| 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 | 49.6 | Very low | 47.4 | Very low | 233 Ų | 233 | 158.4 Ų | 158.4 | 100% | 1.148 | 86% | 0.861 | S | S | * | * | 0 | 79 | 0 | -93 | -174 | 175.8 | 0 | 0 | 104 | |||||
| 2 | D | 46.6 | Very low | 46.4 | Very low | 156 Ų | 156 | 158.3 Ų | 158.3 | 83% | 0.834 | 86% | 0.86 | S | S | * | * | trans | -103.3 | 127.6 | -156.8 | -66.8 | -79.1 | 0 | 0 | 0 | 109.5 | ||||
| 3 | L | 47.8 | Very low | 45.8 | Very low | 173 Ų | 173 | 158.5 Ų | 158.5 | 91% | 0.906 | 86% | 0.859 | S | S | * | * | trans | -64.2 | 127.9 | 178.9 | -69.3 | 154.9 | 0 | 0 | 0 | 110 | ||||
| 4 | L | 52.1 | Low | 45.2 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 91% | 0.911 | 85% | 0.85 | S | S | * | * | trans | -130.6 | 111.2 | 163.8 | -91.8 | 159.3 | 0 | 0 | 0 | 108.8 | ||||
| 5 | E | 55.8 | Low | 44.7 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70 | 153.3 | 174.5 | -67.6 | 177.3 | 154.2 | 0 | 0 | 111.8 | ||
| 6 | P | 54.9 | Low | 44.2 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 149.1 | -180 | 31.4 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 7 | P | 47.5 | Very low | 44 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.6 | -174.2 | 29.7 | -34.3 | 0 | 0 | 0 | 113.6 | ||
| 8 | T | 47.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 154.5 | 176.1 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 9 | P | 41.2 | Very low | 43.4 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 80% | 0.799 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 139.7 | -178.5 | 31.1 | -33.3 | 0 | 0 | 0 | 113 | ||
| 10 | V | 42.5 | Very low | 43.3 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 80% | 0.8 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 130.4 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 110 | ||
| 11 | K | 36.5 | Very low | 43.3 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -80.2 | 113.1 | 173.2 | -75.4 | 176.5 | 175.1 | 176.1 | 0 | 109.5 | N13 | K11-N13 PolarHBondContact O-N 3.16Š| ||
| 12 | D | 35.5 | Very low | 42.9 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -73.5 | 113.9 | 167.3 | -73.4 | -42.2 | 0 | 0 | 0 | 110 | A14 | D12-A14 PolarHBondContact O-N 3.27Š| ||
| 13 | N | 38.1 | Very low | 42.9 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -82.1 | 87 | 177.9 | -153.8 | 16 | 0 | 0 | 0 | 108.6 | K11 S15 | K11-N13 PolarHBondContact O-N 3.16Å; N13-S15 PolarHBondContact O-N 3.22Å | ||
| 14 | A | 37.9 | Very low | 43.2 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -77.5 | 99.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D12 S16 | D12-A14 PolarHBondContact O-N 3.27Å; A14-S16 PolarHBondContact O-N 2.89Å | ||
| 15 | S | 37.5 | Very low | 43.2 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.6 | 168.2 | -74.7 | 0 | 0 | 0 | 0 | 111 | N13 | N13-S15 PolarHBondContact O-N 3.22Š|
| 16 | S | 36.6 | Very low | 44.1 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.4 | 170.2 | -32.2 | 0 | 0 | 0 | 0 | 110.8 | A14 | A14-S16 PolarHBondContact O-N 2.89Š|
| 17 | P | 39.9 | Very low | 45.4 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 130.7 | 162 | 17.4 | -6.5 | 0 | 0 | 0 | 109.4 | ||
| 18 | S | 38.4 | Very low | 47.4 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 138.9 | -178.4 | 41.1 | 0 | 0 | 0 | 0 | 114.3 | S20 | S18-S20 PolarHBondContact O-N 3.08Š|
| 19 | E | 39.8 | Very low | 49.3 | Very low | 201 Ų | 201 | 131.9 Ų | 131.9 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -53.7 | 102.5 | 170.7 | -73.6 | 174.1 | 134.2 | 0 | 0 | 110.9 | K21 | E19-K21 PolarHBondContact O-N 2.66Š| ||
| 20 | S | 40.8 | Very low | 51.6 | Low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -80 | 109.2 | 163.2 | 47.9 | 0 | 0 | 0 | 0 | 108.1 | S18 A22 | S18-S20 PolarHBondContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 2.96Å | ||
| 21 | K | 42.8 | Very low | 53.7 | Low | 204 Ų | 204 | 127.8 Ų | 127.8 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -25 | 107.2 | 166.3 | -107 | 171.7 | 172.8 | 173.1 | 0 | 111.5 | E19 K23 | E19-K21 PolarHBondContact O-N 2.66Å; K21-K23 PolarHBondContact O-N 3.01Å | ||
| 22 | A | 42.2 | Very low | 56.3 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -58 | 104.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | S20 N24 | S20-A22 PolarHBondContact O-N 2.96Å; A22-N24 PolarHBondContact O-N 3.19Å | ||
| 23 | K | 45.5 | Very low | 59 | Low | 185 Ų | 185 | 119.5 Ų | 119.5 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -65.2 | 117.1 | 164.7 | -68.8 | 177.5 | 178.8 | 177.6 | 0 | 106 | K21 C25 | K21-K23 PolarHBondContact O-N 3.01Å; K23-C25 VanDerWaalsContact C-N 3.35Å; K23-C25 PolarHBondContact O-N 2.69Å | ||
| 24 | N | 53.5 | Low | 61.6 | Low | 149 Ų | 149 | 118.1 Ų | 118.1 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -56.3 | 101.7 | 168.1 | -88 | -19.6 | 0 | 0 | 0 | 108.1 | A22 D26 | A22-N24 PolarHBondContact O-N 3.19Å; N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 2.9Å | ||
| 25 | C | 53.7 | Low | 64.2 | Low | 114 Ų | 114 | 118.2 Ų | 118.2 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | -77.4 | 84.2 | 171.2 | -68.4 | 0 | 0 | 0 | 0 | 107.3 | K23 L27 | K23-C25 VanDerWaalsContact C-N 3.35Å; K23-C25 PolarHBondContact O-N 2.69Å; C25-L27 PolarHBondContact O-N 2.95Å | ||
| 26 | D | 74.4 | Confident | 66.9 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | trans | -58.1 | 110.2 | 172.9 | -80 | -46.7 | 0 | 0 | 0 | 109.3 | N24 T28 R32 | N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 2.9Å; D26-T28 PolarHBondContact O-N 2.89Å; D26-R32 IonicContact OD1-NH2 2.71Å | ||
| 27 | L | 82.3 | Confident | 69.7 | Low | 74 Ų | 74 | 118.7 Ų | 118.7 | 39% | 0.387 | 65% | 0.646 | S | S | . | * | trans | -56.5 | 131.2 | 178.9 | -67.5 | 169 | 0 | 0 | 0 | 109.3 | C25 M31 R32 I35 | C25-L27 PolarHBondContact O-N 2.95Å; L27-M31 HydrophobicContact CB-CB 4.32Å; L27-M31 HydrophobicContact CD2-CB 4.43Å; L27-M31 HydrophobicContact CD2-CE 3.62Å; L27-M31 HydrophobicContact CD2-SD 4.25Å; L27-R32 HydrophobicContact CB-CG 3.86Å; L27-R32 PolarHBondContact O-NE 2.9Å; L27-R32 PolarHBondContact O-NH2 2.86Å; L27-I35 HydrophobicContact CD1-CD1 3.64Å | ||
| 28 | T | 88.5 | Confident | 72.2 | Confident | 73 Ų | 73 | 117.6 Ų | 117.6 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | trans | -57.8 | 152 | 176.2 | 64 | 0 | 0 | 0 | 0 | 110.5 | D26 A30 M31 R32 | D26-T28 PolarHBondContact O-N 2.89Å; T28-A30 PolarHBondContact O-N 2.83Å; T28-A30 VanDerWaalsContact O-N 3.12Å; T28-M31 HydrophobicContact CG2-SD 4.48Å; T28-M31 WeakPolarHBondContact O-CB 3.36Å; T28-M31 PolarHBondContact O-N 2.7Å; T28-M31 VanDerWaalsContact OG1-CG 3.26Å; T28-M31 WeakPolarHBondContact OG1-CG 3.38Å; T28-M31 PolarHBondContact OG1-N 2.81Å; T28-M31 PolarHBondContact OG1-SD 3Å; T28-R32 PolarHBondContact O-N 2.71Å | ||
| 29 | P | 88.7 | Confident | 75 | Confident | 111 Ų | 111 | 119.9 Ų | 119.9 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -53.3 | -36 | 179.5 | -27 | 34.4 | 0 | 0 | 0 | 113.2 | R32 A33 | P29-R32 PolarHBondContact O-N 3.08Å; P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.45Å |
| 30 | A | 88.9 | Confident | 77.7 | Confident | 72 Ų | 72 | 115.3 Ų | 115.3 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.8 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T28 A33 K34 | T28-A30 PolarHBondContact O-N 2.83Å; T28-A30 VanDerWaalsContact O-N 3.12Å; A30-A33 PolarHBondContact O-N 2.78Å; A30-K34 PolarHBondContact O-N 3.28Å; A30-K34 VanDerWaalsContact O-N 3.08Å |
| 31 | M | 86.3 | Confident | 80.2 | Confident | 98 Ų | 98 | 118.7 Ų | 118.7 | 48% | 0.483 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.9 | -41.8 | 176.1 | -69.2 | 171.4 | 80.2 | 0 | 0 | 111.2 | L27 T28 A33 K34 I35 | L27-M31 HydrophobicContact CB-CB 4.32Å; L27-M31 HydrophobicContact CD2-CB 4.43Å; L27-M31 HydrophobicContact CD2-CE 3.62Å; L27-M31 HydrophobicContact CD2-SD 4.25Å; T28-M31 HydrophobicContact CG2-SD 4.48Å; T28-M31 WeakPolarHBondContact O-CB 3.36Å; T28-M31 PolarHBondContact O-N 2.7Å; T28-M31 VanDerWaalsContact OG1-CG 3.26Å; T28-M31 WeakPolarHBondContact OG1-CG 3.38Å; T28-M31 PolarHBondContact OG1-N 2.81Å; T28-M31 PolarHBondContact OG1-SD 3Å; M31-A33 PolarHBondContact O-N 3.46Å; M31-K34 PolarHBondContact O-N 2.94Å; M31-I35 WeakPolarHBondContact O-CD1 3.23Å; M31-I35 VanDerWaalsContact O-CG1 3.3Å; M31-I35 WeakPolarHBondContact O-CG1 3.43Å; M31-I35 PolarHBondContact O-N 2.99Å |
| 32 | R | 91.4 | Very high | 82.5 | Confident | 136 Ų | 136 | 111.8 Ų | 111.8 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.6 | -43.7 | 175.2 | -62.7 | -178.6 | -166.4 | -164.8 | -2.3 | 111.6 | D26 L27 T28 P29 K34 I35 E36 | D26-R32 IonicContact OD1-NH2 2.71Å; L27-R32 HydrophobicContact CB-CG 3.86Å; L27-R32 PolarHBondContact O-NE 2.9Å; L27-R32 PolarHBondContact O-NH2 2.86Å; T28-R32 PolarHBondContact O-N 2.71Å; P29-R32 PolarHBondContact O-N 3.08Å; R32-K34 VanDerWaalsContact C-N 3.32Å; R32-K34 PolarHBondContact O-N 3.19Å; R32-I35 PolarHBondContact O-N 3.4Å; R32-E36 PolarHBondContact O-N 3.21Å |
| 33 | A | 92.4 | Very high | 85 | Confident | 48 Ų | 48 | 111.3 Ų | 111.3 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P29 A30 M31 R37 | P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.45Å; A30-A33 PolarHBondContact O-N 2.78Å; M31-A33 PolarHBondContact O-N 3.46Å; A33-R37 PolarHBondContact O-N 3.29Å; A33-R37 VanDerWaalsContact O-N 3.12Å; A33-R37 PolarHBondContact O-NE 2.73Å |
| 34 | K | 91.2 | Very high | 87.2 | Confident | 131 Ų | 131 | 109 Ų | 109 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.2 | -40.9 | 174.7 | -171.2 | 174.7 | -179 | 177.8 | 0 | 111.6 | A30 M31 R32 E36 R37 N38 | A30-K34 PolarHBondContact O-N 3.28Å; A30-K34 VanDerWaalsContact O-N 3.08Å; M31-K34 PolarHBondContact O-N 2.94Å; R32-K34 VanDerWaalsContact C-N 3.32Å; R32-K34 PolarHBondContact O-N 3.19Å; K34-E36 VanDerWaalsContact C-N 3.34Å; K34-R37 PolarHBondContact O-N 3.03Å; K34-N38 PolarHBondContact O-N 2.92Å |
| 35 | I | 93.5 | Very high | 88.9 | Confident | 91 Ų | 91 | 106.3 Ų | 106.3 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.1 | -69.6 | 161.7 | 0 | 0 | 0 | 110.2 | L27 M31 R32 N38 R39 | L27-I35 HydrophobicContact CD1-CD1 3.64Å; M31-I35 WeakPolarHBondContact O-CD1 3.23Å; M31-I35 VanDerWaalsContact O-CG1 3.3Å; M31-I35 WeakPolarHBondContact O-CG1 3.43Å; M31-I35 PolarHBondContact O-N 2.99Å; R32-I35 PolarHBondContact O-N 3.4Å; I35-N38 PolarHBondContact O-N 3.19Å; I35-R39 WeakPolarHBondContact O-CB 2.92Å; I35-R39 PolarHBondContact O-N 2.98Å |
| 36 | E | 95.1 | Very high | 90.4 | Very high | 78 Ų | 78 | 109.3 Ų | 109.3 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | -179.4 | -168.6 | 54.3 | -144.2 | 0 | 0 | 112.3 | R32 K34 N38 R39 Q40 | R32-E36 PolarHBondContact O-N 3.21Å; K34-E36 VanDerWaalsContact C-N 3.34Å; E36-N38 PolarHBondContact O-N 3.29Å; E36-R39 WeakPolarHBondContact O-CB 3.31Å; E36-R39 PolarHBondContact O-N 3.39Å; E36-Q40 WeakPolarHBondContact O-CG 3.2Å; E36-Q40 PolarHBondContact O-N 2.8Å |
| 37 | R | 94 | Very high | 91.2 | Very high | 157 Ų | 157 | 109.4 Ų | 109.4 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.5 | -42.9 | 172.6 | -85.8 | -176.8 | -77.1 | 144.3 | -10.3 | 112.8 | A33 K34 R39 Q40 R41 | A33-R37 PolarHBondContact O-N 3.29Å; A33-R37 VanDerWaalsContact O-N 3.12Å; A33-R37 PolarHBondContact O-NE 2.73Å; K34-R37 PolarHBondContact O-N 3.03Å; R37-R39 VanDerWaalsContact C-N 3.33Å; R37-Q40 PolarHBondContact O-N 3.05Å; R37-R41 WeakPolarHBondContact O-CB 3.1Å; R37-R41 PolarHBondContact O-N 3.31Å |
| 38 | N | 93.8 | Very high | 91.4 | Very high | 101 Ų | 101 | 108.6 Ų | 108.6 | 54% | 0.54 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.6 | -81.2 | -1.1 | 0 | 0 | 0 | 111.6 | K34 I35 E36 R41 A42 | K34-N38 PolarHBondContact O-N 2.92Å; I35-N38 PolarHBondContact O-N 3.19Å; E36-N38 PolarHBondContact O-N 3.29Å; N38-R41 PolarHBondContact O-N 3.5Å; N38-A42 WeakPolarHBondContact O-CB 3.43Å; N38-A42 PolarHBondContact O-N 2.86Å |
| 39 | R | 96.2 | Very high | 91 | Very high | 159 Ų | 159 | 113.9 Ų | 113.9 | 60% | 0.6 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.8 | -48.5 | 175.1 | -175.6 | -175.6 | -177.8 | 164 | 1.6 | 111.6 | I35 E36 R37 R41 A42 L43 | I35-R39 WeakPolarHBondContact O-CB 2.92Å; I35-R39 PolarHBondContact O-N 2.98Å; E36-R39 WeakPolarHBondContact O-CB 3.31Å; E36-R39 PolarHBondContact O-N 3.39Å; R37-R39 VanDerWaalsContact C-N 3.33Å; R39-R41 PolarHBondContact O-N 3.46Å; R39-A42 PolarHBondContact O-N 3.32Å; R39-L43 HydrophobicContact CG-CD1 4.4Å; R39-L43 WeakPolarHBondContact O-CG 3.49Å; R39-L43 PolarHBondContact O-N 3.12Å |
| 40 | Q | 96 | Very high | 90.4 | Very high | 106 Ų | 106 | 113.4 Ų | 113.4 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.3 | -71.4 | 173.5 | 1.1 | 0 | 0 | 112 | E36 R37 A42 L43 M44 | E36-Q40 WeakPolarHBondContact O-CG 3.2Å; E36-Q40 PolarHBondContact O-N 2.8Å; R37-Q40 PolarHBondContact O-N 3.05Å; Q40-A42 VanDerWaalsContact C-N 3.34Å; Q40-A42 PolarHBondContact O-N 2.94Å; Q40-L43 PolarHBondContact O-N 3.12Å; Q40-M44 PolarHBondContact O-N 3.36Å |
| 41 | R | 93.4 | Very high | 89.8 | Confident | 181 Ų | 181 | 114.1 Ų | 114.1 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 176.5 | -169.9 | 175.9 | -176.3 | 173 | 1.8 | 112.2 | R37 N38 R39 L45 | R37-R41 WeakPolarHBondContact O-CB 3.1Å; R37-R41 PolarHBondContact O-N 3.31Å; N38-R41 PolarHBondContact O-N 3.5Å; R39-R41 PolarHBondContact O-N 3.46Å; R41-L45 HydrophobicContact CG-CD1 4.42Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 3.47Å; R41-L45 VanDerWaalsContact O-N 3.08Å |
| 42 | A | 92.4 | Very high | 89.1 | Confident | 59 Ų | 59 | 113.8 Ų | 113.8 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.5 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N38 R39 Q40 L45 R46 | N38-A42 WeakPolarHBondContact O-CB 3.43Å; N38-A42 PolarHBondContact O-N 2.86Å; R39-A42 PolarHBondContact O-N 3.32Å; Q40-A42 VanDerWaalsContact C-N 3.34Å; Q40-A42 PolarHBondContact O-N 2.94Å; A42-L45 PolarHBondContact O-N 3.49Å; A42-R46 WeakPolarHBondContact O-CB 3.48Å; A42-R46 PolarHBondContact O-N 3.42Å |
| 43 | L | 94.4 | Very high | 88 | Confident | 86 Ų | 86 | 115.7 Ų | 115.7 | 45% | 0.45 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -44.4 | 175.7 | -72.3 | 172.8 | 0 | 0 | 0 | 112.1 | R39 Q40 L45 R46 Q47 | R39-L43 HydrophobicContact CG-CD1 4.4Å; R39-L43 WeakPolarHBondContact O-CG 3.49Å; R39-L43 PolarHBondContact O-N 3.12Å; Q40-L43 PolarHBondContact O-N 3.12Å; L43-L45 PolarHBondContact O-N 3.49Å; L43-R46 PolarHBondContact O-N 3.41Å; L43-Q47 PolarHBondContact O-N 3.21Å |
| 44 | M | 90.4 | Very high | 86.3 | Confident | 135 Ų | 135 | 119.3 Ų | 119.3 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.9 | -47 | 174.7 | -80.9 | -96.4 | -80.5 | 0 | 0 | 111.8 | Q40 R46 Q47 A48 | Q40-M44 PolarHBondContact O-N 3.36Å; M44-R46 VanDerWaalsContact C-N 3.29Å; M44-R46 PolarHBondContact O-N 3.08Å; M44-Q47 PolarHBondContact O-N 3.28Å; M44-A48 WeakPolarHBondContact O-CB 3.33Å; M44-A48 PolarHBondContact O-N 2.99Å |
| 45 | L | 89.1 | Confident | 84.6 | Confident | 94 Ų | 94 | 118.7 Ų | 118.7 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.8 | -36 | 176.6 | -73.8 | 168.5 | 0 | 0 | 0 | 112.3 | R41 A42 L43 R49 | R41-L45 HydrophobicContact CG-CD1 4.42Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 3.47Å; R41-L45 VanDerWaalsContact O-N 3.08Å; A42-L45 PolarHBondContact O-N 3.49Å; L43-L45 PolarHBondContact O-N 3.49Å; L45-R49 VanDerWaalsContact O-CG 3.3Å; L45-R49 WeakPolarHBondContact O-CG 3.49Å; L45-R49 PolarHBondContact O-N 2.93Å |
| 46 | R | 86.3 | Confident | 82.6 | Confident | 176 Ų | 176 | 119.6 Ų | 119.6 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.1 | -42.1 | 176.6 | -173 | 177.7 | 178 | -176.1 | -0.7 | 111.8 | A42 L43 M44 R49 L50 | A42-R46 WeakPolarHBondContact O-CB 3.48Å; A42-R46 PolarHBondContact O-N 3.42Å; L43-R46 PolarHBondContact O-N 3.41Å; M44-R46 VanDerWaalsContact C-N 3.29Å; M44-R46 PolarHBondContact O-N 3.08Å; R46-R49 PolarHBondContact O-N 3.49Å; R46-L50 WeakPolarHBondContact O-CG 3.4Å; R46-L50 PolarHBondContact O-N 2.94Å |
| 47 | Q | 90.3 | Very high | 80 | Confident | 132 Ų | 132 | 118.9 Ų | 118.9 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -44.5 | 175.2 | -74.7 | -179.2 | 3.2 | 0 | 0 | 111.4 | L43 M44 R49 L50 A51 | L43-Q47 PolarHBondContact O-N 3.21Å; M44-Q47 PolarHBondContact O-N 3.28Å; Q47-R49 VanDerWaalsContact C-N 3.32Å; Q47-R49 PolarHBondContact O-N 2.87Å; Q47-L50 PolarHBondContact O-N 2.95Å; Q47-L50 VanDerWaalsContact O-N 3.09Å; Q47-A51 PolarHBondContact O-N 3.45Å |
