| 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 | 52.7 | Low | 50.4 | Low | 198 Ų | 198 | 124.5 Ų | 124.5 | 98% | 0.975 | 86% | 0.858 | S | S | * | * | 0 | 132.9 | 0 | -65 | -59.9 | 175.3 | 0 | 0 | 106.6 | R3 | M1-R3 HydrophobicContact SD-CG 3.9Š| |||
| 2 | P | 59.6 | Low | 50.2 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 88% | 0.877 | 86% | 0.856 | S | S | * | * | cis | -116.4 | 158.2 | 48.4 | 34.7 | -23.5 | 0 | 0 | 0 | 115.2 | ||||
| 3 | R | 53.1 | Low | 50.2 | Low | 216 Ų | 216 | 136.4 Ų | 136.4 | 82% | 0.815 | 86% | 0.861 | S | S | * | * | trans | -85.6 | 136.6 | 177.8 | -67.3 | 173.6 | 170.2 | -167 | -4.4 | 109.4 | M1 | M1-R3 HydrophobicContact SD-CG 3.9Š| ||
| 4 | G | 53.7 | Low | 50.2 | Low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | trans | -127.4 | 92.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | R | 51.8 | Low | 49.7 | Very low | 257 Ų | 257 | 135.6 Ų | 135.6 | 97% | 0.97 | 85% | 0.85 | S | S | * | * | trans | -96.2 | 108.6 | 175.1 | -164.3 | 179.5 | -164.9 | -104.7 | 4.6 | 106.6 | ||||
| 6 | G | 49.5 | Very low | 49.3 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | -132.2 | 93.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | G | 49.5 | Very low | 49.4 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -85.4 | 150.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | G | 44.6 | Very low | 49.3 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | trans | 164.3 | 101.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 9 | G | 45.5 | Very low | 49.6 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 86.3 | 79.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | G11 | G9-G11 VanDerWaalsContact C-N 3.28Å; G9-G11 PolarHBondContact O-N 3.13Å | ||
| 10 | G | 48.7 | Very low | 50.4 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -63.8 | 89.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L12 | G10-L12 PolarHBondContact O-N 2.85Š| ||
| 11 | G | 46 | Very low | 51 | Low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -83.2 | 96.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G9 R13 | G9-G11 VanDerWaalsContact C-N 3.28Å; G9-G11 PolarHBondContact O-N 3.13Å; G11-R13 PolarHBondContact O-N 3.21Å | ||
| 12 | L | 48.2 | Very low | 51.4 | Low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -58.2 | 95 | 159.3 | -87.8 | 107.9 | 0 | 0 | 0 | 107.1 | G10 Q14 | G10-L12 PolarHBondContact O-N 2.85Å; L12-Q14 PolarHBondContact O-N 2.83Å | ||
| 13 | R | 49.8 | Very low | 52 | Low | 245 Ų | 245 | 121.1 Ų | 121.1 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -62.4 | 93.9 | 147.7 | -100.7 | -175.1 | 172 | -100.9 | 1.3 | 104.7 | G11 A15 | G11-R13 PolarHBondContact O-N 3.21Å; R13-A15 PolarHBondContact O-N 2.87Å | ||
| 14 | Q | 49.6 | Very low | 53.4 | Low | 169 Ų | 169 | 113.8 Ų | 113.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -53.9 | 95.7 | 153.1 | -87.7 | 177.9 | -6 | 0 | 0 | 105.5 | L12 S16 | L12-Q14 PolarHBondContact O-N 2.83Å; Q14-S16 PolarHBondContact O-N 3.29Å | ||
| 15 | A | 43 | Very low | 54.9 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -56.2 | 106.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 103.6 | R13 A17 | R13-A15 PolarHBondContact O-N 2.87Å; A15-A17 PolarHBondContact O-N 3.45Å | ||
| 16 | S | 43.8 | Very low | 56.7 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -47.4 | 113 | 165.4 | -78.4 | 0 | 0 | 0 | 0 | 105.1 | Q14 T18 | Q14-S16 PolarHBondContact O-N 3.29Å; S16-T18 VanDerWaalsContact C-N 3.34Å; S16-T18 PolarHBondContact O-N 2.98Å | ||
| 17 | A | 50.2 | Low | 58.7 | Low | 88 Ų | 88 | 106.6 Ų | 106.6 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -53.3 | 111.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | A15 S19 | A15-A17 PolarHBondContact O-N 3.45Å; A17-S19 PolarHBondContact O-N 3.4Å | ||
| 18 | T | 48.8 | Very low | 60.7 | Low | 138 Ų | 138 | 110 Ų | 110 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | trans | -60.8 | 88.6 | 166.7 | -53.7 | 0 | 0 | 0 | 0 | 104.6 | S16 A20 | S16-T18 VanDerWaalsContact C-N 3.34Å; S16-T18 PolarHBondContact O-N 2.98Å; T18-A20 PolarHBondContact O-N 3.32Å | ||
| 19 | S | 54.9 | Low | 63 | Low | 97 Ų | 97 | 112 Ų | 112 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 126.6 | 170.5 | 42 | 0 | 0 | 0 | 0 | 105.3 | A17 | A17-S19 PolarHBondContact O-N 3.4Š|
