| 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 | 36 | Very low | 49.4 | Very low | 221 Ų | 221 | 163.1 Ų | 163.1 | 100% | 1.089 | 78% | 0.779 | S | S | * | * | 0 | 127.5 | 0 | -79.5 | 75.6 | -179 | 0 | 0 | 108.6 | |||||
| 2 | N | 39.7 | Very low | 50 | Low | 140 Ų | 140 | 156.3 Ų | 156.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 56.2 | 142.9 | 147.4 | -61 | -16.9 | 0 | 0 | 0 | 118.9 | ||||
| 3 | R | 42.8 | Very low | 50.5 | Low | 211 Ų | 211 | 153.5 Ų | 153.5 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | cis | -173.1 | 134 | -3.1 | -116.2 | 178.1 | 174.1 | 163.9 | -3.8 | 104.3 | ||||
| 4 | L | 51.3 | Low | 50.7 | Low | 136 Ų | 136 | 155.6 Ų | 155.6 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | 24.7 | 117 | 133 | -63.6 | 165.3 | 0 | 0 | 0 | 118.1 | ||||
| 5 | Q | 48.5 | Very low | 50.9 | Low | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -129.1 | 105.5 | 141.3 | -153.8 | 96.7 | 35.8 | 0 | 0 | 105.9 | D7 | Q5-D7 PolarHBondContact O-N 3.31Š| ||
| 6 | D | 50.1 | Low | 50.6 | Low | 130 Ų | 130 | 154.4 Ų | 154.4 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | -67 | 113.9 | 175.6 | -65.8 | -70.9 | 0 | 0 | 0 | 109.7 | Y8 | D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 PolarHBondContact O-N 2.85Å | ||
| 7 | D | 48.6 | Very low | 50.8 | Low | 167 Ų | 167 | 151.2 Ų | 151.2 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -81 | 88 | 160.8 | -77.8 | -53 | 0 | 0 | 0 | 107.6 | Q5 D9 | Q5-D7 PolarHBondContact O-N 3.31Å; D7-D9 PolarHBondContact O-N 3.09Å | ||
| 8 | Y | 53.3 | Low | 50.8 | Low | 207 Ų | 207 | 150.5 Ų | 150.5 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -79.2 | 103.4 | 169.1 | -169.4 | -98.5 | 0 | 0 | 0 | 107.9 | D6 P10 | D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 PolarHBondContact O-N 2.85Å; Y8-P10 VanDerWaalsContact O-CD 3.28Å; Y8-P10 WeakPolarHBondContact O-CD 3.46Å | ||
| 9 | D | 63.5 | Low | 50.9 | Low | 107 Ų | 107 | 151.5 Ų | 151.5 | 57% | 0.572 | 77% | 0.771 | S | S | * | * | trans | -79.8 | 111.6 | 170.5 | -175.4 | -3.8 | 0 | 0 | 0 | 109.4 | D7 Y11 | D7-D9 PolarHBondContact O-N 3.09Å; D9-Y11 PolarHBondContact O-N 2.97Å; D9-Y11 PolarHBondContact OD1-N 2.78Å | ||
| 10 | P | 58.8 | Low | 50.6 | Low | 97 Ų | 97 | 151.7 Ų | 151.7 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 7.3 | -179.6 | 31.2 | -30.4 | 0 | 0 | 0 | 113.9 | Y8 | Y8-P10 VanDerWaalsContact O-CD 3.28Å; Y8-P10 WeakPolarHBondContact O-CD 3.46Å |
| 11 | Y | 51.2 | Low | 50.1 | Low | 192 Ų | 192 | 149.6 Ų | 149.6 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 28.1 | 177 | -67.8 | -79.8 | 0 | 0 | 0 | 114 | D9 V13 | D9-Y11 PolarHBondContact O-N 2.97Å; D9-Y11 PolarHBondContact OD1-N 2.78Å; Y11-V13 VanDerWaalsContact C-N 3.26Å; Y11-V13 PolarHBondContact O-N 2.77Å |
| 12 | A | 55.7 | Low | 50.3 | Low | 82 Ų | 82 | 142.9 Ų | 142.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -65.6 | 90.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E14 | A12-E14 PolarHBondContact O-N 2.84Š| ||
| 13 | V | 56.6 | Low | 50.4 | Low | 120 Ų | 120 | 144.7 Ų | 144.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -75.8 | 100.1 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 106.3 | Y11 E15 | Y11-V13 VanDerWaalsContact C-N 3.26Å; Y11-V13 PolarHBondContact O-N 2.77Å; V13-E15 PolarHBondContact O-N 3.34Å | ||
| 14 | E | 54.3 | Low | 50.1 | Low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -66 | 101.5 | 164.9 | -69.7 | -175.6 | 166.7 | 0 | 0 | 107.4 | A12 P16 | A12-E14 PolarHBondContact O-N 2.84Å; E14-P16 VanDerWaalsContact O-CD 3.28Å; E14-P16 WeakPolarHBondContact O-CD 3.38Å | ||
| 15 | E | 53.5 | Low | 50 | Low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -67 | 118.1 | 165.4 | -71.1 | -172.7 | 138.9 | 0 | 0 | 108 | V13 S17 | V13-E15 PolarHBondContact O-N 3.34Å; E15-S17 PolarHBondContact O-N 3.37Å; E15-S17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | P | 45.9 | Very low | 50.1 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -69.6 | 108.6 | 166.7 | -5.5 | 22.2 | 0 | 0 | 0 | 107.2 | E14 D18 | E14-P16 VanDerWaalsContact O-CD 3.28Å; E14-P16 WeakPolarHBondContact O-CD 3.38Å; P16-D18 PolarHBondContact O-N 3.29Å | ||
| 17 | S | 53.2 | Low | 49.8 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | -65.4 | 96.1 | 168.5 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | E15 E19 | E15-S17 PolarHBondContact O-N 3.37Å; E15-S17 VanDerWaalsContact O-N 3.1Å; S17-E19 VanDerWaalsContact C-N 3.26Å; S17-E19 PolarHBondContact O-N 3.39Å; S17-E19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | D | 51.7 | Low | 50.5 | Low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | -78.5 | 74.9 | 171.9 | -166.5 | 22.5 | 0 | 0 | 0 | 109.1 | P16 E20 | P16-D18 PolarHBondContact O-N 3.29Å; D18-E20 VanDerWaalsContact C-N 3.32Å; D18-E20 PolarHBondContact O-N 2.64Å; D18-E20 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 19 | E | 52.3 | Low | 51.5 | Low | 169 Ų | 169 | 125.7 Ų | 125.7 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | trans | -88.9 | 72.2 | 167.1 | -63.5 | -157.8 | 151.6 | 0 | 0 | 109.6 | S17 P21 | S17-E19 VanDerWaalsContact C-N 3.26Å; S17-E19 PolarHBondContact O-N 3.39Å; S17-E19 VanDerWaalsContact O-N 3.07Å; E19-P21 WeakPolarHBondContact O-CD 3.36Å | ||
| 20 | E | 44.3 | Very low | 51.9 | Low | 156 Ų | 156 | 124.6 Ų | 124.6 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | trans | -83.5 | 116.3 | 161.4 | -73.6 | -78.4 | 137.4 | 0 | 0 | 107.9 | D18 A22 | D18-E20 VanDerWaalsContact C-N 3.32Å; D18-E20 PolarHBondContact O-N 2.64Å; D18-E20 WeakPolarHBondContact OD1-CG 3.43Å; E20-A22 PolarHBondContact O-N 3.3Å | ||
| 21 | P | 41.8 | Very low | 52.7 | Low | 107 Ų | 107 | 124.4 Ų | 124.4 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | trans | -69 | 104.4 | 173.6 | 27.5 | -29.7 | 0 | 0 | 0 | 107.9 | E19 L23 | E19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-L23 PolarHBondContact O-N 3.44Å | ||
| 22 | A | 38.7 | Very low | 54.1 | Low | 80 Ų | 80 | 116.5 Ų | 116.5 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | trans | -59.3 | 102.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108 | E20 S24 | E20-A22 PolarHBondContact O-N 3.3Å; A22-S24 PolarHBondContact O-N 3.15Å | ||
| 23 | L | 42.4 | Very low | 55.1 | Low | 179 Ų | 179 | 116.6 Ų | 116.6 | 94% | 0.937 | 65% | 0.652 | S | S | * | * | trans | -70.1 | 67.8 | 160.6 | -64.6 | 176.5 | 0 | 0 | 0 | 107.9 | P21 | P21-L23 PolarHBondContact O-N 3.44Š| ||
| 24 | S | 35.8 | Very low | 56.2 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | trans | -89.1 | 115.9 | 170.7 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | A22 S26 | A22-S24 PolarHBondContact O-N 3.15Å; S24-S26 PolarHBondContact O-N 2.72Å; S24-S26 PolarHBondContact OG-OG 3.09Å | ||
| 25 | S | 49.5 | Very low | 57.5 | Low | 129 Ų | 129 | 114.8 Ų | 114.8 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 42.9 | -180 | -176.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 26 | S | 51.3 | Low | 58.8 | Low | 66 Ų | 66 | 107.4 Ų | 107.4 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.9 | -8.4 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | S24 D28 | S24-S26 PolarHBondContact O-N 2.72Å; S24-S26 PolarHBondContact OG-OG 3.09Å; S26-D28 VanDerWaalsContact C-N 3.32Å |
| 27 | E | 44.4 | Very low | 60.8 | Low | 145 Ų | 145 | 105.2 Ų | 105.2 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.5 | -13.2 | -179.6 | -58.3 | -157.9 | 128.2 | 0 | 0 | 113.5 | V30 | E27-V30 VanDerWaalsContact O-CG2 3.24Å; E27-V30 WeakPolarHBondContact O-CG2 3.33Å |
| 28 | D | 61.4 | Low | 62.2 | Low | 122 Ų | 122 | 105 Ų | 105 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.4 | -27.7 | -179.3 | -160.5 | 43.5 | 0 | 0 | 0 | 112.5 | S26 V32 | S26-D28 VanDerWaalsContact C-N 3.32Å; D28-V32 WeakPolarHBondContact O-CB 3.26Å; D28-V32 WeakPolarHBondContact O-CG2 3.45Å; D28-V32 PolarHBondContact O-N 2.95Å |
| 29 | E | 74.3 | Confident | 63.5 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.7 | -42.2 | -178.3 | -61.6 | -174.4 | 176.9 | 0 | 0 | 113 | D31 V32 L33 L44 | E29-D31 VanDerWaalsContact C-N 3.33Å; E29-V32 PolarHBondContact O-N 3.33Å; E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.25Å; E29-L44 HydrophobicContact CB-CD1 4.39Å; E29-L44 HydrophobicContact CB-CD2 4.24Å; E29-L44 HydrophobicContact CG-CD1 4.06Å; E29-L44 WeakPolarHBondContact O-CD2 3.5Å |
| 30 | V | 71.9 | Confident | 64.9 | Low | 83 Ų | 83 | 101 Ų | 101 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.3 | -37.3 | 177.6 | -78.2 | 0 | 0 | 0 | 0 | 110.9 | E27 L33 L34 | E27-V30 VanDerWaalsContact O-CG2 3.24Å; E27-V30 WeakPolarHBondContact O-CG2 3.33Å; V30-L33 PolarHBondContact O-N 3.08Å; V30-L34 WeakPolarHBondContact O-CD1 3.34Å; V30-L34 PolarHBondContact O-N 2.95Å |
| 31 | D | 76.9 | Confident | 66.8 | Low | 94 Ų | 94 | 96.6 Ų | 96.6 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.8 | -35.6 | 178.3 | -135 | 34.9 | 0 | 0 | 0 | 111.6 | E29 L34 H35 G36 | E29-D31 VanDerWaalsContact C-N 3.33Å; D31-L34 PolarHBondContact O-N 3.28Å; D31-H35 WeakPolarHBondContact O-CA 3.14Å; D31-H35 PolarHBondContact O-N 2.89Å; D31-H35 IonicContact OD1-CD2 3.36Å; D31-H35 PolarHBondContact OD1-CD2 3.17Å; D31-G36 PolarHBondContact O-N 2.83Å |
| 32 | V | 79.7 | Confident | 68.7 | Low | 25 Ų | 25 | 100.3 Ų | 100.3 | 15% | 0.152 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 170.4 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | D28 E29 G36 Q40 K41 L44 | D28-V32 WeakPolarHBondContact O-CB 3.26Å; D28-V32 WeakPolarHBondContact O-CG2 3.45Å; D28-V32 PolarHBondContact O-N 2.95Å; E29-V32 PolarHBondContact O-N 3.33Å; V32-G36 WeakPolarHBondContact O-CA 3.26Å; V32-G36 PolarHBondContact O-N 2.97Å; V32-Q40 HydrophobicContact CG1-CB 3.82Å; V32-K41 VanDerWaalsContact O-CE 3.26Å; V32-K41 WeakPolarHBondContact O-CE 3.43Å; V32-K41 VanDerWaalsContact O-CG 3.28Å; V32-K41 WeakPolarHBondContact O-CG 3.41Å; V32-L44 HydrophobicContact CB-CD2 4.16Å; V32-L44 HydrophobicContact CG1-CB 4.37Å; V32-L44 HydrophobicContact CG1-CD2 3.89Å |
| 33 | L | 78.2 | Confident | 70.8 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.6 | -80.5 | 162.8 | 0 | 0 | 0 | 113.2 | E29 V30 K41 L44 | E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.25Å; V30-L33 PolarHBondContact O-N 3.08Å; L33-K41 WeakPolarHBondContact O-CE 3.48Å; L33-K41 PolarHBondContact O-NZ 3.35Å; L33-L44 HydrophobicContact CD1-CD2 4.22Å; L33-L44 HydrophobicContact CD2-CD2 4.37Å; L33-L44 HydrophobicContact CG-CD2 3.8Å |
| 34 | L | 78.7 | Confident | 72.6 | Confident | 119 Ų | 119 | 95.1 Ų | 95.1 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -81.7 | -52 | 179.2 | -84.7 | 107.5 | 0 | 0 | 0 | 111.9 | V30 D31 K41 | V30-L34 WeakPolarHBondContact O-CD1 3.34Å; V30-L34 PolarHBondContact O-N 2.95Å; D31-L34 PolarHBondContact O-N 3.28Å; L34-K41 PolarHBondContact O-NZ 2.96Å |
| 35 | H | 81.2 | Confident | 74.7 | Confident | 146 Ų | 146 | 96 Ų | 96 | 68% | 0.676 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -115 | -9 | -166.7 | -58.6 | -61.3 | 0 | 0 | 0 | 115 | D31 | D31-H35 WeakPolarHBondContact O-CA 3.14Å; D31-H35 PolarHBondContact O-N 2.89Å; D31-H35 IonicContact OD1-CD2 3.36Å; D31-H35 PolarHBondContact OD1-CD2 3.17Å |
| 36 | G | 81.9 | Confident | 76.2 | Confident | 17 Ų | 17 | 98 Ų | 98 | 18% | 0.175 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -65 | 162.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D31 V32 K41 | D31-G36 PolarHBondContact O-N 2.83Å; V32-G36 WeakPolarHBondContact O-CA 3.26Å; V32-G36 PolarHBondContact O-N 2.97Å; G36-K41 WeakPolarHBondContact O-CE 3.43Å |
| 37 | T | 87.2 | Confident | 77.2 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | trans | -69.2 | 156.5 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | D39 Q40 K41 | T37-D39 PolarHBondContact O-N 3.3Å; T37-D39 VanDerWaalsContact O-N 3.12Å; T37-Q40 PolarHBondContact O-N 3.24Å; T37-Q40 VanDerWaalsContact OG1-CD 3.24Å; T37-Q40 VanDerWaalsContact OG1-CG 3.28Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.33Å; T37-Q40 PolarHBondContact OG1-OE1 3.29Å; T37-K41 PolarHBondContact O-N 3.04Å | ||
| 38 | P | 82.1 | Confident | 78.6 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56 | -31.3 | 179.9 | -26.3 | 34.8 | 0 | 0 | 0 | 114.2 | R42 | P38-R42 WeakPolarHBondContact O-CB 3.47Å; P38-R42 VanDerWaalsContact O-CG 3.26Å; P38-R42 WeakPolarHBondContact O-CG 3.25Å; P38-R42 PolarHBondContact O-N 2.66Å; P38-R42 VanDerWaalsContact O-N 3.1Å |
| 39 | D | 79.9 | Confident | 79.1 | Confident | 127 Ų | 127 | 96.2 Ų | 96.2 | 68% | 0.679 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -74.5 | -36.5 | 176.8 | -75.6 | -24.7 | 0 | 0 | 0 | 112.3 | T37 R42 K43 | T37-D39 PolarHBondContact O-N 3.3Å; T37-D39 VanDerWaalsContact O-N 3.12Å; D39-R42 PolarHBondContact O-N 3.17Å; D39-K43 WeakPolarHBondContact O-CB 3.34Å; D39-K43 PolarHBondContact O-N 2.89Å |
| 40 | Q | 80.5 | Confident | 78.8 | Confident | 96 Ų | 96 | 94.7 Ų | 94.7 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 173.4 | -71.6 | 166.1 | -31.5 | 0 | 0 | 111.3 | V32 T37 R42 K43 L44 | V32-Q40 HydrophobicContact CG1-CB 3.82Å; T37-Q40 PolarHBondContact O-N 3.24Å; T37-Q40 VanDerWaalsContact OG1-CD 3.24Å; T37-Q40 VanDerWaalsContact OG1-CG 3.28Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.33Å; T37-Q40 PolarHBondContact OG1-OE1 3.29Å; Q40-R42 PolarHBondContact O-N 3.15Å; Q40-K43 PolarHBondContact O-N 3.12Å; Q40-L44 WeakPolarHBondContact O-CB 3.29Å; Q40-L44 PolarHBondContact O-N 3.15Å |
| 41 | K | 85.8 | Confident | 78.3 | Confident | 62 Ų | 62 | 93.7 Ų | 93.7 | 27% | 0.27 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.2 | -65 | -174.9 | -170.8 | -161.6 | 0 | 111.9 | V32 L33 L34 G36 T37 I45 | V32-K41 VanDerWaalsContact O-CE 3.26Å; V32-K41 WeakPolarHBondContact O-CE 3.43Å; V32-K41 VanDerWaalsContact O-CG 3.28Å; V32-K41 WeakPolarHBondContact O-CG 3.41Å; L33-K41 WeakPolarHBondContact O-CE 3.48Å; L33-K41 PolarHBondContact O-NZ 3.35Å; L34-K41 PolarHBondContact O-NZ 2.96Å; G36-K41 WeakPolarHBondContact O-CE 3.43Å; T37-K41 PolarHBondContact O-N 3.04Å; K41-I45 WeakPolarHBondContact O-CB 3.47Å; K41-I45 WeakPolarHBondContact O-CD1 3.29Å; K41-I45 WeakPolarHBondContact O-CG1 3.25Å; K41-I45 PolarHBondContact O-N 2.75Å |
| 42 | R | 81.8 | Confident | 77.1 | Confident | 185 Ų | 185 | 95.8 Ų | 95.8 | 70% | 0.698 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.4 | -36.5 | 177 | -75.5 | 174 | -176.4 | -126.3 | 1.2 | 112.6 | P38 D39 Q40 R46 | P38-R42 WeakPolarHBondContact O-CB 3.47Å; P38-R42 VanDerWaalsContact O-CG 3.26Å; P38-R42 WeakPolarHBondContact O-CG 3.25Å; P38-R42 PolarHBondContact O-N 2.66Å; P38-R42 VanDerWaalsContact O-N 3.1Å; D39-R42 PolarHBondContact O-N 3.17Å; Q40-R42 PolarHBondContact O-N 3.15Å; R42-R46 WeakPolarHBondContact O-CB 3.37Å; R42-R46 PolarHBondContact O-N 3.47Å; R42-R46 VanDerWaalsContact O-N 3.11Å |
| 43 | K | 80.9 | Confident | 75.7 | Confident | 129 Ų | 129 | 97.4 Ų | 97.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.1 | -48 | 176.3 | -167.6 | 178.4 | -179.9 | -175.5 | 0 | 110.6 | D39 Q40 I45 R46 E47 E54 | D39-K43 WeakPolarHBondContact O-CB 3.34Å; D39-K43 PolarHBondContact O-N 2.89Å; Q40-K43 PolarHBondContact O-N 3.12Å; K43-I45 PolarHBondContact O-N 2.97Å; K43-R46 WeakPolarHBondContact O-CB 3.33Å; K43-R46 PolarHBondContact O-N 3.29Å; K43-E47 WeakPolarHBondContact O-CB 3.37Å; K43-E47 PolarHBondContact O-N 3.2Å; K43-E54 IonicContact NZ-OE2 3.89Å |
