| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 52.9 | Low | 239 Ų | 239 | 147.3 Ų | 147.3 | 100% | 1.177 | 83% | 0.828 | S | S | * | * | 0 | 101.9 | 0 | -59 | 168.3 | 169.6 | 0 | 0 | 106.4 | |||||
| 2 | S | 41.8 | Very low | 53.1 | Low | 133 Ų | 133 | 146 Ų | 146 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -99.5 | 114.8 | -179.1 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | V | 54.9 | Low | 53.1 | Low | 139 Ų | 139 | 140.5 Ų | 140.5 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -95.8 | 114.1 | 175.9 | -159.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | G | 58 | Low | 53.5 | Low | 51 Ų | 51 | 139.1 Ų | 139.1 | 53% | 0.526 | 80% | 0.801 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 167.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y6 | G4-Y6 PolarHBondContact O-N 2.82Š|
| 5 | P | 58.7 | Low | 53.6 | Low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 121.3 | -178.9 | 28.9 | -32.5 | 0 | 0 | 0 | 109.8 | E7 | P5-E7 PolarHBondContact O-N 3.11Š|
| 6 | Y | 58.6 | Low | 53.7 | Low | 202 Ų | 202 | 143.1 Ų | 143.1 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 116.4 | 176.2 | 17.5 | -90.7 | 0 | 0 | 0 | 110.7 | G4 L8 | G4-Y6 PolarHBondContact O-N 2.82Å; Y6-L8 PolarHBondContact O-N 3.22Å |
| 7 | E | 52.7 | Low | 53.7 | Low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.8 | 167.1 | -78.9 | -148.5 | 114 | 0 | 0 | 110.1 | P5 S9 | P5-E7 PolarHBondContact O-N 3.11Å; E7-S9 PolarHBondContact O-N 3.24Å; E7-S9 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 48.9 | Very low | 53.6 | Low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -69.1 | 104 | 167.7 | -94.2 | 89.8 | 0 | 0 | 0 | 109.2 | Y6 | Y6-L8 PolarHBondContact O-N 3.22Š| ||
| 9 | S | 57.1 | Low | 53.4 | Low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | trans | -73.1 | 135.1 | 162.5 | -72.2 | 0 | 0 | 0 | 0 | 110.1 | E7 I11 | E7-S9 PolarHBondContact O-N 3.24Å; E7-S9 VanDerWaalsContact O-N 3.15Å; S9-I11 PolarHBondContact O-N 2.81Å | ||
| 10 | P | 53.6 | Low | 52.9 | Low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -66.6 | 117.2 | 178.9 | 25.4 | -31.3 | 0 | 0 | 0 | 110.4 | T12 | P10-T12 PolarHBondContact O-N 2.65Š| ||
| 11 | I | 56 | Low | 52.7 | Low | 155 Ų | 155 | 140.4 Ų | 140.4 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -76.4 | 111.8 | 174.6 | -61.9 | 171.9 | 0 | 0 | 0 | 108.1 | S9 C13 | S9-I11 PolarHBondContact O-N 2.81Å; I11-C13 PolarHBondContact O-N 2.91Å | ||
| 12 | T | 55 | Low | 53 | Low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 110.3 | 167.1 | -49.6 | 0 | 0 | 0 | 0 | 108.5 | P10 | P10-T12 PolarHBondContact O-N 2.65Š| ||
| 13 | C | 53 | Low | 53.2 | Low | 74 Ų | 74 | 137.5 Ų | 137.5 | 50% | 0.5 | 78% | 0.782 | S | S | . | * | trans | -68.5 | 133.8 | 172.9 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | I11 I15 | I11-C13 PolarHBondContact O-N 2.91Å; C13-I15 PolarHBondContact O-N 3.14Å | ||
| 14 | P | 58.2 | Low | 52.7 | Low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 128 | 172.3 | 26 | -31 | 0 | 0 | 0 | 109.5 | M16 | P14-M16 PolarHBondContact O-N 2.93Š| ||
| 15 | I | 55.9 | Low | 52.2 | Low | 156 Ų | 156 | 142.8 Ų | 142.8 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -69.6 | 108.3 | 172.9 | -56.5 | 165.7 | 0 | 0 | 0 | 106 | C13 E17 | C13-I15 PolarHBondContact O-N 3.14Å; I15-E17 PolarHBondContact O-N 2.81Å; I15-E17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | M | 55.3 | Low | 51.6 | Low | 186 Ų | 186 | 143.4 Ų | 143.4 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 108.2 | 163.7 | -91.8 | -169.4 | 161.5 | 0 | 0 | 107.1 | P14 G18 | P14-M16 PolarHBondContact O-N 2.93Å; M16-G18 VanDerWaalsContact C-N 3.32Å; M16-G18 PolarHBondContact O-N 3.17Å | ||
| 17 | E | 52.8 | Low | 51.1 | Low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -62.1 | 95.2 | 168.3 | -66.4 | -176.9 | 113.9 | 0 | 0 | 108 | I15 E19 | I15-E17 PolarHBondContact O-N 2.81Å; I15-E17 VanDerWaalsContact O-N 3.14Å; E17-E19 PolarHBondContact O-N 3.37Å | ||
| 18 | G | 52.4 | Low | 50.6 | Low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 107.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | M16 G20 | M16-G18 VanDerWaalsContact C-N 3.32Å; M16-G18 PolarHBondContact O-N 3.17Å; G18-G20 PolarHBondContact O-N 3.31Å | ||
| 19 | E | 49 | Very low | 50.3 | Low | 196 Ų | 196 | 136.1 Ų | 136.1 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -46.6 | 119.8 | 170.9 | -167.2 | 169.7 | 101.2 | 0 | 0 | 110.3 | E17 | E17-E19 PolarHBondContact O-N 3.37Š| ||
| 20 | G | 44.2 | Very low | 49.5 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 135.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | G18 | G18-G20 PolarHBondContact O-N 3.31Š| ||
| 21 | T | 48.4 | Very low | 48.9 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -145.2 | 138 | 143.1 | 29.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 22 | D | 47.8 | Very low | 48.2 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 88.3 | 100 | 155.8 | -114 | -121.4 | 0 | 0 | 0 | 119.5 | ||