| 20 | A | 64.8 | Low | 65.4 | Low | 81 Ų | 81 | 114.4 Ų | 114.4 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 128.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | T18 L22 | T18-A20 PolarHBondContact O-N 3.32Å; A20-L22 PolarHBondContact O-N 3.44Å |
| 21 | P | 63.3 | Low | 67.6 | Low | 123 Ų | 123 | 112.4 Ų | 112.4 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.1 | -178.2 | 18.7 | -28.6 | 0 | 0 | 0 | 107.9 | A23 | P21-A23 PolarHBondContact O-N 2.77Š|
| 22 | L | 61.8 | Low | 70 | Confident | 171 Ų | 171 | 110.4 Ų | 110.4 | 90% | 0.895 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -52 | 117.3 | 176 | -71.9 | 171.6 | 0 | 0 | 0 | 107.1 | A20 S24 | A20-L22 PolarHBondContact O-N 3.44Å; L22-S24 PolarHBondContact O-N 3.33Å; L22-S24 VanDerWaalsContact O-N 3.11Å |
| 23 | A | 71.7 | Confident | 72.3 | Confident | 42 Ų | 42 | 108.5 Ų | 108.5 | 35% | 0.347 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 121.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P21 Y27 Y28 | P21-A23 PolarHBondContact O-N 2.77Å; A23-Y27 HydrophobicContact CB-CD1 3.7Å; A23-Y27 HydrophobicContact CB-CE1 4.3Å; A23-Y27 HydrophobicContact CB-CG 4.14Å; A23-Y28 HydrophobicContact CB-CD2 4.41Å; A23-Y28 HydrophobicContact CB-CE2 3.62Å |
| 24 | S | 82.7 | Confident | 74.6 | Confident | 61 Ų | 61 | 102.8 Ų | 102.8 | 43% | 0.427 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 140.5 | 177.9 | 169 | 0 | 0 | 0 | 0 | 110 | L22 S26 Y27 | L22-S24 PolarHBondContact O-N 3.33Å; L22-S24 VanDerWaalsContact O-N 3.11Å; S24-S26 PolarHBondContact O-N 3.43Å; S24-S26 PolarHBondContact OG-N 3.28Å; S24-S26 PolarHBondContact OG-OG 3.38Å; S24-Y27 WeakPolarHBondContact O-CA 3.39Å; S24-Y27 WeakPolarHBondContact O-CB 3.46Å; S24-Y27 PolarHBondContact O-N 2.75Å |
| 25 | P | 85.5 | Confident | 76.9 | Confident | 113 Ų | 113 | 99.7 Ų | 99.7 | 73% | 0.734 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -49.2 | -33.2 | 175 | -30.4 | 36.3 | 0 | 0 | 0 | 113.9 | Y27 Y28 E29 | P25-Y27 PolarHBondContact O-N 3Å; P25-Y28 PolarHBondContact O-N 3.19Å; P25-E29 PolarHBondContact O-N 3.05Å |
| 26 | S | 88.8 | Confident | 79.5 | Confident | 42 Ų | 42 | 99.2 Ų | 99.2 | 29% | 0.294 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -22.3 | 174.7 | 73 | 0 | 0 | 0 | 0 | 114.6 | S24 R30 | S24-S26 PolarHBondContact O-N 3.43Å; S24-S26 PolarHBondContact OG-N 3.28Å; S24-S26 PolarHBondContact OG-OG 3.38Å; S26-R30 WeakPolarHBondContact O-CG 3.45Å; S26-R30 PolarHBondContact O-N 3.36Å; S26-R30 PolarHBondContact O-NH1 3.25Å; S26-R30 VanDerWaalsContact O-NH1 3.16Å; S26-R30 PolarHBondContact OG-NH1 3.08Å; S26-R30 VanDerWaalsContact OG-NH1 3.11Å |
| 27 | Y | 91.4 | Very high | 82.1 | Confident | 115 Ų | 115 | 96.9 Ų | 96.9 | 45% | 0.451 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.5 | -50.9 | 176.9 | 171.2 | -97.3 | 0 | 0 | 0 | 111 | A23 S24 P25 E29 R30 V31 | A23-Y27 HydrophobicContact CB-CD1 3.7Å; A23-Y27 HydrophobicContact CB-CE1 4.3Å; A23-Y27 HydrophobicContact CB-CG 4.14Å; S24-Y27 WeakPolarHBondContact O-CA 3.39Å; S24-Y27 WeakPolarHBondContact O-CB 3.46Å; S24-Y27 PolarHBondContact O-N 2.75Å; P25-Y27 PolarHBondContact O-N 3Å; Y27-E29 VanDerWaalsContact C-N 3.31Å; Y27-E29 PolarHBondContact O-N 3.36Å; Y27-R30 PolarHBondContact O-N 3.47Å; Y27-V31 HydrophobicContact CD1-CG2 4.38Å; Y27-V31 HydrophobicContact CE1-CG2 4Å; Y27-V31 HydrophobicContact CE2-CG2 4.27Å; Y27-V31 WeakPolarHBondContact O-CG2 3.43Å; Y27-V31 PolarHBondContact O-N 3.02Å |
| 28 | Y | 91.2 | Very high | 84.4 | Confident | 153 Ų | 153 | 98.3 Ų | 98.3 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.2 | -32.1 | -178.5 | -68.6 | -74.6 | 0 | 0 | 0 | 112.3 | A23 P25 V31 G32 | A23-Y28 HydrophobicContact CB-CD2 4.41Å; A23-Y28 HydrophobicContact CB-CE2 3.62Å; P25-Y28 PolarHBondContact O-N 3.19Å; Y28-V31 PolarHBondContact O-N 3.49Å; Y28-G32 PolarHBondContact O-N 3.43Å |
| 29 | E | 94.1 | Very high | 86.7 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -48.1 | 172.1 | -172.1 | 178.6 | -174.8 | 0 | 0 | 111.7 | P25 Y27 V31 G32 Q33 | P25-E29 PolarHBondContact O-N 3.05Å; Y27-E29 VanDerWaalsContact C-N 3.31Å; Y27-E29 PolarHBondContact O-N 3.36Å; E29-V31 VanDerWaalsContact C-N 3.32Å; E29-V31 PolarHBondContact O-N 3.41Å; E29-G32 PolarHBondContact O-N 3.12Å; E29-Q33 WeakPolarHBondContact O-CG 3.38Å; E29-Q33 PolarHBondContact O-N 3.19Å |