| 44 | L | 80.8 | Confident | 73.9 | Confident | 22 Ų | 22 | 101.9 Ų | 101.9 | 12% | 0.115 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 177.9 | -173 | 67.6 | 0 | 0 | 0 | 112.3 | E29 V32 L33 Q40 R46 E47 C48 | E29-L44 HydrophobicContact CB-CD1 4.39Å; E29-L44 HydrophobicContact CB-CD2 4.24Å; E29-L44 HydrophobicContact CG-CD1 4.06Å; E29-L44 WeakPolarHBondContact O-CD2 3.5Å; V32-L44 HydrophobicContact CB-CD2 4.16Å; V32-L44 HydrophobicContact CG1-CB 4.37Å; V32-L44 HydrophobicContact CG1-CD2 3.89Å; L33-L44 HydrophobicContact CD1-CD2 4.22Å; L33-L44 HydrophobicContact CD2-CD2 4.37Å; L33-L44 HydrophobicContact CG-CD2 3.8Å; Q40-L44 WeakPolarHBondContact O-CB 3.29Å; Q40-L44 PolarHBondContact O-N 3.15Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-E47 WeakPolarHBondContact O-CB 3.44Å; L44-E47 PolarHBondContact O-N 3.36Å; L44-C48 PolarHBondContact O-N 2.81Å; L44-C48 PolarHBondContact O-SG 3.47Å |
| 45 | I | 80.5 | Confident | 72 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 177.2 | -69.7 | 166.4 | 0 | 0 | 0 | 111.7 | K41 K43 L49 | K41-I45 WeakPolarHBondContact O-CB 3.47Å; K41-I45 WeakPolarHBondContact O-CD1 3.29Å; K41-I45 WeakPolarHBondContact O-CG1 3.25Å; K41-I45 PolarHBondContact O-N 2.75Å; K43-I45 PolarHBondContact O-N 2.97Å; I45-L49 HydrophobicContact CG2-CD1 3.63Å; I45-L49 WeakPolarHBondContact O-CB 3.41Å; I45-L49 WeakPolarHBondContact O-CD1 3.35Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.23Å |
| 46 | R | 79.8 | Confident | 70.5 | Confident | 172 Ų | 172 | 99.8 Ų | 99.8 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 176 | 178.7 | -179.9 | -64.3 | -142 | -2.5 | 110.3 | R42 K43 L44 C48 L49 T50 | R42-R46 WeakPolarHBondContact O-CB 3.37Å; R42-R46 PolarHBondContact O-N 3.47Å; R42-R46 VanDerWaalsContact O-N 3.11Å; K43-R46 WeakPolarHBondContact O-CB 3.33Å; K43-R46 PolarHBondContact O-N 3.29Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.92Å; R46-C48 PolarHBondContact O-N 3.1Å; R46-L49 PolarHBondContact O-N 3.37Å; R46-L49 VanDerWaalsContact O-N 3.13Å; R46-T50 PolarHBondContact O-N 3.35Å; R46-T50 PolarHBondContact O-OG1 3.14Å |
| 47 | E | 74.1 | Confident | 68.7 | Low | 61 Ų | 61 | 103.5 Ų | 103.5 | 29% | 0.285 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58 | -45.5 | 178.6 | -174 | 170.7 | -175.2 | 0 | 0 | 112.2 | K43 L44 L49 G51 S53 | K43-E47 WeakPolarHBondContact O-CB 3.37Å; K43-E47 PolarHBondContact O-N 3.2Å; L44-E47 WeakPolarHBondContact O-CB 3.44Å; L44-E47 PolarHBondContact O-N 3.36Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.86Å; E47-G51 VanDerWaalsContact O-CA 3.25Å; E47-G51 WeakPolarHBondContact O-CA 3.46Å; E47-G51 PolarHBondContact O-N 3.3Å; E47-S53 WeakPolarHBondContact CG-OG 3.21Å; E47-S53 WeakPolarHBondContact OE1-CA 3.33Å; E47-S53 WeakPolarHBondContact OE1-CB 3.33Å; E47-S53 PolarHBondContact OE1-OG 3.11Å |
| 48 | C | 73.8 | Confident | 67 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.4 | -27.8 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | L44 R46 | L44-C48 PolarHBondContact O-N 2.81Å; L44-C48 PolarHBondContact O-SG 3.47Å; R46-C48 PolarHBondContact O-N 3.1Å |
| 49 | L | 71.1 | Confident | 66.1 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -92.9 | -32.7 | -175.6 | -76.4 | 166.9 | 0 | 0 | 0 | 113.4 | I45 R46 E47 | I45-L49 HydrophobicContact CG2-CD1 3.63Å; I45-L49 WeakPolarHBondContact O-CB 3.41Å; I45-L49 WeakPolarHBondContact O-CD1 3.35Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.23Å; R46-L49 PolarHBondContact O-N 3.37Å; R46-L49 VanDerWaalsContact O-N 3.13Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.86Å |
| 50 | T | 69 | Low | 65.9 | Low | 77 Ų | 77 | 108.3 Ų | 108.3 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -104.9 | -12.9 | -179.3 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | R46 E52 | R46-T50 PolarHBondContact O-N 3.35Å; R46-T50 PolarHBondContact O-OG1 3.14Å; T50-E52 PolarHBondContact O-N 2.71Å; T50-E52 PolarHBondContact OG1-OE2 2.93Å; T50-E52 VanDerWaalsContact OG1-OE2 3.05Å |
| 51 | G | 61.1 | Low | 65.9 | Low | 61 Ų | 61 | 109.3 Ų | 109.3 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | trans | 69.9 | 11.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E47 S53 | E47-G51 VanDerWaalsContact O-CA 3.25Å; E47-G51 WeakPolarHBondContact O-CA 3.46Å; E47-G51 PolarHBondContact O-N 3.3Å; G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S53 PolarHBondContact O-N 3.45Å; G51-S53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | E | 51.4 | Low | 65.8 | Low | 139 Ų | 139 | 112.7 Ų | 112.7 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | trans | -87.7 | 72 | -177.1 | -61.8 | 176.6 | 131.2 | 0 | 0 | 110.3 | T50 | T50-E52 PolarHBondContact O-N 2.71Å; T50-E52 PolarHBondContact OG1-OE2 2.93Å; T50-E52 VanDerWaalsContact OG1-OE2 3.05Å | ||
| 53 | S | 49.6 | Very low | 66 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | trans | -78.4 | 131.6 | 164.3 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | E47 G51 S55 | E47-S53 WeakPolarHBondContact CG-OG 3.21Å; E47-S53 WeakPolarHBondContact OE1-CA 3.33Å; E47-S53 WeakPolarHBondContact OE1-CB 3.33Å; E47-S53 PolarHBondContact OE1-OG 3.11Å; G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S53 PolarHBondContact O-N 3.45Å; G51-S53 VanDerWaalsContact O-N 3.11Å; S53-S55 PolarHBondContact O-N 3.45Å; S53-S55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | E | 40.3 | Very low | 66.5 | Low | 177 Ų | 177 | 108.7 Ų | 108.7 | 83% | 0.827 | 58% | 0.579 | S | S | * | * | trans | -75.9 | 22.2 | 164.6 | -60.3 | -178 | 119.2 | 0 | 0 | 111.8 | K43 S56 | K43-E54 IonicContact NZ-OE2 3.89Å; E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 2.74Å | ||
| 55 | S | 40 | Very low | 67 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | trans | -79.3 | 83 | 167.7 | -78.3 | 0 | 0 | 0 | 0 | 108.7 | S53 S57 | S53-S55 PolarHBondContact O-N 3.45Å; S53-S55 VanDerWaalsContact O-N 3.08Å; S55-S57 PolarHBondContact O-N 3.37Å | ||
| 56 | S | 48.4 | Very low | 67.4 | Low | 124 Ų | 124 | 114 Ų | 114 | 87% | 0.867 | 60% | 0.602 | S | S | * | * | trans | -64.4 | 81.1 | 165.6 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | E54 | E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 2.74Å | ||
| 57 | S | 44.3 | Very low | 68 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | trans | -125.2 | 86.5 | 139.6 | 59.1 | 0 | 0 | 0 | 0 | 106.5 | S55 D59 | S55-S57 PolarHBondContact O-N 3.37Å; S57-D59 PolarHBondContact O-N 3.08Å | ||
| 58 | E | 51.8 | Low | 68.8 | Low | 142 Ų | 142 | 111.6 Ų | 111.6 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | trans | -57 | 87.7 | 159 | -166.6 | -179.9 | 136.7 | 0 | 0 | 105.7 | E60 K63 | E58-E60 PolarHBondContact O-N 3.07Å; E58-K63 WeakPolarHBondContact OE1-CD 3.47Å; E58-K63 IonicContact OE1-NZ 3.7Å; E58-K63 PolarHBondContact OE1-NZ 2.95Å | ||
| 59 | D | 62.7 | Low | 69.7 | Low | 90 Ų | 90 | 111.8 Ų | 111.8 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | trans | -66.3 | 119.8 | -178 | -157.5 | 9.7 | 0 | 0 | 0 | 106.3 | S57 F61 E62 K63 | S57-D59 PolarHBondContact O-N 3.08Å; D59-F61 PolarHBondContact O-N 2.84Å; D59-E62 HydrophobicContact CB-CG 4.4Å; D59-E62 PolarHBondContact O-N 2.87Å; D59-K63 PolarHBondContact O-N 2.78Å | ||
| 60 | E | 75.8 | Confident | 70.6 | Confident | 166 Ų | 166 | 109.9 Ų | 109.9 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -51.6 | -30.7 | -177.3 | -172.7 | 174.3 | -176.9 | 0 | 0 | 110.5 | E58 E64 | E58-E60 PolarHBondContact O-N 3.07Å; E60-E64 VanDerWaalsContact O-CB 3.29Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 PolarHBondContact O-N 2.76Å |
| 61 | F | 81.8 | Confident | 71.7 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.7 | -44.1 | 174.7 | -174 | -107.2 | 0 | 0 | 0 | 114.7 | D59 K63 E64 M65 | D59-F61 PolarHBondContact O-N 2.84Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-E64 PolarHBondContact O-N 2.91Å; F61-M65 HydrophobicContact CD1-CE 4.36Å; F61-M65 HydrophobicContact CE1-CE 3.49Å; F61-M65 VanDerWaalsContact CE1-CE 3.49Å; F61-M65 HydrophobicContact CZ-CE 3.79Å; F61-M65 VanDerWaalsContact O-CB 3.31Å; F61-M65 WeakPolarHBondContact O-CB 3.42Å; F61-M65 PolarHBondContact O-N 2.89Å |
| 62 | E | 83 | Confident | 73.1 | Confident | 132 Ų | 132 | 110 Ų | 110 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.9 | -38.6 | 179.4 | -76.3 | -174.5 | 167 | 0 | 0 | 111.1 | D59 M65 E66 | D59-E62 HydrophobicContact CB-CG 4.4Å; D59-E62 PolarHBondContact O-N 2.87Å; E62-M65 PolarHBondContact O-N 3.42Å; E62-E66 WeakPolarHBondContact O-CB 3.49Å; E62-E66 PolarHBondContact O-N 3.45Å |
| 63 | K | 86.8 | Confident | 75 | Confident | 122 Ų | 122 | 107.4 Ų | 107.4 | 53% | 0.53 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.7 | -38.6 | 176.1 | -168.7 | 176.4 | -169.1 | 167 | 0 | 112.1 | E58 D59 F61 A67 | E58-K63 WeakPolarHBondContact OE1-CD 3.47Å; E58-K63 IonicContact OE1-NZ 3.7Å; E58-K63 PolarHBondContact OE1-NZ 2.95Å; D59-K63 PolarHBondContact O-N 2.78Å; F61-K63 VanDerWaalsContact C-N 3.33Å; K63-A67 VanDerWaalsContact O-CB 3.28Å; K63-A67 WeakPolarHBondContact O-CB 3.21Å; K63-A67 PolarHBondContact O-N 3.29Å |
| 64 | E | 90.1 | Very high | 76.9 | Confident | 109 Ų | 109 | 110.8 Ų | 110.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -46.6 | 172 | -176.9 | 173.3 | -152.1 | 0 | 0 | 110.6 | E60 F61 E66 A67 E68 | E60-E64 VanDerWaalsContact O-CB 3.29Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 PolarHBondContact O-N 2.76Å; F61-E64 PolarHBondContact O-N 2.91Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.24Å; E64-A67 CarbonylContact O-C 3.59Å; E64-A67 PolarHBondContact O-N 3.33Å; E64-E68 HydrophobicContact CG-CG 4.45Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.11Å |
| 65 | M | 90.8 | Very high | 79.3 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.7 | -45.4 | 176.5 | -179.6 | -177.5 | -65.3 | 0 | 0 | 111.7 | F61 E62 A67 E68 L69 | F61-M65 HydrophobicContact CD1-CE 4.36Å; F61-M65 HydrophobicContact CE1-CE 3.49Å; F61-M65 VanDerWaalsContact CE1-CE 3.49Å; F61-M65 HydrophobicContact CZ-CE 3.79Å; F61-M65 VanDerWaalsContact O-CB 3.31Å; F61-M65 WeakPolarHBondContact O-CB 3.42Å; F61-M65 PolarHBondContact O-N 2.89Å; E62-M65 PolarHBondContact O-N 3.42Å; M65-A67 VanDerWaalsContact C-N 3.32Å; M65-A67 PolarHBondContact O-N 3.27Å; M65-E68 PolarHBondContact O-N 3.41Å; M65-L69 HydrophobicContact CG-CD1 4.05Å; M65-L69 WeakPolarHBondContact O-CB 3.19Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.44Å; M65-L69 PolarHBondContact O-N 2.79Å |
| 66 | E | 89.9 | Confident | 81.2 | Confident | 130 Ų | 130 | 106.5 Ų | 106.5 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.1 | -35 | 179.8 | -158.6 | 171.7 | -140.7 | 0 | 0 | 111.5 | E62 E64 N70 | E62-E66 WeakPolarHBondContact O-CB 3.49Å; E62-E66 PolarHBondContact O-N 3.45Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.24Å; E66-N70 WeakPolarHBondContact O-CB 3.42Å; E66-N70 PolarHBondContact O-N 3.37Å; E66-N70 PolarHBondContact O-ND2 2.86Å |
| 67 | A | 91.4 | Very high | 82.9 | Confident | 59 Ų | 59 | 105.9 Ų | 105.9 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K63 E64 M65 N70 S71 | K63-A67 VanDerWaalsContact O-CB 3.28Å; K63-A67 WeakPolarHBondContact O-CB 3.21Å; K63-A67 PolarHBondContact O-N 3.29Å; E64-A67 CarbonylContact O-C 3.59Å; E64-A67 PolarHBondContact O-N 3.33Å; M65-A67 VanDerWaalsContact C-N 3.32Å; M65-A67 PolarHBondContact O-N 3.27Å; A67-N70 PolarHBondContact O-N 2.94Å; A67-S71 VanDerWaalsContact O-CB 3.23Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 2.82Å |
| 68 | E | 92.8 | Very high | 84.4 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 175.6 | -76.5 | -163.6 | 161.2 | 0 | 0 | 111.6 | E64 M65 S71 T72 | E64-E68 HydrophobicContact CG-CG 4.45Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.11Å; M65-E68 PolarHBondContact O-N 3.41Å; E68-S71 PolarHBondContact O-N 2.77Å; E68-T72 WeakPolarHBondContact O-CB 3.48Å; E68-T72 PolarHBondContact O-N 3.28Å; E68-T72 PolarHBondContact O-OG1 2.75Å |
| 69 | L | 91.1 | Very high | 85.8 | Confident | 98 Ų | 98 | 106.1 Ų | 106.1 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 175.2 | -77.9 | 168.9 | 0 | 0 | 0 | 111 | M65 S71 T72 I73 | M65-L69 HydrophobicContact CG-CD1 4.05Å; M65-L69 WeakPolarHBondContact O-CB 3.19Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.44Å; M65-L69 PolarHBondContact O-N 2.79Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.04Å; L69-T72 PolarHBondContact O-N 3.06Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.33Å; L69-I73 PolarHBondContact O-N 2.9Å |
| 70 | N | 91.3 | Very high | 86 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 178.7 | -79.3 | -42.4 | 0 | 0 | 0 | 112.5 | E66 A67 K74 | E66-N70 WeakPolarHBondContact O-CB 3.42Å; E66-N70 PolarHBondContact O-N 3.37Å; E66-N70 PolarHBondContact O-ND2 2.86Å; A67-N70 PolarHBondContact O-N 2.94Å; N70-K74 VanDerWaalsContact O-CB 3.3Å; N70-K74 WeakPolarHBondContact O-CB 3.31Å; N70-K74 PolarHBondContact O-N 3.34Å |
| 71 | S | 91.1 | Very high | 85.4 | Confident | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.1 | -178 | 0 | 0 | 0 | 0 | 111.8 | A67 E68 L69 K74 T75 | A67-S71 VanDerWaalsContact O-CB 3.23Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 2.82Å; E68-S71 PolarHBondContact O-N 2.77Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.04Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-T75 WeakPolarHBondContact O-CB 3.31Å; S71-T75 PolarHBondContact O-N 3.49Å; S71-T75 PolarHBondContact O-OG1 2.99Å |
| 72 | T | 90.5 | Very high | 83.9 | Confident | 70 Ų | 70 | 102.8 Ų | 102.8 | 43% | 0.429 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | E68 L69 K74 T75 M76 | E68-T72 WeakPolarHBondContact O-CB 3.48Å; E68-T72 PolarHBondContact O-N 3.28Å; E68-T72 PolarHBondContact O-OG1 2.75Å; L69-T72 PolarHBondContact O-N 3.06Å; T72-K74 VanDerWaalsContact C-N 3.34Å; T72-K74 PolarHBondContact O-N 3.23Å; T72-T75 WeakPolarHBondContact O-CB 3.4Å; T72-T75 PolarHBondContact O-N 3.46Å; T72-M76 HydrophobicContact CG2-CE 3.57Å; T72-M76 WeakPolarHBondContact O-CG 3.34Å; T72-M76 PolarHBondContact O-N 3.2Å |
| 73 | I | 90.9 | Very high | 82.2 | Confident | 84 Ų | 84 | 104 Ų | 104 | 43% | 0.431 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 177.2 | -68 | 169.7 | 0 | 0 | 0 | 110 | L69 T75 M76 E77 | L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.33Å; L69-I73 PolarHBondContact O-N 2.9Å; I73-T75 VanDerWaalsContact C-N 3.3Å; I73-T75 PolarHBondContact O-N 2.93Å; I73-M76 WeakPolarHBondContact O-CB 3.45Å; I73-M76 PolarHBondContact O-N 3.44Å; I73-E77 HydrophobicContact CG2-CG 4.34Å; I73-E77 WeakPolarHBondContact O-CG 3.41Å; I73-E77 PolarHBondContact O-N 3.17Å |
| 74 | K | 91.3 | Very high | 80.5 | Confident | 130 Ų | 130 | 101.1 Ų | 101.1 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.1 | -39.2 | 178.2 | -169.4 | 174.5 | -177.4 | 177.7 | 0 | 112.7 | N70 S71 T72 M76 E77 D78 | N70-K74 VanDerWaalsContact O-CB 3.3Å; N70-K74 WeakPolarHBondContact O-CB 3.31Å; N70-K74 PolarHBondContact O-N 3.34Å; S71-K74 PolarHBondContact O-N 3.26Å; T72-K74 VanDerWaalsContact C-N 3.34Å; T72-K74 PolarHBondContact O-N 3.23Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.5Å; K74-E77 PolarHBondContact O-N 3.31Å; K74-D78 WeakPolarHBondContact O-CB 3.38Å; K74-D78 PolarHBondContact O-N 2.91Å |
| 75 | T | 88.9 | Confident | 78.3 | Confident | 72 Ų | 72 | 102 Ų | 102 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -38 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | S71 T72 I73 K79 | S71-T75 WeakPolarHBondContact O-CB 3.31Å; S71-T75 PolarHBondContact O-N 3.49Å; S71-T75 PolarHBondContact O-OG1 2.99Å; T72-T75 WeakPolarHBondContact O-CB 3.4Å; T72-T75 PolarHBondContact O-N 3.46Å; I73-T75 VanDerWaalsContact C-N 3.3Å; I73-T75 PolarHBondContact O-N 2.93Å; T75-K79 WeakPolarHBondContact O-CB 3.17Å; T75-K79 WeakPolarHBondContact O-CG 3.29Å; T75-K79 PolarHBondContact O-N 3.37Å; T75-K79 VanDerWaalsContact O-N 3.1Å |