| 23 | H | 47.1 | Very low | 47.4 | Very low | 175 Ų | 175 | 138 Ų | 138 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 51.1 | 98.4 | 136.3 | -61.2 | -50 | 0 | 0 | 0 | 119.6 | ||||
| 24 | G | 45.2 | Very low | 47.1 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 131.5 | 95.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 25 | R | 46.2 | Very low | 46.3 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 68.2 | 122.7 | 164.1 | -62 | 179.4 | 172.1 | -179.8 | -2.3 | 115.7 | I27 | R25-I27 PolarHBondContact O-N 2.88Š| ||
| 26 | P | 46.4 | Very low | 45.6 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -70.3 | 88.7 | 166 | 30.8 | -30.5 | 0 | 0 | 0 | 107.6 | S28 | P26-S28 PolarHBondContact O-N 3.17Å; P26-S28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | I | 48.9 | Very low | 45.2 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -65.3 | 113.1 | 160.6 | -58.4 | 175.3 | 0 | 0 | 0 | 103.5 | R25 Q29 | R25-I27 PolarHBondContact O-N 2.88Å; I27-Q29 PolarHBondContact O-N 3.07Å | ||
| 28 | S | 42.2 | Very low | 44.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -59.7 | 81.2 | 169.7 | -167.8 | 0 | 0 | 0 | 0 | 107.5 | P26 R30 | P26-S28 PolarHBondContact O-N 3.17Å; P26-S28 VanDerWaalsContact O-N 3.11Å; S28-R30 PolarHBondContact O-N 2.65Å | ||
| 29 | Q | 42.1 | Very low | 44.6 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -74.6 | 85.9 | 175.8 | -129.4 | 178.7 | -9.1 | 0 | 0 | 104 | I27 T31 | I27-Q29 PolarHBondContact O-N 3.07Å; Q29-T31 PolarHBondContact O-N 3.39Å | ||
| 30 | R | 40.9 | Very low | 44.4 | Very low | 223 Ų | 223 | 127.7 Ų | 127.7 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | -61.1 | 88.1 | 149.8 | -79.4 | -173.8 | 176.7 | -179.2 | -0.8 | 105.1 | S28 I32 | S28-R30 PolarHBondContact O-N 2.65Å; R30-I32 PolarHBondContact O-N 3.42Å | ||
| 31 | T | 39.1 | Very low | 44.5 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | trans | -61 | 92.4 | 163.8 | -54.4 | 0 | 0 | 0 | 0 | 105 | Q29 C33 | Q29-T31 PolarHBondContact O-N 3.39Å; T31-C33 PolarHBondContact O-N 2.78Å | ||
| 32 | I | 41.6 | Very low | 44.4 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -61.5 | 100.2 | 164.7 | -60.5 | 168.2 | 0 | 0 | 0 | 102.9 | R30 P34 | R30-I32 PolarHBondContact O-N 3.42Å; I32-P34 WeakPolarHBondContact O-CD 3.43Å; I32-P34 VanDerWaalsContact O-N 3.09Å | ||
| 33 | C | 38.7 | Very low | 44.4 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 49% | 0.486 | 71% | 0.708 | S | S | . | * | trans | -50.3 | 122.3 | 167.5 | -73.9 | 0 | 0 | 0 | 0 | 105.3 | T31 Q35 | T31-C33 PolarHBondContact O-N 2.78Å; C33-Q35 PolarHBondContact O-N 3Å | ||
| 34 | P | 47.1 | Very low | 44.4 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -53.6 | 116.2 | 168.9 | 22.5 | -29.5 | 0 | 0 | 0 | 104.5 | I32 A36 | I32-P34 WeakPolarHBondContact O-CD 3.43Å; I32-P34 VanDerWaalsContact O-N 3.09Å; P34-A36 PolarHBondContact O-N 3.49Å | ||
| 35 | Q | 40.4 | Very low | 44.5 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -43.5 | 121.4 | 177.3 | -79.7 | -175.8 | 8.6 | 0 | 0 | 106 | C33 I37 | C33-Q35 PolarHBondContact O-N 3Å; Q35-I37 PolarHBondContact O-N 3.33Å | ||
| 36 | A | 42.9 | Very low | 44.3 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -54.2 | 96.3 | 176 | 0 | 0 | 0 | 0 | 0 | 105.9 | P34 P38 | P34-A36 PolarHBondContact O-N 3.49Å; A36-P38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | I | 46 | Very low | 44.2 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | trans | -52.4 | 122.4 | 172 | -75.3 | 178 | 0 | 0 | 0 | 103.8 | Q35 S39 | Q35-I37 PolarHBondContact O-N 3.33Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.67Å | ||
| 38 | P | 45.1 | Very low | 44.2 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | trans | -58.4 | 108.2 | 175.9 | 22.6 | -30.2 | 0 | 0 | 0 | 106 | A36 C40 | A36-P38 VanDerWaalsContact O-N 3.16Å; P38-C40 VanDerWaalsContact C-N 3.33Å; P38-C40 PolarHBondContact O-N 3.29Å; P38-C40 PolarHBondContact O-SG 3.36Å | ||
| 39 | S | 48.3 | Very low | 44.4 | Very low | 112 Ų | 112 | 111.6 Ų | 111.6 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | trans | -55.7 | 107.3 | 173.3 | -71.8 | 0 | 0 | 0 | 0 | 104.9 | I37 A41 | I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.67Å; S39-A41 PolarHBondContact O-N 3.37Å | ||
| 40 | C | 43.2 | Very low | 44.7 | Very low | 75 Ų | 75 | 108.5 Ų | 108.5 | 51% | 0.507 | 64% | 0.638 | S | S | . | * | trans | -64 | 92.9 | 170.1 | -47 | 0 | 0 | 0 | 0 | 103.9 | P38 L42 | P38-C40 VanDerWaalsContact C-N 3.33Å; P38-C40 PolarHBondContact O-N 3.29Å; P38-C40 PolarHBondContact O-SG 3.36Å; C40-L42 PolarHBondContact O-N 2.87Å | ||
| 41 | A | 46.6 | Very low | 45.1 | Very low | 103 Ų | 103 | 103.4 Ų | 103.4 | 85% | 0.851 | 63% | 0.627 | S | S | * | * | trans | -64.9 | 74.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | S39 D43 | S39-A41 PolarHBondContact O-N 3.37Å; A41-D43 PolarHBondContact O-N 3.08Å | ||