| 30 | R | 95.2 | Very high | 88.8 | Confident | 129 Ų | 129 | 97.7 Ų | 97.7 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 174.9 | -73.5 | -170.4 | -62 | -85.6 | 3 | 112.2 | S26 Y27 G32 Q33 L34 | S26-R30 WeakPolarHBondContact O-CG 3.45Å; S26-R30 PolarHBondContact O-N 3.36Å; S26-R30 PolarHBondContact O-NH1 3.25Å; S26-R30 VanDerWaalsContact O-NH1 3.16Å; S26-R30 PolarHBondContact OG-NH1 3.08Å; S26-R30 VanDerWaalsContact OG-NH1 3.11Å; Y27-R30 PolarHBondContact O-N 3.47Å; R30-G32 VanDerWaalsContact C-N 3.35Å; R30-Q33 PolarHBondContact O-N 3.41Å; R30-L34 WeakPolarHBondContact O-CG 3.46Å; R30-L34 PolarHBondContact O-N 3.39Å |
| 31 | V | 95.7 | Very high | 90.4 | Very high | 43 Ų | 43 | 96.8 Ų | 96.8 | 26% | 0.261 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 176 | 171.9 | 0 | 0 | 0 | 0 | 111 | Y27 Y28 E29 L34 Q35 | Y27-V31 HydrophobicContact CD1-CG2 4.38Å; Y27-V31 HydrophobicContact CE1-CG2 4Å; Y27-V31 HydrophobicContact CE2-CG2 4.27Å; Y27-V31 WeakPolarHBondContact O-CG2 3.43Å; Y27-V31 PolarHBondContact O-N 3.02Å; Y28-V31 PolarHBondContact O-N 3.49Å; E29-V31 VanDerWaalsContact C-N 3.32Å; E29-V31 PolarHBondContact O-N 3.41Å; V31-L34 PolarHBondContact O-N 3.41Å; V31-Q35 HydrophobicContact CG1-CG 4.45Å; V31-Q35 VanDerWaalsContact O-CG 3.31Å; V31-Q35 WeakPolarHBondContact O-CG 3.45Å; V31-Q35 PolarHBondContact O-N 2.96Å |
| 32 | G | 95.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 94.9 Ų | 94.9 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y28 E29 R30 Q35 Q36 | Y28-G32 PolarHBondContact O-N 3.43Å; E29-G32 PolarHBondContact O-N 3.12Å; R30-G32 VanDerWaalsContact C-N 3.35Å; G32-Q35 PolarHBondContact O-N 3.49Å; G32-Q36 PolarHBondContact O-N 3.46Å |
| 33 | Q | 97 | Very high | 93.8 | Very high | 119 Ų | 119 | 94.1 Ų | 94.1 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 175.2 | -69.9 | 173.3 | 2 | 0 | 0 | 111.7 | E29 R30 Q36 A37 | E29-Q33 WeakPolarHBondContact O-CG 3.38Å; E29-Q33 PolarHBondContact O-N 3.19Å; R30-Q33 PolarHBondContact O-N 3.41Å; Q33-Q36 PolarHBondContact O-N 2.96Å; Q33-A37 WeakPolarHBondContact O-CB 3.34Å; Q33-A37 PolarHBondContact O-N 3.5Å |
| 34 | L | 97.3 | Very high | 95.1 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 176.6 | -75.8 | 168.7 | 0 | 0 | 0 | 112.1 | R30 V31 Q36 A37 L38 | R30-L34 WeakPolarHBondContact O-CG 3.46Å; R30-L34 PolarHBondContact O-N 3.39Å; V31-L34 PolarHBondContact O-N 3.41Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.41Å; L34-A37 PolarHBondContact O-N 3.43Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 2.95Å |
| 35 | Q | 97.7 | Very high | 95.9 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.5 | -75.3 | 176.1 | -7.7 | 0 | 0 | 112.3 | V31 G32 R39 | V31-Q35 HydrophobicContact CG1-CG 4.45Å; V31-Q35 VanDerWaalsContact O-CG 3.31Å; V31-Q35 WeakPolarHBondContact O-CG 3.45Å; V31-Q35 PolarHBondContact O-N 2.96Å; G32-Q35 PolarHBondContact O-N 3.49Å; Q35-R39 WeakPolarHBondContact O-CG 3.43Å; Q35-R39 PolarHBondContact O-N 3.29Å; Q35-R39 VanDerWaalsContact O-N 3.16Å |
| 36 | Q | 98.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 100 Ų | 100 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -48.4 | 175.7 | -176.2 | 56.5 | 46.5 | 0 | 0 | 111.2 | G32 Q33 L34 L38 R39 D40 | G32-Q36 PolarHBondContact O-N 3.46Å; Q33-Q36 PolarHBondContact O-N 2.96Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.41Å; Q36-L38 PolarHBondContact O-N 3.06Å; Q36-R39 WeakPolarHBondContact O-CB 3.42Å; Q36-R39 PolarHBondContact O-N 3.43Å; Q36-R39 VanDerWaalsContact O-N 3.09Å; Q36-D40 PolarHBondContact NE2-OD1 2.94Å; Q36-D40 VanDerWaalsContact NE2-OD1 3.08Å; Q36-D40 PolarHBondContact NE2-OD2 3.34Å; Q36-D40 PolarHBondContact O-N 3.09Å |
| 37 | A | 97.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q33 L34 D40 S41 | Q33-A37 WeakPolarHBondContact O-CB 3.34Å; Q33-A37 PolarHBondContact O-N 3.5Å; L34-A37 PolarHBondContact O-N 3.43Å; A37-D40 PolarHBondContact O-N 2.97Å; A37-S41 WeakPolarHBondContact O-CB 3.42Å; A37-S41 PolarHBondContact O-N 3.2Å; A37-S41 PolarHBondContact O-OG 2.94Å |