| 48 | A | 86.4 | Confident | 77.5 | Confident | 57 Ų | 57 | 120.9 Ų | 120.9 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -58.5 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M44 L50 A51 S52 | M44-A48 WeakPolarHBondContact O-CB 3.33Å; M44-A48 PolarHBondContact O-N 2.99Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 3.03Å; A48-A51 PolarHBondContact O-N 3.02Å; A48-S52 WeakPolarHBondContact O-CB 3.45Å; A48-S52 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-OG 3.26Å |
| 49 | R | 80.2 | Confident | 74.9 | Confident | 183 Ų | 183 | 120.3 Ų | 120.3 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.1 | -34.1 | 174.9 | -75 | 175.7 | -178.1 | -178.5 | 0.4 | 113.4 | L45 R46 Q47 S52 R53 | L45-R49 VanDerWaalsContact O-CG 3.3Å; L45-R49 WeakPolarHBondContact O-CG 3.49Å; L45-R49 PolarHBondContact O-N 2.93Å; R46-R49 PolarHBondContact O-N 3.49Å; Q47-R49 VanDerWaalsContact C-N 3.32Å; Q47-R49 PolarHBondContact O-N 2.87Å; R49-S52 PolarHBondContact O-OG 3Å; R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.28Å |
| 50 | L | 76.1 | Confident | 72 | Confident | 101 Ų | 101 | 116.6 Ų | 116.6 | 53% | 0.529 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -73.3 | -37.7 | 176.3 | -72.9 | 171.5 | 0 | 0 | 0 | 111.6 | R46 Q47 A48 R53 | R46-L50 WeakPolarHBondContact O-CG 3.4Å; R46-L50 PolarHBondContact O-N 2.94Å; Q47-L50 PolarHBondContact O-N 2.95Å; Q47-L50 VanDerWaalsContact O-N 3.09Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 3.03Å; L50-R53 PolarHBondContact O-N 3.48Å |
| 51 | A | 76.6 | Confident | 69.3 | Low | 88 Ų | 88 | 115.3 Ų | 115.3 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.3 | -32.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q47 A48 R53 | Q47-A51 PolarHBondContact O-N 3.45Å; A48-A51 PolarHBondContact O-N 3.02Å; A51-R53 VanDerWaalsContact C-N 3.31Å |
| 52 | S | 71.7 | Confident | 66.5 | Low | 90 Ų | 90 | 113.7 Ų | 113.7 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 5.1 | 178.7 | 73.9 | 0 | 0 | 0 | 0 | 113.8 | A48 R49 P54 | A48-S52 WeakPolarHBondContact O-CB 3.45Å; A48-S52 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-OG 3.26Å; R49-S52 PolarHBondContact O-OG 3Å; S52-P54 WeakPolarHBondContact O-CD 3.48Å |
| 53 | R | 69.3 | Low | 64.1 | Low | 177 Ų | 177 | 116.9 Ų | 116.9 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -78.8 | 123.2 | 170.8 | -82.3 | 177.4 | 79.7 | -179.5 | 4.4 | 108.2 | R49 L50 A51 S55 | R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.28Å; L50-R53 PolarHBondContact O-N 3.48Å; A51-R53 VanDerWaalsContact C-N 3.31Å; R53-S55 PolarHBondContact O-N 3.43Å |
| 54 | P | 56.6 | Low | 61.5 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -61.6 | 123.1 | 168.3 | 25.3 | -30.2 | 0 | 0 | 0 | 107.9 | S52 A56 | S52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-A56 PolarHBondContact O-N 3.44Å; P54-A56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | S | 55.8 | Low | 59.2 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -60.7 | 111.5 | 177 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | R53 G57 | R53-S55 PolarHBondContact O-N 3.43Å; S55-G57 PolarHBondContact O-N 2.91Å | ||
| 56 | A | 50.3 | Low | 56.9 | Low | 111 Ų | 111 | 122.7 Ų | 122.7 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -80.1 | 105.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P54 | P54-A56 PolarHBondContact O-N 3.44Å; P54-A56 VanDerWaalsContact O-N 3.09Å | ||
| 57 | G | 41.5 | Very low | 55.2 | Low | 62 Ų | 62 | 117.1 Ų | 117.1 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | trans | 162.9 | 101.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S55 | S55-G57 PolarHBondContact O-N 2.91Š| ||
| 58 | E | 40.8 | Very low | 53.6 | Low | 200 Ų | 200 | 119 Ų | 119 | 94% | 0.935 | 76% | 0.757 | S | S | * | * | trans | 7.2 | 127.8 | 157 | -73.1 | 161.5 | 118.7 | 0 | 0 | 121 | ||||
| 59 | G | 40 | Very low | 52.3 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | 80.1 | 105.2 | 126.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 60 | G | 33.8 | Very low | 51.3 | Low | 82 Ų | 82 | 115.3 Ų | 115.3 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 158 | 86.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 61 | G | 40.5 | Very low | 50.3 | Low | 78 Ų | 78 | 115.1 Ų | 115.1 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -68.8 | 152.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 62 | T | 34.3 | Very low | 49.7 | Very low | 147 Ų | 147 | 115 Ų | 115 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -130.7 | 135.1 | 145.8 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | S | 41.8 | Very low | 49 | Very low | 127 Ų | 127 | 114 Ų | 114 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -71 | 129.4 | -162.4 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 64 | A | 40.1 | Very low | 48.8 | Very low | 91 Ų | 91 | 108.7 Ų | 108.7 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -147.8 | 96.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 65 | K | 42.7 | Very low | 49.1 | Very low | 208 Ų | 208 | 106.1 Ų | 106.1 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | trans | 38.8 | 92.1 | 158.4 | -59.8 | 179.7 | -177.6 | 178.9 | 0 | 116.3 | A67 | K65-A67 PolarHBondContact O-N 3.23Š| ||
| 66 | V | 39.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 108.4 Ų | 108.4 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -76.7 | 109.2 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 67 | A | 51.2 | Low | 48.7 | Very low | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 72% | 0.718 | S | S | . | * | trans | -65.4 | 140.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | K65 I69 | K65-A67 PolarHBondContact O-N 3.23Å; A67-I69 PolarHBondContact O-N 2.89Å; A67-I69 VanDerWaalsContact O-N 3.12Å | ||
| 68 | K | 55.7 | Low | 49.3 | Very low | 172 Ų | 172 | 112 Ų | 112 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -70.9 | 110.6 | -178.4 | -71.6 | 176.3 | -178.4 | 171.7 | 0 | 108.6 | ||||
| 69 | I | 59 | Low | 49.6 | Very low | 84 Ų | 84 | 107.8 Ų | 107.8 | 43% | 0.431 | 70% | 0.7 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.7 | 175.7 | -86.8 | 159.8 | 0 | 0 | 0 | 107.6 | A67 F77 D79 | A67-I69 PolarHBondContact O-N 2.89Å; A67-I69 VanDerWaalsContact O-N 3.12Å; I69-F77 HydrophobicContact CG2-CB 3.65Å; I69-F77 HydrophobicContact CG2-CD1 3.11Å; I69-F77 HydrophobicContact CG2-CE1 3.85Å; I69-F77 HydrophobicContact CG2-CG 3.54Å; I69-D79 WeakPolarHBondContact CG1-OD1 3.47Å |
| 70 | V | 59.8 | Low | 50.1 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 48% | 0.479 | 68% | 0.684 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.8 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | E80 | V70-E80 HydrophobicContact CG2-CG 4.38Å; V70-E80 VanDerWaalsContact CG2-OE1 3.27Å; V70-E80 WeakPolarHBondContact CG2-OE1 3.26Å |
| 71 | D | 54.3 | Low | 50.5 | Low | 96 Ų | 96 | 114.7 Ų | 114.7 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.6 | 179.7 | -173.1 | -2.3 | 0 | 0 | 0 | 110.3 | G73 F77 | D71-G73 PolarHBondContact O-N 3.44Å; D71-G73 PolarHBondContact OD1-N 3.05Å; D71-F77 HydrophobicContact CB-CD1 4.31Å; D71-F77 HydrophobicContact CB-CE1 3.98Å |
| 72 | S | 63.8 | Low | 50.6 | Low | 85 Ų | 85 | 120 Ų | 120 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | trans | -80.6 | 3.8 | 176.9 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | G74 F76 | S72-G74 PolarHBondContact O-N 3.29Å; S72-F76 PolarHBondContact OG-O 3.02Å | ||
| 73 | G | 58.1 | Low | 50.9 | Low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 74.3 | 8.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D71 | D71-G73 PolarHBondContact O-N 3.44Å; D71-G73 PolarHBondContact OD1-N 3.05Å |
| 74 | G | 65.7 | Low | 50.8 | Low | 66 Ų | 66 | 119 Ų | 119 | 68% | 0.68 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -112.9 | 7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S72 | S72-G74 PolarHBondContact O-N 3.29Š|
| 75 | G | 61.4 | Low | 50.6 | Low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 84.4 | 14.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 76 | F | 48.3 | Very low | 50.4 | Low | 166 Ų | 166 | 123 Ų | 123 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | trans | -125 | 134.7 | 169 | -98.5 | -95.4 | 0 | 0 | 0 | 110.1 | S72 | S72-F76 PolarHBondContact OG-O 3.02Š| ||
| 77 | F | 49.4 | Very low | 50.4 | Low | 132 Ų | 132 | 123.4 Ų | 123.4 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.1 | 173.8 | -63.6 | -63.7 | 0 | 0 | 0 | 109.4 | I69 D71 | I69-F77 HydrophobicContact CG2-CB 3.65Å; I69-F77 HydrophobicContact CG2-CD1 3.11Å; I69-F77 HydrophobicContact CG2-CE1 3.85Å; I69-F77 HydrophobicContact CG2-CG 3.54Å; D71-F77 HydrophobicContact CB-CD1 4.31Å; D71-F77 HydrophobicContact CB-CE1 3.98Å |
| 78 | I | 55.3 | Low | 50.1 | Low | 117 Ų | 117 | 129.6 Ų | 129.6 | 60% | 0.6 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 129.4 | 175.5 | -57.4 | 171.1 | 0 | 0 | 0 | 106.8 | ||
| 79 | D | 46.5 | Very low | 49.6 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.5 | 176.3 | -74.4 | -31.5 | 0 | 0 | 0 | 110 | I69 E81 | I69-D79 WeakPolarHBondContact CG1-OD1 3.47Å; D79-E81 PolarHBondContact O-N 3.38Å; D79-E81 VanDerWaalsContact O-N 3.09Å |
| 80 | E | 51.2 | Low | 49 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 59% | 0.589 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 11.5 | -173.4 | -95.7 | -175.9 | 165.2 | 0 | 0 | 115.5 | V70 | V70-E80 HydrophobicContact CG2-CG 4.38Å; V70-E80 VanDerWaalsContact CG2-OE1 3.27Å; V70-E80 WeakPolarHBondContact CG2-OE1 3.26Å |
| 81 | E | 42.2 | Very low | 48.6 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 17.9 | -174.4 | -72.9 | -171.4 | 177.8 | 0 | 0 | 115.6 | D79 | D79-E81 PolarHBondContact O-N 3.38Å; D79-E81 VanDerWaalsContact O-N 3.09Å |
| 82 | E | 41.9 | Very low | 48.5 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -122.2 | 31 | 174 | -140.7 | 177.2 | -161.7 | 0 | 0 | 113.9 | ||||
| 83 | E | 40.5 | Very low | 48 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | -106.9 | 75.4 | 167.3 | -69.5 | -166.1 | 176.6 | 0 | 0 | 110.6 | ||||
| 84 | G | 40 | Very low | 48.1 | Very low | 59 Ų | 59 | 144.4 Ų | 144.4 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -166.5 | 53.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 85 | Q | 35.8 | Very low | 48 | Very low | 196 Ų | 196 | 149 Ų | 149 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | 172.9 | 112.4 | 141.8 | -93.3 | 154.5 | 47.7 | 0 | 0 | 110.6 | E87 | Q85-E87 PolarHBondContact O-N 3.26Å; Q85-E87 VanDerWaalsContact O-N 3.13Å | ||
| 86 | E | 37.7 | Very low | 48.1 | Very low | 185 Ų | 185 | 153.7 Ų | 153.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -53.2 | 110.5 | 159.8 | -62.9 | 170.8 | 147.8 | 0 | 0 | 110.1 | ||||
| 87 | E | 40.9 | Very low | 49 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -134.7 | 94.6 | 130.6 | -81.8 | -160.1 | 173.6 | 0 | 0 | 107.7 | Q85 R89 | Q85-E87 PolarHBondContact O-N 3.26Å; Q85-E87 VanDerWaalsContact O-N 3.13Å; E87-R89 PolarHBondContact O-N 3.48Å; E87-R89 IonicContact OE2-CZ 3.87Å; E87-R89 IonicContact OE2-NE 3.62Å; E87-R89 PolarHBondContact OE2-NE 2.9Å | ||
| 88 | Q | 44.6 | Very low | 49.7 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -60.8 | 70.5 | 153.5 | -68.6 | 175.7 | -8.1 | 0 | 0 | 108.8 | T90 | Q88-T90 VanDerWaalsContact C-N 3.3Å; Q88-T90 PolarHBondContact O-N 3.17Å | ||
| 89 | R | 45.3 | Very low | 50.4 | Low | 190 Ų | 190 | 148.7 Ų | 148.7 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -78.8 | 94.9 | 151.2 | -79.4 | 179.6 | 175.5 | -159.9 | -5.9 | 104.9 | E87 K91 | E87-R89 PolarHBondContact O-N 3.48Å; E87-R89 IonicContact OE2-CZ 3.87Å; E87-R89 IonicContact OE2-NE 3.62Å; E87-R89 PolarHBondContact OE2-NE 2.9Å; R89-K91 PolarHBondContact O-N 3.39Å | ||
| 90 | T | 46.8 | Very low | 51 | Low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -52.5 | 89.1 | 150.9 | 48.5 | 0 | 0 | 0 | 0 | 106 | Q88 E92 | Q88-T90 VanDerWaalsContact C-N 3.3Å; Q88-T90 PolarHBondContact O-N 3.17Å; T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 PolarHBondContact O-N 3.46Å | ||
| 91 | K | 51.3 | Low | 51.8 | Low | 177 Ų | 177 | 150.9 Ų | 150.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -58 | 106.5 | 163.1 | -72.7 | 177.8 | -177.7 | 171.4 | 0 | 102.6 | R89 V93 | R89-K91 PolarHBondContact O-N 3.39Å; K91-V93 PolarHBondContact O-N 3.08Å | ||
| 92 | E | 51.8 | Low | 52.7 | Low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -53.4 | 102 | 166.6 | -163.9 | 174.2 | -158.1 | 0 | 0 | 104.4 | T90 V94 | T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 PolarHBondContact O-N 3.46Å; E92-V94 PolarHBondContact O-N 3.02Å | ||
| 93 | V | 53.8 | Low | 53.7 | Low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | trans | -69.8 | 89.4 | 176 | 177.1 | 0 | 0 | 0 | 0 | 103.2 | K91 H95 | K91-V93 PolarHBondContact O-N 3.08Å; V93-H95 PolarHBondContact O-N 3.03Å | ||
| 94 | V | 60.1 | Low | 55.4 | Low | 111 Ų | 111 | 139.3 Ų | 139.3 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | trans | -62.6 | 91.5 | 162.1 | -179.1 | 0 | 0 | 0 | 0 | 104 | E92 Q96 | E92-V94 PolarHBondContact O-N 3.02Å; V94-Q96 PolarHBondContact O-N 3.01Å | ||
| 95 | H | 62.9 | Low | 57.3 | Low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -56.3 | 100.3 | 159.4 | -101.6 | 11.1 | 0 | 0 | 0 | 104.6 | V93 P97 | V93-H95 PolarHBondContact O-N 3.03Å; H95-P97 WeakPolarHBondContact O-CD 3.3Å; H95-P97 VanDerWaalsContact O-N 3.13Å | ||
| 96 | Q | 63.5 | Low | 59.8 | Low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 124.2 | 161.3 | -66.8 | -154.2 | -10.7 | 0 | 0 | 105.1 | V94 A98 | V94-Q96 PolarHBondContact O-N 3.01Å; Q96-A98 PolarHBondContact O-N 3.27Å; Q96-A98 VanDerWaalsContact O-N 3.14Å |
| 97 | P | 67.1 | Low | 62.4 | Low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.1 | 173.9 | 23.8 | -32.1 | 0 | 0 | 0 | 106 | H95 | H95-P97 WeakPolarHBondContact O-CD 3.3Å; H95-P97 VanDerWaalsContact O-N 3.13Å |
| 98 | A | 63.7 | Low | 64.9 | Low | 79 Ų | 79 | 127 Ų | 127 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 134.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q96 V100 | Q96-A98 PolarHBondContact O-N 3.27Å; Q96-A98 VanDerWaalsContact O-N 3.14Å; A98-V100 PolarHBondContact O-N 2.98Å |
| 99 | P | 70.7 | Confident | 67.2 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 119.5 | 173.9 | -26 | 33.2 | 0 | 0 | 0 | 107.9 | I101 | P99-I101 PolarHBondContact O-N 3.49Š|
| 100 | V | 60.2 | Low | 69.3 | Low | 134 Ų | 134 | 117.6 Ų | 117.6 | 81% | 0.812 | 63% | 0.631 | S | S | * | * | trans | -67.8 | 93.5 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 104.6 | A98 E102 | A98-V100 PolarHBondContact O-N 2.98Å; V100-E102 PolarHBondContact O-N 3.39Å | ||
| 101 | I | 66.1 | Low | 71.6 | Confident | 149 Ų | 149 | 113.2 Ų | 113.2 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | trans | -61.5 | 108.6 | 166.5 | -57.7 | 170.8 | 0 | 0 | 0 | 103 | P99 A103 | P99-I101 PolarHBondContact O-N 3.49Å; I101-A103 VanDerWaalsContact C-N 3.25Å; I101-A103 PolarHBondContact O-N 2.8Å | ||
| 102 | E | 62.2 | Low | 73.5 | Confident | 162 Ų | 162 | 110.7 Ų | 110.7 | 76% | 0.757 | 60% | 0.6 | S | S | * | * | trans | -55.1 | 102.2 | 166.6 | -71.7 | 177 | -179 | 0 | 0 | 105.2 | V100 D104 | V100-E102 PolarHBondContact O-N 3.39Å; E102-D104 PolarHBondContact O-N 3.05Å | ||
| 103 | A | 62.9 | Low | 75.5 | Confident | 29 Ų | 29 | 109.1 Ų | 109.1 | 24% | 0.24 | 59% | 0.59 | C | S | . | * | trans | -62.5 | 112.6 | 173 | 0 | 0 | 0 | 0 | 0 | 105.4 | I101 Y105 M116 | I101-A103 VanDerWaalsContact C-N 3.25Å; I101-A103 PolarHBondContact O-N 2.8Å; A103-Y105 HydrophobicContact CB-CD2 4.14Å; A103-Y105 HydrophobicContact CB-CE2 3.63Å; A103-Y105 WeakPolarHBondContact O-CD2 3.48Å; A103-Y105 PolarHBondContact O-N 3.04Å; A103-M116 HydrophobicContact CB-CE 3.47Å; A103-M116 VanDerWaalsContact CB-CE 3.47Å; A103-M116 HydrophobicContact CB-CG 4.48Å; A103-M116 HydrophobicContact CB-SD 4Å | ||
| 104 | D | 75.4 | Confident | 77.3 | Confident | 139 Ų | 139 | 107.9 Ų | 107.9 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | trans | -64.6 | 86.8 | 175.8 | -71.9 | -32.6 | 0 | 0 | 0 | 108.3 | E102 L106 | E102-D104 PolarHBondContact O-N 3.05Å; D104-L106 PolarHBondContact O-N 3.31Å | ||
| 105 | Y | 81.3 | Confident | 78.8 | Confident | 148 Ų | 148 | 103.6 Ų | 103.6 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | trans | -71.6 | 113.8 | 176.5 | -70.5 | -80.5 | 0 | 0 | 0 | 108.6 | A103 P114 F115 M116 | A103-Y105 HydrophobicContact CB-CD2 4.14Å; A103-Y105 HydrophobicContact CB-CE2 3.63Å; A103-Y105 WeakPolarHBondContact O-CD2 3.48Å; A103-Y105 PolarHBondContact O-N 3.04Å; Y105-P114 HydrophobicContact CD1-CB 4.44Å; Y105-F115 CarbonylContact C-O 3.53Å; Y105-M116 HydrophobicContact CD1-CG 3.52Å; Y105-M116 HydrophobicContact CD1-SD 4.44Å; Y105-M116 HydrophobicContact CE1-CG 3.34Å; Y105-M116 HydrophobicContact CE1-SD 3.68Å; Y105-M116 HydrophobicContact CG-CG 4.44Å | ||