| 42 | L | 47 | Very low | 45.5 | Very low | 60 Ų | 60 | 98.8 Ų | 98.8 | 31% | 0.314 | 60% | 0.599 | S | S | . | * | trans | -87.6 | 94.7 | 175.6 | -161.3 | 73.7 | 0 | 0 | 0 | 104.5 | C40 I44 L47 S55 L56 | C40-L42 PolarHBondContact O-N 2.87Å; L42-I44 PolarHBondContact O-N 3.31Å; L42-L47 HydrophobicContact CB-CD1 4.38Å; L42-L47 HydrophobicContact CD2-CD1 3.58Å; L42-L47 HydrophobicContact CD2-CD2 3.98Å; L42-L47 HydrophobicContact CD2-CG 3.92Å; L42-L47 HydrophobicContact CG-CD1 3.67Å; L42-L47 HydrophobicContact CG-CG 4.36Å; L42-S55 WeakPolarHBondContact CD1-OG 3.44Å; L42-L56 HydrophobicContact CD2-CD2 3.64Å; L42-L56 HydrophobicContact CD2-CG 3.98Å | ||
| 43 | D | 46.5 | Very low | 45.8 | Very low | 113 Ų | 113 | 98.4 Ų | 98.4 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | trans | -50 | 111.9 | 175.3 | -166.6 | -72.4 | 0 | 0 | 0 | 109.1 | A41 G45 R46 | A41-D43 PolarHBondContact O-N 3.08Å; D43-G45 PolarHBondContact O-N 3.15Å; D43-G45 VanDerWaalsContact O-N 3.08Å; D43-G45 WeakPolarHBondContact OD1-CA 3.45Å; D43-G45 PolarHBondContact OD1-N 2.88Å; D43-R46 PolarHBondContact O-N 2.97Å | ||
| 44 | I | 47.3 | Very low | 46.3 | Very low | 110 Ų | 110 | 103.6 Ų | 103.6 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -59.7 | -22.7 | -176.3 | -61.9 | 169.9 | 0 | 0 | 0 | 110.4 | L42 R46 L47 V99 | L42-I44 PolarHBondContact O-N 3.31Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 2.81Å; I44-L47 PolarHBondContact O-N 2.92Å; I44-V99 HydrophobicContact CD1-CG2 4.46Å |
| 45 | G | 47.2 | Very low | 46.6 | Very low | 64 Ų | 64 | 100.3 Ų | 100.3 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -69.4 | -18.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D43 | D43-G45 PolarHBondContact O-N 3.15Å; D43-G45 VanDerWaalsContact O-N 3.08Å; D43-G45 WeakPolarHBondContact OD1-CA 3.45Å; D43-G45 PolarHBondContact OD1-N 2.88Å |
| 46 | R | 43.5 | Very low | 47.2 | Very low | 173 Ų | 173 | 95.7 Ų | 95.7 | 65% | 0.653 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -95.8 | -13.3 | 176.3 | -88.2 | -82.3 | 175.6 | 166.8 | -2.8 | 114.1 | D43 I44 S48 T49 | D43-R46 PolarHBondContact O-N 2.97Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 2.81Å; R46-S48 PolarHBondContact O-N 2.75Å; R46-T49 PolarHBondContact O-N 3.32Å; R46-T49 PolarHBondContact O-OG1 3.22Å |
| 47 | L | 44.5 | Very low | 47.9 | Very low | 48 Ų | 48 | 94 Ų | 94 | 25% | 0.251 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.6 | 179 | -87.9 | 108 | 0 | 0 | 0 | 114.7 | L42 I44 T49 L56 | L42-L47 HydrophobicContact CB-CD1 4.38Å; L42-L47 HydrophobicContact CD2-CD1 3.58Å; L42-L47 HydrophobicContact CD2-CD2 3.98Å; L42-L47 HydrophobicContact CD2-CG 3.92Å; L42-L47 HydrophobicContact CG-CD1 3.67Å; L42-L47 HydrophobicContact CG-CG 4.36Å; I44-L47 PolarHBondContact O-N 2.92Å; L47-T49 PolarHBondContact O-N 3.21Å; L47-L56 HydrophobicContact CD2-CD1 3.48Å; L47-L56 VanDerWaalsContact CD2-CD1 3.48Å; L47-L56 HydrophobicContact CD2-CD2 4.46Å; L47-L56 HydrophobicContact CD2-CG 3.99Å |
| 48 | S | 47.8 | Very low | 48.2 | Very low | 122 Ų | 122 | 94.3 Ų | 94.3 | 85% | 0.853 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -1.7 | 174.2 | -93.9 | 0 | 0 | 0 | 0 | 114.7 | R46 | R46-S48 PolarHBondContact O-N 2.75Š|
| 49 | T | 47.4 | Very low | 48.6 | Very low | 63 Ų | 63 | 91.1 Ų | 91.1 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -106.7 | 144.8 | 174 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | R46 L47 L51 G52 | R46-T49 PolarHBondContact O-N 3.32Å; R46-T49 PolarHBondContact O-OG1 3.22Å; L47-T49 PolarHBondContact O-N 3.21Å; T49-L51 PolarHBondContact O-N 3.26Å; T49-G52 PolarHBondContact O-N 3.49Å |
| 50 | S | 48.6 | Very low | 48.9 | Very low | 94 Ų | 94 | 90.7 Ų | 90.7 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -51.3 | -13.9 | -179.4 | 60.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 51 | L | 48.8 | Very low | 49.3 | Very low | 117 Ų | 117 | 93 Ų | 93 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.5 | -34.2 | 172.9 | -72.9 | 157.7 | 0 | 0 | 0 | 113.7 | T49 R54 S55 | T49-L51 PolarHBondContact O-N 3.26Å; L51-R54 PolarHBondContact O-N 2.82Å; L51-S55 PolarHBondContact O-N 2.61Å |
| 52 | G | 47.6 | Very low | 49.7 | Very low | 7 Ų | 7 | 95 Ų | 95 | 7% | 0.072 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -69.7 | -35.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T49 R54 S55 L56 | T49-G52 PolarHBondContact O-N 3.49Å; G52-R54 VanDerWaalsContact C-N 3.34Å; G52-R54 PolarHBondContact O-N 2.78Å; G52-S55 WeakPolarHBondContact O-CB 3.46Å; G52-S55 PolarHBondContact O-N 3.48Å; G52-L56 PolarHBondContact O-N 2.89Å; G52-L56 VanDerWaalsContact O-N 3.08Å |
| 53 | Q | 47.4 | Very low | 50 | Low | 143 Ų | 143 | 97.6 Ų | 97.6 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | 174.5 | -73.4 | -177.7 | -12.8 | 0 | 0 | 112.6 | S55 L56 S57 | Q53-S55 VanDerWaalsContact C-N 3.35Å; Q53-L56 PolarHBondContact O-N 3.4Å; Q53-S57 PolarHBondContact O-N 2.69Å |
