaalsContact CB-SD 3.57Å; N89-M111 VanDerWaalsContact ND2-CE 3.27Å; N89-M111 WeakPolarHBondContact ND2-CE 3.49Å; N89-M111 PolarHBondContact ND2-SD 3.37Å |
| 90 | L | 75.2 | Confident | 72.9 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.1 | -84.7 | 165.8 | 0 | 0 | 0 | 112.4 | I86 P87 M93 Y94 L152 | I86-L90 HydrophobicContact CG2-CD1 3.7Å; I86-L90 HydrophobicContact CG2-CG 4.4Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 2.91Å; P87-L90 PolarHBondContact O-N 3.32Å; L90-M93 WeakPolarHBondContact O-CB 3.39Å; L90-M93 PolarHBondContact O-N 3.41Å; L90-Y94 WeakPolarHBondContact O-CB 3.33Å; L90-Y94 PolarHBondContact O-N 3.22Å; L90-L152 HydrophobicContact CD2-CD2 4.31Å |
| 91 | F | 76.9 | Confident | 72 | Confident | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.553 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 178 | -179.4 | -104.2 | 0 | 0 | 0 | 111.7 | P87 M88 M93 Y94 M95 | P87-F91 WeakPolarHBondContact O-CB 3.43Å; P87-F91 PolarHBondContact O-N 3.24Å; M88-F91 PolarHBondContact O-N 3.23Å; F91-M93 VanDerWaalsContact C-N 3.34Å; F91-M93 PolarHBondContact O-N 3.32Å; F91-Y94 WeakPolarHBondContact O-CB 3.31Å; F91-Y94 PolarHBondContact O-N 3.46Å; F91-M95 HydrophobicContact CD1-CG 4.31Å; F91-M95 HydrophobicContact CD2-CG 4.33Å; F91-M95 HydrophobicContact CE1-CG 3.89Å; F91-M95 HydrophobicContact CE2-CG 3.91Å; F91-M95 HydrophobicContact CE2-SD 4.23Å; F91-M95 HydrophobicContact CZ-CE 4.19Å; F91-M95 HydrophobicContact CZ-CG 3.68Å; F91-M95 HydrophobicContact CZ-SD 4.09Å; F91-M95 WeakPolarHBondContact O-CG 3.44Å; F91-M95 PolarHBondContact O-N 3.4Å |
| 92 | I | 71.8 | Confident | 71.1 | Confident | 61 Ų | 61 | 82 Ų | 82 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.5 | -61.3 | 163.8 | 0 | 0 | 0 | 110.4 | M88 N89 Y94 M95 S96 M107 | M88-I92 HydrophobicContact CG-CD1 4.31Å; M88-I92 WeakPolarHBondContact O-CG1 3.48Å; M88-I92 PolarHBondContact O-N 3.29Å; M88-I92 VanDerWaalsContact O-N 3.15Å; N89-I92 PolarHBondContact O-N 3.28Å; I92-Y94 VanDerWaalsContact C-N 3.27Å; I92-Y94 PolarHBondContact O-N 2.99Å; I92-M95 PolarHBondContact O-N 2.91Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.32Å; I92-M107 HydrophobicContact CB-CE 3.85Å; I92-M107 HydrophobicContact CD1-CE 3.51Å; I92-M107 HydrophobicContact CD1-SD 4.45Å; I92-M107 HydrophobicContact CG1-CE 4.27Å; I92-M107 HydrophobicContact CG2-CE 3.54Å; I92-M107 HydrophobicContact CG2-SD 3.71Å |
| 93 | M | 69.8 | Low | 70.4 | Confident | 24 Ų | 24 | 89.2 Ų | 89.2 | 12% | 0.118 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 174.2 | -77 | -174.9 | -178.3 | 0 | 0 | 113.4 | N89 L90 F91 M111 K156 | N89-M93 WeakPolarHBondContact O-CB 3.26Å; N89-M93 WeakPolarHBondContact O-CG 3.49Å; N89-M93 PolarHBondContact O-N 3.06Å; L90-M93 WeakPolarHBondContact O-CB 3.39Å; L90-M93 PolarHBondContact O-N 3.41Å; F91-M93 VanDerWaalsContact C-N 3.34Å; F91-M93 PolarHBondContact O-N 3.32Å; M93-M111 HydrophobicContact CE-CE 3.91Å; M93-M111 HydrophobicContact CE-SD 4.08Å; M93-K156 HydrophobicContact CB-CD 4.16Å; M93-K156 HydrophobicContact CE-CB 3.16Å; M93-K156 HydrophobicContact CE-CD 4.35Å; M93-K156 HydrophobicContact CE-CG 3.57Å; M93-K156 HydrophobicContact CG-CB 4.4Å; M93-K156 HydrophobicContact CG-CD 3.79Å; M93-K156 HydrophobicContact CG-CG 3.85Å; M93-K156 PolarHBondContact O-NZ 3.16Å; M93-K156 VanDerWaalsContact O-NZ 3.15Å; M93-K156 HydrophobicContact SD-CB 3.57Å; M93-K156 VanDerWaalsContact SD-CB 3.57Å; M93-K156 HydrophobicContact SD-CD 3.76Å; M93-K156 HydrophobicContact SD-CG 3.68Å |
| 94 | Y | 74.8 | Confident | 69.7 | Low | 192 Ų | 192 | 86.2 Ų | 86.2 | 75% | 0.753 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71.7 | -44.8 | 177.1 | 176.8 | -101.6 | 0 | 0 | 0 | 111.4 | L90 F91 I92 | L90-Y94 WeakPolarHBondContact O-CB 3.33Å; L90-Y94 PolarHBondContact O-N 3.22Å; F91-Y94 WeakPolarHBondContact O-CB 3.31Å; F91-Y94 PolarHBondContact O-N 3.46Å; I92-Y94 VanDerWaalsContact C-N 3.27Å; I92-Y94 PolarHBondContact O-N 2.99Å |
| 95 | M | 69.3 | Low | 69.2 | Low | 129 Ų | 129 | 81.9 Ų | 81.9 | 64% | 0.635 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -77 | -31.2 | -177.8 | -65.4 | -71 | -81.3 | 0 | 0 | 113.4 | F91 I92 G97 | F91-M95 HydrophobicContact CD1-CG 4.31Å; F91-M95 HydrophobicContact CD2-CG 4.33Å; F91-M95 HydrophobicContact CE1-CG 3.89Å; F91-M95 HydrophobicContact CE2-CG 3.91Å; F91-M95 HydrophobicContact CE2-SD 4.23Å; F91-M95 HydrophobicContact CZ-CE 4.19Å; F91-M95 HydrophobicContact CZ-CG 3.68Å; F91-M95 HydrophobicContact CZ-SD 4.09Å; F91-M95 WeakPolarHBondContact O-CG 3.44Å; F91-M95 PolarHBondContact O-N 3.4Å; I92-M95 PolarHBondContact O-N 2.91Å; M95-G97 VanDerWaalsContact C-N 3.28Å; M95-G97 PolarHBondContact O-N 3.45Å |
| 96 | S | 59.8 | Low | 68.9 | Low | 37 Ų | 37 | 83.3 Ų | 83.3 | 26% | 0.259 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.9 | -176.4 | 178.2 | 0 | 0 | 0 | 0 | 114.2 | I92 P104 | I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.32Å; S96-P104 WeakPolarHBondContact OG-CG 3.4Å |
| 97 | G | 61.7 | Low | 68.6 | Low | 33 Ų | 33 | 85 Ų | 85 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -163 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M95 K156 | M95-G97 VanDerWaalsContact C-N 3.28Å; M95-G97 PolarHBondContact O-N 3.45Å; G97-K156 PolarHBondContact O-NZ 3.15Å |
| 98 | N | 60 | Low | 68 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 15.5 | -179.7 | -119.6 | 43.2 | 0 | 0 | 0 | 112.8 | I100 S159 | N98-I100 PolarHBondContact O-N 3.03Å; N98-S159 PolarHBondContact ND2-O 3.25Å; N98-S159 PolarHBondContact OD1-OG 3.25Å |
| 99 | T | 58 | Low | 67.7 | Low | 89 Ų | 89 | 79.5 Ų | 79.5 | 55% | 0.546 | 41% | 0.411 | S | S | . | . | trans | -76 | 121.8 | -179.5 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | S101 | T99-S101 VanDerWaalsContact C-N 3.35Å; T99-S101 PolarHBondContact O-N 3.29Å | ||
| 100 | I | 57.3 | Low | 67.5 | Low | 123 Ų | 123 | 84.5 Ų | 84.5 | 63% | 0.631 | 44% | 0.435 | S | S | * | . | trans | -63.2 | 95.3 | 172.4 | -66.2 | 165.6 | 0 | 0 | 0 | 107.8 | N98 I105 | N98-I100 PolarHBondContact O-N 3.03Å; I100-I105 HydrophobicContact CG2-CD1 4.27Å | ||