| 106 | L | 86.5 | Confident | 80 | Confident | 73 Ų | 73 | 100.2 Ų | 100.2 | 38% | 0.382 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 144.3 | 171.9 | -61.2 | 176.8 | 0 | 0 | 0 | 109.9 | D104 P114 F115 | D104-L106 PolarHBondContact O-N 3.31Å; L106-P114 CarbonylContact O-C 3.52Å; L106-P114 VanDerWaalsContact O-CA 3.3Å; L106-P114 WeakPolarHBondContact O-CA 3.32Å; L106-F115 HydrophobicContact CB-CD1 4.32Å; L106-F115 HydrophobicContact CB-CE1 3.78Å; L106-F115 HydrophobicContact CB-CE2 4.21Å; L106-F115 HydrophobicContact CB-CZ 3.72Å; L106-F115 HydrophobicContact CD1-CE2 4.24Å; L106-F115 HydrophobicContact CD1-CZ 4.13Å; L106-F115 PolarHBondContact N-O 2.95Å; L106-F115 VanDerWaalsContact O-CD1 3.26Å; L106-F115 WeakPolarHBondContact O-CD1 3.42Å; L106-F115 PolarHBondContact O-N 3.06Å; L106-F115 VanDerWaalsContact O-O 3.1Å |
| 107 | L | 92.7 | Very high | 81.2 | Confident | 109 Ų | 109 | 97.7 Ų | 97.7 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.6 | 172.1 | -62.4 | 177.5 | 0 | 0 | 0 | 109.5 | P114 | L107-P114 HydrophobicContact CD2-CB 4.15Å |
| 108 | C | 94.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 121.9 | -179.8 | 177.7 | 0 | 0 | 0 | 0 | 112 | D110 C111 D112 K113 F115 A127 C129 | C108-D110 PolarHBondContact O-N 3.46Å; C108-C111 PolarHBondContact O-N 2.98Å; C108-C111 VanDerWaalsContact O-N 3.16Å; C108-D112 VanDerWaalsContact O-CA 3.29Å; C108-D112 WeakPolarHBondContact O-CA 3.42Å; C108-D112 PolarHBondContact O-N 3.33Å; C108-K113 PolarHBondContact N-O 3.38Å; C108-F115 HydrophobicContact CB-CD1 3.84Å; C108-F115 HydrophobicContact CB-CE1 3.91Å; C108-A127 CarbonylContact C-O 3.59Å; C108-A127 VanDerWaalsContact CA-O 3.31Å; C108-A127 WeakPolarHBondContact CA-O 3.3Å; C108-C129 HydrophobicContact CB-CB 4.12Å; C108-C129 PolarHBondContact SG-N 3.2Å |
| 109 | D | 91.3 | Very high | 83.8 | Confident | 109 Ų | 109 | 92 Ų | 92 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.6 | -178.6 | -66.8 | -27.3 | 0 | 0 | 0 | 114.4 | A127 V128 | D109-A127 PolarHBondContact N-O 3.45Å; D109-V128 HydrophobicContact CB-CG2 4.37Å |
| 110 | D | 91.4 | Very high | 84.9 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -23.4 | -179.3 | -81 | -38.9 | 0 | 0 | 0 | 114.6 | C108 C132 K138 H139 | C108-D110 PolarHBondContact O-N 3.46Å; D110-C132 HydrophobicContact CB-CB 3.79Å; D110-K138 IonicContact OD1-NZ 2.77Å; D110-K138 PolarHBondContact OD1-NZ 3.18Å; D110-K138 IonicContact OD2-NZ 2.82Å; D110-H139 IonicContact OD2-CE1 3.36Å |
| 111 | C | 93.3 | Very high | 86.4 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | 1.9 | -172.9 | 73.5 | 0 | 0 | 0 | 0 | 115.5 | C108 K113 C132 | C108-C111 PolarHBondContact O-N 2.98Å; C108-C111 VanDerWaalsContact O-N 3.16Å; C111-K113 PolarHBondContact O-N 2.9Å; C111-C132 VanDerWaalsContact SG-SG 3.61Å |
| 112 | D | 92.5 | Very high | 87.7 | Confident | 125 Ų | 125 | 78.2 Ų | 78.2 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | trans | 54.7 | 13.4 | 179.2 | -55.9 | -47.5 | 0 | 0 | 0 | 115.4 | C108 | C108-D112 VanDerWaalsContact O-CA 3.29Å; C108-D112 WeakPolarHBondContact O-CA 3.42Å; C108-D112 PolarHBondContact O-N 3.33Å | ||
| 113 | K | 92.6 | Very high | 89.1 | Confident | 140 Ų | 140 | 71.2 Ų | 71.2 | 61% | 0.609 | 37% | 0.372 | S | S | * | . | trans | -79.6 | 138.4 | 176.7 | -68.1 | 177.1 | -175.1 | -179.4 | 0 | 110.1 | C108 C111 F115 | C108-K113 PolarHBondContact N-O 3.38Å; C111-K113 PolarHBondContact O-N 2.9Å; K113-F115 PolarHBondContact O-N 3.42Å | ||
| 114 | P | 92.5 | Very high | 90.5 | Very high | 87 Ų | 87 | 69.9 Ų | 69.9 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 132.4 | 171.6 | 28.3 | -33 | 0 | 0 | 0 | 109.8 | Y105 L106 L107 | Y105-P114 HydrophobicContact CD1-CB 4.44Å; L106-P114 CarbonylContact O-C 3.52Å; L106-P114 VanDerWaalsContact O-CA 3.3Å; L106-P114 WeakPolarHBondContact O-CA 3.32Å; L107-P114 HydrophobicContact CD2-CB 4.15Å |
| 115 | F | 92.4 | Very high | 91.3 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 9% | 0.092 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.9 | 171.5 | 73.3 | -81 | 0 | 0 | 0 | 108.6 | Y105 L106 C108 K113 S118 A127 C129 | Y105-F115 CarbonylContact C-O 3.53Å; L106-F115 HydrophobicContact CB-CD1 4.32Å; L106-F115 HydrophobicContact CB-CE1 3.78Å; L106-F115 HydrophobicContact CB-CE2 4.21Å; L106-F115 HydrophobicContact CB-CZ 3.72Å; L106-F115 HydrophobicContact CD1-CE2 4.24Å; L106-F115 HydrophobicContact CD1-CZ 4.13Å; L106-F115 PolarHBondContact N-O 2.95Å; L106-F115 VanDerWaalsContact O-CD1 3.26Å; L106-F115 WeakPolarHBondContact O-CD1 3.42Å; L106-F115 PolarHBondContact O-N 3.06Å; L106-F115 VanDerWaalsContact O-O 3.1Å; C108-F115 HydrophobicContact CB-CD1 3.84Å; C108-F115 HydrophobicContact CB-CE1 3.91Å; K113-F115 PolarHBondContact O-N 3.42Å; F115-S118 WeakPolarHBondContact CE2-OG 3.49Å; F115-A127 HydrophobicContact CZ-CB 4.43Å; F115-C129 HydrophobicContact CB-CB 4.15Å; F115-C129 HydrophobicContact CD1-CB 4.04Å; F115-C129 HydrophobicContact CG-CB 3.97Å |
| 116 | M | 87.6 | Confident | 91.8 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -91.4 | -70 | 177.1 | -66 | 178.6 | 60.3 | 0 | 0 | 109.1 | A103 Y105 | A103-M116 HydrophobicContact CB-CE 3.47Å; A103-M116 VanDerWaalsContact CB-CE 3.47Å; A103-M116 HydrophobicContact CB-CG 4.48Å; A103-M116 HydrophobicContact CB-SD 4Å; Y105-M116 HydrophobicContact CD1-CG 3.52Å; Y105-M116 HydrophobicContact CD1-SD 4.44Å; Y105-M116 HydrophobicContact CE1-CG 3.34Å; Y105-M116 HydrophobicContact CE1-SD 3.68Å; Y105-M116 HydrophobicContact CG-CG 4.44Å |
| 117 | D | 88.2 | Confident | 92.1 | Very high | 114 Ų | 114 | 60.1 Ų | 60.1 | 61% | 0.61 | 32% | 0.322 | S | S | * | . | trans | -116.5 | 146.9 | -178.1 | -64.8 | -23.2 | 0 | 0 | 0 | 110.6 | ||||
| 118 | S | 92.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | trans | -143.7 | 163.8 | 168.8 | 73.4 | 0 | 0 | 0 | 0 | 110.2 | F115 L120 S121 N122 V128 | F115-S118 WeakPolarHBondContact CE2-OG 3.49Å; S118-L120 PolarHBondContact O-N 3.16Å; S118-S121 WeakPolarHBondContact CA-OG 3.45Å; S118-S121 PolarHBondContact N-OG 3.44Å; S118-S121 PolarHBondContact O-N 2.9Å; S118-S121 PolarHBondContact O-OG 2.92Å; S118-S121 WeakPolarHBondContact OG-CB 3.35Å; S118-S121 PolarHBondContact OG-N 2.91Å; S118-S121 PolarHBondContact OG-OG 3.27Å; S118-N122 WeakPolarHBondContact O-CB 3.41Å; S118-N122 PolarHBondContact O-N 3.45Å; S118-N122 PolarHBondContact O-ND2 3.13Å; S118-V128 WeakPolarHBondContact CB-O 3.44Å; S118-V128 PolarHBondContact OG-O 3.04Å | ||
| 119 | Y | 93 | Very high | 92.1 | Very high | 73 Ų | 73 | 55.7 Ų | 55.7 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 175.9 | 176.9 | -95.2 | 0 | 0 | 0 | 112.3 | G123 F124 D130 R133 L141 | Y119-G123 PolarHBondContact O-N 2.89Å; Y119-F124 AromaticContact CE1-CE2 3.96Å; Y119-F124 HydrophobicContact CE1-CE2 3.96Å; Y119-D130 WeakPolarHBondContact CB-OD1 3.43Å; Y119-D130 PolarHBondContact N-OD1 3.09Å; Y119-R133 VanDerWaalsContact CE1-CZ 3.47Å; Y119-R133 VanDerWaalsContact CE1-NH2 3.26Å; Y119-L141 HydrophobicContact CE1-CD1 4.37Å |
| 120 | L | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.3 | -35.5 | -176 | -67.2 | 175.5 | 0 | 0 | 0 | 112.7 | S118 F124 D125 L126 V128 R133 H139 L185 | S118-L120 PolarHBondContact O-N 3.16Å; L120-F124 HydrophobicContact CD2-CD2 4.03Å; L120-F124 HydrophobicContact CD2-CE2 4.49Å; L120-F124 CarbonylContact O-C 3.58Å; L120-F124 WeakPolarHBondContact O-CA 3.38Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.31Å; L120-D125 PolarHBondContact O-N 3.36Å; L120-L126 CarbonylContact C-O 3.59Å; L120-L126 HydrophobicContact CB-CB 4.23Å; L120-L126 HydrophobicContact CB-CD2 4.35Å; L120-L126 HydrophobicContact CD1-CD2 4.05Å; L120-L126 PolarHBondContact O-N 3.06Å; L120-V128 HydrophobicContact CD1-CB 3.98Å; L120-V128 HydrophobicContact CD1-CG1 4.08Å; L120-R133 HydrophobicContact CD1-CB 4.23Å; L120-R133 HydrophobicContact CD1-CG 3.96Å; L120-R133 HydrophobicContact CG-CG 4.33Å; L120-H139 HydrophobicContact CD1-CB 3.94Å; L120-H139 VanDerWaalsContact CD1-CD2 3.46Å; L120-H139 WeakPolarHBondContact CD1-CD2 3.4Å; L120-H139 HydrophobicContact CD2-CB 4.15Å; L120-L185 HydrophobicContact CD2-CD1 4.27Å |
| 121 | S | 92.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.6 | -49.5 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | S118 G123 D125 L126 | S118-S121 WeakPolarHBondContact CA-OG 3.45Å; S118-S121 PolarHBondContact N-OG 3.44Å; S118-S121 PolarHBondContact O-N 2.9Å; S118-S121 PolarHBondContact O-OG 2.92Å; S118-S121 WeakPolarHBondContact OG-CB 3.35Å; S118-S121 PolarHBondContact OG-N 2.91Å; S118-S121 PolarHBondContact OG-OG 3.27Å; S121-G123 PolarHBondContact O-N 3.42Å; S121-D125 VanDerWaalsContact O-CA 3.3Å; S121-D125 WeakPolarHBondContact O-CA 3.48Å; S121-D125 PolarHBondContact O-N 2.91Å; S121-L126 WeakPolarHBondContact CA-O 3.37Å; S121-L126 PolarHBondContact N-O 3.23Å; S121-L126 VanDerWaalsContact N-O 3.09Å |
| 122 | N | 91.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | -179.7 | -72.6 | -20.8 | 0 | 0 | 0 | 113.1 | S118 | S118-N122 WeakPolarHBondContact O-CB 3.41Å; S118-N122 PolarHBondContact O-N 3.45Å; S118-N122 PolarHBondContact O-ND2 3.13Å |
| 123 | G | 91.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 55.8 Ų | 55.8 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84 | -36.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y119 S121 R166 | Y119-G123 PolarHBondContact O-N 2.89Å; S121-G123 PolarHBondContact O-N 3.42Å; G123-R166 WeakPolarHBondContact O-CB 3.47Å |
| 124 | F | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -132.6 | 3.6 | -165.9 | -59 | -79.2 | 0 | 0 | 0 | 114.2 | Y119 L120 L126 L141 V168 L185 Q188 | Y119-F124 AromaticContact CE1-CE2 3.96Å; Y119-F124 HydrophobicContact CE1-CE2 3.96Å; L120-F124 HydrophobicContact CD2-CD2 4.03Å; L120-F124 HydrophobicContact CD2-CE2 4.49Å; L120-F124 CarbonylContact O-C 3.58Å; L120-F124 WeakPolarHBondContact O-CA 3.38Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.31Å; F124-L126 PolarHBondContact O-N 3.21Å; F124-L141 HydrophobicContact CE1-CD2 4.18Å; F124-L141 HydrophobicContact CE2-CD2 3.66Å; F124-L141 HydrophobicContact CZ-CD1 4.47Å; F124-L141 HydrophobicContact CZ-CD2 3.39Å; F124-V168 HydrophobicContact CE1-CG2 4.35Å; F124-V168 HydrophobicContact CE2-CG2 3.7Å; F124-V168 HydrophobicContact CZ-CB 4.2Å; F124-V168 HydrophobicContact CZ-CG2 3.53Å; F124-L185 HydrophobicContact CB-CD2 4.44Å; F124-L185 HydrophobicContact CD1-CB 3.86Å; F124-L185 HydrophobicContact CE1-CB 4.18Å; F124-L185 HydrophobicContact CG-CB 4.17Å; F124-Q188 PolarHBondContact O-NE2 3.01Å |
| 125 | D | 90.8 | Very high | 92 | Very high | 102 Ų | 102 | 51.8 Ų | 51.8 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | trans | 55.7 | 34.3 | -173.7 | -58.2 | -22.9 | 0 | 0 | 0 | 112.9 | L120 S121 R166 | L120-D125 PolarHBondContact O-N 3.36Å; S121-D125 VanDerWaalsContact O-CA 3.3Å; S121-D125 WeakPolarHBondContact O-CA 3.48Å; S121-D125 PolarHBondContact O-N 2.91Å; D125-R166 VanDerWaalsContact CG-NH2 3.31Å; D125-R166 IonicContact OD1-CZ 2.76Å; D125-R166 IonicContact OD1-NE 3.51Å; D125-R166 PolarHBondContact OD1-NE 3.01Å; D125-R166 VanDerWaalsContact OD1-NE 3.14Å; D125-R166 IonicContact OD1-NH1 4Å; D125-R166 PolarHBondContact OD1-NH1 3.15Å; D125-R166 IonicContact OD1-NH2 2.81Å; D125-R166 PolarHBondContact OD1-NH2 2.9Å; D125-R166 IonicContact OD2-CZ 3.32Å; D125-R166 IonicContact OD2-NE 2.71Å; D125-R166 PolarHBondContact OD2-NE 2.91Å; D125-R166 IonicContact OD2-NH2 3.13Å; D125-R166 PolarHBondContact OD2-NH2 3.44Å | ||
| 126 | L | 92.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | trans | -104.8 | 122.9 | 176.8 | -166.8 | 90.5 | 0 | 0 | 0 | 110.3 | L120 S121 F124 V128 L185 | L120-L126 CarbonylContact C-O 3.59Å; L120-L126 HydrophobicContact CB-CB 4.23Å; L120-L126 HydrophobicContact CB-CD2 4.35Å; L120-L126 HydrophobicContact CD1-CD2 4.05Å; L120-L126 PolarHBondContact O-N 3.06Å; S121-L126 WeakPolarHBondContact CA-O 3.37Å; S121-L126 PolarHBondContact N-O 3.23Å; S121-L126 VanDerWaalsContact N-O 3.09Å; F124-L126 PolarHBondContact O-N 3.21Å; L126-V128 HydrophobicContact CD2-CB 4.17Å; L126-V128 HydrophobicContact CD2-CG2 3.6Å; L126-V128 HydrophobicContact CG-CG2 4Å; L126-V128 PolarHBondContact O-N 2.98Å; L126-L185 HydrophobicContact CD1-CD2 4.39Å; L126-L185 HydrophobicContact CD2-CD2 4.07Å | ||
| 127 | A | 92.9 | Very high | 91.7 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | trans | -78 | 62.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C108 D109 F115 | C108-A127 CarbonylContact C-O 3.59Å; C108-A127 VanDerWaalsContact CA-O 3.31Å; C108-A127 WeakPolarHBondContact CA-O 3.3Å; D109-A127 PolarHBondContact N-O 3.45Å; F115-A127 HydrophobicContact CZ-CB 4.43Å | ||
| 128 | V | 93.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | trans | -126.5 | 128.1 | 179.8 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | D109 S118 L120 L126 C132 | D109-V128 HydrophobicContact CB-CG2 4.37Å; S118-V128 WeakPolarHBondContact CB-O 3.44Å; S118-V128 PolarHBondContact OG-O 3.04Å; L120-V128 HydrophobicContact CD1-CB 3.98Å; L120-V128 HydrophobicContact CD1-CG1 4.08Å; L126-V128 HydrophobicContact CD2-CB 4.17Å; L126-V128 HydrophobicContact CD2-CG2 3.6Å; L126-V128 HydrophobicContact CG-CG2 4Å; L126-V128 PolarHBondContact O-N 2.98Å; V128-C132 HydrophobicContact CG1-CB 3.75Å | ||
| 129 | C | 94.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | trans | -70.4 | 156.4 | 177.2 | 75.2 | 0 | 0 | 0 | 0 | 111.9 | C108 F115 N131 C132 R133 | C108-C129 HydrophobicContact CB-CB 4.12Å; C108-C129 PolarHBondContact SG-N 3.2Å; F115-C129 HydrophobicContact CB-CB 4.15Å; F115-C129 HydrophobicContact CD1-CB 4.04Å; F115-C129 HydrophobicContact CG-CB 3.97Å; C129-N131 PolarHBondContact O-N 3.34Å; C129-N131 VanDerWaalsContact O-N 3.14Å; C129-C132 PolarHBondContact O-N 3.48Å; C129-C132 VanDerWaalsContact SG-SG 3.64Å; C129-R133 PolarHBondContact O-N 3.44Å | ||
| 130 | D | 92.8 | Very high | 91.8 | Very high | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.6 | -176.9 | -71.1 | -38.2 | 0 | 0 | 0 | 113.8 | Y119 R133 | Y119-D130 WeakPolarHBondContact CB-OD1 3.43Å; Y119-D130 PolarHBondContact N-OD1 3.09Å; D130-R133 WeakPolarHBondContact O-CB 3.42Å; D130-R133 PolarHBondContact O-N 3.21Å |
| 131 | N | 92.3 | Very high | 91.9 | Very high | 159 Ų | 159 | 61.9 Ų | 61.9 | 85% | 0.85 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -30.8 | 175.5 | -65.3 | -38.1 | 0 | 0 | 0 | 112.7 | C129 R133 | C129-N131 PolarHBondContact O-N 3.34Å; C129-N131 VanDerWaalsContact O-N 3.14Å; N131-R133 VanDerWaalsContact C-N 3.34Å |
| 132 | C | 93.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.7 | 177.8 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | D110 C111 V128 C129 D134 | D110-C132 HydrophobicContact CB-CB 3.79Å; C111-C132 VanDerWaalsContact SG-SG 3.61Å; V128-C132 HydrophobicContact CG1-CB 3.75Å; C129-C132 PolarHBondContact O-N 3.48Å; C129-C132 VanDerWaalsContact SG-SG 3.64Å; C132-D134 PolarHBondContact O-N 3.36Å |
| 133 | R | 92.7 | Very high | 92.4 | Very high | 69 Ų | 69 | 58 Ų | 58 | 26% | 0.26 | 31% | 0.305 | S | S | . | . | trans | -68.9 | 102 | -179.2 | 179.7 | -177.5 | 169.2 | -174.2 | 1.6 | 111.4 | Y119 L120 C129 D130 N131 N135 | Y119-R133 VanDerWaalsContact CE1-CZ 3.47Å; Y119-R133 VanDerWaalsContact CE1-NH2 3.26Å; L120-R133 HydrophobicContact CD1-CB 4.23Å; L120-R133 HydrophobicContact CD1-CG 3.96Å; L120-R133 HydrophobicContact CG-CG 4.33Å; C129-R133 PolarHBondContact O-N 3.44Å; D130-R133 WeakPolarHBondContact O-CB 3.42Å; D130-R133 PolarHBondContact O-N 3.21Å; N131-R133 VanDerWaalsContact C-N 3.34Å; R133-N135 VanDerWaalsContact CZ-OD1 3.22Å; R133-N135 PolarHBondContact NE-OD1 3.04Å; R133-N135 PolarHBondContact NH2-OD1 3.22Å | ||
| 134 | D | 92.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | trans | -92.5 | 110.8 | 167.7 | 179.8 | 4.5 | 0 | 0 | 0 | 112.6 | C132 E136 V137 H139 | C132-D134 PolarHBondContact O-N 3.36Å; D134-E136 PolarHBondContact OD1-N 3.5Å; D134-V137 PolarHBondContact OD1-N 3.43Å; D134-V137 VanDerWaalsContact OD2-CB 3.28Å; D134-V137 WeakPolarHBondContact OD2-CB 3.02Å; D134-H139 PolarHBondContact N-ND1 3.4Å; D134-H139 CarbonylContact O-C 3.57Å; D134-H139 VanDerWaalsContact O-CA 3.24Å; D134-H139 WeakPolarHBondContact O-CA 3.48Å; D134-H139 WeakPolarHBondContact O-CB 3.37Å; D134-H139 PolarHBondContact O-N 2.94Å; D134-H139 PolarHBondContact O-ND1 3.43Å | ||
| 135 | N | 88.6 | Confident | 92.6 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15 | -179.5 | -68.5 | -59.1 | 0 | 0 | 0 | 114.4 | R133 K140 | R133-N135 VanDerWaalsContact CZ-OD1 3.22Å; R133-N135 PolarHBondContact NE-OD1 3.04Å; R133-N135 PolarHBondContact NH2-OD1 3.22Å; N135-K140 WeakPolarHBondContact O-CA 3.44Å |