| 54 | R | 48.6 | Very low | 50.4 | Low | 181 Ų | 181 | 97.6 Ų | 97.6 | 68% | 0.683 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.4 | -36.1 | 174.6 | -70.8 | -178.1 | 167.7 | -170.9 | -3.3 | 111.8 | L51 G52 S57 L58 | L51-R54 PolarHBondContact O-N 2.82Å; G52-R54 VanDerWaalsContact C-N 3.34Å; G52-R54 PolarHBondContact O-N 2.78Å; R54-S57 PolarHBondContact O-N 3.33Å; R54-L58 WeakPolarHBondContact O-CB 3.33Å; R54-L58 PolarHBondContact O-N 3.38Å |
| 55 | S | 53.5 | Low | 50.4 | Low | 48 Ų | 48 | 93.9 Ų | 93.9 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | L42 L51 G52 Q53 L58 C59 | L42-S55 WeakPolarHBondContact CD1-OG 3.44Å; L51-S55 PolarHBondContact O-N 2.61Å; G52-S55 WeakPolarHBondContact O-CB 3.46Å; G52-S55 PolarHBondContact O-N 3.48Å; Q53-S55 VanDerWaalsContact C-N 3.35Å; S55-L58 PolarHBondContact O-N 3.23Å; S55-C59 VanDerWaalsContact O-CB 3.27Å; S55-C59 WeakPolarHBondContact O-CB 2.9Å; S55-C59 PolarHBondContact O-N 3.42Å |
| 56 | L | 53.9 | Low | 50.5 | Low | 77 Ų | 77 | 96.2 Ų | 96.2 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 172.4 | -72.8 | 178.8 | 0 | 0 | 0 | 112.2 | L42 L47 G52 Q53 L58 C59 L60 | L42-L56 HydrophobicContact CD2-CD2 3.64Å; L42-L56 HydrophobicContact CD2-CG 3.98Å; L47-L56 HydrophobicContact CD2-CD1 3.48Å; L47-L56 VanDerWaalsContact CD2-CD1 3.48Å; L47-L56 HydrophobicContact CD2-CD2 4.46Å; L47-L56 HydrophobicContact CD2-CG 3.99Å; G52-L56 PolarHBondContact O-N 2.89Å; G52-L56 VanDerWaalsContact O-N 3.08Å; Q53-L56 PolarHBondContact O-N 3.4Å; L56-L58 PolarHBondContact O-N 3.34Å; L56-C59 PolarHBondContact O-N 2.81Å; L56-L60 WeakPolarHBondContact O-CB 3.47Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.23Å; L56-L60 PolarHBondContact O-N 2.77Å |
| 57 | S | 56.8 | Low | 50.6 | Low | 63 Ų | 63 | 92.9 Ų | 92.9 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.5 | -175 | 0 | 0 | 0 | 0 | 112 | Q53 R54 L60 M61 | Q53-S57 PolarHBondContact O-N 2.69Å; R54-S57 PolarHBondContact O-N 3.33Å; S57-L60 PolarHBondContact O-N 2.81Å; S57-M61 WeakPolarHBondContact O-CB 3.46Å; S57-M61 PolarHBondContact O-N 3.17Å |
| 58 | L | 53.2 | Low | 50.6 | Low | 104 Ų | 104 | 98 Ų | 98 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 174 | -84.8 | 158.6 | 0 | 0 | 0 | 112.3 | R54 S55 L56 L60 M61 L62 | R54-L58 WeakPolarHBondContact O-CB 3.33Å; R54-L58 PolarHBondContact O-N 3.38Å; S55-L58 PolarHBondContact O-N 3.23Å; L56-L58 PolarHBondContact O-N 3.34Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 3.11Å; L58-M61 PolarHBondContact O-N 2.77Å; L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.06Å; L58-L62 WeakPolarHBondContact O-CD1 3.33Å; L58-L62 WeakPolarHBondContact O-CG 3.05Å; L58-L62 PolarHBondContact O-N 3.03Å |
| 59 | C | 53.5 | Low | 50.5 | Low | 37 Ų | 37 | 95.7 Ų | 95.7 | 25% | 0.25 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 178.6 | -162.2 | 0 | 0 | 0 | 0 | 111.3 | S55 L56 R63 | S55-C59 VanDerWaalsContact O-CB 3.27Å; S55-C59 WeakPolarHBondContact O-CB 2.9Å; S55-C59 PolarHBondContact O-N 3.42Å; L56-C59 PolarHBondContact O-N 2.81Å; C59-R63 VanDerWaalsContact O-CB 3.24Å; C59-R63 WeakPolarHBondContact O-CB 3.5Å; C59-R63 VanDerWaalsContact O-CG 3.22Å; C59-R63 WeakPolarHBondContact O-CG 3.24Å; C59-R63 PolarHBondContact O-N 3.18Å |
| 60 | L | 54 | Low | 50.4 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 174.2 | -70.8 | 170.5 | 0 | 0 | 0 | 111.7 | L56 S57 L58 L62 R63 F64 | L56-L60 WeakPolarHBondContact O-CB 3.47Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.23Å; L56-L60 PolarHBondContact O-N 2.77Å; S57-L60 PolarHBondContact O-N 2.81Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 3.11Å; L60-L62 VanDerWaalsContact C-N 3.35Å; L60-L62 PolarHBondContact O-N 2.66Å; L60-R63 PolarHBondContact O-N 3.15Å; L60-F64 HydrophobicContact CD2-CD2 4.07Å; L60-F64 HydrophobicContact CD2-CE2 3.95Å; L60-F64 WeakPolarHBondContact O-CB 3.34Å; L60-F64 WeakPolarHBondContact O-CD2 2.97Å; L60-F64 PolarHBondContact O-N 2.94Å |
| 61 | M | 51.5 | Low | 50.2 | Low | 123 Ų | 123 | 99 Ų | 99 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 174.2 | -82 | -168.5 | 178.3 | 0 | 0 | 112.8 | S57 L58 G65 | S57-M61 WeakPolarHBondContact O-CB 3.46Å; S57-M61 PolarHBondContact O-N 3.17Å; L58-M61 PolarHBondContact O-N 2.77Å; M61-G65 CarbonylContact O-C 3.37Å; M61-G65 WeakPolarHBondContact O-CA 3.1Å; M61-G65 PolarHBondContact O-N 3.28Å |
| 62 | L | 54.3 | Low | 50 | Low | 145 Ų | 145 | 98.8 Ų | 98.8 | 76% | 0.759 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.9 | -31.7 | 179.2 | -71.8 | 168.3 | 0 | 0 | 0 | 112.5 | L58 L60 | L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.06Å; L58-L62 WeakPolarHBondContact O-CD1 3.33Å; L58-L62 WeakPolarHBondContact O-CG 3.05Å; L58-L62 PolarHBondContact O-N 3.03Å; L60-L62 VanDerWaalsContact C-N 3.35Å; L60-L62 PolarHBondContact O-N 2.66Å |