| 101 | S | 61.9 | Low | 67.4 | Low | 53 Ų | 53 | 81.5 Ų | 81.5 | 37% | 0.371 | 42% | 0.419 | S | S | . | . | trans | -121 | 137.2 | 173 | -72.4 | 0 | 0 | 0 | 0 | 107.8 | T99 F103 P104 I105 | T99-S101 VanDerWaalsContact C-N 3.35Å; T99-S101 PolarHBondContact O-N 3.29Å; S101-F103 PolarHBondContact O-N 3.04Å; S101-F103 VanDerWaalsContact O-N 3.09Å; S101-P104 WeakPolarHBondContact O-CD 3.35Å; S101-I105 WeakPolarHBondContact O-CD1 3.31Å; S101-I105 VanDerWaalsContact O-CG1 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.5Å; S101-I105 PolarHBondContact O-N 3.3Å | ||
| 102 | I | 63.9 | Low | 67.1 | Low | 137 Ų | 137 | 76.4 Ų | 76.4 | 70% | 0.703 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -52.8 | -33.1 | 179.4 | -99.3 | 72.5 | 0 | 0 | 0 | 112.5 | I105 M106 | I102-I105 PolarHBondContact O-N 2.86Å; I102-M106 PolarHBondContact O-N 3.34Å |
| 103 | F | 64.4 | Low | 67.5 | Low | 172 Ų | 172 | 81 Ų | 81 | 75% | 0.754 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.8 | -51.3 | -174.5 | -178.9 | -98.9 | 0 | 0 | 0 | 113.6 | S101 I105 M106 M107 | S101-F103 PolarHBondContact O-N 3.04Å; S101-F103 VanDerWaalsContact O-N 3.09Å; F103-I105 VanDerWaalsContact C-N 3.27Å; F103-I105 PolarHBondContact O-N 2.89Å; F103-M106 PolarHBondContact O-N 3.45Å; F103-M107 PolarHBondContact O-N 3.46Å |
| 104 | P | 66.1 | Low | 68 | Low | 13 Ų | 13 | 87.5 Ų | 87.5 | 8% | 0.084 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 169.4 | -27.4 | 30.5 | 0 | 0 | 0 | 114.6 | S96 S101 M107 V108 M160 | S96-P104 WeakPolarHBondContact OG-CG 3.4Å; S101-P104 WeakPolarHBondContact O-CD 3.35Å; P104-M107 PolarHBondContact O-N 2.88Å; P104-V108 WeakPolarHBondContact O-CB 3.48Å; P104-V108 VanDerWaalsContact O-CG2 3.24Å; P104-V108 WeakPolarHBondContact O-CG2 3.39Å; P104-V108 PolarHBondContact O-N 3.12Å; P104-M160 HydrophobicContact CB-CE 3.71Å; P104-M160 HydrophobicContact CB-SD 4.1Å; P104-M160 HydrophobicContact CG-CE 4.48Å |
| 105 | I | 69.1 | Low | 68.2 | Low | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | -177.9 | -63.1 | 165.4 | 0 | 0 | 0 | 110.6 | I100 S101 I102 F103 M107 V108 C109 L162 | I100-I105 HydrophobicContact CG2-CD1 4.27Å; S101-I105 WeakPolarHBondContact O-CD1 3.31Å; S101-I105 VanDerWaalsContact O-CG1 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.5Å; S101-I105 PolarHBondContact O-N 3.3Å; I102-I105 PolarHBondContact O-N 2.86Å; F103-I105 VanDerWaalsContact C-N 3.27Å; F103-I105 PolarHBondContact O-N 2.89Å; I105-M107 VanDerWaalsContact C-N 3.33Å; I105-M107 PolarHBondContact O-N 2.88Å; I105-V108 PolarHBondContact O-N 3.15Å; I105-C109 PolarHBondContact O-N 2.87Å; I105-C109 PolarHBondContact O-SG 2.81Å; I105-C109 VanDerWaalsContact O-SG 3.35Å; I105-L162 HydrophobicContact CB-CD1 4.24Å; I105-L162 HydrophobicContact CB-CD2 4.42Å; I105-L162 HydrophobicContact CD1-CD1 4.47Å; I105-L162 HydrophobicContact CD1-CD2 3.38Å; I105-L162 HydrophobicContact CD1-CG 4.47Å; I105-L162 HydrophobicContact CG1-CD1 3.65Å; I105-L162 HydrophobicContact CG1-CD2 3.54Å; I105-L162 HydrophobicContact CG1-CG 4.18Å; I105-L162 HydrophobicContact CG2-CD1 4.04Å; I105-L162 HydrophobicContact CG2-CD2 4.03Å |
| 106 | M | 71.5 | Confident | 68.8 | Low | 126 Ų | 126 | 76.4 Ų | 76.4 | 62% | 0.621 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 178.7 | -72.1 | -63.6 | -67.6 | 0 | 0 | 112.5 | I102 F103 M110 | I102-M106 PolarHBondContact O-N 3.34Å; F103-M106 PolarHBondContact O-N 3.45Å; M106-M110 PolarHBondContact O-N 3.37Å; M106-M110 VanDerWaalsContact O-N 3.15Å |
| 107 | M | 71.7 | Confident | 69.8 | Low | 58 Ų | 58 | 79.7 Ų | 79.7 | 29% | 0.286 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.8 | 170.8 | -174.8 | 164.3 | 0 | 0 | 111.7 | I92 F103 P104 I105 M110 M111 | I92-M107 HydrophobicContact CB-CE 3.85Å; I92-M107 HydrophobicContact CD1-CE 3.51Å; I92-M107 HydrophobicContact CD1-SD 4.45Å; I92-M107 HydrophobicContact CG1-CE 4.27Å; I92-M107 HydrophobicContact CG2-CE 3.54Å; I92-M107 HydrophobicContact CG2-SD 3.71Å; F103-M107 PolarHBondContact O-N 3.46Å; P104-M107 PolarHBondContact O-N 2.88Å; I105-M107 VanDerWaalsContact C-N 3.33Å; I105-M107 PolarHBondContact O-N 2.88Å; M107-M110 PolarHBondContact O-N 3.4Å; M107-M111 WeakPolarHBondContact O-CB 3.48Å; M107-M111 PolarHBondContact O-N 3.36Å |
| 108 | V | 70.3 | Confident | 70.7 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.03 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.9 | -37.9 | -178.4 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | P104 I105 M111 A112 K156 C157 | P104-V108 WeakPolarHBondContact O-CB 3.48Å; P104-V108 VanDerWaalsContact O-CG2 3.24Å; P104-V108 WeakPolarHBondContact O-CG2 3.39Å; P104-V108 PolarHBondContact O-N 3.12Å; I105-V108 PolarHBondContact O-N 3.15Å; V108-M111 CarbonylContact O-C 3.53Å; V108-M111 WeakPolarHBondContact O-CB 3.49Å; V108-M111 PolarHBondContact O-N 3.27Å; V108-A112 PolarHBondContact O-N 3.25Å; V108-K156 HydrophobicContact CG2-CG 4.4Å; V108-C157 VanDerWaalsContact CG1-SG 3.54Å |
| 109 | C | 73.1 | Confident | 71.6 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | I105 M111 A112 W113 | I105-C109 PolarHBondContact O-N 2.87Å; I105-C109 PolarHBondContact O-SG 2.81Å; I105-C109 VanDerWaalsContact O-SG 3.35Å; C109-M111 VanDerWaalsContact C-N 3.31Å; C109-M111 PolarHBondContact O-N 2.93Å; C109-A112 PolarHBondContact O-N 3.36Å; C109-W113 WeakPolarHBondContact O-CB 3.49Å; C109-W113 PolarHBondContact O-N 3.41Å |
| 110 | M | 71.8 | Confident | 72.7 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 59% | 0.591 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 173.5 | -84.8 | -99.3 | 179.9 | 0 | 0 | 111.9 | M106 M107 A112 W113 R114 | M106-M110 PolarHBondContact O-N 3.37Å; M106-M110 VanDerWaalsContact O-N 3.15Å; M107-M110 PolarHBondContact O-N 3.4Å; M110-A112 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 3.02Å; M110-W113 PolarHBondContact O-N 3.06Å; M110-R114 WeakPolarHBondContact O-CB 3.29Å; M110-R114 WeakPolarHBondContact O-CG 3.38Å; M110-R114 PolarHBondContact O-N 3.23Å |
| 111 | M | 71.6 | Confident | 73.7 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.2 | -30.8 | 176.4 | -177.6 | -169.8 | 150.3 | 0 | 0 | 112.8 | N89 M93 M107 V108 C109 P115 A153 | N89-M111 HydrophobicContact CB-CE 3.4Å; N89-M111 VanDerWaalsContact CB-CE 3.4Å; N89-M111 HydrophobicContact CB-SD 3.57Å; N89-M111 VanDerWaalsContact CB-SD 3.57Å; N89-M111 VanDerWaalsContact ND2-CE 3.27Å; N89-M111 WeakPolarHBondContact ND2-CE 3.49Å; N89-M111 PolarHBondContact ND2-SD 3.37Å; M93-M111 HydrophobicContact CE-CE 3.91Å; M93-M111 HydrophobicContact CE-SD 4.08Å; M107-M111 WeakPolarHBondContact O-CB 3.48Å; M107-M111 PolarHBondContact O-N 3.36Å; V108-M111 CarbonylContact O-C 3.53Å; V108-M111 WeakPolarHBondContact O-CB 3.49Å; V108-M111 PolarHBondContact O-N 3.27Å; C109-M111 VanDerWaalsContact C-N 3.31Å; C109-M111 PolarHBondContact O-N 2.93Å; M111-P115 WeakPolarHBondContact O-CD 3.46Å; M111-P115 VanDerWaalsContact O-CG 3.31Å; M111-P115 WeakPolarHBondContact O-CG 3.4Å; M111-A153 HydrophobicContact CE-CB 4.17Å |