| 76 | M | 81.3 | Confident | 75.7 | Confident | 114 Ų | 114 | 101.9 Ų | 101.9 | 56% | 0.562 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.9 | -42.7 | 174.7 | -63.5 | -160.5 | -142 | 0 | 0 | 111.5 | T72 I73 K74 K79 L80 | T72-M76 HydrophobicContact CG2-CE 3.57Å; T72-M76 WeakPolarHBondContact O-CG 3.34Å; T72-M76 PolarHBondContact O-N 3.2Å; I73-M76 WeakPolarHBondContact O-CB 3.45Å; I73-M76 PolarHBondContact O-N 3.44Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.5Å; M76-K79 PolarHBondContact O-N 2.77Å; M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.4Å; M76-L80 PolarHBondContact O-N 3.1Å |
| 77 | E | 83.6 | Confident | 72.8 | Confident | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.8 | -40.8 | 176.7 | -71.5 | -179.8 | 162.2 | 0 | 0 | 112.5 | I73 K74 L80 S81 | I73-E77 HydrophobicContact CG2-CG 4.34Å; I73-E77 WeakPolarHBondContact O-CG 3.41Å; I73-E77 PolarHBondContact O-N 3.17Å; K74-E77 PolarHBondContact O-N 3.31Å; E77-L80 PolarHBondContact O-N 2.94Å; E77-S81 VanDerWaalsContact O-CB 3.29Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.31Å; E77-S81 PolarHBondContact O-OG 3.4Å |
| 78 | D | 76.2 | Confident | 70.2 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.9 | -38.4 | 175.8 | -76 | -23.3 | 0 | 0 | 0 | 111.4 | K74 S81 S82 | K74-D78 WeakPolarHBondContact O-CB 3.38Å; K74-D78 PolarHBondContact O-N 2.91Å; D78-S81 PolarHBondContact O-N 2.9Å; D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 3.39Å |
| 79 | K | 80.8 | Confident | 67.5 | Low | 147 Ų | 147 | 102.5 Ų | 102.5 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.1 | -40.9 | 172.9 | -87.1 | 178.8 | 174.6 | -177.5 | 0 | 112.4 | T75 M76 M83 | T75-K79 WeakPolarHBondContact O-CB 3.17Å; T75-K79 WeakPolarHBondContact O-CG 3.29Å; T75-K79 PolarHBondContact O-N 3.37Å; T75-K79 VanDerWaalsContact O-N 3.1Å; M76-K79 PolarHBondContact O-N 2.77Å; K79-M83 PolarHBondContact O-N 3.21Å |
| 80 | L | 67.3 | Low | 64.6 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.7 | -38.3 | 176.6 | -70.7 | 170 | 0 | 0 | 0 | 111.4 | M76 E77 M83 | M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.4Å; M76-L80 PolarHBondContact O-N 3.1Å; E77-L80 PolarHBondContact O-N 2.94Å; L80-M83 PolarHBondContact O-N 3.37Å |
| 81 | S | 62.2 | Low | 62.2 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.7 | -36.9 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | E77 D78 M83 G84 | E77-S81 VanDerWaalsContact O-CB 3.29Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.31Å; E77-S81 PolarHBondContact O-OG 3.4Å; D78-S81 PolarHBondContact O-N 2.9Å; S81-M83 VanDerWaalsContact C-N 3.26Å; S81-M83 PolarHBondContact O-N 2.98Å; S81-G84 PolarHBondContact O-N 2.94Å |
| 82 | S | 51.6 | Low | 59.5 | Low | 93 Ų | 93 | 105 Ų | 105 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.7 | -21.6 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 113.3 | D78 G84 | D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 3.39Å; S82-G84 VanDerWaalsContact C-N 3.26Å; S82-G84 PolarHBondContact O-N 3.14Å |
| 83 | M | 46.3 | Very low | 57.2 | Low | 157 Ų | 157 | 109.6 Ų | 109.6 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -9.9 | 175.8 | -137.4 | 106.8 | 67.6 | 0 | 0 | 112.8 | K79 L80 S81 | K79-M83 PolarHBondContact O-N 3.21Å; L80-M83 PolarHBondContact O-N 3.37Å; S81-M83 VanDerWaalsContact C-N 3.26Å; S81-M83 PolarHBondContact O-N 2.98Å |
| 84 | G | 52.2 | Low | 54.5 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | S81 S82 | S81-G84 PolarHBondContact O-N 2.94Å; S82-G84 VanDerWaalsContact C-N 3.26Å; S82-G84 PolarHBondContact O-N 3.14Å |
| 85 | T | 43.4 | Very low | 52 | Low | 128 Ų | 128 | 108.4 Ų | 108.4 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -142.8 | 83.1 | -174.6 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 86 | G | 34.8 | Very low | 49.5 | Very low | 85 Ų | 85 | 108.2 Ų | 108.2 | 88% | 0.876 | 72% | 0.722 | S | S | * | * | trans | 142.9 | 94.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 87 | G | 30.2 | Very low | 48 | Very low | 84 Ų | 84 | 108.9 Ų | 108.9 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | trans | 177.7 | 80.9 | 167 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 88 | S | 37.3 | Very low | 46.8 | Very low | 119 Ų | 119 | 108.8 Ų | 108.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -78.1 | 140 | 169.7 | -85.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 89 | S | 34.6 | Very low | 46.2 | Very low | 121 Ų | 121 | 106.2 Ų | 106.2 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | 75.7 | 91 | 147.9 | -60.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 90 | A | 30.7 | Very low | 46 | Very low | 101 Ų | 101 | 106 Ų | 106 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | -151.9 | 132.3 | 127.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | G92 | A90-G92 PolarHBondContact O-N 3.44Š| |||
| 91 | V | 41.6 | Very low | 46.7 | Very low | 161 Ų | 161 | 105.4 Ų | 105.4 | 98% | 0.976 | 72% | 0.72 | S | S | * | * | trans | -63.4 | 116.9 | -174.9 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 92 | G | 34.9 | Very low | 47.6 | Very low | 59 Ų | 59 | 105.5 Ų | 105.5 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | trans | -158.3 | 107.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | A90 V94 | A90-G92 PolarHBondContact O-N 3.44Å; G92-V94 PolarHBondContact O-N 2.89Å | ||
| 93 | N | 42 | Very low | 49 | Very low | 167 Ų | 167 | 106.1 Ų | 106.1 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -60.4 | 88.8 | -176.3 | -176.7 | 54.7 | 0 | 0 | 0 | 111.7 | ||||
| 94 | V | 34.4 | Very low | 49.9 | Very low | 133 Ų | 133 | 102.1 Ų | 102.1 | 81% | 0.806 | 69% | 0.686 | S | S | * | * | trans | -99.7 | 108.5 | 168 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | G92 G96 | G92-V94 PolarHBondContact O-N 2.89Å; V94-G96 PolarHBondContact O-N 3.27Å | ||
| 95 | G | 37.5 | Very low | 50.7 | Low | 56 Ų | 56 | 104.8 Ų | 104.8 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | trans | -54.3 | 124.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V97 | G95-V97 PolarHBondContact O-N 3.44Š| ||
| 96 | G | 36.6 | Very low | 52 | Low | 69 Ų | 69 | 106.6 Ų | 106.6 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -53.6 | 124.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | V94 T98 | V94-G96 PolarHBondContact O-N 3.27Å; G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.69Å | ||
| 97 | V | 50.8 | Low | 53.4 | Low | 128 Ų | 128 | 107 Ų | 107 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | trans | -68 | 91.9 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | G95 A99 | G95-V97 PolarHBondContact O-N 3.44Å; V97-A99 PolarHBondContact O-N 2.86Å | ||
| 98 | T | 57.9 | Low | 54.8 | Low | 109 Ų | 109 | 106.8 Ų | 106.8 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | trans | -62 | 125.3 | 165.7 | 47.7 | 0 | 0 | 0 | 0 | 106.9 | G96 K100 | G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.69Å; T98-K100 PolarHBondContact O-N 2.88Å | ||
| 99 | A | 62.4 | Low | 55.9 | Low | 40 Ų | 40 | 107 Ų | 107 | 33% | 0.331 | 64% | 0.636 | S | S | . | * | trans | -55.6 | 109.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V97 Y101 | V97-A99 PolarHBondContact O-N 2.86Å; A99-Y101 HydrophobicContact CB-CE2 4.03Å; A99-Y101 WeakPolarHBondContact O-CD2 3.47Å; A99-Y101 VanDerWaalsContact O-CE2 3.29Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å | ||
| 100 | K | 77.2 | Confident | 56.9 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | trans | -77.9 | 138.1 | 178 | -59.1 | -175.5 | -178.9 | 172 | 0 | 107.9 | T98 I131 | T98-K100 PolarHBondContact O-N 2.88Å; K100-I131 HydrophobicContact CB-CB 4.25Å; K100-I131 HydrophobicContact CB-CD1 3.76Å; K100-I131 HydrophobicContact CB-CG1 4.46Å; K100-I131 PolarHBondContact O-N 2.93Å | ||
| 101 | Y | 82.9 | Confident | 57.9 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | -114.9 | 149.2 | 176.6 | -67.3 | -96.1 | 0 | 0 | 0 | 108.7 | A99 Q128 R129 R130 I131 | A99-Y101 HydrophobicContact CB-CE2 4.03Å; A99-Y101 WeakPolarHBondContact O-CD2 3.47Å; A99-Y101 VanDerWaalsContact O-CE2 3.29Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å; Y101-Q128 VanDerWaalsContact CB-OE1 3.3Å; Y101-Q128 HydrophobicContact CD1-CB 3.56Å; Y101-Q128 HydrophobicContact CE1-CB 4.02Å; Y101-Q128 HydrophobicContact CG-CB 4.24Å; Y101-R129 WeakPolarHBondContact CA-O 3.22Å; Y101-R130 HydrophobicContact CD1-CB 4.4Å; Y101-R130 HydrophobicContact CD1-CG 3.69Å; Y101-R130 HydrophobicContact CE1-CB 4.35Å; Y101-R130 HydrophobicContact CE1-CG 3.2Å; Y101-R130 HydrophobicContact CE2-CG 4.48Å; Y101-I131 WeakPolarHBondContact O-CD1 3.33Å |
| 102 | Y | 81.1 | Confident | 58.4 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 34% | 0.337 | 61% | 0.61 | S | S | . | * | trans | -65.8 | 146.5 | 173.1 | -74.2 | -80.5 | 0 | 0 | 0 | 110.4 | Y106 R129 I131 | Y102-Y106 HydrophobicContact CD1-CD1 4.18Å; Y102-Y106 HydrophobicContact CD1-CE1 4.43Å; Y102-R129 HydrophobicContact CD2-CB 4.16Å; Y102-R129 PolarHBondContact N-O 2.82Å; Y102-I131 HydrophobicContact CD1-CD1 4.39Å; Y102-I131 HydrophobicContact CD1-CG1 3.94Å; Y102-I131 HydrophobicContact CD2-CG1 3.6Å; Y102-I131 HydrophobicContact CE1-CG1 3.91Å; Y102-I131 HydrophobicContact CE2-CB 4.15Å; Y102-I131 HydrophobicContact CE2-CG1 3.57Å; Y102-I131 HydrophobicContact CG-CD1 4.47Å; Y102-I131 HydrophobicContact CG-CG1 3.79Å | ||
| 103 | D | 79.1 | Confident | 59.1 | Low | 106 Ų | 106 | 111.5 Ų | 111.5 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | trans | -61 | 141.5 | 176.2 | -169.9 | 15.9 | 0 | 0 | 0 | 110.8 | I105 Y106 | D103-I105 PolarHBondContact O-N 2.87Å; D103-Y106 WeakPolarHBondContact O-CB 3.46Å; D103-Y106 PolarHBondContact O-N 2.99Å | ||
| 104 | D | 67.1 | Low | 59.6 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 39% | 0.39 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | -17.5 | -175.7 | -80.6 | -48.7 | 0 | 0 | 0 | 112.9 | Q128 | D104-Q128 PolarHBondContact OD1-NE2 3.18Å; D104-Q128 PolarHBondContact OD2-NE2 3.14Å |
| 105 | I | 68.6 | Low | 60.2 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -29.9 | 179.8 | -53.1 | 177.1 | 0 | 0 | 0 | 111.3 | D103 F107 D108 | D103-I105 PolarHBondContact O-N 2.87Å; I105-F107 PolarHBondContact O-N 3.15Å; I105-D108 PolarHBondContact O-N 3.48Å |
| 106 | Y | 70.4 | Confident | 60.3 | Low | 165 Ų | 165 | 118.8 Ų | 118.8 | 65% | 0.647 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -24.7 | -173.3 | -176.6 | -104.2 | 0 | 0 | 0 | 113.5 | Y102 D103 | Y102-Y106 HydrophobicContact CD1-CD1 4.18Å; Y102-Y106 HydrophobicContact CD1-CE1 4.43Å; D103-Y106 WeakPolarHBondContact O-CB 3.46Å; D103-Y106 PolarHBondContact O-N 2.99Å |
| 107 | F | 65.1 | Low | 60.7 | Low | 93 Ų | 93 | 120.1 Ų | 120.1 | 41% | 0.408 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | 8.2 | 178.9 | -83.5 | -76.7 | 0 | 0 | 0 | 114.2 | I105 S109 | I105-F107 PolarHBondContact O-N 3.15Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.93Å |
| 108 | D | 58.9 | Low | 60.4 | Low | 80 Ų | 80 | 118.5 Ų | 118.5 | 43% | 0.428 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -5.1 | -174.5 | -140.6 | 14.9 | 0 | 0 | 0 | 113.9 | I105 K126 | I105-D108 PolarHBondContact O-N 3.48Å; D108-K126 IonicContact OD1-NZ 2.69Å; D108-K126 PolarHBondContact OD1-NZ 2.95Å; D108-K126 IonicContact OD2-NZ 3.79Å; D108-K126 PolarHBondContact OD2-NZ 3.03Å; D108-K126 VanDerWaalsContact OD2-NZ 3.12Å |
| 109 | S | 59.9 | Low | 59.5 | Low | 123 Ų | 123 | 122 Ų | 122 | 86% | 0.86 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -5.1 | -178.2 | -75.2 | 0 | 0 | 0 | 0 | 115.3 | F107 | F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.93Å |
| 110 | D | 54.7 | Low | 58.6 | Low | 148 Ų | 148 | 126.2 Ų | 126.2 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -107.8 | 10.6 | 179.5 | -161 | 30.9 | 0 | 0 | 0 | 113 | ||
| 111 | S | 53.2 | Low | 57 | Low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | trans | -97.8 | 79.8 | 167.2 | 69.8 | 0 | 0 | 0 | 0 | 109.9 | D113 | S111-D113 PolarHBondContact O-N 2.96Š| ||
| 112 | E | 52.4 | Low | 55.1 | Low | 180 Ų | 180 | 129.7 Ų | 129.7 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | trans | -65.9 | 82.2 | 159.4 | -63.2 | -174.1 | 145.2 | 0 | 0 | 108.7 | ||||
| 113 | D | 49.2 | Very low | 53.5 | Low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -95.2 | 73 | 162.9 | -84.8 | -39.9 | 0 | 0 | 0 | 108.1 | S111 D115 | S111-D113 PolarHBondContact O-N 2.96Å; D113-D115 PolarHBondContact O-N 2.96Å | ||
| 114 | E | 52.3 | Low | 52.4 | Low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -74.7 | 93.3 | 152.5 | -71.3 | -158.4 | 155.9 | 0 | 0 | 107.8 | ||||
| 115 | D | 45.9 | Very low | 52 | Low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | 155.8 | 138.3 | 126.1 | -89.1 | -35.4 | 0 | 0 | 0 | 115.9 | D113 | D113-D115 PolarHBondContact O-N 2.96Š| |||
| 116 | K | 39.9 | Very low | 51.8 | Low | 189 Ų | 189 | 145.1 Ų | 145.1 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | 79.5 | 93.6 | 154.5 | -58.1 | -124.1 | 178.3 | 170.6 | 0 | 119.9 | ||||
| 117 | A | 46 | Very low | 51.6 | Low | 98 Ų | 98 | 146.7 Ų | 146.7 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | 24 | 124.9 | 126.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 118 | A | 43.5 | Very low | 51.8 | Low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 87.9 | 123.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 119 | Q | 39.7 | Very low | 52.6 | Low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | 92.3 | 93.6 | 157.4 | -52.7 | -168.2 | 4.2 | 0 | 0 | 118.8 | ||||
| 120 | V | 44.4 | Very low | 53.6 | Low | 128 Ų | 128 | 150.9 Ų | 150.9 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | 47.1 | 115.9 | 126.3 | -171.7 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 121 | T | 42.5 | Very low | 54.9 | Low | 124 Ų | 124 | 146.7 Ų | 146.7 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | 75.2 | 69.5 | 151.5 | 61 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 122 | K | 42.3 | Very low | 56.1 | Low | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 71% | 0.709 | S | S | * | * | trans | -139.4 | 94.8 | 137.1 | -66.7 | -170.3 | -177.4 | 171.1 | 0 | 109.1 | K124 | K122-K124 VanDerWaalsContact C-N 3.25Å; K122-K124 PolarHBondContact O-N 3.38Å | ||
| 123 | K | 48.7 | Very low | 57.3 | Low | 213 Ų | 213 | 139.4 Ų | 139.4 | 93% | 0.926 | 69% | 0.686 | S | S | * | * | trans | -61.7 | 93.5 | 164.8 | -79.7 | -175.8 | 174.3 | 179.7 | 0 | 107.1 | K125 | K123-K125 PolarHBondContact O-N 3.44Š| ||
| 124 | K | 56.1 | Low | 58.6 | Low | 186 Ų | 186 | 135.8 Ų | 135.8 | 81% | 0.809 | 67% | 0.667 | S | S | * | * | trans | -58.9 | 107 | 171.4 | -154 | 176.6 | -176.7 | -179.5 | 0 | 105.2 | K122 K126 | K122-K124 VanDerWaalsContact C-N 3.25Å; K122-K124 PolarHBondContact O-N 3.38Å; K124-K126 PolarHBondContact O-N 2.8Å | ||
| 125 | K | 58.9 | Low | 59.5 | Low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 67% | 0.668 | S | S | * | * | trans | -57.4 | 104.5 | 177.6 | -90.1 | -179.4 | 170.9 | 178.2 | 0 | 107.1 | K123 K127 | K123-K125 PolarHBondContact O-N 3.44Å; K125-K127 PolarHBondContact O-N 3.14Å | ||