| 38 | L | 98.3 | Very high | 97.3 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 175.2 | -175.9 | 65 | 0 | 0 | 0 | 111.3 | L34 Q36 D40 S41 E42 | L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 2.95Å; Q36-L38 PolarHBondContact O-N 3.06Å; L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 2.9Å; L38-S41 WeakPolarHBondContact CA-OG 3.46Å; L38-S41 PolarHBondContact O-N 3.47Å; L38-S41 PolarHBondContact O-OG 2.97Å; L38-E42 WeakPolarHBondContact O-CB 3.37Å; L38-E42 PolarHBondContact O-N 3.2Å |
| 39 | R | 98.2 | Very high | 97.6 | Very high | 136 Ų | 136 | 98.4 Ų | 98.4 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.8 | -73 | -171.4 | -68.4 | -93.6 | 5.6 | 112.2 | Q35 Q36 E42 K43 | Q35-R39 WeakPolarHBondContact O-CG 3.43Å; Q35-R39 PolarHBondContact O-N 3.29Å; Q35-R39 VanDerWaalsContact O-N 3.16Å; Q36-R39 WeakPolarHBondContact O-CB 3.42Å; Q36-R39 PolarHBondContact O-N 3.43Å; Q36-R39 VanDerWaalsContact O-N 3.09Å; R39-E42 PolarHBondContact O-N 3.39Å; R39-K43 PolarHBondContact O-N 3.33Å |
| 40 | D | 98.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 179.8 | -64.5 | -31.7 | 0 | 0 | 0 | 111.6 | Q36 A37 L38 K43 K44 | Q36-D40 PolarHBondContact NE2-OD1 2.94Å; Q36-D40 VanDerWaalsContact NE2-OD1 3.08Å; Q36-D40 PolarHBondContact NE2-OD2 3.34Å; Q36-D40 PolarHBondContact O-N 3.09Å; A37-D40 PolarHBondContact O-N 2.97Å; L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 2.9Å; D40-K43 PolarHBondContact O-N 3.42Å; D40-K44 WeakPolarHBondContact O-CB 3.46Å; D40-K44 PolarHBondContact O-N 3.49Å |
| 41 | S | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.6 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | A37 L38 K44 R45 | A37-S41 WeakPolarHBondContact O-CB 3.42Å; A37-S41 PolarHBondContact O-N 3.2Å; A37-S41 PolarHBondContact O-OG 2.94Å; L38-S41 WeakPolarHBondContact CA-OG 3.46Å; L38-S41 PolarHBondContact O-N 3.47Å; L38-S41 PolarHBondContact O-OG 2.97Å; S41-K44 PolarHBondContact O-N 2.92Å; S41-R45 WeakPolarHBondContact O-CB 3.47Å; S41-R45 PolarHBondContact O-N 2.89Å |
| 42 | E | 98.6 | Very high | 98 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 178.8 | -178.1 | 59.2 | -167.4 | 0 | 0 | 111.3 | L38 R39 K44 R45 L46 | L38-E42 WeakPolarHBondContact O-CB 3.37Å; L38-E42 PolarHBondContact O-N 3.2Å; R39-E42 PolarHBondContact O-N 3.39Å; E42-K44 VanDerWaalsContact C-N 3.32Å; E42-K44 PolarHBondContact O-N 3.34Å; E42-R45 WeakPolarHBondContact O-CB 3.47Å; E42-R45 PolarHBondContact O-N 3.31Å; E42-R45 IonicContact OE1-CZ 3.77Å; E42-R45 IonicContact OE1-NE 2.89Å; E42-R45 PolarHBondContact OE1-NE 3.31Å; E42-R45 IonicContact OE1-NH2 2.76Å; E42-R45 PolarHBondContact OE1-NH2 3.16Å; E42-R45 IonicContact OE2-CZ 3.33Å; E42-R45 IonicContact OE2-NE 3.88Å; E42-R45 PolarHBondContact OE2-NE 2.92Å; E42-R45 IonicContact OE2-NH2 3.78Å; E42-L46 WeakPolarHBondContact O-CG 3.44Å; E42-L46 PolarHBondContact O-N 3.17Å |
| 43 | K | 98.6 | Very high | 98 | Very high | 155 Ų | 155 | 105.9 Ų | 105.9 | 67% | 0.674 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -43.6 | 171.8 | -175.3 | 177.1 | -179.2 | 178.5 | 0 | 111.5 | R39 D40 L46 D47 | R39-K43 PolarHBondContact O-N 3.33Å; D40-K43 PolarHBondContact O-N 3.42Å; K43-L46 PolarHBondContact O-N 3.39Å; K43-D47 PolarHBondContact O-N 2.89Å; K43-D47 VanDerWaalsContact O-N 3.08Å |
| 44 | K | 98.6 | Very high | 98.1 | Very high | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -39.1 | 177.3 | -174.8 | 176 | -179.6 | 179.4 | 0 | 112 | D40 S41 E42 D47 L48 | D40-K44 WeakPolarHBondContact O-CB 3.46Å; D40-K44 PolarHBondContact O-N 3.49Å; S41-K44 PolarHBondContact O-N 2.92Å; E42-K44 VanDerWaalsContact C-N 3.32Å; E42-K44 PolarHBondContact O-N 3.34Å; K44-D47 PolarHBondContact O-N 3Å; K44-L48 HydrophobicContact CG-CD1 4.24Å; K44-L48 WeakPolarHBondContact O-CG 3.32Å; K44-L48 PolarHBondContact O-N 3.42Å |
| 45 | R | 98.4 | Very high | 98 | Very high | 109 Ų | 109 | 104.8 Ų | 104.8 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.5 | -170.9 | -164.3 | 63.4 | 65.5 | 0.6 | 110.8 | S41 E42 L48 E49 | S41-R45 WeakPolarHBondContact O-CB 3.47Å; S41-R45 PolarHBondContact O-N 2.89Å; E42-R45 WeakPolarHBondContact O-CB 3.47Å; E42-R45 PolarHBondContact O-N 3.31Å; E42-R45 IonicContact OE1-CZ 3.77Å; E42-R45 IonicContact OE1-NE 2.89Å; E42-R45 PolarHBondContact OE1-NE 3.31Å; E42-R45 IonicContact OE1-NH2 2.76Å; E42-R45 PolarHBondContact OE1-NH2 3.16Å; E42-R45 IonicContact OE2-CZ 3.33Å; E42-R45 IonicContact OE2-NE 3.88Å; E42-R45 PolarHBondContact OE2-NE 2.92Å; E42-R45 IonicContact OE2-NH2 3.78Å; R45-L48 PolarHBondContact O-N 2.98Å; R45-E49 IonicContact CZ-OE2 3.4Å; R45-E49 IonicContact NH1-OE2 3.32Å; R45-E49 PolarHBondContact NH1-OE2 3.47Å; R45-E49 WeakPolarHBondContact O-CB 3.49Å; R45-E49 PolarHBondContact O-N 2.8Å |