| 112 | A | 72.4 | Confident | 74.2 | Confident | 20 Ų | 20 | 74 Ų | 74 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -76.6 | -37.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V108 C109 M110 P115 I116 A153 | V108-A112 PolarHBondContact O-N 3.25Å; C109-A112 PolarHBondContact O-N 3.36Å; M110-A112 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 3.02Å; A112-P115 WeakPolarHBondContact O-CD 3.48Å; A112-I116 WeakPolarHBondContact O-CD1 3.08Å; A112-I116 VanDerWaalsContact O-CG1 3.29Å; A112-I116 WeakPolarHBondContact O-CG1 3.39Å; A112-A153 HydrophobicContact CB-CB 3.72Å |
| 113 | W | 78.8 | Confident | 74.7 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.6 | -34.8 | 179.9 | -161.9 | -92.6 | 0 | 0 | 0 | 113 | C109 M110 I116 Q117 | C109-W113 WeakPolarHBondContact O-CB 3.49Å; C109-W113 PolarHBondContact O-N 3.41Å; M110-W113 PolarHBondContact O-N 3.06Å; W113-I116 PolarHBondContact O-N 3.25Å; W113-Q117 WeakPolarHBondContact O-CB 3.36Å; W113-Q117 PolarHBondContact O-N 3.42Å |
| 114 | R | 80 | Confident | 75.2 | Confident | 160 Ų | 160 | 66.3 Ų | 66.3 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59 | -52.4 | -179.7 | -75.5 | -99.1 | 173.5 | 163.6 | -4 | 113.1 | M110 I116 Q117 A118 | M110-R114 WeakPolarHBondContact O-CB 3.29Å; M110-R114 WeakPolarHBondContact O-CG 3.38Å; M110-R114 PolarHBondContact O-N 3.23Å; R114-I116 VanDerWaalsContact C-N 3.33Å; R114-I116 PolarHBondContact O-N 3.44Å; R114-Q117 PolarHBondContact O-N 3.35Å; R114-A118 VanDerWaalsContact O-CB 3.24Å; R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 2.82Å |
| 115 | P | 80 | Confident | 75.3 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 171.9 | -22.2 | 28.3 | 0 | 0 | 0 | 113 | M111 A112 A118 L119 N146 A150 | M111-P115 WeakPolarHBondContact O-CD 3.46Å; M111-P115 VanDerWaalsContact O-CG 3.31Å; M111-P115 WeakPolarHBondContact O-CG 3.4Å; A112-P115 WeakPolarHBondContact O-CD 3.48Å; P115-A118 WeakPolarHBondContact O-CB 3.37Å; P115-A118 PolarHBondContact O-N 3.14Å; P115-L119 WeakPolarHBondContact O-CB 3.42Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.32Å; P115-L119 PolarHBondContact O-N 3.36Å; P115-N146 HydrophobicContact CB-CB 4.33Å; P115-N146 WeakPolarHBondContact CB-O 3.01Å; P115-A150 HydrophobicContact CB-CB 4.13Å |
| 116 | I | 81.6 | Confident | 75.4 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 179.1 | -64.9 | 168.1 | 0 | 0 | 0 | 110.4 | A112 W113 R114 A118 L119 M120 | A112-I116 WeakPolarHBondContact O-CD1 3.08Å; A112-I116 VanDerWaalsContact O-CG1 3.29Å; A112-I116 WeakPolarHBondContact O-CG1 3.39Å; W113-I116 PolarHBondContact O-N 3.25Å; R114-I116 VanDerWaalsContact C-N 3.33Å; R114-I116 PolarHBondContact O-N 3.44Å; I116-A118 VanDerWaalsContact C-N 3.32Å; I116-A118 PolarHBondContact O-N 3.32Å; I116-L119 PolarHBondContact O-N 2.94Å; I116-M120 HydrophobicContact CG2-CE 4.22Å; I116-M120 WeakPolarHBondContact O-CG 3.44Å; I116-M120 PolarHBondContact O-N 2.95Å |
| 117 | Q | 81.3 | Confident | 75.3 | Confident | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 174.9 | -171.9 | 177.1 | 13.9 | 0 | 0 | 111.5 | W113 R114 L119 M120 S121 | W113-Q117 WeakPolarHBondContact O-CB 3.36Å; W113-Q117 PolarHBondContact O-N 3.42Å; R114-Q117 PolarHBondContact O-N 3.35Å; Q117-L119 VanDerWaalsContact C-N 3.32Å; Q117-L119 PolarHBondContact O-N 3.5Å; Q117-M120 PolarHBondContact O-N 3.41Å; Q117-S121 PolarHBondContact O-N 3.15Å; Q117-S121 PolarHBondContact O-OG 3.44Å |
| 118 | A | 80.1 | Confident | 75 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.4 | -32.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | R114 P115 I116 S121 M122 Y142 N146 | R114-A118 VanDerWaalsContact O-CB 3.24Å; R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 2.82Å; P115-A118 WeakPolarHBondContact O-CB 3.37Å; P115-A118 PolarHBondContact O-N 3.14Å; I116-A118 VanDerWaalsContact C-N 3.32Å; I116-A118 PolarHBondContact O-N 3.32Å; A118-S121 PolarHBondContact O-OG 2.87Å; A118-M122 PolarHBondContact O-N 3.37Å; A118-Y142 WeakPolarHBondContact CB-OH 3.42Å; A118-Y142 PolarHBondContact O-OH 3.44Å; A118-N146 WeakPolarHBondContact CB-OD1 3.44Å |
| 119 | L | 79.1 | Confident | 74.7 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.7 | -39.1 | 171.5 | -70.8 | 170.3 | 0 | 0 | 0 | 111.8 | P115 I116 Q117 S121 M122 L143 N146 | P115-L119 WeakPolarHBondContact O-CB 3.42Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.32Å; P115-L119 PolarHBondContact O-N 3.36Å; I116-L119 PolarHBondContact O-N 2.94Å; Q117-L119 VanDerWaalsContact C-N 3.32Å; Q117-L119 PolarHBondContact O-N 3.5Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.19Å; L119-M122 HydrophobicContact CD2-SD 4.39Å; L119-M122 WeakPolarHBondContact O-CB 3.23Å; L119-M122 PolarHBondContact O-N 2.93Å; L119-M122 VanDerWaalsContact O-N 3.16Å; L119-L143 HydrophobicContact CD2-CD1 3.68Å; L119-N146 HydrophobicContact CD2-CB 3.94Å; L119-N146 HydrophobicContact CG-CB 4.03Å |
| 120 | M | 80.8 | Confident | 74.1 | Confident | 128 Ų | 128 | 76.5 Ų | 76.5 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.4 | -32.6 | 175 | -72.5 | -164.8 | -75.3 | 0 | 0 | 112.6 | I116 Q117 M122 | I116-M120 HydrophobicContact CG2-CE 4.22Å; I116-M120 WeakPolarHBondContact O-CG 3.44Å; I116-M120 PolarHBondContact O-N 2.95Å; Q117-M120 PolarHBondContact O-N 3.41Å; M120-M122 VanDerWaalsContact C-N 3.3Å |
| 121 | S | 79.2 | Confident | 73.4 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 38% | 0.378 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.7 | 173.7 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | Q117 A118 L119 S123 A124 T125 | Q117-S121 PolarHBondContact O-N 3.15Å; Q117-S121 PolarHBondContact O-OG 3.44Å; A118-S121 PolarHBondContact O-OG 2.87Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.19Å; S121-S123 PolarHBondContact O-N 3.37Å; S121-A124 WeakPolarHBondContact O-CB 3.46Å; S121-A124 PolarHBondContact O-N 3.45Å; S121-T125 PolarHBondContact O-N 3.39Å; S121-T125 PolarHBondContact O-OG1 2.86Å |