| 63 | R | 54.4 | Low | 50 | Low | 115 Ų | 115 | 101.2 Ų | 101.2 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -82.1 | -35.5 | 178.4 | -77 | -69 | -176.7 | 74.1 | 25.6 | 114 | C59 L60 | C59-R63 VanDerWaalsContact O-CB 3.24Å; C59-R63 WeakPolarHBondContact O-CB 3.5Å; C59-R63 VanDerWaalsContact O-CG 3.22Å; C59-R63 WeakPolarHBondContact O-CG 3.24Å; C59-R63 PolarHBondContact O-N 3.18Å; L60-R63 PolarHBondContact O-N 3.15Å |
| 64 | F | 53.9 | Low | 50.1 | Low | 114 Ų | 114 | 98.4 Ų | 98.4 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -109.2 | 0.9 | -173.3 | -67.2 | -79.8 | 0 | 0 | 0 | 113 | L60 L67 | L60-F64 HydrophobicContact CD2-CD2 4.07Å; L60-F64 HydrophobicContact CD2-CE2 3.95Å; L60-F64 WeakPolarHBondContact O-CB 3.34Å; L60-F64 WeakPolarHBondContact O-CD2 2.97Å; L60-F64 PolarHBondContact O-N 2.94Å; F64-L67 HydrophobicContact CB-CD1 3.85Å |
| 65 | G | 47.5 | Very low | 50.1 | Low | 31 Ų | 31 | 93 Ų | 93 | 32% | 0.32 | 53% | 0.526 | S | S | . | . | trans | 61.7 | 175.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M61 L67 | M61-G65 CarbonylContact O-C 3.37Å; M61-G65 WeakPolarHBondContact O-CA 3.1Å; M61-G65 PolarHBondContact O-N 3.28Å; G65-L67 VanDerWaalsContact C-N 3.3Å; G65-L67 PolarHBondContact O-N 3.4Å | ||
| 66 | P | 49.1 | Very low | 50.1 | Low | 114 Ų | 114 | 96.2 Ų | 96.2 | 74% | 0.74 | 54% | 0.539 | S | S | * | . | trans | -60.1 | 104.7 | 156.6 | 27.5 | -29.2 | 0 | 0 | 0 | 105.8 | E68 | P66-E68 HydrophobicContact CB-CG 4.41Å; P66-E68 PolarHBondContact O-N 3.46Å | ||
| 67 | L | 46.9 | Very low | 49.8 | Very low | 103 Ų | 103 | 95.9 Ų | 95.9 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | trans | -67.3 | 71 | 161.9 | -115.9 | 115.3 | 0 | 0 | 0 | 106.3 | F64 G65 L69 F77 | F64-L67 HydrophobicContact CB-CD1 3.85Å; G65-L67 VanDerWaalsContact C-N 3.3Å; G65-L67 PolarHBondContact O-N 3.4Å; L67-L69 HydrophobicContact CB-CD1 4.34Å; L67-L69 HydrophobicContact CD2-CD1 3.27Å; L67-L69 HydrophobicContact CD2-CG 3.99Å; L67-L69 HydrophobicContact CG-CD1 4.37Å; L67-L69 PolarHBondContact O-N 2.77Å; L67-F77 HydrophobicContact CD2-CE1 4.41Å; L67-F77 HydrophobicContact CD2-CZ 4Å | ||
| 68 | E | 43.5 | Very low | 49.5 | Very low | 154 Ų | 154 | 102 Ų | 102 | 72% | 0.72 | 55% | 0.548 | S | S | * | . | trans | -61.9 | 76.1 | 155 | -85.3 | -91.8 | 139.9 | 0 | 0 | 105.1 | P66 T70 | P66-E68 HydrophobicContact CB-CG 4.41Å; P66-E68 PolarHBondContact O-N 3.46Å; E68-T70 PolarHBondContact O-N 3.39Å; E68-T70 PolarHBondContact O-OG1 2.91Å | ||
| 69 | L | 46.5 | Very low | 49.5 | Very low | 74 Ų | 74 | 99.7 Ų | 99.7 | 39% | 0.387 | 54% | 0.544 | S | S | . | . | trans | -63.1 | 73 | 158.6 | -99.5 | 128.3 | 0 | 0 | 0 | 106 | L67 L71 I74 F77 | L67-L69 HydrophobicContact CB-CD1 4.34Å; L67-L69 HydrophobicContact CD2-CD1 3.27Å; L67-L69 HydrophobicContact CD2-CG 3.99Å; L67-L69 HydrophobicContact CG-CD1 4.37Å; L67-L69 PolarHBondContact O-N 2.77Å; L69-L71 PolarHBondContact O-N 2.77Å; L69-L71 VanDerWaalsContact O-N 3.11Å; L69-I74 HydrophobicContact CD2-CG1 4.22Å; L69-F77 HydrophobicContact CD1-CE1 4.2Å; L69-F77 HydrophobicContact CD1-CE2 4.49Å; L69-F77 HydrophobicContact CD1-CZ 3.92Å; L69-F77 HydrophobicContact CD2-CD1 3.8Å; L69-F77 HydrophobicContact CD2-CD2 3.35Å; L69-F77 HydrophobicContact CD2-CE1 3.61Å; L69-F77 HydrophobicContact CD2-CE2 3.16Å; L69-F77 HydrophobicContact CD2-CG 3.69Å; L69-F77 HydrophobicContact CD2-CZ 3.31Å; L69-F77 HydrophobicContact CG-CD2 4.22Å; L69-F77 HydrophobicContact CG-CE1 4.04Å; L69-F77 HydrophobicContact CG-CE2 3.51Å; L69-F77 HydrophobicContact CG-CZ 3.41Å; L69-F77 VanDerWaalsContact CG-CZ 3.41Å | ||
| 70 | T | 44 | Very low | 49.3 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | trans | -52.6 | 124.1 | 167 | -39.2 | 0 | 0 | 0 | 0 | 105.3 | E68 S72 T73 | E68-T70 PolarHBondContact O-N 3.39Å; E68-T70 PolarHBondContact O-OG1 2.91Å; T70-S72 PolarHBondContact O-N 3.45Å; T70-T73 PolarHBondContact O-N 2.86Å; T70-T73 PolarHBondContact O-OG1 2.88Å | ||
| 71 | L | 44.9 | Very low | 49.3 | Very low | 149 Ų | 149 | 98.8 Ų | 98.8 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -49.7 | -20.9 | -175.1 | -89.5 | 120.3 | 0 | 0 | 0 | 113.6 | L69 T73 I74 | L69-L71 PolarHBondContact O-N 2.77Å; L69-L71 VanDerWaalsContact O-N 3.11Å; L71-T73 VanDerWaalsContact C-N 3.28Å; L71-T73 PolarHBondContact O-N 2.77Å; L71-I74 HydrophobicContact CB-CD1 4.07Å; L71-I74 HydrophobicContact CD2-CD1 3.72Å; L71-I74 HydrophobicContact CG-CD1 3.63Å; L71-I74 WeakPolarHBondContact O-CB 3.44Å; L71-I74 PolarHBondContact O-N 2.95Å |
| 72 | S | 44.6 | Very low | 49.5 | Very low | 111 Ų | 111 | 101.4 Ų | 101.4 | 78% | 0.776 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -58.2 | -31.9 | 170.3 | -165.8 | 0 | 0 | 0 | 0 | 114.5 | T70 | T70-S72 PolarHBondContact O-N 3.45Š|