| 136 | E | 86.9 | Confident | 92.9 | Very high | 166 Ų | 166 | 62.5 Ų | 62.5 | 78% | 0.776 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -44.9 | -171.8 | -65.2 | -169.6 | 173.3 | 0 | 0 | 112 | D134 | D134-E136 PolarHBondContact OD1-N 3.5Š|
| 137 | V | 87 | Confident | 93.1 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 65% | 0.648 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -74 | -173.6 | -169 | 0 | 0 | 0 | 0 | 111.2 | D134 | D134-V137 PolarHBondContact OD1-N 3.43Å; D134-V137 VanDerWaalsContact OD2-CB 3.28Å; D134-V137 WeakPolarHBondContact OD2-CB 3.02Å |
| 138 | K | 88.3 | Confident | 93.3 | Very high | 108 Ų | 108 | 63 Ų | 63 | 47% | 0.47 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -48.5 | -170.1 | -68.3 | -176 | 178.7 | 179.8 | 0 | 113.3 | D110 | D110-K138 IonicContact OD1-NZ 2.77Å; D110-K138 PolarHBondContact OD1-NZ 3.18Å; D110-K138 IonicContact OD2-NZ 2.82Å |
| 139 | H | 91.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.028 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 31.5 | -171.3 | -42 | 100.6 | 0 | 0 | 0 | 112.6 | D110 L120 D134 L141 L185 | D110-H139 IonicContact OD2-CE1 3.36Å; L120-H139 HydrophobicContact CD1-CB 3.94Å; L120-H139 VanDerWaalsContact CD1-CD2 3.46Å; L120-H139 WeakPolarHBondContact CD1-CD2 3.4Å; L120-H139 HydrophobicContact CD2-CB 4.15Å; D134-H139 PolarHBondContact N-ND1 3.4Å; D134-H139 CarbonylContact O-C 3.57Å; D134-H139 VanDerWaalsContact O-CA 3.24Å; D134-H139 WeakPolarHBondContact O-CA 3.48Å; D134-H139 WeakPolarHBondContact O-CB 3.37Å; D134-H139 PolarHBondContact O-N 2.94Å; D134-H139 PolarHBondContact O-ND1 3.43Å; H139-L141 PolarHBondContact O-N 2.94Å; H139-L185 HydrophobicContact CB-CD1 3.99Å |
| 140 | K | 95.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 72.9 Ų | 72.9 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | trans | -61.6 | 131.7 | 176.3 | -173.5 | 175.1 | 179.3 | 179.8 | 0 | 110.4 | N135 K186 | N135-K140 WeakPolarHBondContact O-CA 3.44Å; K140-K186 HydrophobicContact CB-CB 4.44Å; K140-K186 HydrophobicContact CB-CD 4.48Å; K140-K186 WeakPolarHBondContact O-CB 3.27Å; K140-K186 PolarHBondContact O-N 3.5Å | ||
| 141 | L | 95.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136.8 | 174 | -59.3 | -179 | 0 | 0 | 0 | 110.1 | Y119 F124 H139 L183 Y184 L185 | Y119-L141 HydrophobicContact CE1-CD1 4.37Å; F124-L141 HydrophobicContact CE1-CD2 4.18Å; F124-L141 HydrophobicContact CE2-CD2 3.66Å; F124-L141 HydrophobicContact CZ-CD1 4.47Å; F124-L141 HydrophobicContact CZ-CD2 3.39Å; H139-L141 PolarHBondContact O-N 2.94Å; L141-L183 HydrophobicContact CB-CB 4.31Å; L141-L183 HydrophobicContact CD1-CB 4.48Å; L141-L183 HydrophobicContact CD1-CD1 4.25Å; L141-Y184 CarbonylContact C-O 3.12Å; L141-Y184 WeakPolarHBondContact CA-O 3.4Å; L141-L185 HydrophobicContact CD2-CD1 3.92Å |
| 142 | I | 96.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.9 | 177 | 57.3 | 172.7 | 0 | 0 | 0 | 110.6 | E146 A147 Y151 L183 Y184 K186 V189 | I142-E146 HydrophobicContact CB-CG 4.27Å; I142-E146 HydrophobicContact CG2-CG 4.47Å; I142-A147 HydrophobicContact CD1-CB 3.91Å; I142-A147 HydrophobicContact CG1-CB 4.42Å; I142-Y151 HydrophobicContact CD1-CD2 4.38Å; I142-Y151 HydrophobicContact CD1-CE2 3.83Å; I142-L183 WeakPolarHBondContact O-CA 3.25Å; I142-Y184 PolarHBondContact N-O 3.05Å; I142-Y184 PolarHBondContact O-N 3.12Å; I142-K186 HydrophobicContact CD1-CB 4.38Å; I142-K186 HydrophobicContact CD1-CG 4.45Å; I142-K186 HydrophobicContact CG1-CB 4.42Å; I142-K186 HydrophobicContact CG2-CB 4.21Å; I142-K186 HydrophobicContact CG2-CG 4.47Å; I142-V189 HydrophobicContact CD1-CB 4Å; I142-V189 HydrophobicContact CD1-CG1 4.02Å; I142-V189 HydrophobicContact CD1-CG2 4.03Å; I142-V189 HydrophobicContact CG1-CG2 4.42Å |
| 143 | S | 96.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 154.3 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | T145 E146 A147 | S143-T145 PolarHBondContact O-N 3.28Å; S143-T145 VanDerWaalsContact O-N 3.17Å; S143-T145 PolarHBondContact OG-OG1 3.27Å; S143-T145 VanDerWaalsContact OG-OG1 3.05Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CB 3.4Å; S143-E146 PolarHBondContact O-N 2.9Å; S143-E146 WeakPolarHBondContact OG-CB 3.41Å; S143-E146 PolarHBondContact OG-N 3.44Å; S143-A147 PolarHBondContact O-N 2.89Å |
| 144 | R | 95.9 | Very high | 94 | Very high | 61 Ų | 61 | 65 Ų | 65 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -50.2 | -41.7 | 173.4 | -171.4 | 177.1 | 175.5 | 158.1 | 15.4 | 112.8 | K148 D155 L158 D159 K182 Y184 | R144-K148 HydrophobicContact CG-CD 4.27Å; R144-K148 VanDerWaalsContact O-CG 3.25Å; R144-K148 WeakPolarHBondContact O-CG 3.5Å; R144-K148 PolarHBondContact O-N 3.08Å; R144-K148 VanDerWaalsContact O-N 3.14Å; R144-D155 IonicContact CZ-OD1 2.69Å; R144-D155 VanDerWaalsContact CZ-OD1 3.32Å; R144-D155 IonicContact NE-OD1 3.01Å; R144-D155 PolarHBondContact NE-OD1 3.34Å; R144-D155 VanDerWaalsContact NE-OD1 3.13Å; R144-D155 IonicContact NH2-OD1 3.22Å; R144-D155 PolarHBondContact NH2-OD1 2.72Å; R144-L158 HydrophobicContact CG-CD1 4.03Å; R144-D159 IonicContact CZ-OD2 3.71Å; R144-D159 IonicContact NH1-OD2 3.74Å; R144-D159 IonicContact NH2-OD1 3.29Å; R144-D159 IonicContact NH2-OD2 2.79Å; R144-D159 PolarHBondContact NH2-OD2 3.39Å; R144-K182 HydrophobicContact CB-CB 4.28Å; R144-K182 PolarHBondContact N-O 2.86Å; R144-Y184 HydrophobicContact CB-CD2 4.35Å; R144-Y184 HydrophobicContact CB-CE2 3.82Å; R144-Y184 HydrophobicContact CG-CE2 3.98Å |
| 145 | T | 95.5 | Very high | 94.1 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 179.3 | 41 | 0 | 0 | 0 | 0 | 112 | S143 K148 Q149 | S143-T145 PolarHBondContact O-N 3.28Å; S143-T145 VanDerWaalsContact O-N 3.17Å; S143-T145 PolarHBondContact OG-OG1 3.27Å; S143-T145 VanDerWaalsContact OG-OG1 3.05Å; T145-K148 PolarHBondContact O-N 2.93Å; T145-Q149 WeakPolarHBondContact O-CB 3.42Å; T145-Q149 VanDerWaalsContact O-CG 3.22Å; T145-Q149 WeakPolarHBondContact O-CG 3.49Å; T145-Q149 PolarHBondContact O-N 3.43Å |
| 146 | E | 96.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 177.5 | -178.5 | 178.8 | -172 | 0 | 0 | 111 | I142 S143 K148 Q149 L150 | I142-E146 HydrophobicContact CB-CG 4.27Å; I142-E146 HydrophobicContact CG2-CG 4.47Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CB 3.4Å; S143-E146 PolarHBondContact O-N 2.9Å; S143-E146 WeakPolarHBondContact OG-CB 3.41Å; S143-E146 PolarHBondContact OG-N 3.44Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.49Å; E146-Q149 PolarHBondContact O-N 3.42Å; E146-Q149 VanDerWaalsContact O-N 3.17Å; E146-L150 HydrophobicContact CG-CD1 3.53Å; E146-L150 HydrophobicContact CG-CG 4.08Å; E146-L150 WeakPolarHBondContact O-CB 3.38Å; E146-L150 WeakPolarHBondContact O-CG 3.41Å; E146-L150 PolarHBondContact O-N 3.37Å |
| 147 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I142 S143 Q149 Y151 V189 | I142-A147 HydrophobicContact CD1-CB 3.91Å; I142-A147 HydrophobicContact CG1-CB 4.42Å; S143-A147 PolarHBondContact O-N 2.89Å; A147-Q149 PolarHBondContact O-N 2.9Å; A147-Y151 WeakPolarHBondContact O-CB 3.41Å; A147-Y151 PolarHBondContact O-N 2.92Å; A147-V189 HydrophobicContact CB-CG1 3.81Å; A147-V189 HydrophobicContact CB-CG2 4.25Å |
| 148 | K | 96.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67 | -34.5 | 178.3 | -68 | 174.1 | 67.6 | 171.7 | 0 | 113.3 | R144 T145 E146 L152 L153 D155 L158 | R144-K148 HydrophobicContact CG-CD 4.27Å; R144-K148 VanDerWaalsContact O-CG 3.25Å; R144-K148 WeakPolarHBondContact O-CG 3.5Å; R144-K148 PolarHBondContact O-N 3.08Å; R144-K148 VanDerWaalsContact O-N 3.14Å; T145-K148 PolarHBondContact O-N 2.93Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.49Å; K148-L152 WeakPolarHBondContact O-CA 3.38Å; K148-L152 PolarHBondContact O-N 2.86Å; K148-L153 WeakPolarHBondContact CG-O 3.46Å; K148-D155 WeakPolarHBondContact CD-OD1 3.28Å; K148-D155 WeakPolarHBondContact CE-OD1 3.4Å; K148-D155 IonicContact NZ-OD1 2.86Å; K148-D155 PolarHBondContact NZ-OD1 2.93Å; K148-D155 IonicContact NZ-OD2 2.85Å; K148-D155 PolarHBondContact NZ-OD2 2.76Å; K148-L158 HydrophobicContact CG-CD1 4.05Å |
| 149 | Q | 95.4 | Very high | 95.4 | Very high | 143 Ų | 143 | 48.5 Ų | 48.5 | 67% | 0.668 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -77.4 | -47.4 | -179.7 | -74 | 173.2 | 5.5 | 0 | 0 | 111.6 | T145 E146 A147 L152 | T145-Q149 WeakPolarHBondContact O-CB 3.42Å; T145-Q149 VanDerWaalsContact O-CG 3.22Å; T145-Q149 WeakPolarHBondContact O-CG 3.49Å; T145-Q149 PolarHBondContact O-N 3.43Å; E146-Q149 PolarHBondContact O-N 3.42Å; E146-Q149 VanDerWaalsContact O-N 3.17Å; A147-Q149 PolarHBondContact O-N 2.9Å; Q149-L152 WeakPolarHBondContact O-CD2 3.47Å |
| 150 | L | 95.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76.7 | -34.4 | -176.3 | -65.9 | -178.4 | 0 | 0 | 0 | 113.1 | E146 K207 | E146-L150 HydrophobicContact CG-CD1 3.53Å; E146-L150 HydrophobicContact CG-CG 4.08Å; E146-L150 WeakPolarHBondContact O-CB 3.38Å; E146-L150 WeakPolarHBondContact O-CG 3.41Å; E146-L150 PolarHBondContact O-N 3.37Å; L150-K207 WeakPolarHBondContact O-CE 3.24Å; L150-K207 PolarHBondContact O-NZ 3.41Å |
| 151 | Y | 95.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -110.5 | 9.6 | -177.5 | -58.9 | -81.7 | 0 | 0 | 0 | 112.9 | I142 A147 L153 K186 V189 E190 W197 L203 | I142-Y151 HydrophobicContact CD1-CD2 4.38Å; I142-Y151 HydrophobicContact CD1-CE2 3.83Å; A147-Y151 WeakPolarHBondContact O-CB 3.41Å; A147-Y151 PolarHBondContact O-N 2.92Å; Y151-L153 PolarHBondContact O-N 3.09Å; Y151-K186 WeakPolarHBondContact OH-CE 3.32Å; Y151-V189 HydrophobicContact CD2-CG1 3.43Å; Y151-V189 VanDerWaalsContact CD2-CG1 3.43Å; Y151-V189 HydrophobicContact CE2-CG1 3.9Å; Y151-V189 HydrophobicContact CG-CG1 3.92Å; Y151-E190 HydrophobicContact CD1-CG 4.41Å; Y151-E190 HydrophobicContact CE1-CB 4.44Å; Y151-E190 HydrophobicContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CZ-CG 3.47Å; Y151-E190 WeakPolarHBondContact OH-CG 3.32Å; Y151-E190 PolarHBondContact OH-OE1 3.48Å; Y151-W197 PolarHBondContact O-NE1 3.43Å; Y151-L203 HydrophobicContact CD1-CD2 4.14Å; Y151-L203 VanDerWaalsContact O-CD1 3.27Å; Y151-L203 WeakPolarHBondContact O-CD1 3.35Å |
| 152 | L | 95.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | trans | 51.7 | 23.7 | 179.1 | -51.5 | -176.9 | 0 | 0 | 0 | 114.5 | K148 Q149 W197 L203 A206 K207 R210 | K148-L152 WeakPolarHBondContact O-CA 3.38Å; K148-L152 PolarHBondContact O-N 2.86Å; Q149-L152 WeakPolarHBondContact O-CD2 3.47Å; L152-W197 HydrophobicContact CB-CZ2 3.65Å; L152-W197 HydrophobicContact CD1-CZ2 4.17Å; L152-L203 HydrophobicContact CB-CD1 4.3Å; L152-L203 HydrophobicContact CD1-CD1 4.43Å; L152-L203 HydrophobicContact CG-CD1 4.26Å; L152-A206 HydrophobicContact CD1-CB 3.81Å; L152-K207 HydrophobicContact CD1-CG 3.82Å; L152-K207 HydrophobicContact CD2-CG 4.28Å; L152-K207 HydrophobicContact CG-CG 4.13Å; L152-R210 VanDerWaalsContact CD2-NH1 3.26Å | ||
| 153 | L | 95.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | trans | -73.6 | 148.2 | -177.8 | -66.7 | 176.3 | 0 | 0 | 0 | 112 | K148 Y151 D157 L158 V189 R192 V196 | K148-L153 WeakPolarHBondContact CG-O 3.46Å; Y151-L153 PolarHBondContact O-N 3.09Å; L153-D157 HydrophobicContact CB-CB 4.44Å; L153-D157 HydrophobicContact CD2-CB 4.07Å; L153-L158 HydrophobicContact CD1-CD2 3.85Å; L153-V189 HydrophobicContact CD1-CG1 3.69Å; L153-R192 HydrophobicContact CD1-CG 4.25Å; L153-R192 HydrophobicContact CD2-CG 4.41Å; L153-V196 HydrophobicContact CD2-CB 4.12Å; L153-V196 HydrophobicContact CD2-CG1 4.37Å; L153-V196 HydrophobicContact CD2-CG2 3.91Å | ||
| 154 | K | 96.1 | Very high | 94.6 | Very high | 138 Ų | 138 | 70.2 Ų | 70.2 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | trans | -94 | 167.5 | 172.3 | -60.1 | 170.7 | -173.2 | 169.7 | 0 | 110.3 | C156 D157 L158 | K154-C156 VanDerWaalsContact C-N 3.29Å; K154-C156 PolarHBondContact O-N 3.13Å; K154-D157 VanDerWaalsContact CB-OD2 3.31Å; K154-D157 WeakPolarHBondContact CB-OD2 3.3Å; K154-D157 PolarHBondContact N-OD2 3.18Å; K154-D157 WeakPolarHBondContact O-CB 3.2Å; K154-D157 PolarHBondContact O-N 2.81Å; K154-D157 VanDerWaalsContact O-N 3.11Å; K154-L158 PolarHBondContact O-N 3.32Å | ||
| 155 | D | 95.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 68 Ų | 68 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -33.6 | 178.3 | -67.6 | -48.9 | 0 | 0 | 0 | 112.6 | R144 K148 D157 L158 D159 | R144-D155 IonicContact CZ-OD1 2.69Å; R144-D155 VanDerWaalsContact CZ-OD1 3.32Å; R144-D155 IonicContact NE-OD1 3.01Å; R144-D155 PolarHBondContact NE-OD1 3.34Å; R144-D155 VanDerWaalsContact NE-OD1 3.13Å; R144-D155 IonicContact NH2-OD1 3.22Å; R144-D155 PolarHBondContact NH2-OD1 2.72Å; K148-D155 WeakPolarHBondContact CD-OD1 3.28Å; K148-D155 WeakPolarHBondContact CE-OD1 3.4Å; K148-D155 IonicContact NZ-OD1 2.86Å; K148-D155 PolarHBondContact NZ-OD1 2.93Å; K148-D155 IonicContact NZ-OD2 2.85Å; K148-D155 PolarHBondContact NZ-OD2 2.76Å; D155-D157 VanDerWaalsContact C-N 3.25Å; D155-D157 PolarHBondContact O-N 2.71Å; D155-L158 PolarHBondContact O-N 3.2Å; D155-D159 WeakPolarHBondContact O-CB 3.45Å; D155-D159 PolarHBondContact O-N 3.02Å |
| 156 | C | 94.9 | Very high | 94.4 | Very high | 49 Ų | 49 | 69.4 Ų | 69.4 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | 173.2 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | K154 L158 Q160 R161 | K154-C156 VanDerWaalsContact C-N 3.29Å; K154-C156 PolarHBondContact O-N 3.13Å; C156-L158 PolarHBondContact O-N 3.42Å; C156-Q160 WeakPolarHBondContact O-CB 3.38Å; C156-Q160 PolarHBondContact O-N 3.25Å; C156-R161 PolarHBondContact O-N 2.74Å |
| 157 | D | 94.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.2 | -23.2 | -178.9 | -53.8 | -42.5 | 0 | 0 | 0 | 111.9 | L153 K154 D155 R161 R192 V196 | L153-D157 HydrophobicContact CB-CB 4.44Å; L153-D157 HydrophobicContact CD2-CB 4.07Å; K154-D157 VanDerWaalsContact CB-OD2 3.31Å; K154-D157 WeakPolarHBondContact CB-OD2 3.3Å; K154-D157 PolarHBondContact N-OD2 3.18Å; K154-D157 WeakPolarHBondContact O-CB 3.2Å; K154-D157 PolarHBondContact O-N 2.81Å; K154-D157 VanDerWaalsContact O-N 3.11Å; D155-D157 VanDerWaalsContact C-N 3.25Å; D155-D157 PolarHBondContact O-N 2.71Å; D157-R161 IonicContact OD1-CZ 3.69Å; D157-R161 IonicContact OD1-NE 2.72Å; D157-R161 PolarHBondContact OD1-NE 2.87Å; D157-R161 IonicContact OD1-NH2 3.5Å; D157-R161 PolarHBondContact OD1-NH2 3.25Å; D157-R192 WeakPolarHBondContact O-CD 3.41Å; D157-R192 PolarHBondContact O-NH1 3.32Å; D157-V196 HydrophobicContact CB-CG2 4.1Å |
| 158 | L | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -92.2 | -45.9 | 177 | -60.3 | 175.9 | 0 | 0 | 0 | 112 | R144 K148 L153 K154 D155 C156 L165 | R144-L158 HydrophobicContact CG-CD1 4.03Å; K148-L158 HydrophobicContact CG-CD1 4.05Å; L153-L158 HydrophobicContact CD1-CD2 3.85Å; K154-L158 PolarHBondContact O-N 3.32Å; D155-L158 PolarHBondContact O-N 3.2Å; C156-L158 PolarHBondContact O-N 3.42Å; L158-L165 HydrophobicContact CD2-CD1 3.87Å |
| 159 | D | 93.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -94.5 | -22.9 | -168 | -65.3 | -31.1 | 0 | 0 | 0 | 113.8 | R144 D155 | R144-D159 IonicContact CZ-OD2 3.71Å; R144-D159 IonicContact NH1-OD2 3.74Å; R144-D159 IonicContact NH2-OD1 3.29Å; R144-D159 IonicContact NH2-OD2 2.79Å; R144-D159 PolarHBondContact NH2-OD2 3.39Å; D155-D159 WeakPolarHBondContact O-CB 3.45Å; D155-D159 PolarHBondContact O-N 3.02Å |
| 160 | Q | 92.9 | Very high | 94.3 | Very high | 148 Ų | 148 | 73.4 Ų | 73.4 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -35.7 | -171.2 | -63.2 | 174.9 | 4 | 0 | 0 | 114.5 | C156 E162 | C156-Q160 WeakPolarHBondContact O-CB 3.38Å; C156-Q160 PolarHBondContact O-N 3.25Å; Q160-E162 PolarHBondContact O-N 3.48Å |
| 161 | R | 92.3 | Very high | 94.3 | Very high | 109 Ų | 109 | 75.8 Ų | 75.8 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -63.9 | 132.5 | -179 | -75.9 | -174.3 | -176.7 | -109.2 | 4.3 | 111.1 | C156 D157 P163 V164 R192 | C156-R161 PolarHBondContact O-N 2.74Å; D157-R161 IonicContact OD1-CZ 3.69Å; D157-R161 IonicContact OD1-NE 2.72Å; D157-R161 PolarHBondContact OD1-NE 2.87Å; D157-R161 IonicContact OD1-NH2 3.5Å; D157-R161 PolarHBondContact OD1-NH2 3.25Å; R161-P163 CarbonylContact O-C 3.57Å; R161-V164 WeakPolarHBondContact O-CA 3.39Å; R161-V164 PolarHBondContact O-N 3.38Å; R161-R192 PolarHBondContact O-NH1 3.11Å |
| 162 | E | 90.3 | Very high | 94.3 | Very high | 178 Ų | 178 | 76.5 Ų | 76.5 | 83% | 0.832 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -76.9 | 136.9 | 175.6 | -64.6 | 176.9 | -174.8 | 0 | 0 | 110.8 | Q160 | Q160-E162 PolarHBondContact O-N 3.48Š|
| 163 | P | 90.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 81.2 Ų | 81.2 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | S | Bend | cis | -70 | 139.9 | -12.6 | 29.2 | -34.3 | 0 | 0 | 0 | 111.7 | R161 L165 R192 | R161-P163 CarbonylContact O-C 3.57Å; P163-L165 PolarHBondContact O-N 3.36Å; P163-R192 PolarHBondContact O-NH2 2.89Å |