| 122 | M | 72.1 | Confident | 72.9 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.6 | -31.8 | -172.2 | -169.1 | -177.5 | -169.1 | 0 | 0 | 112.8 | A118 L119 M120 A124 T125 F126 G139 Y142 L143 | A118-M122 PolarHBondContact O-N 3.37Å; L119-M122 HydrophobicContact CD2-SD 4.39Å; L119-M122 WeakPolarHBondContact O-CB 3.23Å; L119-M122 PolarHBondContact O-N 2.93Å; L119-M122 VanDerWaalsContact O-N 3.16Å; M120-M122 VanDerWaalsContact C-N 3.3Å; M122-A124 VanDerWaalsContact C-N 3.29Å; M122-A124 PolarHBondContact O-N 2.89Å; M122-T125 WeakPolarHBondContact O-CB 3.06Å; M122-T125 PolarHBondContact O-N 3.34Å; M122-T125 VanDerWaalsContact O-N 3.14Å; M122-F126 HydrophobicContact CE-CD2 4.41Å; M122-F126 HydrophobicContact CE-CE1 4.31Å; M122-F126 HydrophobicContact CE-CE2 3.33Å; M122-F126 HydrophobicContact CE-CZ 3.26Å; M122-F126 HydrophobicContact CG-CD2 3.69Å; M122-F126 HydrophobicContact CG-CE2 3.4Å; M122-F126 VanDerWaalsContact CG-CE2 3.4Å; M122-F126 HydrophobicContact CG-CZ 4.25Å; M122-F126 WeakPolarHBondContact O-CD2 3.19Å; M122-F126 PolarHBondContact O-N 3.45Å; M122-F126 HydrophobicContact SD-CD2 4.39Å; M122-F126 HydrophobicContact SD-CE2 3.52Å; M122-F126 VanDerWaalsContact SD-CE2 3.52Å; M122-F126 HydrophobicContact SD-CZ 4.11Å; M122-G139 WeakPolarHBondContact CE-O 3.31Å; M122-Y142 HydrophobicContact CB-CE1 4.42Å; M122-Y142 HydrophobicContact CE-CD1 3.99Å; M122-Y142 HydrophobicContact CG-CD1 4.14Å; M122-Y142 HydrophobicContact CG-CE1 3.98Å; M122-L143 HydrophobicContact CE-CB 3.7Å; M122-L143 HydrophobicContact CE-CD1 3.86Å; M122-L143 HydrophobicContact CE-CG 4.32Å; M122-L143 HydrophobicContact SD-CD1 3.92Å |
| 123 | S | 73.9 | Confident | 72.3 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 59% | 0.587 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.6 | -29.2 | 175.2 | 36.9 | 0 | 0 | 0 | 0 | 113.3 | S121 K127 | S121-S123 PolarHBondContact O-N 3.37Å; S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 3.07Å |
| 124 | A | 74.4 | Confident | 71.6 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.8 | -36.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S121 M122 K127 L128 | S121-A124 WeakPolarHBondContact O-CB 3.46Å; S121-A124 PolarHBondContact O-N 3.45Å; M122-A124 VanDerWaalsContact C-N 3.29Å; M122-A124 PolarHBondContact O-N 2.89Å; A124-K127 PolarHBondContact O-N 3.11Å; A124-L128 PolarHBondContact O-N 2.85Å |
| 125 | T | 69.1 | Low | 71.2 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 16% | 0.16 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 175.4 | -45.9 | 0 | 0 | 0 | 0 | 111.4 | V78 S121 M122 K127 L128 L129 | V78-T125 HydrophobicContact CG1-CG2 4.03Å; S121-T125 PolarHBondContact O-N 3.39Å; S121-T125 PolarHBondContact O-OG1 2.86Å; M122-T125 WeakPolarHBondContact O-CB 3.06Å; M122-T125 PolarHBondContact O-N 3.34Å; M122-T125 VanDerWaalsContact O-N 3.14Å; T125-K127 VanDerWaalsContact C-N 3.35Å; T125-K127 PolarHBondContact O-N 3.04Å; T125-L128 WeakPolarHBondContact O-CA 3.27Å; T125-L128 WeakPolarHBondContact O-CB 3.5Å; T125-L128 PolarHBondContact O-N 3.27Å; T125-L129 HydrophobicContact CG2-CD1 4.03Å; T125-L129 VanDerWaalsContact O-CD1 3.26Å; T125-L129 WeakPolarHBondContact O-CD1 3.33Å; T125-L129 PolarHBondContact O-N 3.47Å |
| 126 | F | 70.4 | Confident | 71 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 37% | 0.373 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 174.7 | -82.6 | -60.1 | 0 | 0 | 0 | 112.9 | M122 L128 L129 E130 | M122-F126 HydrophobicContact CE-CD2 4.41Å; M122-F126 HydrophobicContact CE-CE1 4.31Å; M122-F126 HydrophobicContact CE-CE2 3.33Å; M122-F126 HydrophobicContact CE-CZ 3.26Å; M122-F126 HydrophobicContact CG-CD2 3.69Å; M122-F126 HydrophobicContact CG-CE2 3.4Å; M122-F126 VanDerWaalsContact CG-CE2 3.4Å; M122-F126 HydrophobicContact CG-CZ 4.25Å; M122-F126 WeakPolarHBondContact O-CD2 3.19Å; M122-F126 PolarHBondContact O-N 3.45Å; M122-F126 HydrophobicContact SD-CD2 4.39Å; M122-F126 HydrophobicContact SD-CE2 3.52Å; M122-F126 VanDerWaalsContact SD-CE2 3.52Å; M122-F126 HydrophobicContact SD-CZ 4.11Å; F126-L128 PolarHBondContact O-N 3.37Å; F126-L129 CarbonylContact O-C 3.58Å; F126-L129 PolarHBondContact O-N 2.89Å; F126-L129 VanDerWaalsContact O-N 3.12Å; F126-E130 PolarHBondContact O-N 3.29Å |
| 127 | K | 69.9 | Low | 70.9 | Confident | 159 Ų | 159 | 82.5 Ų | 82.5 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.1 | -32.9 | 172.7 | -74.7 | -180 | 176.6 | -175.8 | 0 | 112.8 | S123 A124 T125 L129 | S123-K127 WeakPolarHBondContact O-CG 3.33Å; S123-K127 PolarHBondContact O-N 3.07Å; A124-K127 PolarHBondContact O-N 3.11Å; T125-K127 VanDerWaalsContact C-N 3.35Å; T125-K127 PolarHBondContact O-N 3.04Å; K127-L129 VanDerWaalsContact C-N 3.35Å |
| 128 | L | 66.3 | Low | 70.7 | Confident | 104 Ų | 104 | 77.5 Ų | 77.5 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.9 | -28.9 | 176.6 | -152.9 | 147 | 0 | 0 | 0 | 111.6 | A124 T125 F126 | A124-L128 PolarHBondContact O-N 2.85Å; T125-L128 WeakPolarHBondContact O-CA 3.27Å; T125-L128 WeakPolarHBondContact O-CB 3.5Å; T125-L128 PolarHBondContact O-N 3.27Å; F126-L128 PolarHBondContact O-N 3.37Å |
| 129 | L | 62.8 | Low | 70.7 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.016 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -82.4 | -15.4 | 176.3 | -94.1 | 69 | 0 | 0 | 0 | 114.1 | C75 T125 F126 K127 S131 S132 Q138 | C75-L129 HydrophobicContact CB-CG 4.33Å; T125-L129 HydrophobicContact CG2-CD1 4.03Å; T125-L129 VanDerWaalsContact O-CD1 3.26Å; T125-L129 WeakPolarHBondContact O-CD1 3.33Å; T125-L129 PolarHBondContact O-N 3.47Å; F126-L129 CarbonylContact O-C 3.58Å; F126-L129 PolarHBondContact O-N 2.89Å; F126-L129 VanDerWaalsContact O-N 3.12Å; K127-L129 VanDerWaalsContact C-N 3.35Å; L129-S131 PolarHBondContact O-N 3.22Å; L129-S132 PolarHBondContact O-N 3.25Å; L129-Q138 HydrophobicContact CD2-CB 3.49Å; L129-Q138 VanDerWaalsContact CD2-CB 3.49Å; L129-Q138 HydrophobicContact CG-CB 4.42Å |
| 130 | E | 60.4 | Low | 70.9 | Confident | 136 Ų | 136 | 77.7 Ų | 77.7 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.3 | -178.1 | -163.7 | 167.3 | -178 | 0 | 0 | 113.1 | F126 S132 | F126-E130 PolarHBondContact O-N 3.29Å; E130-S132 VanDerWaalsContact C-N 3.28Å; E130-S132 PolarHBondContact O-N 3.47Å |