| 126 | K | 62.8 | Low | 60.9 | Low | 110 Ų | 110 | 134.5 Ų | 134.5 | 48% | 0.478 | 66% | 0.661 | S | S | . | * | trans | -56.6 | 120.8 | 170.4 | -73.5 | -174.1 | 171.9 | -172.4 | 0 | 106.6 | D108 K124 Q128 | D108-K126 IonicContact OD1-NZ 2.69Å; D108-K126 PolarHBondContact OD1-NZ 2.95Å; D108-K126 IonicContact OD2-NZ 3.79Å; D108-K126 PolarHBondContact OD2-NZ 3.03Å; D108-K126 VanDerWaalsContact OD2-NZ 3.12Å; K124-K126 PolarHBondContact O-N 2.8Å; K126-Q128 PolarHBondContact O-N 3.38Å | ||
| 127 | K | 66.6 | Low | 62.9 | Low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 64% | 0.635 | S | S | * | * | trans | -69.4 | 104.4 | 175.9 | -74.3 | -178.4 | 179.3 | 179.6 | 0 | 106.5 | K125 R129 | K125-K127 PolarHBondContact O-N 3.14Å; K127-R129 PolarHBondContact O-N 3.46Å | ||
| 128 | Q | 70 | Confident | 64.6 | Low | 87 Ų | 87 | 132.3 Ų | 132.3 | 41% | 0.407 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 116.2 | 175.5 | -75 | -93 | -28.1 | 0 | 0 | 109 | Y101 D104 K126 | Y101-Q128 VanDerWaalsContact CB-OE1 3.3Å; Y101-Q128 HydrophobicContact CD1-CB 3.56Å; Y101-Q128 HydrophobicContact CE1-CB 4.02Å; Y101-Q128 HydrophobicContact CG-CB 4.24Å; D104-Q128 PolarHBondContact OD1-NE2 3.18Å; D104-Q128 PolarHBondContact OD2-NE2 3.14Å; K126-Q128 PolarHBondContact O-N 3.38Å |
| 129 | R | 75.8 | Confident | 66.5 | Low | 146 Ų | 146 | 135.3 Ų | 135.3 | 55% | 0.551 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 123.1 | 178.9 | -64 | -179.3 | 77 | 162.2 | 4 | 108.4 | Y101 Y102 K127 | Y101-R129 WeakPolarHBondContact CA-O 3.22Å; Y102-R129 HydrophobicContact CD2-CB 4.16Å; Y102-R129 PolarHBondContact N-O 2.82Å; K127-R129 PolarHBondContact O-N 3.46Å |
| 130 | R | 81.7 | Confident | 68.6 | Low | 152 Ų | 152 | 129.1 Ų | 129.1 | 57% | 0.574 | 61% | 0.609 | S | S | * | * | B | Isolated β-bridge | trans | -67.6 | 139.1 | 174.3 | -69.2 | -179.8 | 67.9 | -164.4 | -1.9 | 109 | Y101 P132 | Y101-R130 HydrophobicContact CD1-CB 4.4Å; Y101-R130 HydrophobicContact CD1-CG 3.69Å; Y101-R130 HydrophobicContact CE1-CB 4.35Å; Y101-R130 HydrophobicContact CE1-CG 3.2Å; Y101-R130 HydrophobicContact CE2-CG 4.48Å; R130-P132 WeakPolarHBondContact O-CD 3.41Å |
| 131 | I | 80.4 | Confident | 70.7 | Confident | 59 Ų | 59 | 125.7 Ų | 125.7 | 30% | 0.303 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -73 | 124.1 | 168.5 | -66.6 | 163.8 | 0 | 0 | 0 | 106.4 | K100 Y101 Y102 T133 | K100-I131 HydrophobicContact CB-CB 4.25Å; K100-I131 HydrophobicContact CB-CD1 3.76Å; K100-I131 HydrophobicContact CB-CG1 4.46Å; K100-I131 PolarHBondContact O-N 2.93Å; Y101-I131 WeakPolarHBondContact O-CD1 3.33Å; Y102-I131 HydrophobicContact CD1-CD1 4.39Å; Y102-I131 HydrophobicContact CD1-CG1 3.94Å; Y102-I131 HydrophobicContact CD2-CG1 3.6Å; Y102-I131 HydrophobicContact CE1-CG1 3.91Å; Y102-I131 HydrophobicContact CE2-CB 4.15Å; Y102-I131 HydrophobicContact CE2-CG1 3.57Å; Y102-I131 HydrophobicContact CG-CD1 4.47Å; Y102-I131 HydrophobicContact CG-CG1 3.79Å; I131-T133 PolarHBondContact O-N 3.32Å |
| 132 | P | 78.6 | Confident | 72.9 | Confident | 39 Ų | 39 | 125.2 Ų | 125.2 | 25% | 0.253 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 135.2 | 175.6 | -28.1 | 36.1 | 0 | 0 | 0 | 110.8 | R130 E136 L137 | R130-P132 WeakPolarHBondContact O-CD 3.41Å; P132-E136 WeakPolarHBondContact CA-OE2 3.5Å; P132-E136 HydrophobicContact CB-CB 3.96Å; P132-E136 HydrophobicContact CB-CG 3.99Å; P132-L137 HydrophobicContact CB-CD2 3.98Å |
| 133 | T | 78.8 | Confident | 75.1 | Confident | 60 Ų | 60 | 120.7 Ų | 120.7 | 37% | 0.368 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 161.1 | 171.2 | 44.4 | 0 | 0 | 0 | 0 | 109.8 | I131 D135 E136 L137 | I131-T133 PolarHBondContact O-N 3.32Å; T133-D135 PolarHBondContact O-N 3.28Å; T133-D135 VanDerWaalsContact O-N 3.15Å; T133-E136 WeakPolarHBondContact O-CA 3.49Å; T133-E136 WeakPolarHBondContact O-CB 3.22Å; T133-E136 PolarHBondContact O-N 3.3Å; T133-L137 PolarHBondContact O-N 3.42Å |
| 134 | N | 74.9 | Confident | 77 | Confident | 63 Ų | 63 | 116.4 Ų | 116.4 | 34% | 0.337 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -50.8 | -41.9 | 178.6 | -169.8 | -16.5 | 0 | 0 | 0 | 111.3 | E136 L137 P141 | N134-E136 PolarHBondContact O-N 3.45Å; N134-E136 VanDerWaalsContact O-N 3.09Å; N134-L137 WeakPolarHBondContact O-CB 3.47Å; N134-L137 PolarHBondContact O-N 2.89Å; N134-P141 WeakPolarHBondContact ND2-CG 3.49Å; N134-P141 WeakPolarHBondContact OD1-CD 3.1Å |
| 135 | D | 71.1 | Confident | 78.8 | Confident | 161 Ų | 161 | 113 Ų | 113 | 86% | 0.861 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -65.4 | -12 | 177.3 | -52.5 | -31.9 | 0 | 0 | 0 | 115.1 | T133 | T133-D135 PolarHBondContact O-N 3.28Å; T133-D135 VanDerWaalsContact O-N 3.15Å |
| 136 | E | 75.9 | Confident | 80.3 | Confident | 130 Ų | 130 | 110.5 Ų | 110.5 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -100.8 | -10.8 | 176 | -169.3 | -179.9 | 176 | 0 | 0 | 111.6 | P132 T133 N134 | P132-E136 WeakPolarHBondContact CA-OE2 3.5Å; P132-E136 HydrophobicContact CB-CB 3.96Å; P132-E136 HydrophobicContact CB-CG 3.99Å; T133-E136 WeakPolarHBondContact O-CA 3.49Å; T133-E136 WeakPolarHBondContact O-CB 3.22Å; T133-E136 PolarHBondContact O-N 3.3Å; N134-E136 PolarHBondContact O-N 3.45Å; N134-E136 VanDerWaalsContact O-N 3.09Å |
| 137 | L | 82.5 | Confident | 81.7 | Confident | 53 Ų | 53 | 109.3 Ų | 109.3 | 28% | 0.277 | 52% | 0.521 | S | S | . | . | trans | -78.2 | 131.3 | 176.2 | -62.1 | 175.1 | 0 | 0 | 0 | 109.9 | P132 T133 N134 Y139 P141 | P132-L137 HydrophobicContact CB-CD2 3.98Å; T133-L137 PolarHBondContact O-N 3.42Å; N134-L137 WeakPolarHBondContact O-CB 3.47Å; N134-L137 PolarHBondContact O-N 2.89Å; L137-Y139 HydrophobicContact CB-CD1 4.36Å; L137-Y139 HydrophobicContact CB-CE1 4.4Å; L137-Y139 WeakPolarHBondContact CB-O 3.4Å; L137-Y139 HydrophobicContact CD1-CE2 4.43Å; L137-Y139 HydrophobicContact CD2-CE1 4.1Å; L137-Y139 PolarHBondContact O-N 3.49Å; L137-Y139 VanDerWaalsContact O-N 3.09Å; L137-P141 HydrophobicContact CD1-CG 4.04Å | ||
| 138 | L | 81.9 | Confident | 82.8 | Confident | 189 Ų | 189 | 104.6 Ų | 104.6 | 99% | 0.99 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -67.9 | -0.3 | 170.4 | -74 | 145.5 | 0 | 0 | 0 | 113 | ||
| 139 | Y | 83 | Confident | 83.8 | Confident | 155 Ų | 155 | 102.9 Ų | 102.9 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -137.3 | 147.4 | 175.6 | 69.4 | -86 | 0 | 0 | 0 | 109.8 | L137 P141 | L137-Y139 HydrophobicContact CB-CD1 4.36Å; L137-Y139 HydrophobicContact CB-CE1 4.4Å; L137-Y139 WeakPolarHBondContact CB-O 3.4Å; L137-Y139 HydrophobicContact CD1-CE2 4.43Å; L137-Y139 HydrophobicContact CD2-CE1 4.1Å; L137-Y139 PolarHBondContact O-N 3.49Å; L137-Y139 VanDerWaalsContact O-N 3.09Å; Y139-P141 HydrophobicContact CE2-CB 4.18Å; Y139-P141 WeakPolarHBondContact O-CD 3.3Å |
| 140 | D | 84.8 | Confident | 84.4 | Confident | 54 Ų | 54 | 103.4 Ų | 103.4 | 29% | 0.289 | 51% | 0.505 | S | S | . | . | trans | -87.4 | 111.3 | 175.6 | 174.1 | 7.1 | 0 | 0 | 0 | 109.7 | E142 K143 R146 | D140-E142 PolarHBondContact O-N 2.81Å; D140-E142 WeakPolarHBondContact OD1-CB 3.42Å; D140-E142 PolarHBondContact OD1-N 2.93Å; D140-K143 HydrophobicContact CB-CB 4.01Å; D140-K143 WeakPolarHBondContact O-CB 3.17Å; D140-K143 PolarHBondContact O-N 2.87Å; D140-K143 PolarHBondContact OD1-N 2.99Å; D140-R146 IonicContact OD2-CZ 3.64Å; D140-R146 IonicContact OD2-NE 2.69Å; D140-R146 IonicContact OD2-NH2 3.45Å; D140-R146 PolarHBondContact OD2-NH2 3.27Å | ||
| 141 | P | 87.4 | Confident | 84.8 | Confident | 55 Ų | 55 | 98 Ų | 98 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.9 | -180 | 30.4 | -35.2 | 0 | 0 | 0 | 113.4 | N134 L137 Y139 | N134-P141 WeakPolarHBondContact ND2-CG 3.49Å; N134-P141 WeakPolarHBondContact OD1-CD 3.1Å; L137-P141 HydrophobicContact CD1-CG 4.04Å; Y139-P141 HydrophobicContact CE2-CB 4.18Å; Y139-P141 WeakPolarHBondContact O-CD 3.3Å |
| 142 | E | 88.3 | Confident | 85.2 | Confident | 114 Ų | 114 | 96.5 Ų | 96.5 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -9.3 | 178.7 | -65.3 | -177.4 | -169.2 | 0 | 0 | 113.1 | D140 D144 N145 R146 | D140-E142 PolarHBondContact O-N 2.81Å; D140-E142 WeakPolarHBondContact OD1-CB 3.42Å; D140-E142 PolarHBondContact OD1-N 2.93Å; E142-D144 PolarHBondContact O-N 2.96Å; E142-N145 WeakPolarHBondContact O-CB 3.45Å; E142-N145 PolarHBondContact O-N 2.69Å; E142-N145 VanDerWaalsContact O-N 3.16Å; E142-R146 WeakPolarHBondContact O-CG 3.29Å; E142-R146 PolarHBondContact O-N 3.3Å |
| 143 | K | 88.6 | Confident | 85.7 | Confident | 110 Ų | 110 | 97.1 Ų | 97.1 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.6 | -48.7 | -177.3 | -172.2 | 176.1 | 178.8 | -177.5 | 0 | 112.1 | D140 N145 R146 D147 | D140-K143 HydrophobicContact CB-CB 4.01Å; D140-K143 WeakPolarHBondContact O-CB 3.17Å; D140-K143 PolarHBondContact O-N 2.87Å; D140-K143 PolarHBondContact OD1-N 2.99Å; K143-N145 VanDerWaalsContact C-N 3.27Å; K143-N145 PolarHBondContact O-N 2.87Å; K143-R146 WeakPolarHBondContact O-CB 3.35Å; K143-R146 PolarHBondContact O-N 2.88Å; K143-R146 VanDerWaalsContact O-N 3.09Å; K143-D147 PolarHBondContact O-N 3.48Å |
| 144 | D | 89.9 | Confident | 86.1 | Confident | 124 Ų | 124 | 97.7 Ų | 97.7 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -38 | 179.1 | -64.8 | -8.6 | 0 | 0 | 0 | 111.7 | E142 D147 Q148 | E142-D144 PolarHBondContact O-N 2.96Å; D144-D147 PolarHBondContact O-N 3.21Å; D144-Q148 VanDerWaalsContact O-CB 3.31Å; D144-Q148 WeakPolarHBondContact O-CB 3.18Å; D144-Q148 PolarHBondContact O-N 3.16Å |
| 145 | N | 91.9 | Very high | 86.7 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 177 | -66.8 | -42.7 | 0 | 0 | 0 | 111.7 | E142 K143 A149 | E142-N145 WeakPolarHBondContact O-CB 3.45Å; E142-N145 PolarHBondContact O-N 2.69Å; E142-N145 VanDerWaalsContact O-N 3.16Å; K143-N145 VanDerWaalsContact C-N 3.27Å; K143-N145 PolarHBondContact O-N 2.87Å; N145-A149 WeakPolarHBondContact O-CB 3.5Å; N145-A149 PolarHBondContact O-N 3.42Å |
| 146 | R | 92.3 | Very high | 87.4 | Confident | 150 Ų | 150 | 92 Ų | 92 | 57% | 0.566 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 175.6 | -70.2 | -168.9 | -70.6 | 146.6 | -8 | 111.2 | D140 E142 K143 A149 W150 | D140-R146 IonicContact OD2-CZ 3.64Å; D140-R146 IonicContact OD2-NE 2.69Å; D140-R146 IonicContact OD2-NH2 3.45Å; D140-R146 PolarHBondContact OD2-NH2 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.29Å; E142-R146 PolarHBondContact O-N 3.3Å; K143-R146 WeakPolarHBondContact O-CB 3.35Å; K143-R146 PolarHBondContact O-N 2.88Å; K143-R146 VanDerWaalsContact O-N 3.09Å; R146-A149 PolarHBondContact O-N 3.09Å; R146-W150 PolarHBondContact O-N 3.44Å |
| 147 | D | 91 | Very high | 87.7 | Confident | 84 Ų | 84 | 87.3 Ų | 87.3 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 179.3 | -69.1 | -10.4 | 0 | 0 | 0 | 110.8 | K143 D144 A149 W150 V151 | K143-D147 PolarHBondContact O-N 3.48Å; D144-D147 PolarHBondContact O-N 3.21Å; D147-A149 PolarHBondContact O-N 3.26Å; D147-W150 WeakPolarHBondContact O-CB 3.49Å; D147-W150 PolarHBondContact O-N 3.31Å; D147-V151 WeakPolarHBondContact O-CG2 3.23Å; D147-V151 PolarHBondContact O-N 2.86Å |
| 148 | Q | 89.6 | Confident | 87.7 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 173.7 | -174.8 | 62.9 | 56.5 | 0 | 0 | 111.8 | D144 W150 V151 D152 | D144-Q148 VanDerWaalsContact O-CB 3.31Å; D144-Q148 WeakPolarHBondContact O-CB 3.18Å; D144-Q148 PolarHBondContact O-N 3.16Å; Q148-W150 VanDerWaalsContact C-N 3.27Å; Q148-W150 PolarHBondContact O-N 3.49Å; Q148-V151 PolarHBondContact O-N 3.28Å; Q148-D152 PolarHBondContact NE2-OD1 2.83Å; Q148-D152 WeakPolarHBondContact O-CB 3.34Å; Q148-D152 PolarHBondContact O-N 3.4Å |
| 149 | A | 90.8 | Very high | 87.2 | Confident | 51 Ų | 51 | 81.2 Ų | 81.2 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.6 | -35.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N145 R146 D147 A153 | N145-A149 WeakPolarHBondContact O-CB 3.5Å; N145-A149 PolarHBondContact O-N 3.42Å; R146-A149 PolarHBondContact O-N 3.09Å; D147-A149 PolarHBondContact O-N 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 3.38Å |
| 150 | W | 90.1 | Very high | 86.4 | Confident | 157 Ų | 157 | 76.7 Ų | 76.7 | 60% | 0.595 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.8 | -47.6 | 175 | -178.4 | 91.7 | 0 | 0 | 0 | 111.9 | R146 D147 Q148 D152 A153 Q154 | R146-W150 PolarHBondContact O-N 3.44Å; D147-W150 WeakPolarHBondContact O-CB 3.49Å; D147-W150 PolarHBondContact O-N 3.31Å; Q148-W150 VanDerWaalsContact C-N 3.27Å; Q148-W150 PolarHBondContact O-N 3.49Å; W150-D152 VanDerWaalsContact C-N 3.3Å; W150-D152 PolarHBondContact O-N 2.86Å; W150-A153 WeakPolarHBondContact O-CB 3.41Å; W150-A153 PolarHBondContact O-N 3.24Å; W150-A153 VanDerWaalsContact O-N 3.14Å; W150-Q154 PolarHBondContact O-N 3.33Å |
| 151 | V | 89.6 | Confident | 85.1 | Confident | 37 Ų | 37 | 82.9 Ų | 82.9 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 175.3 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | D147 Q148 A153 Q154 R155 L191 | D147-V151 WeakPolarHBondContact O-CG2 3.23Å; D147-V151 PolarHBondContact O-N 2.86Å; Q148-V151 PolarHBondContact O-N 3.28Å; V151-A153 VanDerWaalsContact C-N 3.33Å; V151-A153 PolarHBondContact O-N 3.1Å; V151-Q154 PolarHBondContact O-N 2.92Å; V151-R155 HydrophobicContact CG1-CG 4.49Å; V151-R155 WeakPolarHBondContact O-CG 3.47Å; V151-R155 PolarHBondContact O-N 3.09Å; V151-L191 HydrophobicContact CG1-CD1 4.31Å |
| 152 | D | 88.7 | Confident | 83.5 | Confident | 29 Ų | 29 | 83.1 Ų | 83.1 | 16% | 0.155 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 177.5 | -71.6 | -5.7 | 0 | 0 | 0 | 112.2 | Q148 W150 R155 R156 V173 | Q148-D152 PolarHBondContact NE2-OD1 2.83Å; Q148-D152 WeakPolarHBondContact O-CB 3.34Å; Q148-D152 PolarHBondContact O-N 3.4Å; W150-D152 VanDerWaalsContact C-N 3.3Å; W150-D152 PolarHBondContact O-N 2.86Å; D152-R155 IonicContact OD1-CZ 3.12Å; D152-R155 IonicContact OD1-NE 2.68Å; D152-R155 IonicContact OD1-NH2 2.68Å; D152-R155 PolarHBondContact OD1-NH2 3.21Å; D152-R156 WeakPolarHBondContact O-CB 3.29Å; D152-R156 VanDerWaalsContact O-CG 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.4Å; D152-R156 PolarHBondContact O-N 3.09Å; D152-R156 PolarHBondContact O-NE 3.31Å; D152-V173 HydrophobicContact CB-CG2 4.07Å; D152-V173 VanDerWaalsContact OD1-CG2 3.31Å; D152-V173 WeakPolarHBondContact OD1-CG2 3.4Å |
| 153 | A | 88.1 | Confident | 81.8 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A149 W150 V151 R156 G157 | A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 3.38Å; W150-A153 WeakPolarHBondContact O-CB 3.41Å; W150-A153 PolarHBondContact O-N 3.24Å; W150-A153 VanDerWaalsContact O-N 3.14Å; V151-A153 VanDerWaalsContact C-N 3.33Å; V151-A153 PolarHBondContact O-N 3.1Å; A153-R156 PolarHBondContact O-N 2.84Å; A153-G157 PolarHBondContact O-N 3.32Å |
| 154 | Q | 87.5 | Confident | 79.9 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 34% | 0.336 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 176.2 | -171.9 | 73 | -44.4 | 0 | 0 | 111.3 | W150 V151 R156 G157 Y158 L191 | W150-Q154 PolarHBondContact O-N 3.33Å; V151-Q154 PolarHBondContact O-N 2.92Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.83Å; Q154-G157 PolarHBondContact O-N 3.4Å; Q154-G157 VanDerWaalsContact O-N 3.1Å; Q154-Y158 HydrophobicContact CG-CE2 4.01Å; Q154-Y158 PolarHBondContact O-N 2.78Å; Q154-L191 HydrophobicContact CG-CD1 4.28Å |