| 46 | L | 98.5 | Very high | 97.9 | Very high | 91 Ų | 91 | 104.7 Ų | 104.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.1 | -72.8 | 169.5 | 0 | 0 | 0 | 112.5 | E42 K43 L48 E49 D50 | E42-L46 WeakPolarHBondContact O-CG 3.44Å; E42-L46 PolarHBondContact O-N 3.17Å; K43-L46 PolarHBondContact O-N 3.39Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-E49 PolarHBondContact O-N 3.35Å; L46-D50 PolarHBondContact O-N 2.99Å |
| 47 | D | 98.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 105.1 Ų | 105.1 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 176.2 | 172.9 | 77.8 | 0 | 0 | 0 | 112.5 | K43 K44 K51 | K43-D47 PolarHBondContact O-N 2.89Å; K43-D47 VanDerWaalsContact O-N 3.08Å; K44-D47 PolarHBondContact O-N 3Å; D47-K51 WeakPolarHBondContact O-CG 3.43Å; D47-K51 PolarHBondContact O-N 3.46Å; D47-K51 VanDerWaalsContact O-N 3.12Å; D47-K51 WeakPolarHBondContact OD1-CE 3.41Å; D47-K51 IonicContact OD1-NZ 2.67Å; D47-K51 PolarHBondContact OD1-NZ 3.35Å; D47-K51 WeakPolarHBondContact OD2-CE 3.41Å; D47-K51 IonicContact OD2-NZ 2.92Å; D47-K51 PolarHBondContact OD2-NZ 3.29Å |
| 48 | L | 98.2 | Very high | 97.6 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70 | -35 | 176.2 | -70.4 | 174.8 | 0 | 0 | 0 | 112.5 | K44 R45 L46 K51 L52 | K44-L48 HydrophobicContact CG-CD1 4.24Å; K44-L48 WeakPolarHBondContact O-CG 3.32Å; K44-L48 PolarHBondContact O-N 3.42Å; R45-L48 PolarHBondContact O-N 2.98Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.34Å; L48-K51 PolarHBondContact O-N 2.94Å; L48-L52 VanDerWaalsContact O-CB 3.32Å; L48-L52 WeakPolarHBondContact O-CB 3.45Å; L48-L52 PolarHBondContact O-N 2.96Å |
| 49 | E | 98.1 | Very high | 97.5 | Very high | 110 Ų | 110 | 102 Ų | 102 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.3 | -172.1 | 168 | -164.2 | 0 | 0 | 111.4 | R45 L46 L52 Y53 | R45-E49 IonicContact CZ-OE2 3.4Å; R45-E49 IonicContact NH1-OE2 3.32Å; R45-E49 PolarHBondContact NH1-OE2 3.47Å; R45-E49 WeakPolarHBondContact O-CB 3.49Å; R45-E49 PolarHBondContact O-N 2.8Å; L46-E49 PolarHBondContact O-N 3.35Å; E49-L52 PolarHBondContact O-N 2.94Å; E49-Y53 PolarHBondContact O-N 3.32Å |
| 50 | D | 98.3 | Very high | 97.4 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 175.3 | -172.6 | 60.9 | 0 | 0 | 0 | 112.1 | L46 L52 Y53 E54 | L46-D50 PolarHBondContact O-N 2.99Å; D50-L52 PolarHBondContact O-N 3.49Å; D50-Y53 WeakPolarHBondContact O-CB 3.46Å; D50-Y53 PolarHBondContact O-N 2.98Å; D50-E54 PolarHBondContact O-N 2.76Å |
| 51 | K | 98 | Very high | 97.2 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.8 | -74.9 | 170.3 | -178.9 | 165.4 | 0 | 112.7 | D47 L48 Y53 E54 Y55 | D47-K51 WeakPolarHBondContact O-CG 3.43Å; D47-K51 PolarHBondContact O-N 3.46Å; D47-K51 VanDerWaalsContact O-N 3.12Å; D47-K51 WeakPolarHBondContact OD1-CE 3.41Å; D47-K51 IonicContact OD1-NZ 2.67Å; D47-K51 PolarHBondContact OD1-NZ 3.35Å; D47-K51 WeakPolarHBondContact OD2-CE 3.41Å; D47-K51 IonicContact OD2-NZ 2.92Å; D47-K51 PolarHBondContact OD2-NZ 3.29Å; L48-K51 PolarHBondContact O-N 2.94Å; K51-Y53 VanDerWaalsContact C-N 3.3Å; K51-Y53 PolarHBondContact O-N 3.36Å; K51-E54 PolarHBondContact O-N 3.01Å; K51-Y55 WeakPolarHBondContact O-CB 3.47Å; K51-Y55 PolarHBondContact O-N 3.14Å |
| 52 | L | 97.2 | Very high | 97.2 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 63% | 0.628 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 178 | -177.9 | 62.5 | 0 | 0 | 0 | 111 | L48 E49 D50 N56 | L48-L52 VanDerWaalsContact O-CB 3.32Å; L48-L52 WeakPolarHBondContact O-CB 3.45Å; L48-L52 PolarHBondContact O-N 2.96Å; E49-L52 PolarHBondContact O-N 2.94Å; D50-L52 PolarHBondContact O-N 3.49Å; L52-N56 WeakPolarHBondContact O-CB 3.31Å; L52-N56 PolarHBondContact O-N 2.91Å |