| 73 | T | 47.2 | Very low | 49.5 | Very low | 59 Ų | 59 | 102.2 Ų | 102.2 | 36% | 0.362 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -80.8 | -17.1 | 178.3 | -35.9 | 0 | 0 | 0 | 0 | 112 | T70 L71 G75 N76 F77 | T70-T73 PolarHBondContact O-N 2.86Å; T70-T73 PolarHBondContact O-OG1 2.88Å; L71-T73 VanDerWaalsContact C-N 3.28Å; L71-T73 PolarHBondContact O-N 2.77Å; T73-G75 PolarHBondContact O-N 2.92Å; T73-G75 VanDerWaalsContact O-N 3.15Å; T73-N76 CarbonylContact O-C 3.59Å; T73-N76 WeakPolarHBondContact O-CA 3.15Å; T73-N76 PolarHBondContact O-N 3.3Å; T73-F77 HydrophobicContact CG2-CD2 3.57Å; T73-F77 HydrophobicContact CG2-CE2 3.51Å; T73-F77 WeakPolarHBondContact O-CD2 3.31Å; T73-F77 PolarHBondContact O-N 3.41Å |
| 74 | I | 50.2 | Low | 49.6 | Very low | 83 Ų | 83 | 101.6 Ų | 101.6 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -30.4 | -172.4 | -65.5 | 177.6 | 0 | 0 | 0 | 112.1 | L69 L71 F77 | L69-I74 HydrophobicContact CD2-CG1 4.22Å; L71-I74 HydrophobicContact CB-CD1 4.07Å; L71-I74 HydrophobicContact CD2-CD1 3.72Å; L71-I74 HydrophobicContact CG-CD1 3.63Å; L71-I74 WeakPolarHBondContact O-CB 3.44Å; L71-I74 PolarHBondContact O-N 2.95Å; I74-F77 PolarHBondContact O-N 2.72Å |
| 75 | G | 48.9 | Very low | 50 | Low | 68 Ų | 68 | 101.1 Ų | 101.1 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.9 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T73 | T73-G75 PolarHBondContact O-N 2.92Å; T73-G75 VanDerWaalsContact O-N 3.15Å |
| 76 | N | 52.4 | Low | 50.5 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -85.1 | -19 | 174.6 | -94.3 | -15 | 0 | 0 | 0 | 113 | T73 R78 A79 M80 | T73-N76 CarbonylContact O-C 3.59Å; T73-N76 WeakPolarHBondContact O-CA 3.15Å; T73-N76 PolarHBondContact O-N 3.3Å; N76-R78 PolarHBondContact O-N 2.71Å; N76-A79 PolarHBondContact O-N 2.89Å; N76-A79 VanDerWaalsContact O-N 3.08Å; N76-M80 PolarHBondContact O-N 3.48Å |
| 77 | F | 49.5 | Very low | 51.1 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 30% | 0.303 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -27.9 | 175.7 | -102.6 | -89.8 | 0 | 0 | 0 | 112.2 | L67 L69 T73 I74 A79 A81 | L67-F77 HydrophobicContact CD2-CE1 4.41Å; L67-F77 HydrophobicContact CD2-CZ 4Å; L69-F77 HydrophobicContact CD1-CE1 4.2Å; L69-F77 HydrophobicContact CD1-CE2 4.49Å; L69-F77 HydrophobicContact CD1-CZ 3.92Å; L69-F77 HydrophobicContact CD2-CD1 3.8Å; L69-F77 HydrophobicContact CD2-CD2 3.35Å; L69-F77 HydrophobicContact CD2-CE1 3.61Å; L69-F77 HydrophobicContact CD2-CE2 3.16Å; L69-F77 HydrophobicContact CD2-CG 3.69Å; L69-F77 HydrophobicContact CD2-CZ 3.31Å; L69-F77 HydrophobicContact CG-CD2 4.22Å; L69-F77 HydrophobicContact CG-CE1 4.04Å; L69-F77 HydrophobicContact CG-CE2 3.51Å; L69-F77 HydrophobicContact CG-CZ 3.41Å; L69-F77 VanDerWaalsContact CG-CZ 3.41Å; T73-F77 HydrophobicContact CG2-CD2 3.57Å; T73-F77 HydrophobicContact CG2-CE2 3.51Å; T73-F77 WeakPolarHBondContact O-CD2 3.31Å; T73-F77 PolarHBondContact O-N 3.41Å; I74-F77 PolarHBondContact O-N 2.72Å; F77-A79 VanDerWaalsContact C-N 3.26Å; F77-A79 PolarHBondContact O-N 3.42Å; F77-A81 WeakPolarHBondContact O-CA 3.36Å; F77-A81 WeakPolarHBondContact O-CB 3.27Å; F77-A81 PolarHBondContact O-N 3.49Å |
| 78 | R | 50.5 | Low | 51.8 | Low | 191 Ų | 191 | 100.5 Ų | 100.5 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.1 | -26.3 | 174.8 | -165.6 | 176 | 173 | -160.4 | -0.9 | 112.9 | N76 R82 | N76-R78 PolarHBondContact O-N 2.71Å; R78-R82 PolarHBondContact O-NE 2.76Å |
| 79 | A | 51.9 | Low | 52.5 | Low | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -85.1 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N76 F77 R82 K83 | N76-A79 PolarHBondContact O-N 2.89Å; N76-A79 VanDerWaalsContact O-N 3.08Å; F77-A79 VanDerWaalsContact C-N 3.26Å; F77-A79 PolarHBondContact O-N 3.42Å; A79-R82 PolarHBondContact O-N 3.26Å; A79-K83 PolarHBondContact O-N 2.83Å |
| 80 | M | 49.7 | Very low | 53 | Low | 88 Ų | 88 | 96.7 Ų | 96.7 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.3 | -77 | -62 | -158.3 | 0 | 0 | 112.1 | N76 R82 K83 Y84 | N76-M80 PolarHBondContact O-N 3.48Å; M80-R82 VanDerWaalsContact C-N 3.25Å; M80-R82 PolarHBondContact O-N 3.46Å; M80-K83 CarbonylContact O-C 3.54Å; M80-K83 WeakPolarHBondContact O-CA 3.14Å; M80-K83 WeakPolarHBondContact O-CB 3.34Å; M80-K83 PolarHBondContact O-N 2.85Å; M80-Y84 HydrophobicContact CB-CD2 3.96Å; M80-Y84 HydrophobicContact CB-CE2 4.04Å; M80-Y84 HydrophobicContact CG-CE2 4.24Å; M80-Y84 WeakPolarHBondContact O-CB 3.16Å; M80-Y84 WeakPolarHBondContact O-CD2 3.39Å; M80-Y84 PolarHBondContact O-N 2.92Å; M80-Y84 HydrophobicContact SD-CD2 4.23Å; M80-Y84 HydrophobicContact SD-CE2 3.44Å; M80-Y84 WeakPolarHBondContact SD-CE2 3.12Å |
| 81 | A | 54.4 | Low | 53.8 | Low | 33 Ų | 33 | 96 Ų | 96 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F77 K83 Y84 I85 | F77-A81 WeakPolarHBondContact O-CA 3.36Å; F77-A81 WeakPolarHBondContact O-CB 3.27Å; F77-A81 PolarHBondContact O-N 3.49Å; A81-K83 VanDerWaalsContact C-N 3.35Å; A81-K83 PolarHBondContact O-N 3.36Å; A81-Y84 CarbonylContact O-C 3.49Å; A81-Y84 PolarHBondContact O-N 3.28Å; A81-I85 HydrophobicContact CB-CD1 4.47Å; A81-I85 WeakPolarHBondContact O-CA 3.46Å; A81-I85 WeakPolarHBondContact O-CB 3.5Å; A81-I85 VanDerWaalsContact O-CD1 3.24Å; A81-I85 WeakPolarHBondContact O-CD1 3.41Å; A81-I85 WeakPolarHBondContact O-CG1 3.25Å; A81-I85 PolarHBondContact O-N 3.02Å |