| 155 | R | 88.3 | Confident | 78.3 | Confident | 24 Ų | 24 | 89 Ų | 89 | 9% | 0.091 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 174.8 | -69.9 | -169.5 | -65.3 | -176.8 | 0.6 | 111.8 | V151 D152 G157 Y158 H159 V173 S176 L191 D192 | V151-R155 HydrophobicContact CG1-CG 4.49Å; V151-R155 WeakPolarHBondContact O-CG 3.47Å; V151-R155 PolarHBondContact O-N 3.09Å; D152-R155 IonicContact OD1-CZ 3.12Å; D152-R155 IonicContact OD1-NE 2.68Å; D152-R155 IonicContact OD1-NH2 2.68Å; D152-R155 PolarHBondContact OD1-NH2 3.21Å; R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.91Å; R155-Y158 WeakPolarHBondContact O-CB 3.36Å; R155-Y158 PolarHBondContact O-N 2.95Å; R155-H159 PolarHBondContact O-CD2 2.87Å; R155-H159 PolarHBondContact O-N 2.71Å; R155-V173 HydrophobicContact CB-CG1 4.37Å; R155-V173 VanDerWaalsContact NH2-CG2 3.33Å; R155-S176 PolarHBondContact NH1-OG 3.15Å; R155-L191 HydrophobicContact CG-CB 4.33Å; R155-D192 HydrophobicContact CG-CB 4.32Å |
| 156 | R | 86.1 | Confident | 76.2 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 174.3 | -79.6 | -177.8 | -75.3 | -100.6 | -0.7 | 112.4 | D152 A153 Q154 Y158 H159 A160 V173 | D152-R156 WeakPolarHBondContact O-CB 3.29Å; D152-R156 VanDerWaalsContact O-CG 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.4Å; D152-R156 PolarHBondContact O-N 3.09Å; D152-R156 PolarHBondContact O-NE 3.31Å; A153-R156 PolarHBondContact O-N 2.84Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.83Å; R156-Y158 VanDerWaalsContact C-N 3.26Å; R156-Y158 PolarHBondContact O-N 3.45Å; R156-H159 PolarHBondContact O-N 2.98Å; R156-A160 VanDerWaalsContact O-CB 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.28Å; R156-A160 PolarHBondContact O-N 3.31Å; R156-V173 HydrophobicContact CG-CG1 3.43Å; R156-V173 VanDerWaalsContact CG-CG1 3.43Å |
| 157 | G | 82.4 | Confident | 74.1 | Confident | 33 Ų | 33 | 91.4 Ų | 91.4 | 34% | 0.34 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A153 Q154 R155 | A153-G157 PolarHBondContact O-N 3.32Å; Q154-G157 PolarHBondContact O-N 3.4Å; Q154-G157 VanDerWaalsContact O-N 3.1Å; R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.91Å |
| 158 | Y | 80.6 | Confident | 72.4 | Confident | 39 Ų | 39 | 92.5 Ų | 92.5 | 15% | 0.153 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.1 | -60.8 | -31.6 | 0 | 0 | 0 | 113 | Q154 R155 R156 F207 M209 | Q154-Y158 HydrophobicContact CG-CE2 4.01Å; Q154-Y158 PolarHBondContact O-N 2.78Å; R155-Y158 WeakPolarHBondContact O-CB 3.36Å; R155-Y158 PolarHBondContact O-N 2.95Å; R156-Y158 VanDerWaalsContact C-N 3.26Å; R156-Y158 PolarHBondContact O-N 3.45Å; Y158-F207 VanDerWaalsContact CB-CD2 3.47Å; Y158-F207 HydrophobicContact CD1-CB 3.86Å; Y158-F207 AromaticContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CE1 4.46Å; Y158-F207 AromaticContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD2-CB 3.83Å; Y158-F207 HydrophobicContact CD2-CG 4.23Å; Y158-F207 HydrophobicContact CE1-CB 4.21Å; Y158-F207 HydrophobicContact CE2-CB 4.19Å; Y158-F207 HydrophobicContact CG-CB 3.68Å; Y158-F207 HydrophobicContact CG-CD1 4.04Å; Y158-F207 AromaticContact CG-CD2 3.97Å; Y158-F207 HydrophobicContact CG-CD2 3.97Å; Y158-F207 AromaticContact CG-CG 3.62Å; Y158-F207 HydrophobicContact CG-CG 3.62Å; Y158-F207 WeakPolarHBondContact O-CE2 3.49Å; Y158-F207 WeakPolarHBondContact O-CZ 3.41Å; Y158-M209 HydrophobicContact CE2-CE 4.41Å; Y158-M209 WeakPolarHBondContact OH-CE 3.47Å |
| 159 | H | 72.7 | Confident | 70.6 | Confident | 75 Ų | 75 | 97.1 Ų | 97.1 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.4 | -17.9 | -179.9 | -68.7 | -69.4 | 0 | 0 | 0 | 114.2 | R155 R156 F161 D192 | R155-H159 PolarHBondContact O-CD2 2.87Å; R155-H159 PolarHBondContact O-N 2.71Å; R156-H159 PolarHBondContact O-N 2.98Å; H159-F161 VanDerWaalsContact C-N 3.28Å; H159-F161 PolarHBondContact O-N 3.46Å; H159-D192 IonicContact CD2-OD2 2.71Å; H159-D192 IonicContact CE1-OD2 3.82Å; H159-D192 PolarHBondContact CE1-OD2 3.18Å; H159-D192 IonicContact NE2-OD2 3.76Å; H159-D192 PolarHBondContact NE2-OD2 2.87Å |
| 160 | A | 65.9 | Low | 69.1 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | R156 G162 | R156-A160 VanDerWaalsContact O-CB 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.28Å; R156-A160 PolarHBondContact O-N 3.31Å; A160-G162 PolarHBondContact O-N 2.87Å |
| 161 | F | 57.4 | Low | 67.7 | Low | 184 Ų | 184 | 101.4 Ų | 101.4 | 81% | 0.807 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -6.2 | 178.4 | -81.9 | -83.1 | 0 | 0 | 0 | 114.5 | H159 | H159-F161 VanDerWaalsContact C-N 3.28Å; H159-F161 PolarHBondContact O-N 3.46Å |
| 162 | G | 53.5 | Low | 66.5 | Low | 60 Ų | 60 | 105.3 Ų | 105.3 | 62% | 0.619 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -109.6 | -30.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | A160 | A160-G162 PolarHBondContact O-N 2.87Š|
| 163 | L | 53.6 | Low | 65.6 | Low | 123 Ų | 123 | 104.7 Ų | 104.7 | 64% | 0.644 | 54% | 0.541 | S | S | * | . | trans | -151.4 | 97.2 | -177.5 | -86 | 100.5 | 0 | 0 | 0 | 111.3 | R165 | L163-R165 PolarHBondContact O-N 3.07Š| ||
| 164 | Q | 48.3 | Very low | 65.2 | Low | 190 Ų | 190 | 105.9 Ų | 105.9 | 89% | 0.888 | 54% | 0.544 | S | S | * | . | trans | -68.5 | 94.7 | 162.4 | -69.9 | -165.6 | -9.1 | 0 | 0 | 109.1 | P166 | Q164-P166 WeakPolarHBondContact O-CD 3.28Š| ||
| 165 | R | 55.2 | Low | 64.9 | Low | 157 Ų | 157 | 109.9 Ų | 109.9 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | trans | -98.9 | 104.4 | 163 | -69.7 | -170.5 | -170.6 | -164.4 | 5.7 | 108.2 | L163 H167 | L163-R165 PolarHBondContact O-N 3.07Å; R165-H167 PolarHBondContact O-N 3.01Å | ||
| 166 | P | 48.6 | Very low | 64.8 | Low | 133 Ų | 133 | 110 Ų | 110 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 19.3 | -170.7 | 30.4 | -34.9 | 0 | 0 | 0 | 114.2 | Q164 | Q164-P166 WeakPolarHBondContact O-CD 3.28Š|
| 167 | H | 47.8 | Very low | 64.9 | Low | 182 Ų | 182 | 110 Ų | 110 | 84% | 0.843 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.6 | 15.3 | -172.5 | -150.3 | 62.2 | 0 | 0 | 0 | 117.1 | R165 K169 | R165-H167 PolarHBondContact O-N 3.01Å; H167-K169 PolarHBondContact O-N 3.33Å |
| 168 | Q | 55 | Low | 65.4 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | trans | -87.9 | 115 | 174.7 | -105.8 | 171.5 | -37.4 | 0 | 0 | 110.5 | Q170 | Q168-Q170 PolarHBondContact O-N 3.2Š| ||
| 169 | K | 52.6 | Low | 66 | Low | 196 Ų | 196 | 109 Ų | 109 | 85% | 0.852 | 57% | 0.57 | S | S | * | * | trans | -37 | 132 | 162.4 | -73.5 | 174.6 | 175.5 | 177.9 | 0 | 108.9 | H167 Q171 | H167-K169 PolarHBondContact O-N 3.33Å; K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 WeakPolarHBondContact O-CG 3.3Å; K169-Q171 PolarHBondContact O-N 3.46Å | ||
| 170 | Q | 59.9 | Low | 67.1 | Low | 169 Ų | 169 | 105.4 Ų | 105.4 | 79% | 0.79 | 55% | 0.553 | S | S | * | * | trans | -37.8 | 95.1 | -177.2 | -61.3 | -167 | -1.5 | 0 | 0 | 110.7 | Q168 | Q168-Q170 PolarHBondContact O-N 3.2Š| ||
| 171 | Q | 60.6 | Low | 68.5 | Low | 128 Ų | 128 | 103.7 Ų | 103.7 | 60% | 0.598 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 140.7 | 173.8 | -69.7 | -137.2 | -30 | 0 | 0 | 106.7 | K169 V173 | K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 WeakPolarHBondContact O-CG 3.3Å; K169-Q171 PolarHBondContact O-N 3.46Å; Q171-V173 PolarHBondContact O-N 2.9Å |
| 172 | P | 64 | Low | 70.4 | Confident | 119 Ų | 119 | 94.9 Ų | 94.9 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 132 | 173.9 | 23.6 | -31.8 | 0 | 0 | 0 | 107.9 | ||
| 173 | V | 70.7 | Confident | 72.3 | Confident | 17 Ų | 17 | 94 Ų | 94 | 10% | 0.103 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 144.6 | 173.7 | -85.1 | 0 | 0 | 0 | 0 | 108.8 | D152 R155 R156 Q171 N175 | D152-V173 HydrophobicContact CB-CG2 4.07Å; D152-V173 VanDerWaalsContact OD1-CG2 3.31Å; D152-V173 WeakPolarHBondContact OD1-CG2 3.4Å; R155-V173 HydrophobicContact CB-CG1 4.37Å; R155-V173 VanDerWaalsContact NH2-CG2 3.33Å; R156-V173 HydrophobicContact CG-CG1 3.43Å; R156-V173 VanDerWaalsContact CG-CG1 3.43Å; Q171-V173 PolarHBondContact O-N 2.9Å; V173-N175 PolarHBondContact O-N 2.8Å |
| 174 | P | 78.4 | Confident | 74.3 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 143.4 | 172.2 | -25 | 34 | 0 | 0 | 0 | 110.9 | S176 | P174-S176 PolarHBondContact O-N 2.8Š|
| 175 | N | 80.8 | Confident | 76.5 | Confident | 156 Ų | 156 | 84.5 Ų | 84.5 | 83% | 0.834 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 122.5 | 177.1 | -65.8 | -1.3 | 0 | 0 | 0 | 108.9 | V173 | V173-N175 PolarHBondContact O-N 2.8Š|
| 176 | S | 87 | Confident | 78.4 | Confident | 27 Ų | 27 | 82.6 Ų | 82.6 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 143.8 | 167.7 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | R155 P174 L191 D192 | R155-S176 PolarHBondContact NH1-OG 3.15Å; P174-S176 PolarHBondContact O-N 2.8Å; S176-L191 PolarHBondContact OG-O 2.93Å; S176-D192 WeakPolarHBondContact CB-OD1 3.47Å |
| 177 | D | 89.1 | Confident | 80.7 | Confident | 78 Ų | 78 | 78 Ų | 78 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -74.2 | -34.1 | -177.4 | -75.4 | -29.1 | 0 | 0 | 0 | 113.5 | C193 R195 H282 | D177-C193 PolarHBondContact N-O 2.72Å; D177-R195 HydrophobicContact CB-CB 4.24Å; D177-R195 WeakPolarHBondContact OD2-CB 3.33Å; D177-R195 PolarHBondContact OD2-N 2.78Å; D177-H282 PolarHBondContact O-ND1 3.33Å |
| 178 | A | 92.4 | Very high | 82.9 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.033 | 39% | 0.392 | C | S | . | . | trans | -158.7 | 161.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 C193 Y203 A280 S281 | A178-L180 HydrophobicContact CB-CD2 4.25Å; A178-C193 PolarHBondContact O-SG 3.05Å; A178-Y203 HydrophobicContact CB-CE1 3.9Å; A178-A280 HydrophobicContact CB-CB 4.03Å; A178-S281 WeakPolarHBondContact CA-O 3.37Å | ||
| 179 | V | 93.5 | Very high | 84.8 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 28% | 0.279 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.9 | 161.1 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | T188 L191 A280 S281 | V179-T188 HydrophobicContact CG1-CG2 3.82Å; V179-L191 HydrophobicContact CG1-CD2 4.09Å; V179-L191 HydrophobicContact CG2-CD2 4.37Å; V179-A280 WeakPolarHBondContact O-CA 3.3Å; V179-S281 PolarHBondContact N-O 3.36Å; V179-S281 PolarHBondContact O-N 3.12Å |
| 180 | L | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.1 | -177.7 | -52.5 | -177.4 | 0 | 0 | 0 | 110.7 | A178 L189 C190 C193 Y203 F275 V278 A280 | A178-L180 HydrophobicContact CB-CD2 4.25Å; L180-L189 PolarHBondContact O-N 3.47Å; L180-C190 HydrophobicContact CB-CB 4.03Å; L180-C190 HydrophobicContact CD1-CB 3.98Å; L180-C190 HydrophobicContact CG-CB 4.13Å; L180-C190 PolarHBondContact N-O 3.48Å; L180-C190 PolarHBondContact O-N 2.86Å; L180-C193 HydrophobicContact CD1-CB 3.92Å; L180-C193 HydrophobicContact CG-CB 4.27Å; L180-Y203 HydrophobicContact CD1-CG 4.19Å; L180-Y203 HydrophobicContact CD2-CD1 4.07Å; L180-Y203 HydrophobicContact CD2-CD2 3.65Å; L180-Y203 HydrophobicContact CD2-CE1 4.4Å; L180-Y203 HydrophobicContact CD2-CE2 4.01Å; L180-Y203 HydrophobicContact CD2-CG 3.69Å; L180-F275 HydrophobicContact CD1-CB 4.12Å; L180-F275 HydrophobicContact CD1-CD1 4.45Å; L180-F275 HydrophobicContact CD1-CD2 3.62Å; L180-F275 HydrophobicContact CD1-CE2 4.08Å; L180-F275 HydrophobicContact CD1-CG 3.81Å; L180-V278 HydrophobicContact CB-CB 4.49Å; L180-V278 HydrophobicContact CD1-CG2 4.43Å; L180-V278 HydrophobicContact CD2-CG2 4.08Å; L180-A280 HydrophobicContact CD2-CB 4.08Å |
| 181 | N | 95.7 | Very high | 88.3 | Confident | 24 Ų | 24 | 50 Ų | 50 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.1 | 178.8 | -60.7 | -45.5 | 0 | 0 | 0 | 111.1 | T187 T188 L279 S281 | N181-T187 CarbonylContact C-O 3.57Å; N181-T187 WeakPolarHBondContact CA-O 3.39Å; N181-T188 VanDerWaalsContact OD1-CA 3.31Å; N181-T188 WeakPolarHBondContact OD1-CA 3.31Å; N181-T188 PolarHBondContact OD1-OG1 3.02Å; N181-T188 VanDerWaalsContact OD1-OG1 3.14Å; N181-L279 HydrophobicContact CB-CB 4.35Å; N181-L279 PolarHBondContact N-O 2.83Å; N181-L279 PolarHBondContact O-N 2.72Å; N181-S281 PolarHBondContact ND2-OG 3.41Å |
| 182 | C | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -66.1 | 133.3 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | A184 C185 M186 T187 L189 C260 | C182-A184 VanDerWaalsContact C-N 3.28Å; C182-A184 PolarHBondContact O-N 3.19Å; C182-C185 VanDerWaalsContact CB-SG 3.59Å; C182-C185 VanDerWaalsContact SG-SG 3.62Å; C182-M186 WeakPolarHBondContact O-CA 3.29Å; C182-M186 PolarHBondContact O-N 3.22Å; C182-T187 PolarHBondContact N-O 3.41Å; C182-L189 HydrophobicContact CB-CD1 3.99Å; C182-L189 HydrophobicContact CB-CD2 4.17Å; C182-L189 HydrophobicContact CB-CG 4.16Å; C182-C260 PolarHBondContact SG-SG 3.49Å | ||
| 183 | P | 95 | Very high | 91 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.8 | -179.6 | 27.3 | -35.4 | 0 | 0 | 0 | 114 | T262 N277 L279 | P183-T262 HydrophobicContact CG-CG2 4.32Å; P183-N277 VanDerWaalsContact CD-O 3.29Å; P183-N277 WeakPolarHBondContact CD-O 3.37Å; P183-N277 WeakPolarHBondContact CG-O 3.28Å; P183-L279 HydrophobicContact CB-CG 4.32Å |
| 184 | A | 94.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 45 Ų | 45 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -44.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C182 C260 T262 | C182-A184 VanDerWaalsContact C-N 3.28Å; C182-A184 PolarHBondContact O-N 3.19Å; A184-C260 HydrophobicContact CB-CB 4.49Å; A184-T262 HydrophobicContact CB-CG2 4.48Å; A184-T262 WeakPolarHBondContact CB-OG1 3.49Å |
| 185 | C | 95.3 | Very high | 92.8 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 31% | 0.311 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 1 | -175.5 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | C182 T187 C260 | C182-C185 VanDerWaalsContact CB-SG 3.59Å; C182-C185 VanDerWaalsContact SG-SG 3.62Å; C185-T187 PolarHBondContact O-N 2.98Å; C185-T187 VanDerWaalsContact SG-CB 3.55Å; C185-T187 PolarHBondContact SG-OG1 3.4Å; C185-C260 HydrophobicContact CB-CB 4.01Å |
| 186 | M | 95.2 | Very high | 93.2 | Very high | 117 Ų | 117 | 40.6 Ų | 40.6 | 58% | 0.576 | 22% | 0.224 | S | C | * | . | trans | 59.1 | 7.1 | -177.4 | -58.7 | -71.1 | 167.1 | 0 | 0 | 115.3 | C182 T188 L279 | C182-M186 WeakPolarHBondContact O-CA 3.29Å; C182-M186 PolarHBondContact O-N 3.22Å; M186-T188 PolarHBondContact O-N 2.88Å; M186-L279 HydrophobicContact CE-CD1 3.27Å; M186-L279 HydrophobicContact SD-CD1 3.33Å; M186-L279 WeakPolarHBondContact SD-CD1 3.28Å | ||
| 187 | T | 95.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | trans | -61 | 135.2 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | N181 C182 C185 L189 N210 E259 | N181-T187 CarbonylContact C-O 3.57Å; N181-T187 WeakPolarHBondContact CA-O 3.39Å; C182-T187 PolarHBondContact N-O 3.41Å; C185-T187 PolarHBondContact O-N 2.98Å; C185-T187 VanDerWaalsContact SG-CB 3.55Å; C185-T187 PolarHBondContact SG-OG1 3.4Å; T187-L189 PolarHBondContact O-N 3Å; T187-N210 HydrophobicContact CG2-CB 3.73Å; T187-E259 HydrophobicContact CG2-CG 3.89Å | ||
| 188 | T | 94.3 | Very high | 93.2 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 125.1 | 176 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | V179 N181 M186 L191 M209 | V179-T188 HydrophobicContact CG1-CG2 3.82Å; N181-T188 VanDerWaalsContact OD1-CA 3.31Å; N181-T188 WeakPolarHBondContact OD1-CA 3.31Å; N181-T188 PolarHBondContact OD1-OG1 3.02Å; N181-T188 VanDerWaalsContact OD1-OG1 3.14Å; M186-T188 PolarHBondContact O-N 2.88Å; T188-L191 HydrophobicContact CG2-CD2 3.79Å; T188-L191 HydrophobicContact CG2-CG 4.4Å; T188-M209 HydrophobicContact CG2-SD 4.19Å; T188-M209 WeakPolarHBondContact O-CG 3.49Å |