| 53 | Y | 96.9 | Very high | 97.1 | Very high | 146 Ų | 146 | 102 Ų | 102 | 57% | 0.573 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -50.7 | 176.3 | 177.3 | -98.1 | 0 | 0 | 0 | 112 | E49 D50 K51 Y55 N56 K57 | E49-Y53 PolarHBondContact O-N 3.32Å; D50-Y53 WeakPolarHBondContact O-CB 3.46Å; D50-Y53 PolarHBondContact O-N 2.98Å; K51-Y53 VanDerWaalsContact C-N 3.3Å; K51-Y53 PolarHBondContact O-N 3.36Å; Y53-Y55 PolarHBondContact O-N 2.93Å; Y53-N56 PolarHBondContact O-N 3.04Å; Y53-K57 HydrophobicContact CE1-CD 4.18Å; Y53-K57 WeakPolarHBondContact O-CB 3.34Å; Y53-K57 PolarHBondContact O-N 3.46Å |
| 54 | E | 97.3 | Very high | 97 | Very high | 77 Ų | 77 | 100.9 Ų | 100.9 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 179.9 | -73.1 | -58.7 | 138.5 | 0 | 0 | 112.7 | D50 K51 K57 S58 | D50-E54 PolarHBondContact O-N 2.76Å; K51-E54 PolarHBondContact O-N 3.01Å; E54-K57 IonicContact OE1-NZ 2.9Å; E54-K57 PolarHBondContact OE1-NZ 2.95Å; E54-K57 IonicContact OE2-NZ 2.69Å; E54-K57 PolarHBondContact OE2-NZ 3.48Å; E54-S58 WeakPolarHBondContact O-CB 3.5Å; E54-S58 PolarHBondContact O-N 3.18Å; E54-S58 PolarHBondContact O-OG 3.47Å |
| 55 | Y | 96.1 | Very high | 97 | Very high | 143 Ų | 143 | 98.9 Ų | 98.9 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -49 | 172.7 | -178.5 | -91.6 | 0 | 0 | 0 | 111.7 | K51 Y53 K57 S58 D59 | K51-Y55 WeakPolarHBondContact O-CB 3.47Å; K51-Y55 PolarHBondContact O-N 3.14Å; Y53-Y55 PolarHBondContact O-N 2.93Å; Y55-K57 VanDerWaalsContact C-N 3.33Å; Y55-K57 PolarHBondContact O-N 3.26Å; Y55-S58 WeakPolarHBondContact O-CB 3.43Å; Y55-S58 PolarHBondContact O-N 3.45Å; Y55-S58 VanDerWaalsContact O-N 3.14Å; Y55-D59 WeakPolarHBondContact CE1-OD2 3.4Å; Y55-D59 PolarHBondContact O-N 2.99Å; Y55-D59 PolarHBondContact OH-OD2 3.39Å |
| 56 | N | 94.8 | Very high | 97 | Very high | 102 Ų | 102 | 100.2 Ų | 100.2 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 179.3 | -178.1 | -88.4 | 0 | 0 | 0 | 112.3 | L52 Y53 S58 D59 K60 | L52-N56 WeakPolarHBondContact O-CB 3.31Å; L52-N56 PolarHBondContact O-N 2.91Å; Y53-N56 PolarHBondContact O-N 3.04Å; N56-S58 VanDerWaalsContact C-N 3.32Å; N56-S58 PolarHBondContact O-N 3.33Å; N56-D59 WeakPolarHBondContact O-CB 3.35Å; N56-D59 PolarHBondContact O-N 3.32Å; N56-K60 PolarHBondContact O-N 3.17Å |
| 57 | K | 95.2 | Very high | 97 | Very high | 91 Ų | 91 | 100 Ų | 100 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175 | 178.6 | -179.9 | 166 | -156.3 | 0 | 111.5 | Y53 E54 Y55 K60 C61 | Y53-K57 HydrophobicContact CE1-CD 4.18Å; Y53-K57 WeakPolarHBondContact O-CB 3.34Å; Y53-K57 PolarHBondContact O-N 3.46Å; E54-K57 IonicContact OE1-NZ 2.9Å; E54-K57 PolarHBondContact OE1-NZ 2.95Å; E54-K57 IonicContact OE2-NZ 2.69Å; E54-K57 PolarHBondContact OE2-NZ 3.48Å; Y55-K57 VanDerWaalsContact C-N 3.33Å; Y55-K57 PolarHBondContact O-N 3.26Å; K57-K60 PolarHBondContact O-N 2.91Å; K57-C61 PolarHBondContact O-N 2.94Å; K57-C61 PolarHBondContact O-SG 3.21Å; K57-C61 VanDerWaalsContact O-SG 3.38Å |
| 58 | S | 95 | Very high | 97 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | E54 Y55 N56 K60 C61 R62 | E54-S58 WeakPolarHBondContact O-CB 3.5Å; E54-S58 PolarHBondContact O-N 3.18Å; E54-S58 PolarHBondContact O-OG 3.47Å; Y55-S58 WeakPolarHBondContact O-CB 3.43Å; Y55-S58 PolarHBondContact O-N 3.45Å; Y55-S58 VanDerWaalsContact O-N 3.14Å; N56-S58 VanDerWaalsContact C-N 3.32Å; N56-S58 PolarHBondContact O-N 3.33Å; S58-K60 PolarHBondContact O-N 2.83Å; S58-C61 PolarHBondContact O-N 2.94Å; S58-R62 WeakPolarHBondContact O-CB 3.4Å; S58-R62 PolarHBondContact O-N 3.38Å |
| 59 | D | 96 | Very high | 97 | Very high | 43 Ų | 43 | 100.3 Ų | 100.3 | 23% | 0.23 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.6 | -81.6 | 13.3 | 0 | 0 | 0 | 112 | Y55 N56 C61 R62 A63 | Y55-D59 WeakPolarHBondContact CE1-OD2 3.4Å; Y55-D59 PolarHBondContact O-N 2.99Å; Y55-D59 PolarHBondContact OH-OD2 3.39Å; N56-D59 WeakPolarHBondContact O-CB 3.35Å; N56-D59 PolarHBondContact O-N 3.32Å; D59-C61 PolarHBondContact O-N 3.09Å; D59-R62 PolarHBondContact O-N 2.91Å; D59-R62 IonicContact OD1-CZ 3.83Å; D59-R62 IonicContact OD1-NH1 2.67Å; D59-R62 PolarHBondContact OD1-NH1 3.25Å; D59-R62 IonicContact OD1-NH2 3.34Å; D59-R62 PolarHBondContact OD1-NH2 3.46Å; D59-R62 IonicContact OD2-NH2 3.08Å; D59-R62 PolarHBondContact OD2-NH2 2.97Å; D59-A63 WeakPolarHBondContact O-CB 3.46Å; D59-A63 PolarHBondContact O-N 3.25Å |