| 164 | V | 92.3 | Very high | 94 | Very high | 84 Ų | 84 | 88.2 Ų | 88.2 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 128.1 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | R161 R166 | R161-V164 WeakPolarHBondContact O-CA 3.39Å; R161-V164 PolarHBondContact O-N 3.38Å; V164-R166 PolarHBondContact O-N 2.77Å |
| 165 | L | 93.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 83.8 Ų | 83.8 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 121.4 | -179.1 | -66 | -175.1 | 0 | 0 | 0 | 110.1 | L158 P163 Y184 Q188 V189 R192 | L158-L165 HydrophobicContact CD2-CD1 3.87Å; P163-L165 PolarHBondContact O-N 3.36Å; L165-Y184 HydrophobicContact CB-CD1 3.94Å; L165-Y184 HydrophobicContact CB-CE1 3.97Å; L165-Q188 HydrophobicContact CD2-CB 3.91Å; L165-V189 HydrophobicContact CD1-CG2 4.37Å; L165-R192 HydrophobicContact CD1-CB 4.03Å; L165-R192 HydrophobicContact CD1-CG 4.14Å |
| 166 | R | 94.5 | Very high | 93.8 | Very high | 119 Ų | 119 | 85 Ų | 85 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 154 | 172.8 | -62 | -163.4 | -179.9 | -160.6 | 10.6 | 111.1 | G123 D125 V164 Y184 | G123-R166 WeakPolarHBondContact O-CB 3.47Å; D125-R166 VanDerWaalsContact CG-NH2 3.31Å; D125-R166 IonicContact OD1-CZ 2.76Å; D125-R166 IonicContact OD1-NE 3.51Å; D125-R166 PolarHBondContact OD1-NE 3.01Å; D125-R166 VanDerWaalsContact OD1-NE 3.14Å; D125-R166 IonicContact OD1-NH1 4Å; D125-R166 PolarHBondContact OD1-NH1 3.15Å; D125-R166 IonicContact OD1-NH2 2.81Å; D125-R166 PolarHBondContact OD1-NH2 2.9Å; D125-R166 IonicContact OD2-CZ 3.32Å; D125-R166 IonicContact OD2-NE 2.71Å; D125-R166 PolarHBondContact OD2-NE 2.91Å; D125-R166 IonicContact OD2-NH2 3.13Å; D125-R166 PolarHBondContact OD2-NH2 3.44Å; V164-R166 PolarHBondContact O-N 2.77Å; R166-Y184 WeakPolarHBondContact O-CD1 3.44Å |
| 167 | F | 95.3 | Very high | 93.7 | Very high | 73 Ų | 73 | 91.1 Ų | 91.1 | 32% | 0.32 | 45% | 0.447 | S | S | . | . | trans | -143.2 | 154.4 | 179.5 | 58.1 | -94.2 | 0 | 0 | 0 | 111.1 | L169 K182 L183 Y184 | F167-L169 HydrophobicContact CD2-CD2 4.05Å; F167-L169 HydrophobicContact CD2-CG 4.25Å; F167-L169 HydrophobicContact CE2-CD2 3.8Å; F167-L169 HydrophobicContact CE2-CG 4.02Å; F167-K182 HydrophobicContact CB-CB 4.29Å; F167-K182 HydrophobicContact CD1-CD 4.18Å; F167-K182 HydrophobicContact CD2-CB 3.98Å; F167-K182 HydrophobicContact CD2-CD 3.85Å; F167-K182 HydrophobicContact CD2-CG 3.66Å; F167-K182 HydrophobicContact CE1-CD 4.12Å; F167-K182 HydrophobicContact CE2-CD 3.8Å; F167-K182 HydrophobicContact CE2-CG 3.85Å; F167-K182 HydrophobicContact CG-CB 4.16Å; F167-K182 HydrophobicContact CG-CD 4.06Å; F167-K182 HydrophobicContact CG-CG 4.17Å; F167-K182 HydrophobicContact CZ-CD 3.94Å; F167-K182 HydrophobicContact CZ-CG 4.5Å; F167-L183 CarbonylContact C-O 3.39Å; F167-L183 WeakPolarHBondContact CA-O 3.4Å; F167-L183 VanDerWaalsContact CB-O 3.32Å; F167-L183 WeakPolarHBondContact CB-O 3.5Å; F167-Y184 HydrophobicContact CB-CD1 3.92Å; F167-Y184 HydrophobicContact CB-CD2 4.38Å; F167-Y184 HydrophobicContact CB-CE1 3.71Å; F167-Y184 HydrophobicContact CB-CE2 4.15Å; F167-Y184 HydrophobicContact CB-CG 4.27Å; F167-Y184 AromaticContact CD1-CE1 3.9Å; F167-Y184 HydrophobicContact CD1-CE1 3.9Å; F167-Y184 AromaticContact CD1-CZ 3.87Å; F167-Y184 HydrophobicContact CG-CE1 4.23Å | ||
| 168 | V | 95.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 97 Ų | 97 | 18% | 0.176 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136 | 171.8 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | F124 L183 | F124-V168 HydrophobicContact CE1-CG2 4.35Å; F124-V168 HydrophobicContact CE2-CG2 3.7Å; F124-V168 HydrophobicContact CZ-CB 4.2Å; F124-V168 HydrophobicContact CZ-CG2 3.53Å; V168-L183 PolarHBondContact N-O 2.95Å; V168-L183 PolarHBondContact O-N 3.28Å |
| 169 | L | 95.8 | Very high | 93.6 | Very high | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.9 | 175 | -66.7 | 173.7 | 0 | 0 | 0 | 110.6 | F167 D180 M181 K182 | F167-L169 HydrophobicContact CD2-CD2 4.05Å; F167-L169 HydrophobicContact CD2-CG 4.25Å; F167-L169 HydrophobicContact CE2-CD2 3.8Å; F167-L169 HydrophobicContact CE2-CG 4.02Å; L169-D180 HydrophobicContact CB-CB 4.39Å; L169-D180 HydrophobicContact CD2-CB 4.22Å; L169-M181 WeakPolarHBondContact CA-O 3.31Å; L169-K182 HydrophobicContact CD2-CG 3.73Å |
| 170 | R | 94.8 | Very high | 93.7 | Very high | 159 Ų | 159 | 100.6 Ų | 100.6 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.7 | 172.7 | -71 | -72.2 | -77.7 | -176.7 | -6.3 | 110.4 | D180 M181 L183 | R170-D180 CarbonylContact O-C 3.57Å; R170-D180 WeakPolarHBondContact O-CA 3.35Å; R170-M181 HydrophobicContact CB-CG 3.81Å; R170-M181 HydrophobicContact CB-SD 4.11Å; R170-M181 PolarHBondContact N-O 3.34Å; R170-M181 WeakPolarHBondContact O-CG 3.5Å; R170-M181 PolarHBondContact O-N 3.13Å; R170-L183 HydrophobicContact CB-CD1 4.13Å; R170-L183 HydrophobicContact CG-CD1 3.64Å; R170-L183 HydrophobicContact CG-CG 4.49Å |
| 171 | K | 96.1 | Very high | 93.8 | Very high | 130 Ų | 130 | 95.9 Ų | 95.9 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | trans | -66.8 | 145.1 | 171.7 | -65.1 | -70.3 | 165.2 | -156.6 | 0 | 109.6 | D180 | K171-D180 VanDerWaalsContact CD-OD1 3.24Å; K171-D180 WeakPolarHBondContact CD-OD1 3.45Å; K171-D180 WeakPolarHBondContact CE-OD1 3.34Å; K171-D180 IonicContact NZ-OD1 3.92Å; K171-D180 PolarHBondContact NZ-OD1 3.08Å; K171-D180 IonicContact NZ-OD2 3.23Å; K171-D180 PolarHBondContact NZ-OD2 3.25Å | ||
| 172 | N | 94.3 | Very high | 94 | Very high | 37 Ų | 37 | 93.3 Ų | 93.3 | 20% | 0.198 | 47% | 0.473 | C | S | . | . | trans | -70 | 124.6 | 178.1 | -171.3 | -41.4 | 0 | 0 | 0 | 110 | H174 N175 W178 | N172-H174 PolarHBondContact O-N 2.93Å; N172-H174 WeakPolarHBondContact OD1-CB 3.41Å; N172-H174 PolarHBondContact OD1-N 3.43Å; N172-N175 CarbonylContact O-C 3.48Å; N172-N175 PolarHBondContact O-N 2.85Å; N172-W178 HydrophobicContact CB-CB 4.34Å | ||
| 173 | P | 94.4 | Very high | 94.3 | Very high | 113 Ų | 113 | 86.1 Ų | 86.1 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -68.7 | -23.8 | -175.7 | 28.2 | -34.9 | 0 | 0 | 0 | 112.9 | M181 | P173-M181 HydrophobicContact CG-CE 4.04Š|
| 174 | H | 91.4 | Very high | 94.6 | Very high | 152 Ų | 152 | 81.5 Ų | 81.5 | 70% | 0.704 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -80.2 | -39.6 | 179 | -170.5 | 86.8 | 0 | 0 | 0 | 112 | N172 W178 | N172-H174 PolarHBondContact O-N 2.93Å; N172-H174 WeakPolarHBondContact OD1-CB 3.41Å; N172-H174 PolarHBondContact OD1-N 3.43Å; H174-W178 HydrophobicContact CB-CZ3 3.88Å; H174-W178 AromaticContact CD2-CH2 3.2Å; H174-W178 WeakPolarHBondContact CD2-CH2 3.29Å; H174-W178 AromaticContact CD2-CZ3 3.34Å; H174-W178 WeakPolarHBondContact CD2-CZ3 3.34Å; H174-W178 AromaticContact CG-CZ3 3.88Å; H174-W178 AromaticContact NE2-CH2 3.9Å |
| 175 | N | 93.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 77.5 Ų | 77.5 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | trans | -149.5 | 111.2 | 175 | -175.5 | -7.7 | 0 | 0 | 0 | 110.6 | N172 H177 W178 | N172-N175 CarbonylContact O-C 3.48Å; N172-N175 PolarHBondContact O-N 2.85Å; N175-H177 PolarHBondContact O-N 3.09Å; N175-H177 VanDerWaalsContact O-N 3.16Å; N175-H177 WeakPolarHBondContact OD1-CB 3.26Å; N175-H177 PolarHBondContact OD1-N 3.31Å; N175-W178 HydrophobicContact CB-CD2 3.47Å; N175-W178 VanDerWaalsContact CB-CD2 3.47Å; N175-W178 HydrophobicContact CB-CE3 3.68Å; N175-W178 HydrophobicContact CB-CG 3.86Å; N175-W178 HydrophobicContact CB-CH2 4.28Å; N175-W178 HydrophobicContact CB-CZ2 4.06Å; N175-W178 HydrophobicContact CB-CZ3 4.1Å; N175-W178 PolarHBondContact ND2-NE1 2.78Å; N175-W178 VanDerWaalsContact ND2-NE1 3.19Å; N175-W178 WeakPolarHBondContact O-CB 3.5Å; N175-W178 PolarHBondContact O-N 3Å | ||
| 176 | P | 93.7 | Very high | 94.8 | Very high | 88 Ų | 88 | 80.1 Ų | 80.1 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.4 | 179.7 | -23.9 | 34 | 0 | 0 | 0 | 115.1 | W178 | P176-W178 VanDerWaalsContact C-N 3.33Š|
| 177 | H | 93.6 | Very high | 94.8 | Very high | 179 Ų | 179 | 76.9 Ų | 76.9 | 83% | 0.829 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.2 | 176.1 | -65.8 | -63.9 | 0 | 0 | 0 | 113.3 | N175 | N175-H177 PolarHBondContact O-N 3.09Å; N175-H177 VanDerWaalsContact O-N 3.16Å; N175-H177 WeakPolarHBondContact OD1-CB 3.26Å; N175-H177 PolarHBondContact OD1-N 3.31Å |
| 178 | W | 92.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 75 Ų | 75 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -70.2 | 160.6 | 170.6 | -65.9 | -17 | 0 | 0 | 0 | 110.6 | N172 H174 N175 P176 | N172-W178 HydrophobicContact CB-CB 4.34Å; H174-W178 HydrophobicContact CB-CZ3 3.88Å; H174-W178 AromaticContact CD2-CH2 3.2Å; H174-W178 WeakPolarHBondContact CD2-CH2 3.29Å; H174-W178 AromaticContact CD2-CZ3 3.34Å; H174-W178 WeakPolarHBondContact CD2-CZ3 3.34Å; H174-W178 AromaticContact CG-CZ3 3.88Å; H174-W178 AromaticContact NE2-CH2 3.9Å; N175-W178 HydrophobicContact CB-CD2 3.47Å; N175-W178 VanDerWaalsContact CB-CD2 3.47Å; N175-W178 HydrophobicContact CB-CE3 3.68Å; N175-W178 HydrophobicContact CB-CG 3.86Å; N175-W178 HydrophobicContact CB-CH2 4.28Å; N175-W178 HydrophobicContact CB-CZ2 4.06Å; N175-W178 HydrophobicContact CB-CZ3 4.1Å; N175-W178 PolarHBondContact ND2-NE1 2.78Å; N175-W178 VanDerWaalsContact ND2-NE1 3.19Å; N175-W178 WeakPolarHBondContact O-CB 3.5Å; N175-W178 PolarHBondContact O-N 3Å; P176-W178 VanDerWaalsContact C-N 3.33Å |
| 179 | G | 94.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 151.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M181 | G179-M181 PolarHBondContact O-N 3.18Š|
| 180 | D | 96.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 72.3 Ų | 72.3 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.7 | -179.8 | -65.6 | -16.8 | 0 | 0 | 0 | 110.8 | L169 R170 K171 | L169-D180 HydrophobicContact CB-CB 4.39Å; L169-D180 HydrophobicContact CD2-CB 4.22Å; R170-D180 CarbonylContact O-C 3.57Å; R170-D180 WeakPolarHBondContact O-CA 3.35Å; K171-D180 VanDerWaalsContact CD-OD1 3.24Å; K171-D180 WeakPolarHBondContact CD-OD1 3.45Å; K171-D180 WeakPolarHBondContact CE-OD1 3.34Å; K171-D180 IonicContact NZ-OD1 3.92Å; K171-D180 PolarHBondContact NZ-OD1 3.08Å; K171-D180 IonicContact NZ-OD2 3.23Å; K171-D180 PolarHBondContact NZ-OD2 3.25Å |
| 181 | M | 94.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 70.5 Ų | 70.5 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.2 | 173.6 | 53.3 | 166.3 | 48.6 | 0 | 0 | 110.2 | L169 R170 P173 G179 L183 | L169-M181 WeakPolarHBondContact CA-O 3.31Å; R170-M181 HydrophobicContact CB-CG 3.81Å; R170-M181 HydrophobicContact CB-SD 4.11Å; R170-M181 PolarHBondContact N-O 3.34Å; R170-M181 WeakPolarHBondContact O-CG 3.5Å; R170-M181 PolarHBondContact O-N 3.13Å; P173-M181 HydrophobicContact CG-CE 4.04Å; G179-M181 PolarHBondContact O-N 3.18Å; M181-L183 HydrophobicContact SD-CD2 3.97Å; M181-L183 HydrophobicContact SD-CG 4.37Å |
| 182 | K | 96.2 | Very high | 94.7 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.1 | 168.7 | -64.1 | -175.3 | 175.8 | -165.4 | 0 | 109.3 | R144 F167 L169 Y184 | R144-K182 HydrophobicContact CB-CB 4.28Å; R144-K182 PolarHBondContact N-O 2.86Å; F167-K182 HydrophobicContact CB-CB 4.29Å; F167-K182 HydrophobicContact CD1-CD 4.18Å; F167-K182 HydrophobicContact CD2-CB 3.98Å; F167-K182 HydrophobicContact CD2-CD 3.85Å; F167-K182 HydrophobicContact CD2-CG 3.66Å; F167-K182 HydrophobicContact CE1-CD 4.12Å; F167-K182 HydrophobicContact CE2-CD 3.8Å; F167-K182 HydrophobicContact CE2-CG 3.85Å; F167-K182 HydrophobicContact CG-CB 4.16Å; F167-K182 HydrophobicContact CG-CD 4.06Å; F167-K182 HydrophobicContact CG-CG 4.17Å; F167-K182 HydrophobicContact CZ-CD 3.94Å; F167-K182 HydrophobicContact CZ-CG 4.5Å; L169-K182 HydrophobicContact CD2-CG 3.73Å; K182-Y184 HydrophobicContact CB-CE2 3.89Å |
| 183 | L | 96.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.4 | 175.5 | -63.2 | -179 | 0 | 0 | 0 | 110 | L141 I142 F167 V168 R170 M181 | L141-L183 HydrophobicContact CB-CB 4.31Å; L141-L183 HydrophobicContact CD1-CB 4.48Å; L141-L183 HydrophobicContact CD1-CD1 4.25Å; I142-L183 WeakPolarHBondContact O-CA 3.25Å; F167-L183 CarbonylContact C-O 3.39Å; F167-L183 WeakPolarHBondContact CA-O 3.4Å; F167-L183 VanDerWaalsContact CB-O 3.32Å; F167-L183 WeakPolarHBondContact CB-O 3.5Å; V168-L183 PolarHBondContact N-O 2.95Å; V168-L183 PolarHBondContact O-N 3.28Å; R170-L183 HydrophobicContact CB-CD1 4.13Å; R170-L183 HydrophobicContact CG-CD1 3.64Å; R170-L183 HydrophobicContact CG-CG 4.49Å; M181-L183 HydrophobicContact SD-CD2 3.97Å; M181-L183 HydrophobicContact SD-CG 4.37Å |
| 184 | Y | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153 | 178 | -65.9 | -92.1 | 0 | 0 | 0 | 109.9 | L141 I142 R144 L165 R166 F167 K182 K186 V189 | L141-Y184 CarbonylContact C-O 3.12Å; L141-Y184 WeakPolarHBondContact CA-O 3.4Å; I142-Y184 PolarHBondContact N-O 3.05Å; I142-Y184 PolarHBondContact O-N 3.12Å; R144-Y184 HydrophobicContact CB-CD2 4.35Å; R144-Y184 HydrophobicContact CB-CE2 3.82Å; R144-Y184 HydrophobicContact CG-CE2 3.98Å; L165-Y184 HydrophobicContact CB-CD1 3.94Å; L165-Y184 HydrophobicContact CB-CE1 3.97Å; R166-Y184 WeakPolarHBondContact O-CD1 3.44Å; F167-Y184 HydrophobicContact CB-CD1 3.92Å; F167-Y184 HydrophobicContact CB-CD2 4.38Å; F167-Y184 HydrophobicContact CB-CE1 3.71Å; F167-Y184 HydrophobicContact CB-CE2 4.15Å; F167-Y184 HydrophobicContact CB-CG 4.27Å; F167-Y184 AromaticContact CD1-CE1 3.9Å; F167-Y184 HydrophobicContact CD1-CE1 3.9Å; F167-Y184 AromaticContact CD1-CZ 3.87Å; F167-Y184 HydrophobicContact CG-CE1 4.23Å; K182-Y184 HydrophobicContact CB-CE2 3.89Å; Y184-K186 PolarHBondContact O-N 3.19Å; Y184-V189 HydrophobicContact CG-CG2 4.44Å |
| 185 | L | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.4 | 173.6 | -168.5 | 66.8 | 0 | 0 | 0 | 109.8 | L120 F124 L126 H139 L141 L187 Q188 V189 | L120-L185 HydrophobicContact CD2-CD1 4.27Å; F124-L185 HydrophobicContact CB-CD2 4.44Å; F124-L185 HydrophobicContact CD1-CB 3.86Å; F124-L185 HydrophobicContact CE1-CB 4.18Å; F124-L185 HydrophobicContact CG-CB 4.17Å; L126-L185 HydrophobicContact CD1-CD2 4.39Å; L126-L185 HydrophobicContact CD2-CD2 4.07Å; H139-L185 HydrophobicContact CB-CD1 3.99Å; L141-L185 HydrophobicContact CD2-CD1 3.92Å; L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 HydrophobicContact CG-CB 4.41Å; L185-L187 PolarHBondContact O-N 3.28Å; L185-Q188 HydrophobicContact CB-CB 4.35Å; L185-Q188 HydrophobicContact CB-CG 4.24Å; L185-Q188 HydrophobicContact CD2-CG 4.16Å; L185-Q188 PolarHBondContact O-N 3.03Å; L185-V189 PolarHBondContact O-N 3.17Å; L185-V189 VanDerWaalsContact O-N 3.15Å |
| 186 | K | 95.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 59 Ų | 59 | 30% | 0.296 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.4 | -45.4 | -177.2 | -179.9 | -178.1 | 165 | -171.1 | 0 | 112 | K140 I142 Y151 Y184 Q188 V189 E190 | K140-K186 HydrophobicContact CB-CB 4.44Å; K140-K186 HydrophobicContact CB-CD 4.48Å; K140-K186 WeakPolarHBondContact O-CB 3.27Å; K140-K186 PolarHBondContact O-N 3.5Å; I142-K186 HydrophobicContact CD1-CB 4.38Å; I142-K186 HydrophobicContact CD1-CG 4.45Å; I142-K186 HydrophobicContact CG1-CB 4.42Å; I142-K186 HydrophobicContact CG2-CB 4.21Å; I142-K186 HydrophobicContact CG2-CG 4.47Å; Y151-K186 WeakPolarHBondContact OH-CE 3.32Å; Y184-K186 PolarHBondContact O-N 3.19Å; K186-Q188 VanDerWaalsContact C-N 3.31Å; K186-Q188 PolarHBondContact O-N 3.47Å; K186-V189 PolarHBondContact O-N 3.14Å; K186-V189 VanDerWaalsContact O-N 3.12Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 IonicContact NZ-OE1 3.83Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 3.3Å |
| 187 | L | 94.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -40.2 | 179.3 | -174.9 | 155 | 0 | 0 | 0 | 113 | L185 K191 | L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 HydrophobicContact CG-CB 4.41Å; L185-L187 PolarHBondContact O-N 3.28Å; L187-K191 HydrophobicContact CD2-CD 3.93Å; L187-K191 VanDerWaalsContact CD2-CE 3.47Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 3.17Å; L187-K191 VanDerWaalsContact O-N 3.16Å |
| 188 | Q | 95.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.8 | -37.3 | 177.8 | -73.8 | 176.1 | -20.9 | 0 | 0 | 112 | F124 L165 L185 K186 K191 R192 | F124-Q188 PolarHBondContact O-NE2 3.01Å; L165-Q188 HydrophobicContact CD2-CB 3.91Å; L185-Q188 HydrophobicContact CB-CB 4.35Å; L185-Q188 HydrophobicContact CB-CG 4.24Å; L185-Q188 HydrophobicContact CD2-CG 4.16Å; L185-Q188 PolarHBondContact O-N 3.03Å; K186-Q188 VanDerWaalsContact C-N 3.31Å; K186-Q188 PolarHBondContact O-N 3.47Å; Q188-K191 PolarHBondContact O-N 3.22Å; Q188-R192 WeakPolarHBondContact O-CB 3.22Å; Q188-R192 PolarHBondContact O-N 3.37Å |