| 131 | S | 56.6 | Low | 71.1 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 63% | 0.629 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -7 | 173.2 | -170.3 | 0 | 0 | 0 | 0 | 114.4 | L129 | L129-S131 PolarHBondContact O-N 3.22Š|
| 132 | S | 61.5 | Low | 71.3 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -110.5 | 137.4 | -176.9 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | L129 E130 Q134 Q135 | L129-S132 PolarHBondContact O-N 3.25Å; E130-S132 VanDerWaalsContact C-N 3.28Å; E130-S132 PolarHBondContact O-N 3.47Å; S132-Q134 PolarHBondContact O-N 2.9Å; S132-Q134 VanDerWaalsContact O-N 3.14Å; S132-Q135 PolarHBondContact O-N 3.16Å |
| 133 | S | 59.9 | Low | 71.9 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 85% | 0.853 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.1 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 134 | Q | 65.2 | Low | 72.5 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 29.2 | -178.2 | -64.4 | -167.6 | -28.4 | 0 | 0 | 113.4 | S132 W136 L137 Q138 | S132-Q134 PolarHBondContact O-N 2.9Å; S132-Q134 VanDerWaalsContact O-N 3.14Å; Q134-W136 PolarHBondContact O-N 3.39Å; Q134-W136 VanDerWaalsContact O-N 3.12Å; Q134-L137 PolarHBondContact O-N 3.5Å; Q134-L137 VanDerWaalsContact O-N 3.09Å; Q134-Q138 PolarHBondContact O-N 3.46Å; Q134-Q138 VanDerWaalsContact O-N 3.1Å |
| 135 | Q | 70.8 | Confident | 73 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -49 | -38.5 | -179.9 | 55.2 | 178.6 | -27.9 | 0 | 0 | 114.5 | S132 G139 | S132-Q135 PolarHBondContact O-N 3.16Å; Q135-G139 PolarHBondContact O-N 3Å |
| 136 | W | 75.4 | Confident | 73.9 | Confident | 202 Ų | 202 | 70.6 Ų | 70.6 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.3 | -45.5 | 179.9 | 178.3 | -97.4 | 0 | 0 | 0 | 112.3 | Q134 L140 | Q134-W136 PolarHBondContact O-N 3.39Å; Q134-W136 VanDerWaalsContact O-N 3.12Å; W136-L140 VanDerWaalsContact O-CB 3.29Å; W136-L140 WeakPolarHBondContact O-CB 3.38Å; W136-L140 PolarHBondContact O-N 3.21Å |
| 137 | L | 79.5 | Confident | 74.6 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | -178 | -131.8 | 102.9 | 0 | 0 | 0 | 110.8 | W76 Q134 L140 V141 | W76-L137 HydrophobicContact CH2-CD2 4.24Å; W76-L137 HydrophobicContact CZ2-CD2 4.5Å; Q134-L137 PolarHBondContact O-N 3.5Å; Q134-L137 VanDerWaalsContact O-N 3.09Å; L137-L140 PolarHBondContact O-N 2.87Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.28Å |
| 138 | Q | 78.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 178.6 | -70.1 | 171.9 | -9.5 | 0 | 0 | 111.6 | C75 W76 A79 L129 Q134 V141 Y142 | C75-Q138 VanDerWaalsContact CB-OE1 3.23Å; W76-Q138 VanDerWaalsContact CD1-NE2 3.27Å; W76-Q138 HydrophobicContact CD2-CG 4.29Å; W76-Q138 HydrophobicContact CZ2-CG 4.47Å; A79-Q138 HydrophobicContact CB-CB 4.04Å; A79-Q138 HydrophobicContact CB-CG 4.48Å; A79-Q138 WeakPolarHBondContact CB-O 3.32Å; L129-Q138 HydrophobicContact CD2-CB 3.49Å; L129-Q138 VanDerWaalsContact CD2-CB 3.49Å; L129-Q138 HydrophobicContact CG-CB 4.42Å; Q134-Q138 PolarHBondContact O-N 3.46Å; Q134-Q138 VanDerWaalsContact O-N 3.1Å; Q138-V141 PolarHBondContact O-N 2.86Å; Q138-Y142 WeakPolarHBondContact O-CB 2.79Å; Q138-Y142 PolarHBondContact O-N 3.19Å |
| 139 | G | 79.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M122 Q135 Y142 L143 | M122-G139 WeakPolarHBondContact CE-O 3.31Å; Q135-G139 PolarHBondContact O-N 3Å; G139-Y142 PolarHBondContact O-N 3.16Å; G139-L143 WeakPolarHBondContact O-CB 3.39Å; G139-L143 PolarHBondContact O-N 2.95Å |
| 140 | L | 83.6 | Confident | 77 | Confident | 74 Ų | 74 | 64 Ų | 64 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177 | -173.9 | 146.7 | 0 | 0 | 0 | 111.7 | W136 L137 L143 I144 | W136-L140 VanDerWaalsContact O-CB 3.29Å; W136-L140 WeakPolarHBondContact O-CB 3.38Å; W136-L140 PolarHBondContact O-N 3.21Å; L137-L140 PolarHBondContact O-N 2.87Å; L140-L143 PolarHBondContact O-N 3.22Å; L140-I144 HydrophobicContact CD2-CD1 3.42Å; L140-I144 VanDerWaalsContact CD2-CD1 3.42Å; L140-I144 HydrophobicContact CD2-CG1 4.3Å; L140-I144 HydrophobicContact CG-CD1 4.2Å; L140-I144 WeakPolarHBondContact O-CB 3.21Å; L140-I144 VanDerWaalsContact O-CG1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.47Å; L140-I144 PolarHBondContact O-N 3.37Å |
| 141 | V | 84.7 | Confident | 78.1 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L80 L137 Q138 I144 G145 | L80-V141 HydrophobicContact CD2-CG1 4.03Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.28Å; Q138-V141 PolarHBondContact O-N 2.86Å; V141-I144 PolarHBondContact O-N 2.94Å; V141-G145 PolarHBondContact O-N 2.84Å |
| 142 | Y | 83.4 | Confident | 79.2 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.4 | -179.9 | -97.8 | 0 | 0 | 0 | 111.9 | P82 A118 M122 Q138 G139 G145 N146 | P82-Y142 HydrophobicContact CG-CD2 3.57Å; P82-Y142 HydrophobicContact CG-CE2 3.61Å; A118-Y142 WeakPolarHBondContact CB-OH 3.42Å; A118-Y142 PolarHBondContact O-OH 3.44Å; M122-Y142 HydrophobicContact CB-CE1 4.42Å; M122-Y142 HydrophobicContact CE-CD1 3.99Å; M122-Y142 HydrophobicContact CG-CD1 4.14Å; M122-Y142 HydrophobicContact CG-CE1 3.98Å; Q138-Y142 WeakPolarHBondContact O-CB 2.79Å; Q138-Y142 PolarHBondContact O-N 3.19Å; G139-Y142 PolarHBondContact O-N 3.16Å; Y142-G145 PolarHBondContact O-N 3.37Å; Y142-N146 WeakPolarHBondContact CD1-ND2 3.24Å; Y142-N146 VanDerWaalsContact CE1-ND2 3.29Å; Y142-N146 WeakPolarHBondContact CE1-ND2 3.38Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.48Å; Y142-N146 PolarHBondContact O-N 3.31Å; Y142-N146 PolarHBondContact O-ND2 3.4Å |
| 143 | L | 84.7 | Confident | 79.9 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.8 | -52 | 176.5 | -175.2 | 70.3 | 0 | 0 | 0 | 110.9 | L119 M122 G139 L140 G145 N146 L147 | L119-L143 HydrophobicContact CD2-CD1 3.68Å; M122-L143 HydrophobicContact CE-CB 3.7Å; M122-L143 HydrophobicContact CE-CD1 3.86Å; M122-L143 HydrophobicContact CE-CG 4.32Å; M122-L143 HydrophobicContact SD-CD1 3.92Å; G139-L143 WeakPolarHBondContact O-CB 3.39Å; G139-L143 PolarHBondContact O-N 2.95Å; L140-L143 PolarHBondContact O-N 3.22Å; L143-G145 VanDerWaalsContact C-N 3.34Å; L143-G145 PolarHBondContact O-N 2.94Å; L143-N146 PolarHBondContact O-N 3.24Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 PolarHBondContact O-N 3.2Å |