| 82 | R | 54.4 | Low | 54.5 | Low | 177 Ų | 177 | 91.5 Ų | 91.5 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -37.1 | 173.3 | -76.5 | -172.8 | -84.7 | -173.6 | -0.3 | 112.7 | R78 A79 M80 | R78-R82 PolarHBondContact O-NE 2.76Å; A79-R82 PolarHBondContact O-N 3.26Å; M80-R82 VanDerWaalsContact C-N 3.25Å; M80-R82 PolarHBondContact O-N 3.46Å |
| 83 | K | 54.9 | Low | 55 | Low | 162 Ų | 162 | 93.1 Ų | 93.1 | 70% | 0.704 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.6 | -33.5 | 176.8 | -159.5 | 174.6 | -176.8 | 179.8 | 0 | 112.4 | A79 M80 A81 | A79-K83 PolarHBondContact O-N 2.83Å; M80-K83 CarbonylContact O-C 3.54Å; M80-K83 WeakPolarHBondContact O-CA 3.14Å; M80-K83 WeakPolarHBondContact O-CB 3.34Å; M80-K83 PolarHBondContact O-N 2.85Å; A81-K83 VanDerWaalsContact C-N 3.35Å; A81-K83 PolarHBondContact O-N 3.36Å |
| 84 | Y | 57 | Low | 55.2 | Low | 103 Ų | 103 | 93.8 Ų | 93.8 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -99.6 | -7.7 | -178.9 | -64 | -65 | 0 | 0 | 0 | 113.8 | M80 A81 G86 L87 I88 | M80-Y84 HydrophobicContact CB-CD2 3.96Å; M80-Y84 HydrophobicContact CB-CE2 4.04Å; M80-Y84 HydrophobicContact CG-CE2 4.24Å; M80-Y84 WeakPolarHBondContact O-CB 3.16Å; M80-Y84 WeakPolarHBondContact O-CD2 3.39Å; M80-Y84 PolarHBondContact O-N 2.92Å; M80-Y84 HydrophobicContact SD-CD2 4.23Å; M80-Y84 HydrophobicContact SD-CE2 3.44Å; M80-Y84 WeakPolarHBondContact SD-CE2 3.12Å; A81-Y84 CarbonylContact O-C 3.49Å; A81-Y84 PolarHBondContact O-N 3.28Å; Y84-G86 VanDerWaalsContact C-N 3.25Å; Y84-G86 PolarHBondContact O-N 3.07Å; Y84-L87 HydrophobicContact CD1-CB 4.29Å; Y84-L87 HydrophobicContact CD1-CD2 3.69Å; Y84-L87 HydrophobicContact CE1-CD2 4.15Å; Y84-L87 CarbonylContact O-C 3.53Å; Y84-L87 PolarHBondContact O-N 3.36Å; Y84-I88 VanDerWaalsContact O-CB 3.27Å; Y84-I88 WeakPolarHBondContact O-CB 3.24Å; Y84-I88 WeakPolarHBondContact O-CD1 3.22Å; Y84-I88 WeakPolarHBondContact O-CG1 3.37Å; Y84-I88 PolarHBondContact O-N 3.49Å |
| 85 | I | 61.4 | Low | 55.2 | Low | 103 Ų | 103 | 95.8 Ų | 95.8 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 175 | -92.1 | 157.1 | 0 | 0 | 0 | 109 | A81 A89 | A81-I85 HydrophobicContact CB-CD1 4.47Å; A81-I85 WeakPolarHBondContact O-CA 3.46Å; A81-I85 WeakPolarHBondContact O-CB 3.5Å; A81-I85 VanDerWaalsContact O-CD1 3.24Å; A81-I85 WeakPolarHBondContact O-CD1 3.41Å; A81-I85 WeakPolarHBondContact O-CG1 3.25Å; A81-I85 PolarHBondContact O-N 3.02Å; I85-A89 WeakPolarHBondContact O-CA 3.27Å; I85-A89 WeakPolarHBondContact O-CB 3.11Å; I85-A89 PolarHBondContact O-N 3.32Å |
| 86 | G | 58.5 | Low | 55.1 | Low | 48 Ų | 48 | 96.2 Ų | 96.2 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y84 L90 | Y84-G86 VanDerWaalsContact C-N 3.25Å; Y84-G86 PolarHBondContact O-N 3.07Å; G86-L90 WeakPolarHBondContact O-CB 3.27Å; G86-L90 PolarHBondContact O-N 3.08Å |
| 87 | L | 61.4 | Low | 54.6 | Low | 83 Ų | 83 | 95.6 Ų | 95.6 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 178.2 | -169.8 | 73 | 0 | 0 | 0 | 112.2 | Y84 L90 I91 | Y84-L87 HydrophobicContact CD1-CB 4.29Å; Y84-L87 HydrophobicContact CD1-CD2 3.69Å; Y84-L87 HydrophobicContact CE1-CD2 4.15Å; Y84-L87 CarbonylContact O-C 3.53Å; Y84-L87 PolarHBondContact O-N 3.36Å; L87-L90 PolarHBondContact O-N 3.04Å; L87-I91 HydrophobicContact CD2-CD1 4.48Å; L87-I91 HydrophobicContact CG-CD1 3.97Å; L87-I91 WeakPolarHBondContact O-CB 3.21Å; L87-I91 WeakPolarHBondContact O-CD1 3.47Å; L87-I91 WeakPolarHBondContact O-CG1 3.13Å; L87-I91 PolarHBondContact O-N 2.87Å |
| 88 | I | 61.6 | Low | 54.1 | Low | 104 Ų | 104 | 97.1 Ų | 97.1 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 177.6 | -67 | 163.5 | 0 | 0 | 0 | 109.3 | Y84 I91 A92 | Y84-I88 VanDerWaalsContact O-CB 3.27Å; Y84-I88 WeakPolarHBondContact O-CB 3.24Å; Y84-I88 WeakPolarHBondContact O-CD1 3.22Å; Y84-I88 WeakPolarHBondContact O-CG1 3.37Å; Y84-I88 PolarHBondContact O-N 3.49Å; I88-I91 PolarHBondContact O-N 3.33Å; I88-A92 WeakPolarHBondContact O-CB 3.5Å; I88-A92 PolarHBondContact O-N 2.88Å |
| 89 | A | 58.7 | Low | 53.6 | Low | 40 Ų | 40 | 93.3 Ų | 93.3 | 33% | 0.331 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | I85 I91 A92 H93 | I85-A89 WeakPolarHBondContact O-CA 3.27Å; I85-A89 WeakPolarHBondContact O-CB 3.11Å; I85-A89 PolarHBondContact O-N 3.32Å; A89-I91 PolarHBondContact O-N 3.08Å; A89-A92 CarbonylContact O-C 3.53Å; A89-A92 PolarHBondContact O-N 3.45Å; A89-H93 VanDerWaalsContact O-CB 3.23Å; A89-H93 WeakPolarHBondContact O-CB 3.45Å; A89-H93 PolarHBondContact O-CD2 3.17Å; A89-H93 PolarHBondContact O-N 2.93Å |
| 90 | L | 57.3 | Low | 52.8 | Low | 108 Ų | 108 | 95.4 Ų | 95.4 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 176 | -171.7 | 73.5 | 0 | 0 | 0 | 111.2 | G86 L87 H93 T94 | G86-L90 WeakPolarHBondContact O-CB 3.27Å; G86-L90 PolarHBondContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 3.04Å; L90-H93 CarbonylContact O-C 3.54Å; L90-H93 PolarHBondContact O-N 3.41Å; L90-T94 WeakPolarHBondContact O-CB 3.41Å; L90-T94 PolarHBondContact O-N 3.38Å; L90-T94 PolarHBondContact O-OG1 3.27Å |