| 189 | L | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -30.4 | -177.8 | -58.6 | 176.8 | 0 | 0 | 0 | 112.1 | L180 C182 T187 V208 M209 N210 C257 V264 F275 V278 | L180-L189 PolarHBondContact O-N 3.47Å; C182-L189 HydrophobicContact CB-CD1 3.99Å; C182-L189 HydrophobicContact CB-CD2 4.17Å; C182-L189 HydrophobicContact CB-CG 4.16Å; T187-L189 PolarHBondContact O-N 3Å; L189-V208 WeakPolarHBondContact O-CA 3.16Å; L189-M209 WeakPolarHBondContact CA-O 3.49Å; L189-M209 PolarHBondContact O-N 2.99Å; L189-M209 VanDerWaalsContact O-O 3.12Å; L189-N210 HydrophobicContact CD2-CB 4.39Å; L189-C257 HydrophobicContact CD2-CB 4.27Å; L189-V264 HydrophobicContact CD1-CB 3.9Å; L189-V264 HydrophobicContact CD1-CG1 3.81Å; L189-V264 HydrophobicContact CD1-CG2 3.98Å; L189-F275 HydrophobicContact CB-CE1 4.28Å; L189-F275 HydrophobicContact CD1-CE1 4.24Å; L189-V278 HydrophobicContact CD1-CG1 4.03Å |
| 190 | C | 93.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 134.6 | -178.3 | -172.5 | 0 | 0 | 0 | 0 | 112 | L180 D192 A205 F207 F275 | L180-C190 HydrophobicContact CB-CB 4.03Å; L180-C190 HydrophobicContact CD1-CB 3.98Å; L180-C190 HydrophobicContact CG-CB 4.13Å; L180-C190 PolarHBondContact N-O 3.48Å; L180-C190 PolarHBondContact O-N 2.86Å; C190-D192 VanDerWaalsContact SG-C 3.51Å; C190-D192 PolarHBondContact SG-N 2.96Å; C190-D192 VanDerWaalsContact SG-N 3.41Å; C190-D192 PolarHBondContact SG-O 3.18Å; C190-A205 VanDerWaalsContact SG-CB 3.57Å; C190-F207 PolarHBondContact SG-O 3.38Å; C190-F275 HydrophobicContact CB-CE2 4.45Å |
| 191 | L | 92.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -100.2 | -15 | 175.4 | -64.2 | 176.6 | 0 | 0 | 0 | 113.2 | V151 Q154 R155 S176 V179 T188 M209 | V151-L191 HydrophobicContact CG1-CD1 4.31Å; Q154-L191 HydrophobicContact CG-CD1 4.28Å; R155-L191 HydrophobicContact CG-CB 4.33Å; S176-L191 PolarHBondContact OG-O 2.93Å; V179-L191 HydrophobicContact CG1-CD2 4.09Å; V179-L191 HydrophobicContact CG2-CD2 4.37Å; T188-L191 HydrophobicContact CG2-CD2 3.79Å; T188-L191 HydrophobicContact CG2-CG 4.4Å; L191-M209 HydrophobicContact CB-CE 4.29Å; L191-M209 HydrophobicContact CD1-CE 3.55Å; L191-M209 HydrophobicContact CD1-SD 4.34Å; L191-M209 HydrophobicContact CG-CE 3.56Å; L191-M209 HydrophobicContact CG-SD 4.21Å |
| 192 | D | 91.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -138.1 | 101 | -177.2 | -168.5 | 8.6 | 0 | 0 | 0 | 110.8 | R155 H159 S176 C190 | R155-D192 HydrophobicContact CG-CB 4.32Å; H159-D192 IonicContact CD2-OD2 2.71Å; H159-D192 IonicContact CE1-OD2 3.82Å; H159-D192 PolarHBondContact CE1-OD2 3.18Å; H159-D192 IonicContact NE2-OD2 3.76Å; H159-D192 PolarHBondContact NE2-OD2 2.87Å; S176-D192 WeakPolarHBondContact CB-OD1 3.47Å; C190-D192 VanDerWaalsContact SG-C 3.51Å; C190-D192 PolarHBondContact SG-N 2.96Å; C190-D192 VanDerWaalsContact SG-N 3.41Å; C190-D192 PolarHBondContact SG-O 3.18Å |
| 193 | C | 91.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.034 | 35% | 0.346 | C | S | . | . | trans | -134.8 | 154 | -179.1 | 73.3 | 0 | 0 | 0 | 0 | 111.4 | D177 A178 L180 Y203 R204 A205 | D177-C193 PolarHBondContact N-O 2.72Å; A178-C193 PolarHBondContact O-SG 3.05Å; L180-C193 HydrophobicContact CD1-CB 3.92Å; L180-C193 HydrophobicContact CG-CB 4.27Å; C193-Y203 VanDerWaalsContact SG-CD1 3.59Å; C193-R204 WeakPolarHBondContact CA-O 3.25Å; C193-A205 HydrophobicContact CB-CB 4.23Å | ||
| 194 | Q | 92.1 | Very high | 92.3 | Very high | 127 Ų | 127 | 69.7 Ų | 69.7 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.3 | 172.4 | -173.2 | -179.7 | 15.4 | 0 | 0 | 108.9 | Y203 R204 | Q194-Y203 CarbonylContact O-C 3.57Å; Q194-Y203 WeakPolarHBondContact O-CA 3.49Å; Q194-R204 PolarHBondContact N-O 2.83Å; Q194-R204 PolarHBondContact O-N 3.2Å |
| 195 | R | 93 | Very high | 92.2 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.1 | 176.6 | -167.6 | -176.4 | -163.2 | 172.5 | 14.3 | 110.5 | D177 K200 Y203 | D177-R195 HydrophobicContact CB-CB 4.24Å; D177-R195 WeakPolarHBondContact OD2-CB 3.33Å; D177-R195 PolarHBondContact OD2-N 2.78Å; R195-K200 VanDerWaalsContact CZ-O 3.3Å; R195-K200 PolarHBondContact NE-O 2.93Å; R195-K200 VanDerWaalsContact NH2-CB 3.26Å; R195-K200 PolarHBondContact NH2-O 2.97Å; R195-Y203 HydrophobicContact CB-CD1 4.06Å; R195-Y203 HydrophobicContact CB-CE1 3.92Å; R195-Y203 HydrophobicContact CG-CD1 4.24Å; R195-Y203 HydrophobicContact CG-CE1 3.82Å |
| 196 | H | 90.6 | Very high | 92 | Very high | 47 Ų | 47 | 70 Ų | 70 | 22% | 0.218 | 34% | 0.34 | C | S | . | . | trans | -68.3 | 136 | 176.1 | -168.9 | -95.2 | 0 | 0 | 0 | 111.3 | S198 Y199 Q202 | H196-S198 PolarHBondContact ND1-N 3.05Å; H196-S198 PolarHBondContact O-N 3.06Å; H196-Y199 AromaticContact CE1-CD2 3.74Å; H196-Y199 AromaticContact ND1-CD2 3.58Å; H196-Y199 PolarHBondContact ND1-N 3.24Å; H196-Y199 CarbonylContact O-C 3.59Å; H196-Y199 PolarHBondContact O-N 3.22Å; H196-Q202 HydrophobicContact CB-CB 3.92Å; H196-Q202 WeakPolarHBondContact CB-O 3.41Å; H196-Q202 PolarHBondContact N-O 3.34Å | ||
| 197 | E | 88.2 | Confident | 91.8 | Very high | 186 Ų | 186 | 67.6 Ų | 67.6 | 87% | 0.869 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61.7 | -45.6 | -175.7 | -66.3 | -176.9 | 176.8 | 0 | 0 | 112.5 | ||
| 198 | S | 88.5 | Confident | 91.7 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -82.9 | -28.8 | -177.6 | -48.5 | 0 | 0 | 0 | 0 | 113.3 | H196 | H196-S198 PolarHBondContact ND1-N 3.05Å; H196-S198 PolarHBondContact O-N 3.06Å |
| 199 | Y | 88.6 | Confident | 91.6 | Very high | 136 Ų | 136 | 66.8 Ų | 66.8 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | trans | -126.2 | 97.5 | -169.4 | -64.9 | -62.3 | 0 | 0 | 0 | 109.8 | H196 T201 Q202 | H196-Y199 AromaticContact CE1-CD2 3.74Å; H196-Y199 AromaticContact ND1-CD2 3.58Å; H196-Y199 PolarHBondContact ND1-N 3.24Å; H196-Y199 CarbonylContact O-C 3.59Å; H196-Y199 PolarHBondContact O-N 3.22Å; Y199-T201 PolarHBondContact O-N 2.96Å; Y199-Q202 PolarHBondContact O-N 3.39Å | ||
| 200 | K | 88.2 | Confident | 91.5 | Very high | 144 Ų | 144 | 69.7 Ų | 69.7 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.6 | -177.1 | -82.4 | -170.6 | -175.4 | -178.4 | 0 | 115.3 | R195 | R195-K200 VanDerWaalsContact CZ-O 3.3Å; R195-K200 PolarHBondContact NE-O 2.93Å; R195-K200 VanDerWaalsContact NH2-CB 3.26Å; R195-K200 PolarHBondContact NH2-O 2.97Å |
| 201 | T | 89.3 | Confident | 91.5 | Very high | 102 Ų | 102 | 71 Ų | 71 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -4.1 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 113 | Y199 | Y199-T201 PolarHBondContact O-N 2.96Š|
| 202 | Q | 92.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | trans | -106.2 | 145.3 | -179.8 | -64 | 175.7 | 11.8 | 0 | 0 | 110.3 | H196 Y199 F275 F276 | H196-Q202 HydrophobicContact CB-CB 3.92Å; H196-Q202 WeakPolarHBondContact CB-O 3.41Å; H196-Q202 PolarHBondContact N-O 3.34Å; Y199-Q202 PolarHBondContact O-N 3.39Å; Q202-F275 WeakPolarHBondContact CA-O 3.49Å; Q202-F275 WeakPolarHBondContact CB-O 3.08Å; Q202-F276 HydrophobicContact CG-CB 4.14Å | ||
| 203 | Y | 95.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.6 | -176.6 | -61.8 | -90.7 | 0 | 0 | 0 | 109.8 | A178 L180 C193 Q194 R195 F275 V278 A280 H282 | A178-Y203 HydrophobicContact CB-CE1 3.9Å; L180-Y203 HydrophobicContact CD1-CG 4.19Å; L180-Y203 HydrophobicContact CD2-CD1 4.07Å; L180-Y203 HydrophobicContact CD2-CD2 3.65Å; L180-Y203 HydrophobicContact CD2-CE1 4.4Å; L180-Y203 HydrophobicContact CD2-CE2 4.01Å; L180-Y203 HydrophobicContact CD2-CG 3.69Å; C193-Y203 VanDerWaalsContact SG-CD1 3.59Å; Q194-Y203 CarbonylContact O-C 3.57Å; Q194-Y203 WeakPolarHBondContact O-CA 3.49Å; R195-Y203 HydrophobicContact CB-CD1 4.06Å; R195-Y203 HydrophobicContact CB-CE1 3.92Å; R195-Y203 HydrophobicContact CG-CD1 4.24Å; R195-Y203 HydrophobicContact CG-CE1 3.82Å; Y203-F275 PolarHBondContact N-O 2.87Å; Y203-F275 PolarHBondContact O-N 3.27Å; Y203-V278 HydrophobicContact CD2-CG2 4.05Å; Y203-A280 HydrophobicContact CE1-CB 4.47Å; Y203-A280 HydrophobicContact CE2-CB 3.68Å; Y203-A280 VanDerWaalsContact OH-CB 3.22Å; Y203-A280 WeakPolarHBondContact OH-CB 3.1Å; Y203-H282 PolarHBondContact OH-CE1 2.91Å; Y203-H282 PolarHBondContact OH-NE2 3.07Å |
| 204 | R | 93.6 | Very high | 91.8 | Very high | 105 Ų | 105 | 74.8 Ų | 74.8 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.4 | 173.6 | -73.2 | 179.3 | 157.6 | -143.5 | -3.5 | 108.8 | C193 Q194 V272 F273 H274 | C193-R204 WeakPolarHBondContact CA-O 3.25Å; Q194-R204 PolarHBondContact N-O 2.83Å; Q194-R204 PolarHBondContact O-N 3.2Å; R204-V272 HydrophobicContact CB-CG1 4.2Å; R204-V272 HydrophobicContact CG-CG1 4.4Å; R204-F273 CarbonylContact C-O 3.57Å; R204-F273 VanDerWaalsContact CA-O 3.29Å; R204-F273 WeakPolarHBondContact CA-O 3.26Å; R204-H274 PolarHBondContact NE-NE2 3.02Å; R204-H274 PolarHBondContact NH2-NE2 3Å; R204-H274 VanDerWaalsContact NH2-NE2 3.11Å |
| 205 | A | 93.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 77.1 Ų | 77.1 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C190 C193 V208 F273 F275 | C190-A205 VanDerWaalsContact SG-CB 3.57Å; C193-A205 HydrophobicContact CB-CB 4.23Å; A205-V208 HydrophobicContact CB-CG1 4.43Å; A205-F273 PolarHBondContact N-O 3.38Å; A205-F273 WeakPolarHBondContact O-CB 3.4Å; A205-F273 PolarHBondContact O-N 3.22Å; A205-F275 HydrophobicContact CB-CD2 4.43Å; A205-F275 HydrophobicContact CB-CE2 3.97Å |
| 206 | M | 90.8 | Very high | 91.3 | Very high | 113 Ų | 113 | 81.5 Ų | 81.5 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -89.9 | -32.4 | 172 | -64.7 | -177.5 | -67 | 0 | 0 | 111.4 | ||
| 207 | F | 90.6 | Very high | 91 | Very high | 67 Ų | 67 | 84.2 Ų | 84.2 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | trans | -124.6 | 134.5 | -174.7 | -58.2 | -84.7 | 0 | 0 | 0 | 110.1 | Y158 C190 | Y158-F207 VanDerWaalsContact CB-CD2 3.47Å; Y158-F207 HydrophobicContact CD1-CB 3.86Å; Y158-F207 AromaticContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CE1 4.46Å; Y158-F207 AromaticContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD2-CB 3.83Å; Y158-F207 HydrophobicContact CD2-CG 4.23Å; Y158-F207 HydrophobicContact CE1-CB 4.21Å; Y158-F207 HydrophobicContact CE2-CB 4.19Å; Y158-F207 HydrophobicContact CG-CB 3.68Å; Y158-F207 HydrophobicContact CG-CD1 4.04Å; Y158-F207 AromaticContact CG-CD2 3.97Å; Y158-F207 HydrophobicContact CG-CD2 3.97Å; Y158-F207 AromaticContact CG-CG 3.62Å; Y158-F207 HydrophobicContact CG-CG 3.62Å; Y158-F207 WeakPolarHBondContact O-CE2 3.49Å; Y158-F207 WeakPolarHBondContact O-CZ 3.41Å; C190-F207 PolarHBondContact SG-O 3.38Å | ||
| 208 | V | 92.8 | Very high | 90.9 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 21% | 0.212 | 39% | 0.387 | C | S | . | . | trans | -133.6 | 154.7 | -177.6 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | L189 A205 C211 F273 F275 | L189-V208 WeakPolarHBondContact O-CA 3.16Å; A205-V208 HydrophobicContact CB-CG1 4.43Å; V208-C211 HydrophobicContact CB-CB 4.15Å; V208-C211 HydrophobicContact CG2-CB 3.71Å; V208-F273 HydrophobicContact CG1-CB 3.96Å; V208-F273 HydrophobicContact CG1-CD1 3.9Å; V208-F273 HydrophobicContact CG1-CD2 3.68Å; V208-F273 HydrophobicContact CG1-CE1 4.33Å; V208-F273 HydrophobicContact CG1-CE2 4.13Å; V208-F273 HydrophobicContact CG1-CG 3.56Å; V208-F273 HydrophobicContact CG1-CZ 4.44Å; V208-F273 HydrophobicContact CG2-CD1 4.05Å; V208-F273 HydrophobicContact CG2-CD2 4.22Å; V208-F273 HydrophobicContact CG2-CE1 3.64Å; V208-F273 HydrophobicContact CG2-CE2 3.81Å; V208-F273 HydrophobicContact CG2-CG 4.34Å; V208-F273 HydrophobicContact CG2-CZ 3.51Å; V208-F275 HydrophobicContact CB-CZ 4.35Å; V208-F275 HydrophobicContact CG1-CE2 3.66Å; V208-F275 HydrophobicContact CG1-CZ 3.49Å; V208-F275 VanDerWaalsContact CG1-CZ 3.49Å | ||
| 209 | M | 92.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 76.5 Ų | 76.5 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -124.3 | 155.1 | 171.7 | 59.6 | -167.7 | 70.5 | 0 | 0 | 108.9 | Y158 T188 L189 L191 C211 | Y158-M209 HydrophobicContact CE2-CE 4.41Å; Y158-M209 WeakPolarHBondContact OH-CE 3.47Å; T188-M209 HydrophobicContact CG2-SD 4.19Å; T188-M209 WeakPolarHBondContact O-CG 3.49Å; L189-M209 WeakPolarHBondContact CA-O 3.49Å; L189-M209 PolarHBondContact O-N 2.99Å; L189-M209 VanDerWaalsContact O-O 3.12Å; L191-M209 HydrophobicContact CB-CE 4.29Å; L191-M209 HydrophobicContact CD1-CE 3.55Å; L191-M209 HydrophobicContact CD1-SD 4.34Å; L191-M209 HydrophobicContact CG-CE 3.56Å; L191-M209 HydrophobicContact CG-SD 4.21Å; M209-C211 PolarHBondContact O-N 2.9Å; M209-C211 VanDerWaalsContact O-N 3.08Å; M209-C211 PolarHBondContact O-SG 3.12Å |
| 210 | N | 93.4 | Very high | 90.3 | Very high | 61 Ų | 61 | 77 Ų | 77 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 56 | 31.5 | 176.8 | -54.3 | 75.4 | 0 | 0 | 0 | 113.6 | T187 L189 C257 T258 E259 | T187-N210 HydrophobicContact CG2-CB 3.73Å; L189-N210 HydrophobicContact CD2-CB 4.39Å; N210-C257 WeakPolarHBondContact O-CA 3.42Å; N210-T258 VanDerWaalsContact C-OG1 3.28Å; N210-T258 VanDerWaalsContact CA-OG1 3.25Å; N210-T258 WeakPolarHBondContact CA-OG1 3.47Å; N210-T258 PolarHBondContact O-N 3.01Å; N210-T258 PolarHBondContact O-OG1 3.36Å; N210-E259 PolarHBondContact ND2-OE1 3.18Å |
| 211 | C | 93.8 | Very high | 89.4 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.5 | 179.6 | -74.4 | 0 | 0 | 0 | 0 | 110.7 | V208 M209 V255 M256 | V208-C211 HydrophobicContact CB-CB 4.15Å; V208-C211 HydrophobicContact CG2-CB 3.71Å; M209-C211 PolarHBondContact O-N 2.9Å; M209-C211 VanDerWaalsContact O-N 3.08Å; M209-C211 PolarHBondContact O-SG 3.12Å; C211-V255 HydrophobicContact CB-CG1 3.75Å; C211-M256 CarbonylContact C-O 3.54Å; C211-M256 WeakPolarHBondContact CA-O 3.34Å |
| 212 | S | 93.8 | Very high | 88.2 | Confident | 45 Ų | 45 | 82.1 Ų | 82.1 | 32% | 0.315 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.8 | 175 | 60.9 | 0 | 0 | 0 | 0 | 109.8 | V255 M256 | S212-V255 CarbonylContact O-C 3.57Å; S212-V255 WeakPolarHBondContact O-CA 3.39Å; S212-M256 PolarHBondContact N-O 3.25Å; S212-M256 PolarHBondContact O-N 3.47Å; S212-M256 PolarHBondContact OG-O 2.98Å; S212-M256 VanDerWaalsContact OG-O 3.07Å |
| 213 | V | 94.6 | Very high | 86.6 | Confident | 46 Ų | 46 | 83.1 Ų | 83.1 | 28% | 0.279 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | R215 H253 V255 Y267 F273 | V213-R215 HydrophobicContact CG1-CG 4.18Å; V213-R215 PolarHBondContact O-N 2.68Å; V213-H253 HydrophobicContact CG1-CB 3.81Å; V213-V255 HydrophobicContact CG1-CG2 4.47Å; V213-V255 HydrophobicContact CG2-CG2 4.13Å; V213-Y267 HydrophobicContact CG1-CD1 4.14Å; V213-Y267 HydrophobicContact CG1-CG 4.27Å; V213-Y267 HydrophobicContact CG2-CG 4.48Å; V213-F273 HydrophobicContact CG2-CE1 3.8Å; V213-F273 HydrophobicContact CG2-CZ 4.26Å |
| 214 | N | 91.8 | Very high | 84.8 | Confident | 39 Ų | 39 | 87.6 Ų | 87.6 | 21% | 0.209 | 42% | 0.417 | C | S | . | . | trans | -84.1 | 99.6 | 173.6 | -174.7 | -0.6 | 0 | 0 | 0 | 109.6 | E216 P254 M256 | N214-E216 VanDerWaalsContact C-N 3.28Å; N214-E216 WeakPolarHBondContact OD1-CB 3.18Å; N214-E216 PolarHBondContact OD1-N 3.41Å; N214-E216 VanDerWaalsContact OD1-N 3.08Å; N214-P254 HydrophobicContact CB-CG 4.26Å; N214-P254 PolarHBondContact N-O 2.85Å; N214-M256 HydrophobicContact CB-CE 4.34Å | ||
| 215 | R | 88.4 | Confident | 83 | Confident | 177 Ų | 177 | 89.4 Ų | 89.4 | 67% | 0.668 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -80.6 | -8 | 179.6 | -62.9 | -176.9 | -179.3 | -134.8 | -2.3 | 113.7 | V213 | V213-R215 HydrophobicContact CG1-CG 4.18Å; V213-R215 PolarHBondContact O-N 2.68Å |
| 216 | E | 85.9 | Confident | 81.1 | Confident | 184 Ų | 184 | 92.6 Ų | 92.6 | 86% | 0.86 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -78.5 | -30.9 | -180 | -56.2 | -178.1 | 174.1 | 0 | 0 | 111.2 | N214 | N214-E216 VanDerWaalsContact C-N 3.28Å; N214-E216 WeakPolarHBondContact OD1-CB 3.18Å; N214-E216 PolarHBondContact OD1-N 3.41Å; N214-E216 VanDerWaalsContact OD1-N 3.08Å |