| 144 | I | 86.5 | Confident | 80.7 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | -179.7 | -71.1 | 177.1 | 0 | 0 | 0 | 110.8 | L140 V141 L147 L148 | L140-I144 HydrophobicContact CD2-CD1 3.42Å; L140-I144 VanDerWaalsContact CD2-CD1 3.42Å; L140-I144 HydrophobicContact CD2-CG1 4.3Å; L140-I144 HydrophobicContact CG-CD1 4.2Å; L140-I144 WeakPolarHBondContact O-CB 3.21Å; L140-I144 VanDerWaalsContact O-CG1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.47Å; L140-I144 PolarHBondContact O-N 3.37Å; V141-I144 PolarHBondContact O-N 2.94Å; I144-L147 PolarHBondContact O-N 3.2Å; I144-L148 HydrophobicContact CG2-CD1 3.66Å; I144-L148 HydrophobicContact CG2-CG 4.49Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 PolarHBondContact O-N 3.02Å |
| 145 | G | 85.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V141 Y142 L143 G149 | V141-G145 PolarHBondContact O-N 2.84Å; Y142-G145 PolarHBondContact O-N 3.37Å; L143-G145 VanDerWaalsContact C-N 3.34Å; L143-G145 PolarHBondContact O-N 2.94Å; G145-G149 PolarHBondContact O-N 3.47Å |
| 146 | N | 86.3 | Confident | 81.4 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 175.3 | -76.5 | -73.6 | 0 | 0 | 0 | 112.1 | P82 P115 A118 L119 Y142 L143 G149 A150 | P82-N146 WeakPolarHBondContact CG-ND2 3.39Å; P115-N146 HydrophobicContact CB-CB 4.33Å; P115-N146 WeakPolarHBondContact CB-O 3.01Å; A118-N146 WeakPolarHBondContact CB-OD1 3.44Å; L119-N146 HydrophobicContact CD2-CB 3.94Å; L119-N146 HydrophobicContact CG-CB 4.03Å; Y142-N146 WeakPolarHBondContact CD1-ND2 3.24Å; Y142-N146 VanDerWaalsContact CE1-ND2 3.29Å; Y142-N146 WeakPolarHBondContact CE1-ND2 3.38Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.48Å; Y142-N146 PolarHBondContact O-N 3.31Å; Y142-N146 PolarHBondContact O-ND2 3.4Å; L143-N146 PolarHBondContact O-N 3.24Å; N146-G149 PolarHBondContact O-N 2.94Å; N146-A150 WeakPolarHBondContact O-CB 3.42Å; N146-A150 PolarHBondContact O-N 3.24Å |
| 147 | L | 86 | Confident | 81.1 | Confident | 109 Ų | 109 | 47.5 Ų | 47.5 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 178.1 | -154.6 | 102.2 | 0 | 0 | 0 | 111.6 | L143 I144 A150 A151 | L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 PolarHBondContact O-N 3.2Å; I144-L147 PolarHBondContact O-N 3.2Å; L147-A150 PolarHBondContact O-N 2.81Å; L147-A151 WeakPolarHBondContact O-CB 3.41Å; L147-A151 PolarHBondContact O-N 3.45Å |
| 148 | L | 85.3 | Confident | 80.6 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 173.2 | -86.4 | 158.3 | 0 | 0 | 0 | 111.6 | I86 I144 A150 A151 L152 | I86-L148 HydrophobicContact CD1-CB 3.86Å; I144-L148 HydrophobicContact CG2-CD1 3.66Å; I144-L148 HydrophobicContact CG2-CG 4.49Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 PolarHBondContact O-N 3.02Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.39Å; L148-A151 PolarHBondContact O-N 2.88Å; L148-L152 WeakPolarHBondContact O-CB 3.35Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.29Å; L148-L152 PolarHBondContact O-N 2.9Å |
| 149 | G | 82.1 | Confident | 80 | Confident | 8 Ų | 8 | 51 Ų | 51 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G145 N146 A153 | G145-G149 PolarHBondContact O-N 3.47Å; N146-G149 PolarHBondContact O-N 2.94Å; G149-A153 WeakPolarHBondContact O-CB 3.47Å; G149-A153 PolarHBondContact O-N 3.36Å; G149-A153 VanDerWaalsContact O-N 3.11Å |
| 150 | A | 82.3 | Confident | 79.1 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | P115 N146 L147 L148 L152 A153 I154 | P115-A150 HydrophobicContact CB-CB 4.13Å; N146-A150 WeakPolarHBondContact O-CB 3.42Å; N146-A150 PolarHBondContact O-N 3.24Å; L147-A150 PolarHBondContact O-N 2.81Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.39Å; A150-L152 PolarHBondContact O-N 3.35Å; A150-A153 PolarHBondContact O-N 3.45Å; A150-I154 WeakPolarHBondContact O-CG1 3.47Å; A150-I154 PolarHBondContact O-N 2.98Å |
| 151 | A | 83 | Confident | 78.1 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L147 L148 I154 Y155 | L147-A151 WeakPolarHBondContact O-CB 3.41Å; L147-A151 PolarHBondContact O-N 3.45Å; L148-A151 PolarHBondContact O-N 2.88Å; A151-I154 PolarHBondContact O-N 2.96Å; A151-Y155 WeakPolarHBondContact O-CB 3.41Å; A151-Y155 PolarHBondContact O-N 3.31Å |
| 152 | L | 79.4 | Confident | 77 | Confident | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.3 | -74.1 | 170 | 0 | 0 | 0 | 112.2 | I86 L90 L148 A150 Y155 K156 | I86-L152 HydrophobicContact CB-CD1 4.49Å; I86-L152 HydrophobicContact CG1-CD1 4.4Å; I86-L152 HydrophobicContact CG2-CD1 3.51Å; L90-L152 HydrophobicContact CD2-CD2 4.31Å; L148-L152 WeakPolarHBondContact O-CB 3.35Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.29Å; L148-L152 PolarHBondContact O-N 2.9Å; A150-L152 PolarHBondContact O-N 3.35Å; L152-Y155 PolarHBondContact O-N 3.29Å; L152-K156 PolarHBondContact O-N 3.44Å |
| 153 | A | 76.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M111 A112 G149 A150 K156 C157 | M111-A153 HydrophobicContact CE-CB 4.17Å; A112-A153 HydrophobicContact CB-CB 3.72Å; G149-A153 WeakPolarHBondContact O-CB 3.47Å; G149-A153 PolarHBondContact O-N 3.36Å; G149-A153 VanDerWaalsContact O-N 3.11Å; A150-A153 PolarHBondContact O-N 3.45Å; A153-K156 PolarHBondContact O-N 2.92Å; A153-C157 PolarHBondContact O-N 3.34Å |
| 154 | I | 77.6 | Confident | 74.4 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 52% | 0.518 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.1 | -67.5 | 165.9 | 0 | 0 | 0 | 110.7 | A150 A151 K156 C157 Q158 | A150-I154 WeakPolarHBondContact O-CG1 3.47Å; A150-I154 PolarHBondContact O-N 2.98Å; A151-I154 PolarHBondContact O-N 2.96Å; I154-K156 VanDerWaalsContact C-N 3.3Å; I154-K156 PolarHBondContact O-N 3.3Å; I154-C157 WeakPolarHBondContact O-CB 3.24Å; I154-C157 PolarHBondContact O-N 2.95Å; I154-Q158 PolarHBondContact O-N 3.5Å |
| 155 | Y | 76.7 | Confident | 73.2 | Confident | 152 Ų | 152 | 54.2 Ų | 54.2 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.7 | -41.2 | 177.7 | 177.6 | -101.9 | 0 | 0 | 0 | 112 | A151 L152 Q158 S159 | A151-Y155 WeakPolarHBondContact O-CB 3.41Å; A151-Y155 PolarHBondContact O-N 3.31Å; L152-Y155 PolarHBondContact O-N 3.29Å; Y155-Q158 WeakPolarHBondContact O-CB 3.33Å; Y155-Q158 PolarHBondContact O-N 2.82Å; Y155-S159 WeakPolarHBondContact O-CB 3.21Å; Y155-S159 PolarHBondContact O-N 3.48Å |