| 60 | K | 96.9 | Very high | 97 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 175.2 | -172.7 | 174.6 | -175.4 | 173.4 | 0 | 111.8 | N56 K57 S58 A63 K64 | N56-K60 PolarHBondContact O-N 3.17Å; K57-K60 PolarHBondContact O-N 2.91Å; S58-K60 PolarHBondContact O-N 2.83Å; K60-A63 PolarHBondContact O-N 3.15Å; K60-K64 WeakPolarHBondContact O-CG 3.4Å; K60-K64 PolarHBondContact O-N 3.08Å |
| 61 | C | 94.7 | Very high | 97 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.3 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | K57 S58 D59 A63 K64 L65 | K57-C61 PolarHBondContact O-N 2.94Å; K57-C61 PolarHBondContact O-SG 3.21Å; K57-C61 VanDerWaalsContact O-SG 3.38Å; S58-C61 PolarHBondContact O-N 2.94Å; D59-C61 PolarHBondContact O-N 3.09Å; C61-A63 PolarHBondContact O-N 2.96Å; C61-K64 PolarHBondContact O-N 3.12Å; C61-L65 PolarHBondContact O-N 2.87Å |
| 62 | R | 96.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 104.4 Ų | 104.4 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.5 | -175.6 | 171.3 | 67.7 | -109.9 | 1.8 | 111.5 | S58 D59 L65 K66 | S58-R62 WeakPolarHBondContact O-CB 3.4Å; S58-R62 PolarHBondContact O-N 3.38Å; D59-R62 PolarHBondContact O-N 2.91Å; D59-R62 IonicContact OD1-CZ 3.83Å; D59-R62 IonicContact OD1-NH1 2.67Å; D59-R62 PolarHBondContact OD1-NH1 3.25Å; D59-R62 IonicContact OD1-NH2 3.34Å; D59-R62 PolarHBondContact OD1-NH2 3.46Å; D59-R62 IonicContact OD2-NH2 3.08Å; D59-R62 PolarHBondContact OD2-NH2 2.97Å; R62-L65 PolarHBondContact O-N 3.32Å; R62-K66 WeakPolarHBondContact O-CG 3.48Å; R62-K66 PolarHBondContact O-N 3.2Å |
| 63 | A | 97.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D59 K60 C61 L65 K66 C67 | D59-A63 WeakPolarHBondContact O-CB 3.46Å; D59-A63 PolarHBondContact O-N 3.25Å; K60-A63 PolarHBondContact O-N 3.15Å; C61-A63 PolarHBondContact O-N 2.96Å; A63-L65 VanDerWaalsContact C-N 3.35Å; A63-L65 PolarHBondContact O-N 2.89Å; A63-K66 PolarHBondContact O-N 3.34Å; A63-C67 PolarHBondContact O-N 3.17Å; A63-C67 PolarHBondContact O-SG 3.37Å |
| 64 | K | 97.4 | Very high | 97.2 | Very high | 130 Ų | 130 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57 | -45.9 | 176 | -75.5 | 176.8 | 177.2 | -174.6 | 0 | 112.4 | K60 C61 C67 A68 | K60-K64 WeakPolarHBondContact O-CG 3.4Å; K60-K64 PolarHBondContact O-N 3.08Å; C61-K64 PolarHBondContact O-N 3.12Å; K64-C67 PolarHBondContact O-N 2.97Å; K64-A68 PolarHBondContact O-N 3.41Å |
| 65 | L | 97.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 106.5 Ų | 106.5 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.4 | -179.3 | 62.7 | 0 | 0 | 0 | 111.6 | C61 R62 A63 A68 K69 | C61-L65 PolarHBondContact O-N 2.87Å; R62-L65 PolarHBondContact O-N 3.32Å; A63-L65 VanDerWaalsContact C-N 3.35Å; A63-L65 PolarHBondContact O-N 2.89Å; L65-A68 PolarHBondContact O-N 3.34Å; L65-K69 WeakPolarHBondContact O-CG 3.33Å; L65-K69 PolarHBondContact O-N 2.84Å |
| 66 | K | 98.3 | Very high | 97.4 | Very high | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -46.8 | 174.8 | -74.8 | -178.1 | 178.6 | -171.9 | 0 | 111.3 | R62 A63 A68 K69 L70 | R62-K66 WeakPolarHBondContact O-CG 3.48Å; R62-K66 PolarHBondContact O-N 3.2Å; A63-K66 PolarHBondContact O-N 3.34Å; K66-A68 VanDerWaalsContact C-N 3.34Å; K66-A68 PolarHBondContact O-N 3.15Å; K66-K69 PolarHBondContact O-N 3.27Å; K66-L70 WeakPolarHBondContact O-CB 3.48Å; K66-L70 PolarHBondContact O-N 3.44Å |
| 67 | C | 98.3 | Very high | 97.6 | Very high | 85 Ų | 85 | 102.9 Ų | 102.9 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 176.8 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | A63 K64 L70 K71 | A63-C67 PolarHBondContact O-N 3.17Å; A63-C67 PolarHBondContact O-SG 3.37Å; K64-C67 PolarHBondContact O-N 2.97Å; C67-L70 PolarHBondContact O-N 3.08Å; C67-K71 VanDerWaalsContact O-CB 3.31Å; C67-K71 WeakPolarHBondContact O-CB 3.42Å; C67-K71 PolarHBondContact O-N 3.24Å |
| 68 | A | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 101.1 Ų | 101.1 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K64 L65 K66 K71 K72 | K64-A68 PolarHBondContact O-N 3.41Å; L65-A68 PolarHBondContact O-N 3.34Å; K66-A68 VanDerWaalsContact C-N 3.34Å; K66-A68 PolarHBondContact O-N 3.15Å; A68-K71 PolarHBondContact O-N 2.71Å; A68-K72 PolarHBondContact O-N 3.19Å |