| 189 | V | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | I142 A147 Y151 L153 L165 Y184 L185 K186 R192 S193 | I142-V189 HydrophobicContact CD1-CB 4Å; I142-V189 HydrophobicContact CD1-CG1 4.02Å; I142-V189 HydrophobicContact CD1-CG2 4.03Å; I142-V189 HydrophobicContact CG1-CG2 4.42Å; A147-V189 HydrophobicContact CB-CG1 3.81Å; A147-V189 HydrophobicContact CB-CG2 4.25Å; Y151-V189 HydrophobicContact CD2-CG1 3.43Å; Y151-V189 VanDerWaalsContact CD2-CG1 3.43Å; Y151-V189 HydrophobicContact CE2-CG1 3.9Å; Y151-V189 HydrophobicContact CG-CG1 3.92Å; L153-V189 HydrophobicContact CD1-CG1 3.69Å; L165-V189 HydrophobicContact CD1-CG2 4.37Å; Y184-V189 HydrophobicContact CG-CG2 4.44Å; L185-V189 PolarHBondContact O-N 3.17Å; L185-V189 VanDerWaalsContact O-N 3.15Å; K186-V189 PolarHBondContact O-N 3.14Å; K186-V189 VanDerWaalsContact O-N 3.12Å; V189-R192 PolarHBondContact O-N 2.98Å; V189-S193 WeakPolarHBondContact O-CB 3.41Å; V189-S193 PolarHBondContact O-N 2.8Å |
| 190 | E | 94.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 174.1 | -79 | 174.7 | 169.5 | 0 | 0 | 111.6 | Y151 K186 R192 S193 L194 | Y151-E190 HydrophobicContact CD1-CG 4.41Å; Y151-E190 HydrophobicContact CE1-CB 4.44Å; Y151-E190 HydrophobicContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CZ-CG 3.47Å; Y151-E190 WeakPolarHBondContact OH-CG 3.32Å; Y151-E190 PolarHBondContact OH-OE1 3.48Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 IonicContact NZ-OE1 3.83Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 3.3Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 2.79Å; E190-S193 WeakPolarHBondContact O-CB 3.25Å; E190-S193 PolarHBondContact O-N 3.36Å; E190-S193 PolarHBondContact O-OG 2.73Å; E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 2.94Å |
| 191 | K | 94.8 | Very high | 95.1 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 53% | 0.53 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.1 | -46.9 | 174.4 | -71.8 | 177.8 | 178 | -179.1 | 0 | 111.7 | L187 Q188 S193 L194 E195 | L187-K191 HydrophobicContact CD2-CD 3.93Å; L187-K191 VanDerWaalsContact CD2-CE 3.47Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 3.17Å; L187-K191 VanDerWaalsContact O-N 3.16Å; Q188-K191 PolarHBondContact O-N 3.22Å; K191-S193 VanDerWaalsContact C-N 3.28Å; K191-S193 PolarHBondContact O-N 3.04Å; K191-L194 PolarHBondContact O-N 3.2Å; K191-E195 WeakPolarHBondContact O-CG 3.47Å; K191-E195 PolarHBondContact O-N 3.21Å |
| 192 | R | 95.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -35.7 | 175.9 | -179.8 | 53.7 | 51.6 | 81 | 1.9 | 112.4 | L153 D157 R161 P163 L165 Q188 V189 E190 E195 V196 | L153-R192 HydrophobicContact CD1-CG 4.25Å; L153-R192 HydrophobicContact CD2-CG 4.41Å; D157-R192 WeakPolarHBondContact O-CD 3.41Å; D157-R192 PolarHBondContact O-NH1 3.32Å; R161-R192 PolarHBondContact O-NH1 3.11Å; P163-R192 PolarHBondContact O-NH2 2.89Å; L165-R192 HydrophobicContact CD1-CB 4.03Å; L165-R192 HydrophobicContact CD1-CG 4.14Å; Q188-R192 WeakPolarHBondContact O-CB 3.22Å; Q188-R192 PolarHBondContact O-N 3.37Å; V189-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 2.79Å; R192-E195 WeakPolarHBondContact CD-OE2 3.4Å; R192-E195 IonicContact CZ-OE2 2.97Å; R192-E195 IonicContact NE-OE2 3.14Å; R192-E195 PolarHBondContact NE-OE2 3.49Å; R192-E195 IonicContact NH2-OE2 2.68Å; R192-E195 PolarHBondContact O-N 3.1Å; R192-V196 VanDerWaalsContact O-CG2 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.42Å; R192-V196 PolarHBondContact O-N 3.37Å; R192-V196 VanDerWaalsContact O-N 3.1Å |
| 193 | S | 95.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -40.5 | 177.1 | 81.4 | 0 | 0 | 0 | 0 | 111.8 | V189 E190 K191 E195 V196 W197 | V189-S193 WeakPolarHBondContact O-CB 3.41Å; V189-S193 PolarHBondContact O-N 2.8Å; E190-S193 WeakPolarHBondContact O-CB 3.25Å; E190-S193 PolarHBondContact O-N 3.36Å; E190-S193 PolarHBondContact O-OG 2.73Å; K191-S193 VanDerWaalsContact C-N 3.28Å; K191-S193 PolarHBondContact O-N 3.04Å; S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 PolarHBondContact O-N 3Å; S193-V196 PolarHBondContact O-N 2.77Å; S193-W197 WeakPolarHBondContact O-CB 3.44Å; S193-W197 PolarHBondContact O-N 3.22Å |
| 194 | L | 95.6 | Very high | 95 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 41% | 0.414 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.4 | -66.2 | 171.8 | 0 | 0 | 0 | 111.2 | E190 K191 V196 G198 E200 | E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 2.94Å; K191-L194 PolarHBondContact O-N 3.2Å; L194-V196 VanDerWaalsContact C-N 3.31Å; L194-V196 PolarHBondContact O-N 2.88Å; L194-G198 CarbonylContact O-C 3.55Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.41Å; L194-E200 HydrophobicContact CD2-CB 4.28Å |
| 195 | E | 94.5 | Very high | 95 | Very high | 107 Ų | 107 | 63.5 Ų | 63.5 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -34.2 | 174.1 | -70 | 165.8 | -172.2 | 0 | 0 | 113.1 | K191 R192 S193 | K191-E195 WeakPolarHBondContact O-CG 3.47Å; K191-E195 PolarHBondContact O-N 3.21Å; R192-E195 WeakPolarHBondContact CD-OE2 3.4Å; R192-E195 IonicContact CZ-OE2 2.97Å; R192-E195 IonicContact NE-OE2 3.14Å; R192-E195 PolarHBondContact NE-OE2 3.49Å; R192-E195 IonicContact NH2-OE2 2.68Å; R192-E195 PolarHBondContact O-N 3.1Å; S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 PolarHBondContact O-N 3Å |
| 196 | V | 95.4 | Very high | 95 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -82.8 | -41.8 | -177.5 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | L153 D157 R192 S193 L194 | L153-V196 HydrophobicContact CD2-CB 4.12Å; L153-V196 HydrophobicContact CD2-CG1 4.37Å; L153-V196 HydrophobicContact CD2-CG2 3.91Å; D157-V196 HydrophobicContact CB-CG2 4.1Å; R192-V196 VanDerWaalsContact O-CG2 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.42Å; R192-V196 PolarHBondContact O-N 3.37Å; R192-V196 VanDerWaalsContact O-N 3.1Å; S193-V196 PolarHBondContact O-N 2.77Å; L194-V196 VanDerWaalsContact C-N 3.31Å; L194-V196 PolarHBondContact O-N 2.88Å |
| 197 | W | 95.3 | Very high | 94.9 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -99.1 | -13.9 | -174.3 | -67 | 100.5 | 0 | 0 | 0 | 113.6 | Y151 L152 S193 S199 L203 A206 | Y151-W197 PolarHBondContact O-NE1 3.43Å; L152-W197 HydrophobicContact CB-CZ2 3.65Å; L152-W197 HydrophobicContact CD1-CZ2 4.17Å; S193-W197 WeakPolarHBondContact O-CB 3.44Å; S193-W197 PolarHBondContact O-N 3.22Å; W197-S199 PolarHBondContact O-N 2.98Å; W197-S199 VanDerWaalsContact O-N 3.08Å; W197-L203 HydrophobicContact CB-CB 4.44Å; W197-L203 VanDerWaalsContact CD1-CD1 3.4Å; W197-L203 HydrophobicContact CD2-CD1 4.23Å; W197-L203 HydrophobicContact CG-CB 4.37Å; W197-L203 HydrophobicContact CG-CD1 3.92Å; W197-A206 HydrophobicContact CE3-CB 4.29Å; W197-A206 HydrophobicContact CH2-CB 3.83Å; W197-A206 HydrophobicContact CZ3-CB 3.66Å |
| 198 | G | 93.8 | Very high | 95 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 82.3 | -52.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L194 | L194-G198 CarbonylContact O-C 3.55Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.41Å |
| 199 | S | 94.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 68.7 Ų | 68.7 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -131.5 | 157.7 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | W197 E201 A202 L203 | W197-S199 PolarHBondContact O-N 2.98Å; W197-S199 VanDerWaalsContact O-N 3.08Å; S199-E201 VanDerWaalsContact C-N 3.31Å; S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 WeakPolarHBondContact OG-CB 3.27Å; S199-A202 PolarHBondContact OG-N 3.39Å; S199-L203 PolarHBondContact O-N 3.03Å |
| 200 | E | 93.1 | Very high | 95 | Very high | 130 Ų | 130 | 74.9 Ų | 74.9 | 61% | 0.607 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.2 | -36.4 | 173.1 | -172.5 | 164.3 | -154.7 | 0 | 0 | 111.2 | L194 A202 L203 E204 | L194-E200 HydrophobicContact CD2-CB 4.28Å; E200-A202 VanDerWaalsContact C-N 3.33Å; E200-A202 PolarHBondContact O-N 2.95Å; E200-L203 WeakPolarHBondContact O-CB 3.44Å; E200-L203 PolarHBondContact O-N 2.99Å; E200-L203 VanDerWaalsContact O-N 3.1Å; E200-E204 PolarHBondContact O-N 2.92Å |
| 201 | E | 95.1 | Very high | 95.1 | Very high | 153 Ų | 153 | 77.6 Ų | 77.6 | 72% | 0.715 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.1 | -42.9 | 175.3 | -61.8 | 177.8 | 168.9 | 0 | 0 | 112.1 | S199 L203 E204 E205 | S199-E201 VanDerWaalsContact C-N 3.31Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.94Å; E201-E204 PolarHBondContact O-N 2.89Å; E201-E205 PolarHBondContact O-N 3.28Å |
| 202 | A | 95.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 77.8 Ų | 77.8 | 25% | 0.248 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S199 E200 A206 | S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 WeakPolarHBondContact OG-CB 3.27Å; S199-A202 PolarHBondContact OG-N 3.39Å; E200-A202 VanDerWaalsContact C-N 3.33Å; E200-A202 PolarHBondContact O-N 2.95Å; A202-A206 VanDerWaalsContact O-CB 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.45Å; A202-A206 VanDerWaalsContact O-N 3.11Å |
| 203 | L | 94.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 82.1 Ų | 82.1 | 4% | 0.037 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 173.9 | -178.6 | 81.3 | 0 | 0 | 0 | 110.8 | Y151 L152 W197 S199 E200 E201 A206 K207 | Y151-L203 HydrophobicContact CD1-CD2 4.14Å; Y151-L203 VanDerWaalsContact O-CD1 3.27Å; Y151-L203 WeakPolarHBondContact O-CD1 3.35Å; L152-L203 HydrophobicContact CB-CD1 4.3Å; L152-L203 HydrophobicContact CD1-CD1 4.43Å; L152-L203 HydrophobicContact CG-CD1 4.26Å; W197-L203 HydrophobicContact CB-CB 4.44Å; W197-L203 VanDerWaalsContact CD1-CD1 3.4Å; W197-L203 HydrophobicContact CD2-CD1 4.23Å; W197-L203 HydrophobicContact CG-CB 4.37Å; W197-L203 HydrophobicContact CG-CD1 3.92Å; S199-L203 PolarHBondContact O-N 3.03Å; E200-L203 WeakPolarHBondContact O-CB 3.44Å; E200-L203 PolarHBondContact O-N 2.99Å; E200-L203 VanDerWaalsContact O-N 3.1Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.94Å; L203-A206 PolarHBondContact O-N 3.48Å; L203-K207 WeakPolarHBondContact O-CG 3.44Å; L203-K207 PolarHBondContact O-N 3.41Å |
| 204 | E | 94.8 | Very high | 95.3 | Very high | 103 Ų | 103 | 89.9 Ų | 89.9 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 178.6 | -71.1 | -175.2 | 163.4 | 0 | 0 | 111.9 | E200 E201 A206 K207 E208 | E200-E204 PolarHBondContact O-N 2.92Å; E201-E204 PolarHBondContact O-N 2.89Å; E204-A206 VanDerWaalsContact C-N 3.26Å; E204-A206 PolarHBondContact O-N 3.39Å; E204-K207 WeakPolarHBondContact O-CA 3.43Å; E204-K207 WeakPolarHBondContact O-CB 3.13Å; E204-K207 PolarHBondContact O-N 3.46Å; E204-E208 PolarHBondContact O-N 3.2Å |
| 205 | E | 95.6 | Very high | 95.4 | Very high | 139 Ų | 139 | 91.5 Ų | 91.5 | 65% | 0.65 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -56.7 | -42.2 | 174.7 | -173.3 | -176.3 | -180 | 0 | 0 | 111.2 | E201 K207 E208 A209 | E201-E205 PolarHBondContact O-N 3.28Å; E205-K207 VanDerWaalsContact C-N 3.3Å; E205-K207 PolarHBondContact O-N 3.08Å; E205-E208 PolarHBondContact O-N 3.1Å; E205-A209 WeakPolarHBondContact O-CB 3.35Å; E205-A209 PolarHBondContact O-N 3.37Å |
| 206 | A | 95.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 89.6 Ų | 89.6 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.3 | -29.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L152 W197 A202 L203 E204 R210 | L152-A206 HydrophobicContact CD1-CB 3.81Å; W197-A206 HydrophobicContact CE3-CB 4.29Å; W197-A206 HydrophobicContact CH2-CB 3.83Å; W197-A206 HydrophobicContact CZ3-CB 3.66Å; A202-A206 VanDerWaalsContact O-CB 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.45Å; A202-A206 VanDerWaalsContact O-N 3.11Å; L203-A206 PolarHBondContact O-N 3.48Å; E204-A206 VanDerWaalsContact C-N 3.26Å; E204-A206 PolarHBondContact O-N 3.39Å; A206-R210 WeakPolarHBondContact O-CG 3.27Å; A206-R210 PolarHBondContact O-N 3.16Å |
| 207 | K | 95.2 | Very high | 95.6 | Very high | 74 Ų | 74 | 92.6 Ų | 92.6 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.4 | -48.9 | 173.7 | -75.9 | 170.1 | 179.9 | 172.3 | 0 | 110.9 | L150 L152 L203 E204 E205 A209 R210 E211 | L150-K207 WeakPolarHBondContact O-CE 3.24Å; L150-K207 PolarHBondContact O-NZ 3.41Å; L152-K207 HydrophobicContact CD1-CG 3.82Å; L152-K207 HydrophobicContact CD2-CG 4.28Å; L152-K207 HydrophobicContact CG-CG 4.13Å; L203-K207 WeakPolarHBondContact O-CG 3.44Å; L203-K207 PolarHBondContact O-N 3.41Å; E204-K207 WeakPolarHBondContact O-CA 3.43Å; E204-K207 WeakPolarHBondContact O-CB 3.13Å; E204-K207 PolarHBondContact O-N 3.46Å; E205-K207 VanDerWaalsContact C-N 3.3Å; E205-K207 PolarHBondContact O-N 3.08Å; K207-A209 PolarHBondContact O-N 2.93Å; K207-R210 WeakPolarHBondContact O-CB 3.34Å; K207-R210 PolarHBondContact O-N 3.01Å; K207-R210 VanDerWaalsContact O-N 3.08Å; K207-E211 PolarHBondContact O-N 3.44Å |
| 208 | E | 96 | Very high | 95.7 | Very high | 125 Ų | 125 | 94.7 Ų | 94.7 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.8 | -48.8 | 178.6 | -68.8 | -176.6 | 168.4 | 0 | 0 | 110.4 | E204 E205 R210 E211 E212 | E204-E208 PolarHBondContact O-N 3.2Å; E205-E208 PolarHBondContact O-N 3.1Å; E208-R210 PolarHBondContact O-N 3.29Å; E208-E211 PolarHBondContact O-N 2.93Å; E208-E212 WeakPolarHBondContact O-CG 3.33Å; E208-E212 PolarHBondContact O-N 3.11Å |
| 209 | A | 96.3 | Very high | 95.9 | Very high | 40 Ų | 40 | 96.6 Ų | 96.6 | 33% | 0.331 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.2 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E205 K207 N213 | E205-A209 WeakPolarHBondContact O-CB 3.35Å; E205-A209 PolarHBondContact O-N 3.37Å; K207-A209 PolarHBondContact O-N 2.93Å; A209-N213 VanDerWaalsContact O-CB 3.27Å; A209-N213 WeakPolarHBondContact O-CB 3.41Å; A209-N213 VanDerWaalsContact O-CG 3.26Å; A209-N213 PolarHBondContact O-N 3.09Å; A209-N213 VanDerWaalsContact O-N 3.13Å; A209-N213 PolarHBondContact O-ND2 2.88Å |
| 210 | R | 95.1 | Very high | 96 | Very high | 130 Ų | 130 | 101.1 Ų | 101.1 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.8 | -37.2 | 174.8 | -81.1 | -175.9 | -173.7 | -172.5 | 10.2 | 112.3 | L152 A206 K207 E208 R214 | L152-R210 VanDerWaalsContact CD2-NH1 3.26Å; A206-R210 WeakPolarHBondContact O-CG 3.27Å; A206-R210 PolarHBondContact O-N 3.16Å; K207-R210 WeakPolarHBondContact O-CB 3.34Å; K207-R210 PolarHBondContact O-N 3.01Å; K207-R210 VanDerWaalsContact O-N 3.08Å; E208-R210 PolarHBondContact O-N 3.29Å; R210-R214 WeakPolarHBondContact O-CB 3.46Å; R210-R214 PolarHBondContact O-N 2.69Å |
| 211 | E | 95.1 | Very high | 96.3 | Very high | 126 Ų | 126 | 102.9 Ų | 102.9 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67 | -49.9 | 177.6 | -176.4 | 152.3 | -143.8 | 0 | 0 | 111.1 | K207 E208 N213 R214 E215 | K207-E211 PolarHBondContact O-N 3.44Å; E208-E211 PolarHBondContact O-N 2.93Å; E211-N213 VanDerWaalsContact C-N 3.33Å; E211-N213 PolarHBondContact O-N 2.98Å; E211-R214 CarbonylContact O-C 3.32Å; E211-R214 WeakPolarHBondContact O-CA 3.39Å; E211-R214 VanDerWaalsContact O-CB 3.25Å; E211-R214 WeakPolarHBondContact O-CB 3.34Å; E211-R214 PolarHBondContact O-N 2.94Å; E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.68Å |
| 212 | E | 97.2 | Very high | 96.4 | Very high | 126 Ų | 126 | 101.4 Ų | 101.4 | 59% | 0.589 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -55.4 | -47.9 | 174.7 | -69.1 | -177.1 | 167.9 | 0 | 0 | 111.5 | E208 R214 E215 V216 | E208-E212 WeakPolarHBondContact O-CG 3.33Å; E208-E212 PolarHBondContact O-N 3.11Å; E212-R214 PolarHBondContact O-N 2.95Å; E212-E215 PolarHBondContact O-N 3.14Å; E212-E215 VanDerWaalsContact O-N 3.15Å; E212-V216 VanDerWaalsContact O-CG2 3.32Å; E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 2.76Å |
| 213 | N | 96.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 176.4 | -83.3 | -50.1 | 0 | 0 | 0 | 112.2 | A209 E211 Q217 | A209-N213 VanDerWaalsContact O-CB 3.27Å; A209-N213 WeakPolarHBondContact O-CB 3.41Å; A209-N213 VanDerWaalsContact O-CG 3.26Å; A209-N213 PolarHBondContact O-N 3.09Å; A209-N213 VanDerWaalsContact O-N 3.13Å; A209-N213 PolarHBondContact O-ND2 2.88Å; E211-N213 VanDerWaalsContact C-N 3.33Å; E211-N213 PolarHBondContact O-N 2.98Å; N213-Q217 WeakPolarHBondContact O-CB 3.07Å; N213-Q217 WeakPolarHBondContact O-CG 3.48Å; N213-Q217 PolarHBondContact O-N 3.22Å |
| 214 | R | 96.6 | Very high | 96.6 | Very high | 168 Ų | 168 | 109.9 Ų | 109.9 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.7 | -40.4 | 177.1 | -161.2 | 178 | -155.8 | -169.9 | 6.1 | 111.2 | R210 E211 E212 Q217 K218 | R210-R214 WeakPolarHBondContact O-CB 3.46Å; R210-R214 PolarHBondContact O-N 2.69Å; E211-R214 CarbonylContact O-C 3.32Å; E211-R214 WeakPolarHBondContact O-CA 3.39Å; E211-R214 VanDerWaalsContact O-CB 3.25Å; E211-R214 WeakPolarHBondContact O-CB 3.34Å; E211-R214 PolarHBondContact O-N 2.94Å; E212-R214 PolarHBondContact O-N 2.95Å; R214-Q217 PolarHBondContact O-N 2.85Å; R214-K218 WeakPolarHBondContact O-CB 3.24Å; R214-K218 VanDerWaalsContact O-CG 3.26Å; R214-K218 WeakPolarHBondContact O-CG 3.2Å; R214-K218 PolarHBondContact O-N 2.97Å |