| 91 | I | 60 | Low | 52.1 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 33% | 0.333 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.7 | -43.5 | 174.5 | -67.5 | 164.2 | 0 | 0 | 0 | 110.2 | L87 I88 A89 H93 T94 L95 | L87-I91 HydrophobicContact CD2-CD1 4.48Å; L87-I91 HydrophobicContact CG-CD1 3.97Å; L87-I91 WeakPolarHBondContact O-CB 3.21Å; L87-I91 WeakPolarHBondContact O-CD1 3.47Å; L87-I91 WeakPolarHBondContact O-CG1 3.13Å; L87-I91 PolarHBondContact O-N 2.87Å; I88-I91 PolarHBondContact O-N 3.33Å; A89-I91 PolarHBondContact O-N 3.08Å; I91-H93 VanDerWaalsContact C-N 3.3Å; I91-H93 PolarHBondContact O-N 3.27Å; I91-T94 VanDerWaalsContact CA-OG1 3.31Å; I91-T94 WeakPolarHBondContact CA-OG1 3.27Å; I91-T94 PolarHBondContact O-N 3.48Å; I91-T94 PolarHBondContact O-OG1 2.83Å; I91-L95 HydrophobicContact CG2-CD1 4.14Å; I91-L95 WeakPolarHBondContact O-CD1 3.17Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.37Å |
| 92 | A | 59.3 | Low | 52 | Low | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.6 | -28.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I88 A89 P96 | I88-A92 WeakPolarHBondContact O-CB 3.5Å; I88-A92 PolarHBondContact O-N 2.88Å; A89-A92 CarbonylContact O-C 3.53Å; A89-A92 PolarHBondContact O-N 3.45Å; A92-P96 VanDerWaalsContact O-CD 3.25Å; A92-P96 WeakPolarHBondContact O-CD 3.36Å; A92-P96 WeakPolarHBondContact O-CG 3.44Å |
| 93 | H | 55.8 | Low | 51.8 | Low | 144 Ų | 144 | 97.4 Ų | 97.4 | 67% | 0.667 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -90.7 | -12.4 | 175.5 | -85.9 | -84.9 | 0 | 0 | 0 | 113.8 | A89 L90 I91 P96 | A89-H93 VanDerWaalsContact O-CB 3.23Å; A89-H93 WeakPolarHBondContact O-CB 3.45Å; A89-H93 PolarHBondContact O-CD2 3.17Å; A89-H93 PolarHBondContact O-N 2.93Å; L90-H93 CarbonylContact O-C 3.54Å; L90-H93 PolarHBondContact O-N 3.41Å; I91-H93 VanDerWaalsContact C-N 3.3Å; I91-H93 PolarHBondContact O-N 3.27Å; H93-P96 WeakPolarHBondContact O-CD 3.45Å |
| 94 | T | 50.7 | Low | 51.7 | Low | 73 Ų | 73 | 93.8 Ų | 93.8 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -93.5 | -18.3 | 169.7 | 35.1 | 0 | 0 | 0 | 0 | 112.7 | L90 I91 P96 T97 | L90-T94 WeakPolarHBondContact O-CB 3.41Å; L90-T94 PolarHBondContact O-N 3.38Å; L90-T94 PolarHBondContact O-OG1 3.27Å; I91-T94 VanDerWaalsContact CA-OG1 3.31Å; I91-T94 WeakPolarHBondContact CA-OG1 3.27Å; I91-T94 PolarHBondContact O-N 3.48Å; I91-T94 PolarHBondContact O-OG1 2.83Å; T94-P96 VanDerWaalsContact C-CD 3.41Å; T94-T97 WeakPolarHBondContact CA-OG1 3.48Å; T94-T97 PolarHBondContact O-OG1 3.27Å |
| 95 | L | 50.1 | Low | 51.4 | Low | 126 Ų | 126 | 93.3 Ų | 93.3 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -65.6 | -26.6 | 169.5 | -76 | 163.9 | 0 | 0 | 0 | 115.7 | I91 | I91-L95 HydrophobicContact CG2-CD1 4.14Å; I91-L95 WeakPolarHBondContact O-CD1 3.17Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.37Å |
| 96 | P | 46.7 | Very low | 50.7 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 49% | 0.494 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -90.8 | -11.3 | 176.3 | 4.6 | 16.1 | 0 | 0 | 0 | 113.9 | A92 H93 T94 C98 | A92-P96 VanDerWaalsContact O-CD 3.25Å; A92-P96 WeakPolarHBondContact O-CD 3.36Å; A92-P96 WeakPolarHBondContact O-CG 3.44Å; H93-P96 WeakPolarHBondContact O-CD 3.45Å; T94-P96 VanDerWaalsContact C-CD 3.41Å; P96-C98 VanDerWaalsContact C-N 3.26Å; P96-C98 PolarHBondContact O-N 2.78Å |
| 97 | T | 42.6 | Very low | 50.2 | Low | 103 Ų | 103 | 95.7 Ų | 95.7 | 63% | 0.632 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -2.2 | 178.9 | 36.4 | 0 | 0 | 0 | 0 | 114.1 | T94 V99 | T94-T97 WeakPolarHBondContact CA-OG1 3.48Å; T94-T97 PolarHBondContact O-OG1 3.27Å; T97-V99 VanDerWaalsContact C-N 3.34Å |
| 98 | C | 38.4 | Very low | 49.4 | Very low | 101 Ų | 101 | 96.6 Ų | 96.6 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 10.7 | 172 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | P96 | P96-C98 VanDerWaalsContact C-N 3.26Å; P96-C98 PolarHBondContact O-N 2.78Å |
| 99 | V | 41.7 | Very low | 48.5 | Very low | 111 Ų | 111 | 96 Ų | 96 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -110.2 | 7.7 | -176.1 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | I44 T97 | I44-V99 HydrophobicContact CD1-CG2 4.46Å; T97-V99 VanDerWaalsContact C-N 3.34Å |
| 100 | A | 34.6 | Very low | 47.6 | Very low | 100 Ų | 100 | 100.7 Ų | 100.7 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | trans | -126.9 | 24.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 101 | G | 34.2 | Very low | 46.7 | Very low | 146 Ų | 146 | 100 Ų | 100 | 100% | 1.505 | 67% | 0.67 | S | S | * | * | trans | -121.7 | 0 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 101 of 101 residues in 33.7 ms
(Link to these results)