| 156 | K | 72.8 | Confident | 71.6 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.8 | -36.6 | 176.3 | -168.1 | 72.1 | 178 | 178.4 | 0 | 112.8 | M93 G97 V108 L152 A153 I154 Q158 S159 M160 | M93-K156 HydrophobicContact CB-CD 4.16Å; M93-K156 HydrophobicContact CE-CB 3.16Å; M93-K156 HydrophobicContact CE-CD 4.35Å; M93-K156 HydrophobicContact CE-CG 3.57Å; M93-K156 HydrophobicContact CG-CB 4.4Å; M93-K156 HydrophobicContact CG-CD 3.79Å; M93-K156 HydrophobicContact CG-CG 3.85Å; M93-K156 PolarHBondContact O-NZ 3.16Å; M93-K156 VanDerWaalsContact O-NZ 3.15Å; M93-K156 HydrophobicContact SD-CB 3.57Å; M93-K156 VanDerWaalsContact SD-CB 3.57Å; M93-K156 HydrophobicContact SD-CD 3.76Å; M93-K156 HydrophobicContact SD-CG 3.68Å; G97-K156 PolarHBondContact O-NZ 3.15Å; V108-K156 HydrophobicContact CG2-CG 4.4Å; L152-K156 PolarHBondContact O-N 3.44Å; A153-K156 PolarHBondContact O-N 2.92Å; I154-K156 VanDerWaalsContact C-N 3.3Å; I154-K156 PolarHBondContact O-N 3.3Å; K156-Q158 PolarHBondContact O-N 3.39Å; K156-S159 CarbonylContact O-C 3.58Å; K156-S159 PolarHBondContact O-N 3.09Å; K156-S159 VanDerWaalsContact O-N 3.16Å; K156-M160 HydrophobicContact CD-CE 4.46Å; K156-M160 HydrophobicContact CD-CG 4.46Å; K156-M160 HydrophobicContact CG-CE 4.41Å; K156-M160 HydrophobicContact CG-CG 4.29Å; K156-M160 WeakPolarHBondContact O-CB 3.36Å; K156-M160 WeakPolarHBondContact O-CG 3.28Å; K156-M160 PolarHBondContact O-N 3.02Å |
| 157 | C | 69.8 | Low | 70.1 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.6 | -40.8 | 171.1 | -90.7 | 0 | 0 | 0 | 0 | 111.7 | V108 A153 I154 G161 L162 L163 | V108-C157 VanDerWaalsContact CG1-SG 3.54Å; A153-C157 PolarHBondContact O-N 3.34Å; I154-C157 WeakPolarHBondContact O-CB 3.24Å; I154-C157 PolarHBondContact O-N 2.95Å; C157-G161 PolarHBondContact O-N 3.42Å; C157-L162 PolarHBondContact O-N 3.18Å; C157-L163 HydrophobicContact CB-CD1 4.42Å; C157-L163 HydrophobicContact CB-CG 4.39Å |
| 158 | Q | 69.8 | Low | 68.9 | Low | 122 Ų | 122 | 62.5 Ų | 62.5 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.6 | -47.7 | 172.9 | -173.9 | -179 | -9.3 | 0 | 0 | 111.7 | I154 Y155 K156 M160 G161 L163 | I154-Q158 PolarHBondContact O-N 3.5Å; Y155-Q158 WeakPolarHBondContact O-CB 3.33Å; Y155-Q158 PolarHBondContact O-N 2.82Å; K156-Q158 PolarHBondContact O-N 3.39Å; Q158-M160 PolarHBondContact O-N 3.48Å; Q158-G161 PolarHBondContact O-N 3.28Å; Q158-L163 HydrophobicContact CB-CD1 3.93Å |
| 159 | S | 64 | Low | 68.2 | Low | 45 Ų | 45 | 61.9 Ų | 61.9 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -23.3 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 113.8 | N98 Y155 K156 | N98-S159 PolarHBondContact ND2-O 3.25Å; N98-S159 PolarHBondContact OD1-OG 3.25Å; Y155-S159 WeakPolarHBondContact O-CB 3.21Å; Y155-S159 PolarHBondContact O-N 3.48Å; K156-S159 CarbonylContact O-C 3.58Å; K156-S159 PolarHBondContact O-N 3.09Å; K156-S159 VanDerWaalsContact O-N 3.16Å |
| 160 | M | 62.6 | Low | 67.7 | Low | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -2.3 | 174.5 | -71.5 | -161.8 | 165.9 | 0 | 0 | 113.5 | P104 K156 Q158 L162 | P104-M160 HydrophobicContact CB-CE 3.71Å; P104-M160 HydrophobicContact CB-SD 4.1Å; P104-M160 HydrophobicContact CG-CE 4.48Å; K156-M160 HydrophobicContact CD-CE 4.46Å; K156-M160 HydrophobicContact CD-CG 4.46Å; K156-M160 HydrophobicContact CG-CE 4.41Å; K156-M160 HydrophobicContact CG-CG 4.29Å; K156-M160 WeakPolarHBondContact O-CB 3.36Å; K156-M160 WeakPolarHBondContact O-CG 3.28Å; K156-M160 PolarHBondContact O-N 3.02Å; Q158-M160 PolarHBondContact O-N 3.48Å; M160-L162 VanDerWaalsContact C-N 3.31Å; M160-L162 HydrophobicContact CB-CD1 3.77Å; M160-L162 HydrophobicContact CB-CG 4.02Å; M160-L162 PolarHBondContact O-N 3.38Å; M160-L162 HydrophobicContact SD-CD1 4.44Å |
| 161 | G | 60.9 | Low | 66.7 | Low | 44 Ų | 44 | 73.2 Ų | 73.2 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 24.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C157 Q158 | C157-G161 PolarHBondContact O-N 3.42Å; Q158-G161 PolarHBondContact O-N 3.28Å |
| 162 | L | 61.9 | Low | 65.9 | Low | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | trans | -87.2 | -16.5 | -177.1 | -63.3 | 160.2 | 0 | 0 | 0 | 113.2 | I105 C157 M160 | I105-L162 HydrophobicContact CB-CD1 4.24Å; I105-L162 HydrophobicContact CB-CD2 4.42Å; I105-L162 HydrophobicContact CD1-CD1 4.47Å; I105-L162 HydrophobicContact CD1-CD2 3.38Å; I105-L162 HydrophobicContact CD1-CG 4.47Å; I105-L162 HydrophobicContact CG1-CD1 3.65Å; I105-L162 HydrophobicContact CG1-CD2 3.54Å; I105-L162 HydrophobicContact CG1-CG 4.18Å; I105-L162 HydrophobicContact CG2-CD1 4.04Å; I105-L162 HydrophobicContact CG2-CD2 4.03Å; C157-L162 PolarHBondContact O-N 3.18Å; M160-L162 VanDerWaalsContact C-N 3.31Å; M160-L162 HydrophobicContact CB-CD1 3.77Å; M160-L162 HydrophobicContact CB-CG 4.02Å; M160-L162 PolarHBondContact O-N 3.38Å; M160-L162 HydrophobicContact SD-CD1 4.44Å | ||
| 163 | L | 59.4 | Low | 65.6 | Low | 63 Ų | 63 | 80.6 Ų | 80.6 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -81.1 | 134.4 | 175.1 | -70.7 | 166.9 | 0 | 0 | 0 | 108.2 | C157 Q158 T165 | C157-L163 HydrophobicContact CB-CD1 4.42Å; C157-L163 HydrophobicContact CB-CG 4.39Å; Q158-L163 HydrophobicContact CB-CD1 3.93Å; L163-T165 HydrophobicContact CB-CG2 3.68Å; L163-T165 PolarHBondContact O-N 3.16Å; L163-T165 PolarHBondContact O-OG1 3.28Å |
| 164 | P | 55.1 | Low | 65.6 | Low | 86 Ų | 86 | 86.1 Ų | 86.1 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 68.9 | 175.3 | 29.3 | -34.7 | 0 | 0 | 0 | 110.3 | D169 W170 | P164-D169 WeakPolarHBondContact CA-OD2 3.45Å; P164-D169 HydrophobicContact CB-CB 4.45Å; P164-W170 PolarHBondContact O-NE1 2.82Å |
| 165 | T | 60.1 | Low | 65.5 | Low | 100 Ų | 100 | 89.2 Ų | 89.2 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -14.1 | -170.1 | 51 | 0 | 0 | 0 | 0 | 110.8 | L163 D169 | L163-T165 HydrophobicContact CB-CG2 3.68Å; L163-T165 PolarHBondContact O-N 3.16Å; L163-T165 PolarHBondContact O-OG1 3.28Å; T165-D169 PolarHBondContact N-OD2 2.9Å |
| 166 | H | 53.2 | Low | 65.6 | Low | 126 Ų | 126 | 87 Ų | 87 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -92.1 | 139.5 | 177.1 | -150.7 | -100.9 | 0 | 0 | 0 | 109.5 | S168 D169 | H166-S168 WeakPolarHBondContact CB-OG 3.5Å; H166-S168 PolarHBondContact ND1-OG 3Å; H166-S168 PolarHBondContact O-N 2.88Å; H166-D169 PolarHBondContact N-OD2 2.66Å; H166-D169 VanDerWaalsContact N-OD2 3.16Å; H166-D169 WeakPolarHBondContact O-CB 3.33Å; H166-D169 PolarHBondContact O-N 3.49Å |