| 215 | E | 97.1 | Very high | 96.8 | Very high | 114 Ų | 114 | 112 Ų | 112 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 175.4 | -67.3 | -173.3 | 162.4 | 0 | 0 | 111.8 | E211 E212 Q217 K218 Q219 | E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.68Å; E212-E215 PolarHBondContact O-N 3.14Å; E212-E215 VanDerWaalsContact O-N 3.15Å; E215-Q217 VanDerWaalsContact C-N 3.27Å; E215-Q217 PolarHBondContact O-N 2.76Å; E215-K218 WeakPolarHBondContact O-CB 3.34Å; E215-K218 PolarHBondContact O-N 3.32Å; E215-K218 VanDerWaalsContact O-N 3.09Å; E215-Q219 PolarHBondContact O-N 2.84Å |
| 216 | V | 97.7 | Very high | 96.9 | Very high | 67 Ų | 67 | 107.3 Ų | 107.3 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.3 | -43 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | E212 Q219 K220 | E212-V216 VanDerWaalsContact O-CG2 3.32Å; E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 2.76Å; V216-Q219 PolarHBondContact O-N 3.32Å; V216-K220 HydrophobicContact CG1-CD 4.01Å; V216-K220 HydrophobicContact CG1-CG 4.49Å; V216-K220 WeakPolarHBondContact O-CB 3.32Å; V216-K220 VanDerWaalsContact O-CG 3.28Å; V216-K220 WeakPolarHBondContact O-CG 3.2Å; V216-K220 PolarHBondContact O-N 3.04Å |
| 217 | Q | 96.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 113.9 Ų | 113.9 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 176.1 | -75.8 | -179.5 | 17.8 | 0 | 0 | 112.7 | N213 R214 E215 Q219 K220 R221 | N213-Q217 WeakPolarHBondContact O-CB 3.07Å; N213-Q217 WeakPolarHBondContact O-CG 3.48Å; N213-Q217 PolarHBondContact O-N 3.22Å; R214-Q217 PolarHBondContact O-N 2.85Å; E215-Q217 VanDerWaalsContact C-N 3.27Å; E215-Q217 PolarHBondContact O-N 2.76Å; Q217-Q219 VanDerWaalsContact C-N 3.35Å; Q217-K220 PolarHBondContact O-N 3.05Å; Q217-R221 WeakPolarHBondContact O-CB 3.41Å; Q217-R221 VanDerWaalsContact O-CG 3.24Å; Q217-R221 WeakPolarHBondContact O-CG 3.13Å; Q217-R221 PolarHBondContact O-N 2.86Å |
| 218 | K | 97.4 | Very high | 96.9 | Very high | 124 Ų | 124 | 115.4 Ų | 115.4 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.1 | -75.6 | 169.1 | -178.5 | 174.3 | 0 | 110.5 | R214 E215 R221 F222 | R214-K218 WeakPolarHBondContact O-CB 3.24Å; R214-K218 VanDerWaalsContact O-CG 3.26Å; R214-K218 WeakPolarHBondContact O-CG 3.2Å; R214-K218 PolarHBondContact O-N 2.97Å; E215-K218 WeakPolarHBondContact O-CB 3.34Å; E215-K218 PolarHBondContact O-N 3.32Å; E215-K218 VanDerWaalsContact O-N 3.09Å; K218-R221 PolarHBondContact O-N 3.15Å; K218-F222 WeakPolarHBondContact O-CB 3.41Å; K218-F222 PolarHBondContact O-N 3.39Å |
| 219 | Q | 97.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 178 | -171.1 | 60.3 | 36.6 | 0 | 0 | 111.8 | E215 V216 Q217 R221 F222 N223 | E215-Q219 PolarHBondContact O-N 2.84Å; V216-Q219 PolarHBondContact O-N 3.32Å; Q217-Q219 VanDerWaalsContact C-N 3.35Å; Q219-R221 VanDerWaalsContact C-N 3.34Å; Q219-R221 PolarHBondContact O-N 3.12Å; Q219-F222 PolarHBondContact O-N 3.33Å; Q219-N223 PolarHBondContact NE2-OD1 3.19Å; Q219-N223 WeakPolarHBondContact O-CB 3.47Å; Q219-N223 VanDerWaalsContact O-CG 3.27Å; Q219-N223 PolarHBondContact O-N 3.16Å |
| 220 | K | 97.9 | Very high | 96.8 | Very high | 144 Ų | 144 | 120.4 Ų | 120.4 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.9 | -43.2 | 175.2 | -75.7 | 174.2 | -179.5 | 174.6 | 0 | 111.8 | V216 Q217 N223 K224 | V216-K220 HydrophobicContact CG1-CD 4.01Å; V216-K220 HydrophobicContact CG1-CG 4.49Å; V216-K220 WeakPolarHBondContact O-CB 3.32Å; V216-K220 VanDerWaalsContact O-CG 3.28Å; V216-K220 WeakPolarHBondContact O-CG 3.2Å; V216-K220 PolarHBondContact O-N 3.04Å; Q217-K220 PolarHBondContact O-N 3.05Å; K220-N223 PolarHBondContact O-N 2.89Å; K220-K224 WeakPolarHBondContact O-CB 3.41Å; K220-K224 PolarHBondContact O-N 2.86Å |
| 221 | R | 97.9 | Very high | 96.5 | Very high | 168 Ų | 168 | 123.2 Ų | 123.2 | 63% | 0.634 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 176.1 | -73.9 | 174.7 | -171 | -151.5 | 4.5 | 111.5 | Q217 K218 Q219 K224 K225 | Q217-R221 WeakPolarHBondContact O-CB 3.41Å; Q217-R221 VanDerWaalsContact O-CG 3.24Å; Q217-R221 WeakPolarHBondContact O-CG 3.13Å; Q217-R221 PolarHBondContact O-N 2.86Å; K218-R221 PolarHBondContact O-N 3.15Å; Q219-R221 VanDerWaalsContact C-N 3.34Å; Q219-R221 PolarHBondContact O-N 3.12Å; R221-K224 PolarHBondContact O-N 2.81Å; R221-K225 WeakPolarHBondContact O-CG 3.4Å; R221-K225 PolarHBondContact O-N 2.94Å |
| 222 | F | 98.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 119.8 Ų | 119.8 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -50.6 | 176.1 | 179.8 | -99.3 | 0 | 0 | 0 | 111.6 | K218 Q219 K224 K225 V226 | K218-F222 WeakPolarHBondContact O-CB 3.41Å; K218-F222 PolarHBondContact O-N 3.39Å; Q219-F222 PolarHBondContact O-N 3.33Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 3.47Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.68Å; F222-K225 VanDerWaalsContact O-N 3.08Å; F222-V226 HydrophobicContact CD1-CG2 4.2Å; F222-V226 HydrophobicContact CE1-CG2 3.79Å; F222-V226 HydrophobicContact CE2-CG2 4.35Å; F222-V226 HydrophobicContact CZ-CG2 3.87Å; F222-V226 WeakPolarHBondContact O-CG2 3.17Å; F222-V226 PolarHBondContact O-N 3.23Å |
| 223 | N | 97.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 117.7 Ų | 117.7 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.6 | -38.6 | 177.3 | -71.2 | -11.7 | 0 | 0 | 0 | 112.1 | Q219 K220 V226 K227 | Q219-N223 PolarHBondContact NE2-OD1 3.19Å; Q219-N223 WeakPolarHBondContact O-CB 3.47Å; Q219-N223 VanDerWaalsContact O-CG 3.27Å; Q219-N223 PolarHBondContact O-N 3.16Å; K220-N223 PolarHBondContact O-N 2.89Å; N223-V226 PolarHBondContact O-N 2.87Å; N223-K227 WeakPolarHBondContact O-CB 2.75Å; N223-K227 PolarHBondContact O-N 3.13Å |
| 224 | K | 97.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 120.9 Ų | 120.9 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 174.2 | -175.9 | 178.7 | 174.9 | -178.7 | 0 | 111.4 | K220 R221 F222 V226 K227 E228 | K220-K224 WeakPolarHBondContact O-CB 3.41Å; K220-K224 PolarHBondContact O-N 2.86Å; R221-K224 PolarHBondContact O-N 2.81Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 3.47Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-V226 PolarHBondContact O-N 3.45Å; K224-K227 PolarHBondContact O-N 3.23Å; K224-E228 WeakPolarHBondContact CE-OE1 3.38Å; K224-E228 WeakPolarHBondContact O-CG 3.27Å; K224-E228 PolarHBondContact O-N 2.85Å |
| 225 | K | 97.6 | Very high | 94.7 | Very high | 148 Ų | 148 | 116.3 Ų | 116.3 | 64% | 0.643 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 176.6 | -72.5 | 178.8 | 178.4 | -173.7 | 0 | 112.1 | R221 F222 K227 E228 L229 | R221-K225 WeakPolarHBondContact O-CG 3.4Å; R221-K225 PolarHBondContact O-N 2.94Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.68Å; F222-K225 VanDerWaalsContact O-N 3.08Å; K225-K227 PolarHBondContact O-N 2.75Å; K225-E228 PolarHBondContact O-N 3.33Å; K225-L229 WeakPolarHBondContact O-CB 3.3Å; K225-L229 PolarHBondContact O-N 3.01Å |
| 226 | V | 97.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 115.1 Ų | 115.1 | 24% | 0.242 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | F222 N223 K224 L229 R230 | F222-V226 HydrophobicContact CD1-CG2 4.2Å; F222-V226 HydrophobicContact CE1-CG2 3.79Å; F222-V226 HydrophobicContact CE2-CG2 4.35Å; F222-V226 HydrophobicContact CZ-CG2 3.87Å; F222-V226 WeakPolarHBondContact O-CG2 3.17Å; F222-V226 PolarHBondContact O-N 3.23Å; N223-V226 PolarHBondContact O-N 2.87Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-V226 PolarHBondContact O-N 3.45Å; V226-L229 PolarHBondContact O-N 3.01Å; V226-R230 WeakPolarHBondContact O-CB 3.22Å; V226-R230 VanDerWaalsContact O-CG 3.3Å; V226-R230 WeakPolarHBondContact O-CG 3.42Å; V226-R230 PolarHBondContact O-N 3.46Å |
| 227 | K | 96.6 | Very high | 92.4 | Very high | 159 Ų | 159 | 117.8 Ų | 117.8 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -42 | 176.9 | -174.9 | 176.8 | 179.8 | 177 | 0 | 111.9 | N223 K224 K225 R230 R231 | N223-K227 WeakPolarHBondContact O-CB 2.75Å; N223-K227 PolarHBondContact O-N 3.13Å; K224-K227 PolarHBondContact O-N 3.23Å; K225-K227 PolarHBondContact O-N 2.75Å; K227-R230 PolarHBondContact O-N 2.7Å; K227-R231 PolarHBondContact O-N 3.05Å |
| 228 | E | 95.4 | Very high | 90.8 | Very high | 105 Ų | 105 | 121.1 Ų | 121.1 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -45.8 | 175.4 | -75.3 | 171.3 | 179.3 | 0 | 0 | 111.4 | K224 K225 R230 R231 A232 | K224-E228 WeakPolarHBondContact CE-OE1 3.38Å; K224-E228 WeakPolarHBondContact O-CG 3.27Å; K224-E228 PolarHBondContact O-N 2.85Å; K225-E228 PolarHBondContact O-N 3.33Å; E228-R230 PolarHBondContact O-N 2.8Å; E228-R231 WeakPolarHBondContact O-CB 3.46Å; E228-R231 PolarHBondContact O-N 2.97Å; E228-R231 VanDerWaalsContact O-N 3.13Å; E228-A232 PolarHBondContact O-N 3.06Å |
| 229 | L | 95.2 | Very high | 89.4 | Confident | 116 Ų | 116 | 120.3 Ų | 120.3 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.3 | -47.4 | 175.1 | -178.6 | 64.1 | 0 | 0 | 0 | 111.6 | K225 V226 R231 A232 V233 | K225-L229 WeakPolarHBondContact O-CB 3.3Å; K225-L229 PolarHBondContact O-N 3.01Å; V226-L229 PolarHBondContact O-N 3.01Å; L229-R231 VanDerWaalsContact C-N 3.28Å; L229-R231 PolarHBondContact O-N 3.05Å; L229-A232 PolarHBondContact O-N 2.98Å; L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 3.28Å |
| 230 | R | 93.3 | Very high | 87.9 | Confident | 154 Ų | 154 | 122.3 Ų | 122.3 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.2 | -37.9 | 175.8 | -73.5 | 175.3 | -178.6 | -172.7 | 0.9 | 112.2 | V226 K227 E228 R234 | V226-R230 WeakPolarHBondContact O-CB 3.22Å; V226-R230 VanDerWaalsContact O-CG 3.3Å; V226-R230 WeakPolarHBondContact O-CG 3.42Å; V226-R230 PolarHBondContact O-N 3.46Å; K227-R230 PolarHBondContact O-N 2.7Å; E228-R230 PolarHBondContact O-N 2.8Å; R230-R234 WeakPolarHBondContact O-CB 3.36Å; R230-R234 WeakPolarHBondContact O-CG 2.82Å; R230-R234 PolarHBondContact O-N 3.07Å |
| 231 | R | 90.8 | Very high | 86.2 | Confident | 190 Ų | 190 | 122.6 Ų | 122.6 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.8 | -45.6 | 176.5 | -177.3 | -179 | 172.5 | -160.8 | -2.6 | 110.9 | K227 E228 L229 R234 S235 | K227-R231 PolarHBondContact O-N 3.05Å; E228-R231 WeakPolarHBondContact O-CB 3.46Å; E228-R231 PolarHBondContact O-N 2.97Å; E228-R231 VanDerWaalsContact O-N 3.13Å; L229-R231 VanDerWaalsContact C-N 3.28Å; L229-R231 PolarHBondContact O-N 3.05Å; R231-R234 PolarHBondContact O-N 3.48Å; R231-S235 PolarHBondContact O-N 2.86Å; R231-S235 PolarHBondContact O-OG 3.39Å |
| 232 | A | 91.2 | Very high | 84.7 | Confident | 54 Ų | 54 | 120.9 Ų | 120.9 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.9 | -46.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E228 L229 S235 S236 | E228-A232 PolarHBondContact O-N 3.06Å; L229-A232 PolarHBondContact O-N 2.98Å; A232-S235 WeakPolarHBondContact CA-OG 3.5Å; A232-S235 PolarHBondContact O-N 3.46Å; A232-S235 PolarHBondContact O-OG 3.06Å; A232-S236 PolarHBondContact O-N 3.32Å; A232-S236 PolarHBondContact O-OG 2.74Å |
| 233 | V | 91.6 | Very high | 83.7 | Confident | 81 Ų | 81 | 120 Ų | 120 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -40.5 | 176.4 | 175 | 0 | 0 | 0 | 0 | 111.8 | L229 S236 V237 | L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 3.28Å; V233-S236 PolarHBondContact O-N 3.23Å; V233-S236 PolarHBondContact O-OG 3.39Å; V233-V237 WeakPolarHBondContact O-CG2 3.37Å; V233-V237 PolarHBondContact O-N 3.09Å |
| 234 | R | 86.8 | Confident | 82.4 | Confident | 162 Ų | 162 | 119.8 Ų | 119.8 | 61% | 0.611 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.6 | -40.8 | 175.7 | -77 | -172.6 | -146.7 | 120.9 | -2 | 112.5 | R230 R231 S236 V237 W238 | R230-R234 WeakPolarHBondContact O-CB 3.36Å; R230-R234 WeakPolarHBondContact O-CG 2.82Å; R230-R234 PolarHBondContact O-N 3.07Å; R231-R234 PolarHBondContact O-N 3.48Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 2.9Å; R234-V237 PolarHBondContact O-N 3.21Å; R234-W238 WeakPolarHBondContact O-CB 3.17Å; R234-W238 PolarHBondContact O-N 2.91Å |
| 235 | S | 78.1 | Confident | 81.5 | Confident | 73 Ų | 73 | 117.6 Ų | 117.6 | 51% | 0.51 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.9 | -26.8 | 178.6 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | R231 A232 | R231-S235 PolarHBondContact O-N 2.86Å; R231-S235 PolarHBondContact O-OG 3.39Å; A232-S235 WeakPolarHBondContact CA-OG 3.5Å; A232-S235 PolarHBondContact O-N 3.46Å; A232-S235 PolarHBondContact O-OG 3.06Å |
| 236 | S | 72.9 | Confident | 80.6 | Confident | 89 Ų | 89 | 118.5 Ų | 118.5 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.4 | -29.8 | 176 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | A232 V233 R234 | A232-S236 PolarHBondContact O-N 3.32Å; A232-S236 PolarHBondContact O-OG 2.74Å; V233-S236 PolarHBondContact O-N 3.23Å; V233-S236 PolarHBondContact O-OG 3.39Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 2.9Å |
| 237 | V | 71.8 | Confident | 79.8 | Confident | 123 Ų | 123 | 120.3 Ų | 120.3 | 75% | 0.745 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.9 | -28.1 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | V233 R234 | V233-V237 WeakPolarHBondContact O-CG2 3.37Å; V233-V237 PolarHBondContact O-N 3.09Å; R234-V237 PolarHBondContact O-N 3.21Å |
| 238 | W | 64.1 | Low | 79 | Confident | 173 Ų | 173 | 119.3 Ų | 119.3 | 66% | 0.655 | 62% | 0.616 | S | S | * | * | trans | -118.4 | 85.9 | -176.5 | -168.1 | 79.3 | 0 | 0 | 0 | 110.9 | R234 K240 | R234-W238 WeakPolarHBondContact O-CB 3.17Å; R234-W238 PolarHBondContact O-N 2.91Å; W238-K240 HydrophobicContact CH2-CD 3.45Å; W238-K240 VanDerWaalsContact CH2-CD 3.45Å; W238-K240 HydrophobicContact CH2-CG 3.59Å; W238-K240 HydrophobicContact CZ2-CD 3.84Å; W238-K240 VanDerWaalsContact CZ2-CE 3.41Å; W238-K240 HydrophobicContact CZ2-CG 3.59Å; W238-K240 HydrophobicContact CZ3-CD 4.07Å; W238-K240 HydrophobicContact CZ3-CG 4.03Å | ||
| 239 | T | 68.4 | Low | 78.5 | Confident | 108 Ų | 108 | 117.8 Ų | 117.8 | 66% | 0.663 | 61% | 0.607 | S | S | * | * | trans | -90.9 | 116.3 | 160.3 | 48.4 | 0 | 0 | 0 | 0 | 107.7 | D241 | T239-D241 PolarHBondContact O-N 3.31Š| ||
| 240 | K | 64.8 | Low | 77.8 | Confident | 144 Ų | 144 | 113 Ų | 113 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | trans | -64.2 | 121.2 | 164.2 | -90.8 | 177.6 | 163 | 174.8 | 0 | 107.1 | W238 T242 | W238-K240 HydrophobicContact CH2-CD 3.45Å; W238-K240 VanDerWaalsContact CH2-CD 3.45Å; W238-K240 HydrophobicContact CH2-CG 3.59Å; W238-K240 HydrophobicContact CZ2-CD 3.84Å; W238-K240 VanDerWaalsContact CZ2-CE 3.41Å; W238-K240 HydrophobicContact CZ2-CG 3.59Å; W238-K240 HydrophobicContact CZ3-CD 4.07Å; W238-K240 HydrophobicContact CZ3-CG 4.03Å; K240-T242 VanDerWaalsContact C-N 3.31Å; K240-T242 PolarHBondContact O-N 3.25Å | ||
| 241 | D | 63.6 | Low | 77 | Confident | 150 Ų | 150 | 111.2 Ų | 111.2 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | trans | -61.4 | 100.5 | 166 | -74.2 | -29.6 | 0 | 0 | 0 | 107.7 | T239 S243 | T239-D241 PolarHBondContact O-N 3.31Å; D241-S243 PolarHBondContact O-N 2.77Å | ||
| 242 | T | 66.6 | Low | 76.4 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 81% | 0.81 | 58% | 0.576 | S | S | * | * | trans | -89 | 16.2 | 173.3 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | K240 A244 | K240-T242 VanDerWaalsContact C-N 3.31Å; K240-T242 PolarHBondContact O-N 3.25Å; T242-A244 PolarHBondContact O-N 2.88Å | ||
| 243 | S | 75.2 | Confident | 75.7 | Confident | 104 Ų | 104 | 108.6 Ų | 108.6 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | trans | -55.4 | 103.2 | 168.4 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | D241 H245 | D241-S243 PolarHBondContact O-N 2.77Å; S243-H245 PolarHBondContact O-N 2.77Å | ||
| 244 | A | 71 | Confident | 74.9 | Confident | 80 Ų | 80 | 108.9 Ų | 108.9 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | trans | -60.7 | 128.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | T242 Q246 | T242-A244 PolarHBondContact O-N 2.88Å; A244-Q246 PolarHBondContact O-N 2.88Å | ||
| 245 | H | 78.8 | Confident | 74.3 | Confident | 85 Ų | 85 | 105 Ų | 105 | 39% | 0.394 | 57% | 0.572 | S | S | . | * | trans | -54.2 | 116.3 | 176.4 | 178.1 | 57.4 | 0 | 0 | 0 | 109.2 | S243 H247 T268 C269 | S243-H245 PolarHBondContact O-N 2.77Å; H245-H247 AromaticContact CD2-CE1 3.78Å; H245-H247 AromaticContact CD2-ND1 3.61Å; H245-H247 PolarHBondContact O-N 2.78Å; H245-T268 WeakPolarHBondContact CE1-CB 3.2Å; H245-T268 PolarHBondContact CE1-OG1 3.14Å; H245-T268 WeakPolarHBondContact NE2-CB 3.39Å; H245-T268 PolarHBondContact NE2-OG1 2.81Å; H245-C269 VanDerWaalsContact CD2-SG 3.56Å | ||