| 217 | E | 84.1 | Confident | 79.4 | Confident | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | trans | -95.8 | 129.3 | 177.2 | -172 | 167.6 | -170.5 | 0 | 0 | 110.8 | P254 | E217-P254 HydrophobicContact CB-CG 3.9Å; E217-P254 HydrophobicContact CG-CG 4.08Å; E217-P254 WeakPolarHBondContact O-CD 3.42Å | ||
| 218 | V | 85.9 | Confident | 77.7 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 40% | 0.4 | 48% | 0.481 | S | S | . | . | trans | -119 | 111.4 | 179.5 | 167.6 | 0 | 0 | 0 | 0 | 109.2 | R220 I251 | V218-R220 HydrophobicContact CG1-CG 4.01Å; V218-I251 HydrophobicContact CB-CG2 4.47Å; V218-I251 HydrophobicContact CG1-CB 4.36Å; V218-I251 HydrophobicContact CG1-CG1 4.17Å; V218-I251 HydrophobicContact CG1-CG2 3.61Å; V218-I251 HydrophobicContact CG2-CG2 4.19Å | ||
| 219 | L | 83.1 | Confident | 75.9 | Confident | 49 Ų | 49 | 108.7 Ų | 108.7 | 26% | 0.257 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.8 | 171.7 | -67.1 | 166.3 | 0 | 0 | 0 | 109 | Y252 P254 V266 | L219-Y252 PolarHBondContact N-O 2.95Å; L219-Y252 PolarHBondContact O-N 2.68Å; L219-P254 HydrophobicContact CD1-CB 4.26Å; L219-P254 HydrophobicContact CD1-CG 4.46Å; L219-V266 HydrophobicContact CD1-CG1 3.91Å |
| 220 | R | 82 | Confident | 74 | Confident | 145 Ų | 145 | 115.5 Ų | 115.5 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.5 | 175.9 | -65 | -176.2 | -176.3 | -165.4 | -5.6 | 109.8 | V218 E249 | V218-R220 HydrophobicContact CG1-CG 4.01Å; R220-E249 IonicContact CZ-OE2 3.16Å; R220-E249 IonicContact NE-OE2 3.72Å; R220-E249 VanDerWaalsContact NH1-CD 3.34Å; R220-E249 IonicContact NH1-OE1 3.3Å; R220-E249 PolarHBondContact NH1-OE1 3.21Å; R220-E249 IonicContact NH1-OE2 2.64Å; R220-E249 PolarHBondContact NH1-OE2 3.07Å; R220-E249 IonicContact NH2-OE2 3.76Å |
| 221 | Y | 70.4 | Confident | 72.1 | Confident | 163 Ų | 163 | 123.4 Ų | 123.4 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | trans | -86 | 123.1 | 172.9 | -83.1 | -86.4 | 0 | 0 | 0 | 110.6 | N223 Y252 | Y221-N223 PolarHBondContact O-N 3.1Å; Y221-Y252 AromaticContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CE2 4.15Å | ||
| 222 | K | 63.5 | Low | 70 | Confident | 192 Ų | 192 | 125.1 Ų | 125.1 | 84% | 0.835 | 58% | 0.581 | S | S | * | * | trans | -83.4 | 105.3 | 170.4 | -71.6 | 179.2 | -178.9 | 168.9 | 0 | 108.5 | ||||
| 223 | N | 59.6 | Low | 68.1 | Low | 82 Ų | 82 | 126.5 Ų | 126.5 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | trans | -56.3 | 124.3 | 174.5 | -169.4 | -31 | 0 | 0 | 0 | 110 | Y221 E225 N226 | Y221-N223 PolarHBondContact O-N 3.1Å; N223-E225 PolarHBondContact O-N 2.82Å; N223-E225 VanDerWaalsContact O-N 3.15Å; N223-E225 PolarHBondContact OD1-N 3.01Å; N223-E225 VanDerWaalsContact OD1-N 3.12Å; N223-N226 PolarHBondContact O-N 3Å | ||
| 224 | P | 56.6 | Low | 66.2 | Low | 101 Ų | 101 | 134.1 Ų | 134.1 | 66% | 0.656 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -17.5 | -177.9 | 24.1 | -34.3 | 0 | 0 | 0 | 113.9 | N226 R227 | P224-N226 PolarHBondContact O-N 2.9Å; P224-R227 WeakPolarHBondContact O-CB 3.24Å; P224-R227 PolarHBondContact O-N 2.83Å; P224-R227 VanDerWaalsContact O-N 3.15Å |
| 225 | E | 55.8 | Low | 64.1 | Low | 143 Ų | 143 | 141.7 Ų | 141.7 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -28.1 | 174.9 | -65.2 | -150.7 | 130.7 | 0 | 0 | 112.8 | N223 R227 K228 | N223-E225 PolarHBondContact O-N 2.82Å; N223-E225 VanDerWaalsContact O-N 3.15Å; N223-E225 PolarHBondContact OD1-N 3.01Å; N223-E225 VanDerWaalsContact OD1-N 3.12Å; E225-R227 PolarHBondContact O-N 2.92Å; E225-K228 PolarHBondContact O-N 2.89Å |
| 226 | N | 53.3 | Low | 61.9 | Low | 72 Ų | 72 | 141.2 Ų | 141.2 | 39% | 0.385 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -72.3 | -13.6 | 178.3 | -72.3 | -14.8 | 0 | 0 | 0 | 113.4 | N223 P224 | N223-N226 PolarHBondContact O-N 3Å; P224-N226 PolarHBondContact O-N 2.9Å |
| 227 | R | 55 | Low | 60.4 | Low | 208 Ų | 208 | 144.5 Ų | 144.5 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74 | -26.8 | 175.8 | -118.2 | 178.8 | 172.5 | -175.4 | -1.9 | 112.9 | P224 E225 | P224-R227 WeakPolarHBondContact O-CB 3.24Å; P224-R227 PolarHBondContact O-N 2.83Å; P224-R227 VanDerWaalsContact O-N 3.15Å; E225-R227 PolarHBondContact O-N 2.92Å |
| 228 | K | 55.3 | Low | 58.4 | Low | 184 Ų | 184 | 144.2 Ų | 144.2 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.6 | -37.2 | 180 | -68.5 | -178.5 | -176.9 | 172.7 | 0 | 112.1 | E225 | E225-K228 PolarHBondContact O-N 2.89Å |
| 229 | K | 54.8 | Low | 56.6 | Low | 161 Ų | 161 | 149.1 Ų | 149.1 | 70% | 0.7 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.5 | -34.7 | 178.3 | -71.1 | 177.8 | 179.3 | 173 | 0 | 113 | R231 G232 | K229-R231 PolarHBondContact O-N 3.36Å; K229-G232 PolarHBondContact O-N 3.19Å |
| 230 | K | 53.1 | Low | 54.4 | Low | 178 Ų | 178 | 151.3 Ų | 151.3 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -72.6 | -20.4 | -178.1 | -135.5 | 171.9 | -171.2 | 168.7 | 0 | 114.9 | ||
| 231 | R | 52.8 | Low | 52.8 | Low | 227 Ų | 227 | 154.1 Ų | 154.1 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -82.3 | -18.8 | 176 | -64.6 | -177.9 | 85.6 | -178.6 | 5.2 | 113.2 | K229 | K229-R231 PolarHBondContact O-N 3.36Å |
| 232 | G | 49.8 | Very low | 51.2 | Low | 62 Ų | 62 | 148.8 Ų | 148.8 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -82.9 | -25.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K229 K234 | K229-G232 PolarHBondContact O-N 3.19Å; G232-K234 PolarHBondContact O-N 2.79Å |
| 233 | A | 55 | Low | 50.1 | Low | 74 Ų | 74 | 145.5 Ų | 145.5 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -80.9 | -5.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K235 | A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 2.77Å |
| 234 | K | 53.3 | Low | 49.3 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -81.3 | 4.5 | -177.3 | -146.4 | 174.5 | -176.9 | 177.5 | 0 | 114.3 | G232 | G232-K234 PolarHBondContact O-N 2.79Š|
| 235 | K | 48.9 | Very low | 48.6 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -111.1 | 1.8 | 179.8 | -152.4 | 178.8 | 175.6 | -178 | 0 | 115.9 | A233 | A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 2.77Å |
| 236 | M | 41.6 | Very low | 48 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | -136.3 | 100.9 | 168.9 | -95.2 | -161.9 | 162.9 | 0 | 0 | 111.7 | ||||
| 237 | R | 54.1 | Low | 47.9 | Very low | 252 Ų | 252 | 153.3 Ų | 153.3 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | -82 | 116.8 | 149.6 | -85.4 | -179.8 | 147.9 | -171.2 | -6.8 | 107.3 | ||||
| 238 | S | 42.7 | Very low | 48.1 | Very low | 97 Ų | 97 | 151.4 Ų | 151.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -173.3 | 119.4 | 134.6 | 37.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 239 | N | 47 | Very low | 48.6 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | 31.2 | 95.5 | 147.4 | -143.3 | 40.5 | 0 | 0 | 0 | 117.5 | ||||
| 240 | A | 38.5 | Very low | 49.6 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | trans | -152.2 | 107.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | G242 | A240-G242 VanDerWaalsContact C-N 3.33Å; A240-G242 PolarHBondContact O-N 2.96Å; A240-G242 VanDerWaalsContact O-N 3.09Å | ||
| 241 | E | 47.5 | Very low | 51.2 | Low | 204 Ų | 204 | 138.1 Ų | 138.1 | 95% | 0.953 | 73% | 0.725 | S | S | * | * | trans | -67.7 | 96.7 | 159.5 | -64.6 | -176.1 | 147.1 | 0 | 0 | 106.6 | ||||
| 242 | G | 38 | Very low | 53.1 | Low | 50 Ų | 50 | 128.5 Ų | 128.5 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | trans | -114.2 | 156 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A240 V244 | A240-G242 VanDerWaalsContact C-N 3.33Å; A240-G242 PolarHBondContact O-N 2.96Å; A240-G242 VanDerWaalsContact O-N 3.09Å; G242-V244 PolarHBondContact O-N 3.27Å | ||
| 243 | P | 39.8 | Very low | 55.1 | Low | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 67% | 0.667 | S | S | * | * | trans | -61.5 | 131.9 | -171.1 | 29.5 | -33.4 | 0 | 0 | 0 | 109 | E245 | P243-E245 PolarHBondContact O-N 3.11Š| ||
| 244 | V | 41.5 | Very low | 56.9 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -65.2 | 90.8 | 167.2 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | G242 T246 | G242-V244 PolarHBondContact O-N 3.27Å; V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 PolarHBondContact O-N 3.08Å | ||
| 245 | E | 42.3 | Very low | 58.9 | Low | 168 Ų | 168 | 114.3 Ų | 114.3 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | trans | -60.4 | 104.9 | 157.6 | -75.9 | -169.5 | 167.7 | 0 | 0 | 105.1 | P243 E247 | P243-E245 PolarHBondContact O-N 3.11Å; E245-E247 PolarHBondContact O-N 3.05Å | ||
| 246 | T | 42.8 | Very low | 61.1 | Low | 117 Ų | 117 | 107.8 Ų | 107.8 | 72% | 0.718 | 57% | 0.569 | S | S | * | * | trans | -58.6 | 91.5 | 169.7 | -25.6 | 0 | 0 | 0 | 0 | 105.7 | V244 E248 | V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 PolarHBondContact O-N 3.08Å; T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 3.05Å | ||
| 247 | E | 51.9 | Low | 63.8 | Low | 145 Ų | 145 | 99.8 Ų | 99.8 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | trans | -55.3 | 102.5 | 167 | -66.3 | -175.7 | -178.7 | 0 | 0 | 105 | E245 E249 | E245-E247 PolarHBondContact O-N 3.05Å; E247-E249 VanDerWaalsContact C-N 3.3Å; E247-E249 PolarHBondContact O-N 2.65Å | ||
| 248 | E | 58.7 | Low | 65.8 | Low | 169 Ų | 169 | 91.2 Ų | 91.2 | 79% | 0.79 | 51% | 0.506 | S | S | * | . | trans | -61.7 | 95 | -176.9 | -67.9 | 179.8 | 165.9 | 0 | 0 | 107.4 | T246 E250 | T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 3.05Å; E248-E250 PolarHBondContact O-N 3.32Å | ||
| 249 | E | 66.1 | Low | 68.3 | Low | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | trans | -55.7 | 113 | 171.2 | -85.4 | -179.5 | 139.5 | 0 | 0 | 106.8 | R220 E247 I251 K269 | R220-E249 IonicContact CZ-OE2 3.16Å; R220-E249 IonicContact NE-OE2 3.72Å; R220-E249 VanDerWaalsContact NH1-CD 3.34Å; R220-E249 IonicContact NH1-OE1 3.3Å; R220-E249 PolarHBondContact NH1-OE1 3.21Å; R220-E249 IonicContact NH1-OE2 2.64Å; R220-E249 PolarHBondContact NH1-OE2 3.07Å; R220-E249 IonicContact NH2-OE2 3.76Å; E247-E249 VanDerWaalsContact C-N 3.3Å; E247-E249 PolarHBondContact O-N 2.65Å; E249-I251 WeakPolarHBondContact O-CG1 3.47Å; E249-I251 PolarHBondContact O-N 2.87Å; E249-I251 VanDerWaalsContact O-N 3.09Å; E249-K269 WeakPolarHBondContact O-CE 3.2Å; E249-K269 PolarHBondContact O-NZ 2.99Å | ||
| 250 | E | 76.2 | Confident | 70.6 | Confident | 102 Ų | 102 | 85.9 Ų | 85.9 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | trans | -59.9 | 113 | 170.9 | -69.6 | 174.4 | -172.3 | 0 | 0 | 107.3 | E248 Y252 | E248-E250 PolarHBondContact O-N 3.32Å; E250-Y252 HydrophobicContact CB-CD2 4.3Å; E250-Y252 HydrophobicContact CB-CE2 3.46Å; E250-Y252 VanDerWaalsContact CB-CE2 3.46Å; E250-Y252 PolarHBondContact OE2-OH 3.34Å | ||
| 251 | I | 87.1 | Confident | 73.2 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 22% | 0.221 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.3 | -176.1 | -74.9 | 162 | 0 | 0 | 0 | 106 | V218 E249 | V218-I251 HydrophobicContact CB-CG2 4.47Å; V218-I251 HydrophobicContact CG1-CB 4.36Å; V218-I251 HydrophobicContact CG1-CG1 4.17Å; V218-I251 HydrophobicContact CG1-CG2 3.61Å; V218-I251 HydrophobicContact CG2-CG2 4.19Å; E249-I251 WeakPolarHBondContact O-CG1 3.47Å; E249-I251 PolarHBondContact O-N 2.87Å; E249-I251 VanDerWaalsContact O-N 3.09Å |
| 252 | Y | 91.3 | Very high | 75.5 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 10% | 0.098 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.3 | 179.8 | -63.9 | -81.6 | 0 | 0 | 0 | 109.8 | L219 Y221 E250 V266 Y267 D268 | L219-Y252 PolarHBondContact N-O 2.95Å; L219-Y252 PolarHBondContact O-N 2.68Å; Y221-Y252 AromaticContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CE2 4.15Å; E250-Y252 HydrophobicContact CB-CD2 4.3Å; E250-Y252 HydrophobicContact CB-CE2 3.46Å; E250-Y252 VanDerWaalsContact CB-CE2 3.46Å; E250-Y252 PolarHBondContact OE2-OH 3.34Å; Y252-V266 HydrophobicContact CD1-CB 4.38Å; Y252-V266 HydrophobicContact CD1-CG2 3.93Å; Y252-V266 HydrophobicContact CG-CG2 4.42Å; Y252-Y267 WeakPolarHBondContact CA-O 3.43Å; Y252-D268 HydrophobicContact CD1-CB 3.99Å; Y252-D268 HydrophobicContact CE1-CB 3.83Å; Y252-D268 VanDerWaalsContact CE1-CG 3.45Å |
| 253 | H | 92.1 | Very high | 78.2 | Confident | 39 Ų | 39 | 79.2 Ų | 79.2 | 18% | 0.181 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.7 | 175.9 | -57.6 | 91.1 | 0 | 0 | 0 | 109.5 | V213 V266 Y267 | V213-H253 HydrophobicContact CG1-CB 3.81Å; H253-V266 CarbonylContact O-C 3.48Å; H253-V266 WeakPolarHBondContact O-CA 3.4Å; H253-Y267 PolarHBondContact N-O 3Å; H253-Y267 PolarHBondContact O-N 3.28Å |
| 254 | P | 94.3 | Very high | 80.8 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 144.2 | -179.7 | 23.8 | -28 | 0 | 0 | 0 | 111.6 | N214 E217 L219 E263 | N214-P254 HydrophobicContact CB-CG 4.26Å; N214-P254 PolarHBondContact N-O 2.85Å; E217-P254 HydrophobicContact CB-CG 3.9Å; E217-P254 HydrophobicContact CG-CG 4.08Å; E217-P254 WeakPolarHBondContact O-CD 3.42Å; L219-P254 HydrophobicContact CD1-CB 4.26Å; L219-P254 HydrophobicContact CD1-CG 4.46Å; P254-E263 HydrophobicContact CB-CG 4.45Å |
| 255 | V | 95.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.6 | -178.3 | -175 | 0 | 0 | 0 | 0 | 108.7 | C211 S212 V213 V264 A265 F273 | C211-V255 HydrophobicContact CB-CG1 3.75Å; S212-V255 CarbonylContact O-C 3.57Å; S212-V255 WeakPolarHBondContact O-CA 3.39Å; V213-V255 HydrophobicContact CG1-CG2 4.47Å; V213-V255 HydrophobicContact CG2-CG2 4.13Å; V255-V264 WeakPolarHBondContact O-CG2 3.17Å; V255-V264 PolarHBondContact O-N 3.13Å; V255-A265 WeakPolarHBondContact CA-O 3.41Å; V255-A265 HydrophobicContact CB-CB 3.82Å; V255-A265 WeakPolarHBondContact CB-O 3.47Å; V255-A265 HydrophobicContact CG1-CB 4.33Å; V255-A265 HydrophobicContact CG2-CB 4.27Å; V255-A265 PolarHBondContact N-O 3.11Å; V255-A265 PolarHBondContact O-N 3.22Å; V255-F273 HydrophobicContact CG1-CD1 4.17Å; V255-F273 HydrophobicContact CG1-CE1 4.18Å; V255-F273 HydrophobicContact CG2-CD1 3.92Å; V255-F273 HydrophobicContact CG2-CE1 4.07Å |
| 256 | M | 95.4 | Very high | 85.8 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 30% | 0.3 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144 | -176.1 | -58 | -175.9 | -59.8 | 0 | 0 | 110.8 | C211 S212 N214 T262 | C211-M256 CarbonylContact C-O 3.54Å; C211-M256 WeakPolarHBondContact CA-O 3.34Å; S212-M256 PolarHBondContact N-O 3.25Å; S212-M256 PolarHBondContact O-N 3.47Å; S212-M256 PolarHBondContact OG-O 2.98Å; S212-M256 VanDerWaalsContact OG-O 3.07Å; N214-M256 HydrophobicContact CB-CE 4.34Å; M256-T262 CarbonylContact C-O 3.57Å; M256-T262 VanDerWaalsContact CA-O 3.29Å; M256-T262 WeakPolarHBondContact CA-O 3.45Å |
| 257 | C | 96.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 135.6 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | L189 N210 E259 S261 T262 V264 | L189-C257 HydrophobicContact CD2-CB 4.27Å; N210-C257 WeakPolarHBondContact O-CA 3.42Å; C257-E259 VanDerWaalsContact C-N 3.3Å; C257-E259 PolarHBondContact O-N 3.27Å; C257-S261 WeakPolarHBondContact O-CA 3.42Å; C257-S261 PolarHBondContact O-N 3.39Å; C257-T262 PolarHBondContact N-O 3.19Å; C257-V264 HydrophobicContact CB-CG1 4.47Å |
| 258 | T | 96.1 | Very high | 90.1 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.5 | 179.6 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | N210 | N210-T258 VanDerWaalsContact C-OG1 3.28Å; N210-T258 VanDerWaalsContact CA-OG1 3.25Å; N210-T258 WeakPolarHBondContact CA-OG1 3.47Å; N210-T258 PolarHBondContact O-N 3.01Å; N210-T258 PolarHBondContact O-OG1 3.36Å |