| 167 | S | 54.8 | Low | 65.9 | Low | 99 Ų | 99 | 92.2 Ų | 92.2 | 69% | 0.692 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -57.8 | -21.2 | 179.8 | -50.3 | 0 | 0 | 0 | 0 | 113 | D169 W170 L171 | S167-D169 VanDerWaalsContact C-N 3.32Å; S167-W170 PolarHBondContact O-N 3.33Å; S167-L171 PolarHBondContact O-N 3.34Å |
| 168 | S | 60.7 | Low | 66.5 | Low | 68 Ų | 68 | 99.7 Ų | 99.7 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -65.4 | -30.2 | 172.3 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | H166 W170 L171 | H166-S168 WeakPolarHBondContact CB-OG 3.5Å; H166-S168 PolarHBondContact ND1-OG 3Å; H166-S168 PolarHBondContact O-N 2.88Å; S168-W170 PolarHBondContact O-N 3.35Å; S168-L171 WeakPolarHBondContact O-CB 3.38Å; S168-L171 PolarHBondContact O-N 3.34Å |
| 169 | D | 69.3 | Low | 66.9 | Low | 67 Ų | 67 | 105 Ų | 105 | 36% | 0.358 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -70.5 | -21.6 | 179 | -53.9 | -34.9 | 0 | 0 | 0 | 111.4 | P164 T165 H166 S167 | P164-D169 WeakPolarHBondContact CA-OD2 3.45Å; P164-D169 HydrophobicContact CB-CB 4.45Å; T165-D169 PolarHBondContact N-OD2 2.9Å; H166-D169 PolarHBondContact N-OD2 2.66Å; H166-D169 VanDerWaalsContact N-OD2 3.16Å; H166-D169 WeakPolarHBondContact O-CB 3.33Å; H166-D169 PolarHBondContact O-N 3.49Å; S167-D169 VanDerWaalsContact C-N 3.32Å |
| 170 | W | 71.3 | Confident | 67.8 | Low | 143 Ų | 143 | 111.6 Ų | 111.6 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -99.7 | -8 | -179.5 | -58.6 | 90.3 | 0 | 0 | 0 | 113.2 | P164 S167 S168 A172 F173 | P164-W170 PolarHBondContact O-NE1 2.82Å; S167-W170 PolarHBondContact O-N 3.33Å; S168-W170 PolarHBondContact O-N 3.35Å; W170-A172 PolarHBondContact O-N 3.05Å; W170-F173 HydrophobicContact CE3-CD2 4.24Å; W170-F173 PolarHBondContact O-N 3.28Å |
| 171 | L | 61.2 | Low | 68.9 | Low | 119 Ų | 119 | 118.8 Ų | 118.8 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -63.9 | -28.3 | -179.9 | -163.3 | 116.7 | 0 | 0 | 0 | 112.3 | S167 S168 F173 I174 | S167-L171 PolarHBondContact O-N 3.34Å; S168-L171 WeakPolarHBondContact O-CB 3.38Å; S168-L171 PolarHBondContact O-N 3.34Å; L171-F173 PolarHBondContact O-N 3.22Å; L171-I174 PolarHBondContact O-N 3.22Å |
| 172 | A | 67.2 | Low | 69.8 | Low | 90 Ų | 90 | 124.3 Ų | 124.3 | 74% | 0.744 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -64.7 | -18 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W170 | W170-A172 PolarHBondContact O-N 3.05Š|
| 173 | F | 73.3 | Confident | 70.6 | Confident | 162 Ų | 162 | 130.1 Ų | 130.1 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -104.8 | 0.5 | 178.9 | -57.1 | -64.9 | 0 | 0 | 0 | 113.4 | W170 L171 | W170-F173 HydrophobicContact CE3-CD2 4.24Å; W170-F173 PolarHBondContact O-N 3.28Å; L171-F173 PolarHBondContact O-N 3.22Å |
| 174 | I | 76.3 | Confident | 71.6 | Confident | 115 Ų | 115 | 131 Ų | 131 | 59% | 0.59 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -86.7 | 120.4 | 175 | -60.2 | 175.9 | 0 | 0 | 0 | 107.7 | L171 | L171-I174 PolarHBondContact O-N 3.22Š|
| 175 | E | 76 | Confident | 72.9 | Confident | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.2 | 174.7 | -72.4 | 175.7 | 176.9 | 0 | 0 | 110.2 | ||
| 176 | P | 78.3 | Confident | 74 | Confident | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.9 | 178.2 | 25.8 | -33 | 0 | 0 | 0 | 109.6 | Q178 | P176-Q178 PolarHBondContact O-N 3.1Å; P176-Q178 VanDerWaalsContact O-N 3.1Å |
| 177 | P | 79.9 | Confident | 75 | Confident | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.5 | 178.4 | 23.1 | -32.2 | 0 | 0 | 0 | 109.7 | R179 | P177-R179 PolarHBondContact O-N 3.11Š|
| 178 | Q | 82 | Confident | 75.8 | Confident | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.7 | 177.6 | -67.6 | -170.8 | -17.3 | 0 | 0 | 109.3 | P176 M180 | P176-Q178 PolarHBondContact O-N 3.1Å; P176-Q178 VanDerWaalsContact O-N 3.1Å; Q178-M180 PolarHBondContact O-N 3.4Å; Q178-M180 VanDerWaalsContact O-N 3.11Å |
| 179 | R | 77.4 | Confident | 75.8 | Confident | 234 Ų | 234 | 141.6 Ų | 141.6 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 110 | 174.6 | -70.5 | -176.6 | 174.9 | -173.1 | -2.1 | 108.8 | P177 | P177-R179 PolarHBondContact O-N 3.11Š| ||
| 180 | M | 82.3 | Confident | 76.1 | Confident | 184 Ų | 184 | 145.4 Ų | 145.4 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -84.7 | -16.6 | 177.9 | -64.7 | -135.6 | -67.6 | 0 | 0 | 113.4 | Q178 | Q178-M180 PolarHBondContact O-N 3.4Å; Q178-M180 VanDerWaalsContact O-N 3.11Å | ||
| 181 | E | 86.2 | Confident | 76.4 | Confident | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -129.2 | 132.6 | -177.2 | -62.8 | -178.4 | -178.5 | 0 | 0 | 110.4 | ||||
| 182 | I | 79.8 | Confident | 77.2 | Confident | 160 Ų | 160 | 146.9 Ų | 146.9 | 82% | 0.821 | 82% | 0.821 | S | S | * | * | trans | -119.5 | 105.4 | 176 | -60.2 | 173.2 | 0 | 0 | 0 | 106.7 | ||||
| 183 | M | 78.5 | Confident | 77.8 | Confident | 183 Ų | 183 | 150.3 Ų | 150.3 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -101.4 | 112.5 | 166.1 | -74 | -173.1 | 173.1 | 0 | 0 | 108.6 | ||||
| 184 | G | 80.8 | Confident | 78.1 | Confident | 81 Ų | 81 | 149.6 Ų | 149.6 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -114.8 | 108.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 185 | G | 82.7 | Confident | 78.2 | Confident | 85 Ų | 85 | 151.9 Ų | 151.9 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | trans | -129.9 | 117.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 186 | G | 82.7 | Confident | 78.4 | Confident | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 85% | 0.854 | S | S | * | * | trans | -108.8 | 166.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V188 | G186-V188 PolarHBondContact O-N 3.31Š| ||
| 187 | M | 74.2 | Confident | 78.4 | Confident | 176 Ų | 176 | 154.3 Ų | 154.3 | 87% | 0.867 | 87% | 0.867 | S | S | * | * | trans | -65.9 | 126.3 | 176.7 | -158.1 | -179.6 | -60.5 | 0 | 0 | 109.7 | L189 | M187-L189 PolarHBondContact O-N 3.37Š| ||
| 188 | V | 72.5 | Confident | 78.3 | Confident | 142 Ų | 142 | 156.7 Ų | 156.7 | 86% | 0.861 | 87% | 0.871 | S | S | * | * | trans | -74.2 | 110.4 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | G186 | G186-V188 PolarHBondContact O-N 3.31Š| ||
| 189 | L | 60.2 | Low | 77.9 | Confident | 229 Ų | 229 | 154.9 Ų | 154.9 | 100% | 1.199 | 88% | 0.875 | S | S | * | * | trans | -91.8 | 0 | 167.5 | -87 | 163.9 | 0 | 0 | 0 | 109.6 | M187 | M187-L189 PolarHBondContact O-N 3.37Š|
Retrieved 189 of 189 residues in 138 ms
(Link to these results)