| 246 | Q | 79 | Confident | 74 | Confident | 167 Ų | 167 | 105.6 Ų | 105.6 | 78% | 0.78 | 57% | 0.57 | S | S | * | * | trans | -74.4 | 114.3 | 173.2 | -75.4 | -177 | -9.4 | 0 | 0 | 107.9 | A244 E248 | A244-Q246 PolarHBondContact O-N 2.88Å; Q246-E248 PolarHBondContact O-N 3.3Å | ||
| 247 | H | 80.2 | Confident | 73.7 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 36% | 0.356 | 58% | 0.575 | S | S | . | * | trans | -75.7 | 110.8 | -179 | -65.3 | -80.1 | 0 | 0 | 0 | 110.5 | H245 Y249 C266 C269 H271 | H245-H247 AromaticContact CD2-CE1 3.78Å; H245-H247 AromaticContact CD2-ND1 3.61Å; H245-H247 PolarHBondContact O-N 2.78Å; H247-Y249 HydrophobicContact CB-CD2 4.17Å; H247-Y249 HydrophobicContact CB-CE1 4.46Å; H247-Y249 HydrophobicContact CB-CE2 3.51Å; H247-C266 WeakPolarHBondContact CA-SG 3.4Å; H247-C266 HydrophobicContact CB-CB 4.14Å; H247-C266 PolarHBondContact ND1-SG 2.97Å; H247-C269 PolarHBondContact CE1-SG 3.05Å; H247-C269 PolarHBondContact ND1-SG 3.45Å; H247-H271 VanDerWaalsContact CE1-CB 3.48Å; H247-H271 WeakPolarHBondContact CE1-CB 3.31Å; H247-H271 AromaticContact CE1-CG 3.81Å | ||
| 248 | E | 80.8 | Confident | 73.5 | Confident | 138 Ų | 138 | 112.4 Ų | 112.4 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | trans | -89.5 | 109.5 | 164.1 | -69.2 | -177.4 | -178 | 0 | 0 | 108.6 | Q246 C266 N267 | Q246-E248 PolarHBondContact O-N 3.3Å; E248-C266 WeakPolarHBondContact O-CA 3.46Å; E248-C266 PolarHBondContact O-SG 2.81Å; E248-C266 VanDerWaalsContact O-SG 3.4Å; E248-N267 PolarHBondContact O-N 3.31Å | ||
| 249 | Y | 84.8 | Confident | 73.7 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 29% | 0.29 | 58% | 0.582 | S | S | . | * | B | Isolated β-bridge | trans | -83.7 | 133.3 | -179.9 | -70.1 | -78.1 | 0 | 0 | 0 | 111.2 | H247 K264 C266 H271 L273 | H247-Y249 HydrophobicContact CB-CD2 4.17Å; H247-Y249 HydrophobicContact CB-CE1 4.46Å; H247-Y249 HydrophobicContact CB-CE2 3.51Å; Y249-K264 HydrophobicContact CD1-CB 3.78Å; Y249-K264 HydrophobicContact CG-CB 4.14Å; Y249-C266 HydrophobicContact CD1-CB 4.08Å; Y249-C266 HydrophobicContact CE1-CB 3.97Å; Y249-H271 AromaticContact CE1-ND1 3.96Å; Y249-H271 AromaticContact CZ-ND1 3.93Å; Y249-H271 PolarHBondContact OH-ND1 2.86Å; Y249-L273 HydrophobicContact CD1-CB 4.41Å; Y249-L273 HydrophobicContact CE1-CB 3.68Å; Y249-L273 HydrophobicContact CE1-CD1 4.22Å; Y249-L273 HydrophobicContact CE2-CD1 4.08Å; Y249-L273 WeakPolarHBondContact OH-CD1 3.24Å |
| 250 | G | 79.3 | Confident | 74.1 | Confident | 14 Ų | 14 | 109.2 Ų | 109.2 | 14% | 0.144 | 57% | 0.571 | C | S | . | * | trans | -75.5 | -168.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | V265 | G250-V265 PolarHBondContact N-O 2.85Š| ||
| 251 | P | 76.5 | Confident | 74.9 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 76% | 0.76 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 150.6 | -179.2 | 24.9 | -33.2 | 0 | 0 | 0 | 112.6 | ||
| 252 | E | 79.8 | Confident | 75.8 | Confident | 76 Ų | 76 | 99.9 Ų | 99.9 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 126.5 | -178.7 | -70.9 | 174 | -155.5 | 0 | 0 | 111.1 | Y262 K264 Y275 K277 | E252-Y262 HydrophobicContact CB-CD1 4.45Å; E252-K264 HydrophobicContact CG-CD 4.09Å; E252-K264 HydrophobicContact CG-CG 3.83Å; E252-K264 WeakPolarHBondContact OE1-CE 3.49Å; E252-K264 IonicContact OE1-NZ 3.69Å; E252-K264 PolarHBondContact OE1-NZ 2.89Å; E252-Y275 WeakPolarHBondContact CG-OH 3.36Å; E252-Y275 PolarHBondContact OE1-OH 3.34Å; E252-Y275 PolarHBondContact OE2-OH 2.75Å; E252-K277 IonicContact OE1-NZ 3.77Å; E252-K277 IonicContact OE2-NZ 2.66Å; E252-K277 PolarHBondContact OE2-NZ 2.82Å |
| 253 | E | 76 | Confident | 76.8 | Confident | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.7 | 169.4 | -67.2 | -179.1 | 174.4 | 0 | 0 | 109.1 | R263 | E253-R263 PolarHBondContact N-O 2.86Å; E253-R263 PolarHBondContact O-N 2.62Å |
| 254 | I | 74 | Confident | 77.3 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 45% | 0.451 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.4 | 175 | -57.7 | 166.6 | 0 | 0 | 0 | 107.1 | E257 Y262 | I254-E257 HydrophobicContact CG2-CG 3.63Å; I254-Y262 HydrophobicContact CD1-CE1 4.25Å; I254-Y262 HydrophobicContact CG1-CD1 3.92Å; I254-Y262 HydrophobicContact CG1-CE1 3.58Å |
| 255 | V | 74.8 | Confident | 78 | Confident | 79 Ų | 79 | 93 Ų | 93 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -44.2 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 110 | L261 R263 | V255-L261 PolarHBondContact N-O 2.81Å; V255-L261 VanDerWaalsContact N-O 3.08Å; V255-R263 HydrophobicContact CG2-CB 3.69Å |
| 256 | D | 71.8 | Confident | 78.4 | Confident | 87 Ų | 87 | 89 Ų | 89 | 47% | 0.465 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 121.2 | 177.2 | -72.9 | -57.2 | 0 | 0 | 0 | 110.3 | L261 | D256-L261 HydrophobicContact CB-CB 4.46Å; D256-L261 HydrophobicContact CB-CD1 4.46Å; D256-L261 PolarHBondContact O-N 2.75Å |
| 257 | E | 66.3 | Low | 78.4 | Confident | 158 Ų | 158 | 86.7 Ų | 86.7 | 74% | 0.738 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -19.9 | -179.3 | -77.2 | -178.4 | 170.3 | 0 | 0 | 113.5 | I254 | I254-E257 HydrophobicContact CG2-CG 3.63Š|
| 258 | E | 68.9 | Low | 78.3 | Confident | 197 Ų | 197 | 87.2 Ų | 87.2 | 92% | 0.921 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -21 | -178.7 | -62.8 | -172.1 | 166.5 | 0 | 0 | 113.3 | ||
| 259 | E | 66.8 | Low | 78.4 | Confident | 132 Ų | 132 | 83.7 Ų | 83.7 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 11.7 | -177.8 | -67.9 | -170.8 | 176.2 | 0 | 0 | 112.8 | L261 | E259-L261 HydrophobicContact CB-CD1 3.7Å; E259-L261 HydrophobicContact CB-CG 4.27Å; E259-L261 PolarHBondContact O-N 3.25Å; E259-L261 VanDerWaalsContact O-N 3.16Å; E259-L261 WeakPolarHBondContact OE2-CD1 3.43Å |
| 260 | D | 77.6 | Confident | 78.1 | Confident | 81 Ų | 81 | 82.3 Ų | 82.3 | 43% | 0.433 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37.6 | 179.9 | -72.5 | -47.1 | 0 | 0 | 0 | 114.6 | Y262 E276 K277 | D260-Y262 VanDerWaalsContact O-CD2 3.23Å; D260-Y262 WeakPolarHBondContact O-CD2 3.39Å; D260-Y262 WeakPolarHBondContact O-CE2 2.98Å; D260-E276 HydrophobicContact CB-CG 4.48Å; D260-E276 WeakPolarHBondContact O-CA 3.29Å; D260-K277 PolarHBondContact O-N 3.06Å |
| 261 | L | 81.1 | Confident | 78.3 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 28% | 0.277 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.2 | -176.9 | -82.2 | 155.2 | 0 | 0 | 0 | 112.4 | V255 D256 E259 | V255-L261 PolarHBondContact N-O 2.81Å; V255-L261 VanDerWaalsContact N-O 3.08Å; D256-L261 HydrophobicContact CB-CB 4.46Å; D256-L261 HydrophobicContact CB-CD1 4.46Å; D256-L261 PolarHBondContact O-N 2.75Å; E259-L261 HydrophobicContact CB-CD1 3.7Å; E259-L261 HydrophobicContact CB-CG 4.27Å; E259-L261 PolarHBondContact O-N 3.25Å; E259-L261 VanDerWaalsContact O-N 3.16Å; E259-L261 WeakPolarHBondContact OE2-CD1 3.43Å |
| 262 | Y | 82.5 | Confident | 78.8 | Confident | 45 Ų | 45 | 84.9 Ų | 84.9 | 18% | 0.176 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.1 | 179.2 | -63.6 | -95.6 | 0 | 0 | 0 | 111.6 | E252 I254 D260 T274 Y275 K277 | E252-Y262 HydrophobicContact CB-CD1 4.45Å; I254-Y262 HydrophobicContact CD1-CE1 4.25Å; I254-Y262 HydrophobicContact CG1-CD1 3.92Å; I254-Y262 HydrophobicContact CG1-CE1 3.58Å; D260-Y262 VanDerWaalsContact O-CD2 3.23Å; D260-Y262 WeakPolarHBondContact O-CD2 3.39Å; D260-Y262 WeakPolarHBondContact O-CE2 2.98Å; Y262-T274 CarbonylContact O-C 3.48Å; Y262-T274 VanDerWaalsContact O-CA 3.31Å; Y262-T274 WeakPolarHBondContact O-CA 3.26Å; Y262-Y275 HydrophobicContact CG-CE2 4.44Å; Y262-Y275 PolarHBondContact N-O 2.93Å; Y262-Y275 PolarHBondContact O-N 3.04Å; Y262-K277 HydrophobicContact CD2-CB 3.88Å; Y262-K277 HydrophobicContact CD2-CD 3.99Å; Y262-K277 HydrophobicContact CD2-CG 4.37Å; Y262-K277 HydrophobicContact CE2-CB 3.62Å; Y262-K277 HydrophobicContact CE2-CD 3.79Å; Y262-K277 HydrophobicContact CE2-CG 4.29Å; Y262-K277 HydrophobicContact CG-CD 4.48Å |
| 263 | R | 86.9 | Confident | 79 | Confident | 71 Ų | 71 | 84.6 Ų | 84.6 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.5 | 174.9 | -177.3 | 165.6 | 164.8 | -121.1 | 15.7 | 110.7 | E253 V255 E272 T274 | E253-R263 PolarHBondContact N-O 2.86Å; E253-R263 PolarHBondContact O-N 2.62Å; V255-R263 HydrophobicContact CG2-CB 3.69Å; R263-E272 IonicContact CZ-OE1 3.14Å; R263-E272 IonicContact CZ-OE2 4Å; R263-E272 IonicContact NE-OE1 2.83Å; R263-E272 IonicContact NE-OE2 2.69Å; R263-E272 PolarHBondContact NE-OE2 2.76Å; R263-E272 IonicContact NH2-OE1 2.7Å; R263-E272 PolarHBondContact NH2-OE1 2.84Å; R263-E272 IonicContact NH2-OE2 3.68Å; R263-E272 PolarHBondContact NH2-OE2 2.85Å; R263-T274 HydrophobicContact CB-CG2 4.06Å; R263-T274 HydrophobicContact CG-CG2 3.99Å |
| 264 | K | 86.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 23% | 0.226 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.6 | 171.6 | -77.4 | 179.7 | 179.4 | 168.7 | 0 | 110.4 | Y249 E252 E272 L273 Y275 | Y249-K264 HydrophobicContact CD1-CB 3.78Å; Y249-K264 HydrophobicContact CG-CB 4.14Å; E252-K264 HydrophobicContact CG-CD 4.09Å; E252-K264 HydrophobicContact CG-CG 3.83Å; E252-K264 WeakPolarHBondContact OE1-CE 3.49Å; E252-K264 IonicContact OE1-NZ 3.69Å; E252-K264 PolarHBondContact OE1-NZ 2.89Å; K264-E272 CarbonylContact O-C 3.57Å; K264-E272 WeakPolarHBondContact O-CA 3.47Å; K264-L273 PolarHBondContact N-O 2.94Å; K264-L273 PolarHBondContact O-N 3.22Å; K264-Y275 HydrophobicContact CD-CE1 3.78Å; K264-Y275 WeakPolarHBondContact CE-OH 3.28Å; K264-Y275 HydrophobicContact CG-CE1 3.95Å; K264-Y275 PolarHBondContact NZ-OH 3.16Å |
| 265 | V | 85.3 | Confident | 79.9 | Confident | 48 Ų | 48 | 82.2 Ų | 82.2 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.5 | 174.8 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | G250 H271 E272 | G250-V265 PolarHBondContact N-O 2.85Å; V265-H271 CarbonylContact C-O 3.52Å; V265-H271 WeakPolarHBondContact CA-O 3.13Å; V265-E272 HydrophobicContact CG1-CG 4.38Å; V265-E272 HydrophobicContact CG2-CG 4.14Å |
| 266 | C | 86.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.007 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 125.8 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | H247 E248 Y249 T268 C269 G270 H271 | H247-C266 WeakPolarHBondContact CA-SG 3.4Å; H247-C266 HydrophobicContact CB-CB 4.14Å; H247-C266 PolarHBondContact ND1-SG 2.97Å; E248-C266 WeakPolarHBondContact O-CA 3.46Å; E248-C266 PolarHBondContact O-SG 2.81Å; E248-C266 VanDerWaalsContact O-SG 3.4Å; Y249-C266 HydrophobicContact CD1-CB 4.08Å; Y249-C266 HydrophobicContact CE1-CB 3.97Å; C266-T268 PolarHBondContact O-N 3.47Å; C266-T268 PolarHBondContact SG-OG1 3.14Å; C266-C269 VanDerWaalsContact SG-SG 3.64Å; C266-G270 WeakPolarHBondContact O-CA 3.3Å; C266-G270 PolarHBondContact O-N 3.25Å; C266-H271 HydrophobicContact CB-CB 4.1Å; C266-H271 PolarHBondContact N-O 3.08Å |
| 267 | N | 79.6 | Confident | 80.5 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.4 | -173 | -66.5 | -31.7 | 0 | 0 | 0 | 113.8 | E248 | E248-N267 PolarHBondContact O-N 3.31Š|
| 268 | T | 78.8 | Confident | 80.5 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -22.7 | -169.7 | 36.7 | 0 | 0 | 0 | 0 | 113.8 | H245 C266 | H245-T268 WeakPolarHBondContact CE1-CB 3.2Å; H245-T268 PolarHBondContact CE1-OG1 3.14Å; H245-T268 WeakPolarHBondContact NE2-CB 3.39Å; H245-T268 PolarHBondContact NE2-OG1 2.81Å; C266-T268 PolarHBondContact O-N 3.47Å; C266-T268 PolarHBondContact SG-OG1 3.14Å |
| 269 | C | 82 | Confident | 81.1 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 43% | 0.432 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -0.8 | -178.1 | 75.9 | 0 | 0 | 0 | 0 | 114.7 | H245 H247 C266 H271 | H245-C269 VanDerWaalsContact CD2-SG 3.56Å; H247-C269 PolarHBondContact CE1-SG 3.05Å; H247-C269 PolarHBondContact ND1-SG 3.45Å; C266-C269 VanDerWaalsContact SG-SG 3.64Å; C269-H271 PolarHBondContact O-N 3.42Å; C269-H271 WeakPolarHBondContact SG-CB 3.09Å; C269-H271 PolarHBondContact SG-N 2.99Å |
| 270 | G | 79.4 | Confident | 81.8 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | trans | 68.2 | 17.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | C266 | C266-G270 WeakPolarHBondContact O-CA 3.3Å; C266-G270 PolarHBondContact O-N 3.25Å | ||
| 271 | H | 83.8 | Confident | 82 | Confident | 85 Ų | 85 | 81.9 Ų | 81.9 | 39% | 0.394 | 42% | 0.424 | S | S | . | . | trans | -70.6 | 132 | 175.3 | -179.2 | -84.7 | 0 | 0 | 0 | 110.2 | H247 Y249 V265 C266 C269 | H247-H271 VanDerWaalsContact CE1-CB 3.48Å; H247-H271 WeakPolarHBondContact CE1-CB 3.31Å; H247-H271 AromaticContact CE1-CG 3.81Å; Y249-H271 AromaticContact CE1-ND1 3.96Å; Y249-H271 AromaticContact CZ-ND1 3.93Å; Y249-H271 PolarHBondContact OH-ND1 2.86Å; V265-H271 CarbonylContact C-O 3.52Å; V265-H271 WeakPolarHBondContact CA-O 3.13Å; C266-H271 HydrophobicContact CB-CB 4.1Å; C266-H271 PolarHBondContact N-O 3.08Å; C269-H271 PolarHBondContact O-N 3.42Å; C269-H271 WeakPolarHBondContact SG-CB 3.09Å; C269-H271 PolarHBondContact SG-N 2.99Å | ||
| 272 | E | 85.1 | Confident | 82.1 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 47% | 0.467 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | -176.6 | -52 | -179.5 | 177.2 | 0 | 0 | 110 | R263 K264 V265 | R263-E272 IonicContact CZ-OE1 3.14Å; R263-E272 IonicContact CZ-OE2 4Å; R263-E272 IonicContact NE-OE1 2.83Å; R263-E272 IonicContact NE-OE2 2.69Å; R263-E272 PolarHBondContact NE-OE2 2.76Å; R263-E272 IonicContact NH2-OE1 2.7Å; R263-E272 PolarHBondContact NH2-OE1 2.84Å; R263-E272 IonicContact NH2-OE2 3.68Å; R263-E272 PolarHBondContact NH2-OE2 2.85Å; K264-E272 CarbonylContact O-C 3.57Å; K264-E272 WeakPolarHBondContact O-CA 3.47Å; V265-E272 HydrophobicContact CG1-CG 4.38Å; V265-E272 HydrophobicContact CG2-CG 4.14Å |
| 273 | L | 84.2 | Confident | 82.1 | Confident | 70 Ų | 70 | 86 Ų | 86 | 37% | 0.366 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 111 | -179.7 | -152.5 | 149.8 | 0 | 0 | 0 | 108.2 | Y249 K264 Y275 | Y249-L273 HydrophobicContact CD1-CB 4.41Å; Y249-L273 HydrophobicContact CE1-CB 3.68Å; Y249-L273 HydrophobicContact CE1-CD1 4.22Å; Y249-L273 HydrophobicContact CE2-CD1 4.08Å; Y249-L273 WeakPolarHBondContact OH-CD1 3.24Å; K264-L273 PolarHBondContact N-O 2.94Å; K264-L273 PolarHBondContact O-N 3.22Å; L273-Y275 HydrophobicContact CD2-CD1 4.2Å |
| 274 | T | 85.8 | Confident | 81.8 | Confident | 96 Ų | 96 | 87 Ų | 87 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.5 | 175.4 | 49 | 0 | 0 | 0 | 0 | 109.7 | Y262 R263 | Y262-T274 CarbonylContact O-C 3.48Å; Y262-T274 VanDerWaalsContact O-CA 3.31Å; Y262-T274 WeakPolarHBondContact O-CA 3.26Å; R263-T274 HydrophobicContact CB-CG2 4.06Å; R263-T274 HydrophobicContact CG-CG2 3.99Å |
| 275 | Y | 83.8 | Confident | 81.4 | Confident | 55 Ų | 55 | 89.5 Ų | 89.5 | 22% | 0.216 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.5 | 178.2 | 66 | -86.9 | 0 | 0 | 0 | 111.3 | E252 Y262 K264 L273 K277 | E252-Y275 WeakPolarHBondContact CG-OH 3.36Å; E252-Y275 PolarHBondContact OE1-OH 3.34Å; E252-Y275 PolarHBondContact OE2-OH 2.75Å; Y262-Y275 HydrophobicContact CG-CE2 4.44Å; Y262-Y275 PolarHBondContact N-O 2.93Å; Y262-Y275 PolarHBondContact O-N 3.04Å; K264-Y275 HydrophobicContact CD-CE1 3.78Å; K264-Y275 WeakPolarHBondContact CE-OH 3.28Å; K264-Y275 HydrophobicContact CG-CE1 3.95Å; K264-Y275 PolarHBondContact NZ-OH 3.16Å; L273-Y275 HydrophobicContact CD2-CD1 4.2Å; Y275-K277 HydrophobicContact CE2-CD 4.28Å; Y275-K277 HydrophobicContact CE2-CG 4.07Å |
| 276 | E | 82.4 | Confident | 81.1 | Confident | 137 Ų | 137 | 92.7 Ų | 92.7 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138 | 176.4 | -169.2 | -178.5 | 173.1 | 0 | 0 | 109.4 | D260 | D260-E276 HydrophobicContact CB-CG 4.48Å; D260-E276 WeakPolarHBondContact O-CA 3.29Å |
| 277 | K | 77.4 | Confident | 80.6 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | trans | -101.1 | 110.2 | 176.8 | -115.9 | 167.8 | 179.1 | 176.8 | 0 | 109 | E252 D260 Y262 Y275 | E252-K277 IonicContact OE1-NZ 3.77Å; E252-K277 IonicContact OE2-NZ 2.66Å; E252-K277 PolarHBondContact OE2-NZ 2.82Å; D260-K277 PolarHBondContact O-N 3.06Å; Y262-K277 HydrophobicContact CD2-CB 3.88Å; Y262-K277 HydrophobicContact CD2-CD 3.99Å; Y262-K277 HydrophobicContact CD2-CG 4.37Å; Y262-K277 HydrophobicContact CE2-CB 3.62Å; Y262-K277 HydrophobicContact CE2-CD 3.79Å; Y262-K277 HydrophobicContact CE2-CG 4.29Å; Y262-K277 HydrophobicContact CG-CD 4.48Å; Y275-K277 HydrophobicContact CE2-CD 4.28Å; Y275-K277 HydrophobicContact CE2-CG 4.07Å | ||
| 278 | M | 65.1 | Low | 80.7 | Confident | 250 Ų | 250 | 98.6 Ų | 98.6 | 100% | 1.232 | 52% | 0.523 | S | S | * | . | trans | -79.3 | 0 | 173.5 | -119.9 | -178.5 | -91.1 | 0 | 0 | 112.6 |
Retrieved 278 of 278 residues in 497.4 ms
(Link to these results)