| 259 | E | 95.3 | Very high | 91.5 | Very high | 116 Ų | 116 | 46.3 Ų | 46.3 | 54% | 0.542 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -41.4 | -174.3 | -52.3 | -51.9 | 140.5 | 0 | 0 | 112.6 | T187 N210 C257 | T187-E259 HydrophobicContact CG2-CG 3.89Å; N210-E259 PolarHBondContact ND2-OE1 3.18Å; C257-E259 VanDerWaalsContact C-N 3.3Å; C257-E259 PolarHBondContact O-N 3.27Å |
| 260 | C | 95.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 25% | 0.25 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 6.1 | -171.7 | 68.5 | 0 | 0 | 0 | 0 | 114.2 | C182 A184 C185 T262 | C182-C260 PolarHBondContact SG-SG 3.49Å; A184-C260 HydrophobicContact CB-CB 4.49Å; C185-C260 HydrophobicContact CB-CB 4.01Å; C260-T262 PolarHBondContact O-N 2.98Å; C260-T262 PolarHBondContact SG-OG1 2.99Å |
| 261 | S | 94.3 | Very high | 93.2 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 62% | 0.622 | 26% | 0.256 | S | S | * | . | trans | 56.8 | 15.7 | 178.4 | 62.9 | 0 | 0 | 0 | 0 | 115.8 | C257 | C257-S261 WeakPolarHBondContact O-CA 3.42Å; C257-S261 PolarHBondContact O-N 3.39Å | ||
| 262 | T | 94.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | trans | -73.2 | 134.9 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | P183 A184 M256 C257 C260 V264 | P183-T262 HydrophobicContact CG-CG2 4.32Å; A184-T262 HydrophobicContact CB-CG2 4.48Å; A184-T262 WeakPolarHBondContact CB-OG1 3.49Å; M256-T262 CarbonylContact C-O 3.57Å; M256-T262 VanDerWaalsContact CA-O 3.29Å; M256-T262 WeakPolarHBondContact CA-O 3.45Å; C257-T262 PolarHBondContact N-O 3.19Å; C260-T262 PolarHBondContact O-N 2.98Å; C260-T262 PolarHBondContact SG-OG1 2.99Å; T262-V264 PolarHBondContact O-N 2.92Å | ||
| 263 | E | 94.8 | Very high | 93.6 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 120.6 | 172 | -170.9 | -175.8 | 173.4 | 0 | 0 | 110.3 | P254 F276 N277 | P254-E263 HydrophobicContact CB-CG 4.45Å; E263-F276 HydrophobicContact CG-CZ 4.4Å; E263-N277 PolarHBondContact O-ND2 3.06Å; E263-N277 VanDerWaalsContact O-ND2 3.1Å |
| 264 | V | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -27.5 | -171.3 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | L189 V255 C257 T262 F275 F276 N277 V278 | L189-V264 HydrophobicContact CD1-CB 3.9Å; L189-V264 HydrophobicContact CD1-CG1 3.81Å; L189-V264 HydrophobicContact CD1-CG2 3.98Å; V255-V264 WeakPolarHBondContact O-CG2 3.17Å; V255-V264 PolarHBondContact O-N 3.13Å; C257-V264 HydrophobicContact CB-CG1 4.47Å; T262-V264 PolarHBondContact O-N 2.92Å; V264-F275 HydrophobicContact CB-CD1 4.42Å; V264-F275 HydrophobicContact CG2-CE1 4.2Å; V264-F276 PolarHBondContact O-N 2.75Å; V264-N277 PolarHBondContact O-N 3.45Å; V264-V278 HydrophobicContact CB-CG1 4.23Å |
| 265 | A | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 172.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V255 H274 F275 | V255-A265 WeakPolarHBondContact CA-O 3.41Å; V255-A265 HydrophobicContact CB-CB 3.82Å; V255-A265 WeakPolarHBondContact CB-O 3.47Å; V255-A265 HydrophobicContact CG1-CB 4.33Å; V255-A265 HydrophobicContact CG2-CB 4.27Å; V255-A265 PolarHBondContact N-O 3.11Å; V255-A265 PolarHBondContact O-N 3.22Å; A265-H274 CarbonylContact C-O 3.59Å; A265-H274 WeakPolarHBondContact CA-O 3.26Å; A265-H274 WeakPolarHBondContact CB-O 3.2Å; A265-F275 HydrophobicContact CB-CB 4.41Å; A265-F275 HydrophobicContact CB-CD1 3.38Å; A265-F275 HydrophobicContact CB-CD2 4.35Å; A265-F275 HydrophobicContact CB-CE1 3.64Å; A265-F275 HydrophobicContact CB-CG 3.8Å; A265-F275 HydrophobicContact CB-CZ 4.22Å |
| 266 | V | 94 | Very high | 93.6 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154.8 | 160.9 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | L219 Y252 H253 F273 H274 F276 | L219-V266 HydrophobicContact CD1-CG1 3.91Å; Y252-V266 HydrophobicContact CD1-CB 4.38Å; Y252-V266 HydrophobicContact CD1-CG2 3.93Å; Y252-V266 HydrophobicContact CG-CG2 4.42Å; H253-V266 CarbonylContact O-C 3.48Å; H253-V266 WeakPolarHBondContact O-CA 3.4Å; V266-F273 WeakPolarHBondContact O-CA 3.42Å; V266-H274 HydrophobicContact CG2-CB 3.88Å; V266-H274 PolarHBondContact N-O 3.03Å; V266-H274 PolarHBondContact O-N 3.1Å; V266-F276 HydrophobicContact CG1-CE1 4Å; V266-F276 HydrophobicContact CG2-CE1 4.48Å |
| 267 | Y | 94.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125 | 179.2 | -177.5 | -107 | 0 | 0 | 0 | 110.3 | V213 Y252 H253 E271 F273 | V213-Y267 HydrophobicContact CG1-CD1 4.14Å; V213-Y267 HydrophobicContact CG1-CG 4.27Å; V213-Y267 HydrophobicContact CG2-CG 4.48Å; Y252-Y267 WeakPolarHBondContact CA-O 3.43Å; H253-Y267 PolarHBondContact N-O 3Å; H253-Y267 PolarHBondContact O-N 3.28Å; Y267-E271 VanDerWaalsContact CE2-C 3.46Å; Y267-E271 HydrophobicContact CE2-CB 4.27Å; Y267-E271 WeakPolarHBondContact OH-CA 3.28Å; Y267-E271 VanDerWaalsContact OH-CB 3.26Å; Y267-E271 WeakPolarHBondContact OH-CB 3.36Å; Y267-E271 WeakPolarHBondContact OH-CG 3.28Å; Y267-F273 AromaticContact CD2-CD1 3.83Å; Y267-F273 HydrophobicContact CD2-CD1 3.83Å; Y267-F273 AromaticContact CD2-CD2 3.97Å; Y267-F273 HydrophobicContact CD2-CD2 3.97Å; Y267-F273 AromaticContact CD2-CE1 3.57Å; Y267-F273 HydrophobicContact CD2-CE1 3.57Å; Y267-F273 AromaticContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CG 4.01Å; Y267-F273 AromaticContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CE2-CD2 4.13Å; Y267-F273 HydrophobicContact CE2-CE1 4.18Å; Y267-F273 AromaticContact CE2-CE2 3.61Å; Y267-F273 HydrophobicContact CE2-CE2 3.61Å; Y267-F273 AromaticContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CG-CE1 4.28Å; Y267-F273 HydrophobicContact CG-CZ 4.5Å |
| 268 | D | 91.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | trans | -96 | 173.2 | -174.9 | -161.3 | -0.5 | 0 | 0 | 0 | 112.4 | Y252 D270 E271 V272 H274 | Y252-D268 HydrophobicContact CD1-CB 3.99Å; Y252-D268 HydrophobicContact CE1-CB 3.83Å; Y252-D268 VanDerWaalsContact CE1-CG 3.45Å; D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 3.27Å; D268-E271 PolarHBondContact O-N 2.91Å; D268-V272 PolarHBondContact N-O 3.43Å; D268-H274 IonicContact OD2-CE1 3.92Å | ||
| 269 | K | 87.3 | Confident | 93.1 | Very high | 102 Ų | 102 | 53.7 Ų | 53.7 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -29.2 | 176.1 | -64.1 | -179.2 | -173.3 | 170.4 | 0 | 113.4 | E249 E271 | E249-K269 WeakPolarHBondContact O-CE 3.2Å; E249-K269 PolarHBondContact O-NZ 2.99Å; K269-E271 PolarHBondContact O-N 2.98Å; K269-E271 VanDerWaalsContact O-N 3.15Å |
| 270 | D | 87.5 | Confident | 93.1 | Very high | 130 Ų | 130 | 49.9 Ų | 49.9 | 70% | 0.695 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 12.3 | 177.3 | -65.9 | -25.1 | 0 | 0 | 0 | 112.9 | D268 V272 | D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 3.27Å; D270-V272 HydrophobicContact CB-CG2 4.25Å; D270-V272 PolarHBondContact O-N 3.45Å |
| 271 | E | 90.1 | Very high | 92.9 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 61.5 | 25.2 | -178.3 | -50.1 | -172.7 | 139.3 | 0 | 0 | 114.1 | Y267 D268 K269 | Y267-E271 VanDerWaalsContact CE2-C 3.46Å; Y267-E271 HydrophobicContact CE2-CB 4.27Å; Y267-E271 WeakPolarHBondContact OH-CA 3.28Å; Y267-E271 VanDerWaalsContact OH-CB 3.26Å; Y267-E271 WeakPolarHBondContact OH-CB 3.36Å; Y267-E271 WeakPolarHBondContact OH-CG 3.28Å; D268-E271 PolarHBondContact O-N 2.91Å; K269-E271 PolarHBondContact O-N 2.98Å; K269-E271 VanDerWaalsContact O-N 3.15Å |
| 272 | V | 92.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | trans | -101.5 | 139.8 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | R204 D268 D270 H274 | R204-V272 HydrophobicContact CB-CG1 4.2Å; R204-V272 HydrophobicContact CG-CG1 4.4Å; D268-V272 PolarHBondContact N-O 3.43Å; D270-V272 HydrophobicContact CB-CG2 4.25Å; D270-V272 PolarHBondContact O-N 3.45Å; V272-H274 PolarHBondContact O-ND1 3.41Å | ||
| 273 | F | 94.4 | Very high | 91.3 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127 | 172.3 | -64 | -95.4 | 0 | 0 | 0 | 110.6 | R204 A205 V208 V213 V255 V266 Y267 F275 | R204-F273 CarbonylContact C-O 3.57Å; R204-F273 VanDerWaalsContact CA-O 3.29Å; R204-F273 WeakPolarHBondContact CA-O 3.26Å; A205-F273 PolarHBondContact N-O 3.38Å; A205-F273 WeakPolarHBondContact O-CB 3.4Å; A205-F273 PolarHBondContact O-N 3.22Å; V208-F273 HydrophobicContact CG1-CB 3.96Å; V208-F273 HydrophobicContact CG1-CD1 3.9Å; V208-F273 HydrophobicContact CG1-CD2 3.68Å; V208-F273 HydrophobicContact CG1-CE1 4.33Å; V208-F273 HydrophobicContact CG1-CE2 4.13Å; V208-F273 HydrophobicContact CG1-CG 3.56Å; V208-F273 HydrophobicContact CG1-CZ 4.44Å; V208-F273 HydrophobicContact CG2-CD1 4.05Å; V208-F273 HydrophobicContact CG2-CD2 4.22Å; V208-F273 HydrophobicContact CG2-CE1 3.64Å; V208-F273 HydrophobicContact CG2-CE2 3.81Å; V208-F273 HydrophobicContact CG2-CG 4.34Å; V208-F273 HydrophobicContact CG2-CZ 3.51Å; V213-F273 HydrophobicContact CG2-CE1 3.8Å; V213-F273 HydrophobicContact CG2-CZ 4.26Å; V255-F273 HydrophobicContact CG1-CD1 4.17Å; V255-F273 HydrophobicContact CG1-CE1 4.18Å; V255-F273 HydrophobicContact CG2-CD1 3.92Å; V255-F273 HydrophobicContact CG2-CE1 4.07Å; V266-F273 WeakPolarHBondContact O-CA 3.42Å; Y267-F273 AromaticContact CD2-CD1 3.83Å; Y267-F273 HydrophobicContact CD2-CD1 3.83Å; Y267-F273 AromaticContact CD2-CD2 3.97Å; Y267-F273 HydrophobicContact CD2-CD2 3.97Å; Y267-F273 AromaticContact CD2-CE1 3.57Å; Y267-F273 HydrophobicContact CD2-CE1 3.57Å; Y267-F273 AromaticContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CG 4.01Å; Y267-F273 AromaticContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CE2-CD2 4.13Å; Y267-F273 HydrophobicContact CE2-CE1 4.18Å; Y267-F273 AromaticContact CE2-CE2 3.61Å; Y267-F273 HydrophobicContact CE2-CE2 3.61Å; Y267-F273 AromaticContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CG-CE1 4.28Å; Y267-F273 HydrophobicContact CG-CZ 4.5Å; F273-F275 HydrophobicContact CB-CD2 4.34Å; F273-F275 HydrophobicContact CB-CE2 3.81Å; F273-F275 HydrophobicContact CB-CZ 4.42Å |
| 274 | H | 94.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 104.6 | 176.2 | -57.1 | 63.9 | 0 | 0 | 0 | 109.5 | R204 A265 V266 D268 V272 | R204-H274 PolarHBondContact NE-NE2 3.02Å; R204-H274 PolarHBondContact NH2-NE2 3Å; R204-H274 VanDerWaalsContact NH2-NE2 3.11Å; A265-H274 CarbonylContact C-O 3.59Å; A265-H274 WeakPolarHBondContact CA-O 3.26Å; A265-H274 WeakPolarHBondContact CB-O 3.2Å; V266-H274 HydrophobicContact CG2-CB 3.88Å; V266-H274 PolarHBondContact N-O 3.03Å; V266-H274 PolarHBondContact O-N 3.1Å; D268-H274 IonicContact OD2-CE1 3.92Å; V272-H274 PolarHBondContact O-ND1 3.41Å |
| 275 | F | 95.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.8 | 178.2 | -68.8 | -85.3 | 0 | 0 | 0 | 111.2 | L180 L189 C190 Q202 Y203 A205 V208 V264 A265 F273 V278 | L180-F275 HydrophobicContact CD1-CB 4.12Å; L180-F275 HydrophobicContact CD1-CD1 4.45Å; L180-F275 HydrophobicContact CD1-CD2 3.62Å; L180-F275 HydrophobicContact CD1-CE2 4.08Å; L180-F275 HydrophobicContact CD1-CG 3.81Å; L189-F275 HydrophobicContact CB-CE1 4.28Å; L189-F275 HydrophobicContact CD1-CE1 4.24Å; C190-F275 HydrophobicContact CB-CE2 4.45Å; Q202-F275 WeakPolarHBondContact CA-O 3.49Å; Q202-F275 WeakPolarHBondContact CB-O 3.08Å; Y203-F275 PolarHBondContact N-O 2.87Å; Y203-F275 PolarHBondContact O-N 3.27Å; A205-F275 HydrophobicContact CB-CD2 4.43Å; A205-F275 HydrophobicContact CB-CE2 3.97Å; V208-F275 HydrophobicContact CB-CZ 4.35Å; V208-F275 HydrophobicContact CG1-CE2 3.66Å; V208-F275 HydrophobicContact CG1-CZ 3.49Å; V208-F275 VanDerWaalsContact CG1-CZ 3.49Å; V264-F275 HydrophobicContact CB-CD1 4.42Å; V264-F275 HydrophobicContact CG2-CE1 4.2Å; A265-F275 HydrophobicContact CB-CB 4.41Å; A265-F275 HydrophobicContact CB-CD1 3.38Å; A265-F275 HydrophobicContact CB-CD2 4.35Å; A265-F275 HydrophobicContact CB-CE1 3.64Å; A265-F275 HydrophobicContact CB-CG 3.8Å; A265-F275 HydrophobicContact CB-CZ 4.22Å; F273-F275 HydrophobicContact CB-CD2 4.34Å; F273-F275 HydrophobicContact CB-CE2 3.81Å; F273-F275 HydrophobicContact CB-CZ 4.42Å; F275-V278 HydrophobicContact CB-CG1 3.95Å; F275-V278 HydrophobicContact CB-CG2 3.89Å; F275-V278 HydrophobicContact CD1-CG1 3.43Å; F275-V278 VanDerWaalsContact CD1-CG1 3.43Å; F275-V278 HydrophobicContact CE1-CG1 4.25Å; F275-V278 HydrophobicContact CG-CG1 4.05Å |
| 276 | F | 92.8 | Very high | 90.7 | Very high | 89 Ų | 89 | 64.4 Ų | 64.4 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | trans | -137.3 | -18 | 177.6 | 55.1 | -89.4 | 0 | 0 | 0 | 113.6 | Q202 E263 V264 V266 | Q202-F276 HydrophobicContact CG-CB 4.14Å; E263-F276 HydrophobicContact CG-CZ 4.4Å; V264-F276 PolarHBondContact O-N 2.75Å; V266-F276 HydrophobicContact CG1-CE1 4Å; V266-F276 HydrophobicContact CG2-CE1 4.48Å | ||
| 277 | N | 89.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -121 | 67.6 | 178 | -172.2 | 32.7 | 0 | 0 | 0 | 110 | P183 E263 V264 | P183-N277 VanDerWaalsContact CD-O 3.29Å; P183-N277 WeakPolarHBondContact CD-O 3.37Å; P183-N277 WeakPolarHBondContact CG-O 3.28Å; E263-N277 PolarHBondContact O-ND2 3.06Å; E263-N277 VanDerWaalsContact O-ND2 3.1Å; V264-N277 PolarHBondContact O-N 3.45Å |
| 278 | V | 93.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | trans | -138.2 | 155.8 | -175.8 | -67.6 | 0 | 0 | 0 | 0 | 112 | L180 L189 Y203 V264 F275 | L180-V278 HydrophobicContact CB-CB 4.49Å; L180-V278 HydrophobicContact CD1-CG2 4.43Å; L180-V278 HydrophobicContact CD2-CG2 4.08Å; L189-V278 HydrophobicContact CD1-CG1 4.03Å; Y203-V278 HydrophobicContact CD2-CG2 4.05Å; V264-V278 HydrophobicContact CB-CG1 4.23Å; F275-V278 HydrophobicContact CB-CG1 3.95Å; F275-V278 HydrophobicContact CB-CG2 3.89Å; F275-V278 HydrophobicContact CD1-CG1 3.43Å; F275-V278 VanDerWaalsContact CD1-CG1 3.43Å; F275-V278 HydrophobicContact CE1-CG1 4.25Å; F275-V278 HydrophobicContact CG-CG1 4.05Å | ||
| 279 | L | 94.6 | Very high | 90.2 | Very high | 72 Ų | 72 | 73.3 Ų | 73.3 | 38% | 0.377 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.3 | 170.9 | -61.6 | 174.9 | 0 | 0 | 0 | 108.8 | N181 P183 M186 | N181-L279 HydrophobicContact CB-CB 4.35Å; N181-L279 PolarHBondContact N-O 2.83Å; N181-L279 PolarHBondContact O-N 2.72Å; P183-L279 HydrophobicContact CB-CG 4.32Å; M186-L279 HydrophobicContact CE-CD1 3.27Å; M186-L279 HydrophobicContact SD-CD1 3.33Å; M186-L279 WeakPolarHBondContact SD-CD1 3.28Å |
| 280 | A | 94.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 71.3 Ų | 71.3 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A178 V179 L180 Y203 | A178-A280 HydrophobicContact CB-CB 4.03Å; V179-A280 WeakPolarHBondContact O-CA 3.3Å; L180-A280 HydrophobicContact CD2-CB 4.08Å; Y203-A280 HydrophobicContact CE1-CB 4.47Å; Y203-A280 HydrophobicContact CE2-CB 3.68Å; Y203-A280 VanDerWaalsContact OH-CB 3.22Å; Y203-A280 WeakPolarHBondContact OH-CB 3.1Å |
| 281 | S | 91.5 | Very high | 90.6 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.5 | 171.1 | -62 | 0 | 0 | 0 | 0 | 108.9 | A178 V179 N181 | A178-S281 WeakPolarHBondContact CA-O 3.37Å; V179-S281 PolarHBondContact N-O 3.36Å; V179-S281 PolarHBondContact O-N 3.12Å; N181-S281 PolarHBondContact ND2-OG 3.41Å |
| 282 | H | 87.8 | Confident | 90.6 | Very high | 108 Ų | 108 | 60.8 Ų | 60.8 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 138.7 | 176 | -59.3 | -74.2 | 0 | 0 | 0 | 109.4 | D177 Y203 | D177-H282 PolarHBondContact O-ND1 3.33Å; Y203-H282 PolarHBondContact OH-CE1 2.91Å; Y203-H282 PolarHBondContact OH-NE2 3.07Å |
| 283 | S | 66.9 | Low | 90.5 | Very high | 188 Ų | 188 | 63.8 Ų | 63.8 | 100% | 1.315 | 37% | 0.371 | S | S | * | . | trans | -97.5 | 0 | 174 | 62.2 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 283 of 283 residues in 185.2 ms
(Link to these results)