| 69 | K | 98.6 | Very high | 98 | Very high | 116 Ų | 116 | 101 Ų | 101 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 174.7 | -73.3 | -177.4 | 178.4 | -172.9 | 0 | 111.5 | L65 K66 K71 K72 Y73 | L65-K69 WeakPolarHBondContact O-CG 3.33Å; L65-K69 PolarHBondContact O-N 2.84Å; K66-K69 PolarHBondContact O-N 3.27Å; K69-K71 PolarHBondContact O-N 3.49Å; K69-K72 WeakPolarHBondContact O-CB 3.4Å; K69-K72 PolarHBondContact O-N 3.06Å; K69-Y73 HydrophobicContact CB-CE2 4.48Å; K69-Y73 VanDerWaalsContact O-CD2 3.29Å; K69-Y73 WeakPolarHBondContact O-CD2 3.39Å; K69-Y73 PolarHBondContact O-N 3.08Å |
| 70 | L | 98.8 | Very high | 98.1 | Very high | 122 Ų | 122 | 101.4 Ų | 101.4 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 179.3 | -177.5 | 60.5 | 0 | 0 | 0 | 111.8 | K66 C67 K72 Y73 L74 | K66-L70 WeakPolarHBondContact O-CB 3.48Å; K66-L70 PolarHBondContact O-N 3.44Å; C67-L70 PolarHBondContact O-N 3.08Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 2.83Å; L70-Y73 PolarHBondContact O-N 3.44Å; L70-L74 WeakPolarHBondContact O-CB 3.4Å; L70-L74 PolarHBondContact O-N 3.29Å |
| 71 | K | 98.7 | Very high | 98.2 | Very high | 164 Ų | 164 | 100.3 Ų | 100.3 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.4 | -39.6 | 175.9 | -175.8 | 176 | -179.1 | 177 | 0 | 111.9 | C67 A68 K69 K75 | C67-K71 VanDerWaalsContact O-CB 3.31Å; C67-K71 WeakPolarHBondContact O-CB 3.42Å; C67-K71 PolarHBondContact O-N 3.24Å; A68-K71 PolarHBondContact O-N 2.71Å; K69-K71 PolarHBondContact O-N 3.49Å; K71-K75 PolarHBondContact O-N 2.88Å; K71-K75 VanDerWaalsContact O-N 3.14Å |
| 72 | K | 98.8 | Very high | 98.4 | Very high | 128 Ų | 128 | 103.1 Ų | 103.1 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -52.5 | 174.8 | 177.8 | -177.6 | 168.2 | -179.2 | 0 | 111 | A68 K69 L70 L74 K75 E76 | A68-K72 PolarHBondContact O-N 3.19Å; K69-K72 WeakPolarHBondContact O-CB 3.4Å; K69-K72 PolarHBondContact O-N 3.06Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 2.83Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-L74 PolarHBondContact O-N 3.43Å; K72-K75 WeakPolarHBondContact O-CB 3.37Å; K72-K75 PolarHBondContact O-N 3.47Å; K72-K75 VanDerWaalsContact O-N 3.13Å; K72-E76 WeakPolarHBondContact CE-OE1 3.33Å; K72-E76 IonicContact NZ-OE1 2.66Å; K72-E76 PolarHBondContact O-N 3.34Å |
| 73 | Y | 98.8 | Very high | 98.5 | Very high | 139 Ų | 139 | 103.7 Ų | 103.7 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | -179.8 | -67.9 | -47 | 0 | 0 | 0 | 112.6 | K69 L70 K75 E76 V77 | K69-Y73 HydrophobicContact CB-CE2 4.48Å; K69-Y73 VanDerWaalsContact O-CD2 3.29Å; K69-Y73 WeakPolarHBondContact O-CD2 3.39Å; K69-Y73 PolarHBondContact O-N 3.08Å; L70-Y73 PolarHBondContact O-N 3.44Å; Y73-K75 VanDerWaalsContact C-N 3.27Å; Y73-K75 PolarHBondContact O-N 3.25Å; Y73-E76 PolarHBondContact O-N 3.43Å; Y73-V77 WeakPolarHBondContact O-CG2 2.83Å; Y73-V77 PolarHBondContact O-N 3.02Å |
| 74 | L | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.6 | -43.7 | 176 | -178 | 62.1 | 0 | 0 | 0 | 111.2 | L70 K72 V77 C78 | L70-L74 WeakPolarHBondContact O-CB 3.4Å; L70-L74 PolarHBondContact O-N 3.29Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-L74 PolarHBondContact O-N 3.43Å; L74-V77 PolarHBondContact O-N 2.97Å; L74-C78 PolarHBondContact O-N 3.05Å; L74-C78 PolarHBondContact O-SG 3.28Å |
| 75 | K | 98.7 | Very high | 98.6 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 176.7 | -168.6 | -177.3 | -178.5 | -168.3 | 0 | 111.7 | K71 K72 Y73 V77 C78 E79 | K71-K75 PolarHBondContact O-N 2.88Å; K71-K75 VanDerWaalsContact O-N 3.14Å; K72-K75 WeakPolarHBondContact O-CB 3.37Å; K72-K75 PolarHBondContact O-N 3.47Å; K72-K75 VanDerWaalsContact O-N 3.13Å; Y73-K75 VanDerWaalsContact C-N 3.27Å; Y73-K75 PolarHBondContact O-N 3.25Å; K75-V77 VanDerWaalsContact C-N 3.35Å; K75-V77 PolarHBondContact O-N 3.12Å; K75-C78 PolarHBondContact O-N 3.08Å; K75-E79 WeakPolarHBondContact CE-OE1 3.45Å; K75-E79 WeakPolarHBondContact O-CG 3.29Å; K75-E79 PolarHBondContact O-N 2.9Å |
| 76 | E | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 101.4 Ų | 101.4 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 178.8 | -71.8 | 172.4 | 180 | 0 | 0 | 111.9 | K72 Y73 E79 S80 | K72-E76 WeakPolarHBondContact CE-OE1 3.33Å; K72-E76 IonicContact NZ-OE1 2.66Å; K72-E76 PolarHBondContact O-N 3.34Å; Y73-E76 PolarHBondContact O-N 3.43Å; E76-E79 PolarHBondContact O-N 3.08Å; E76-S80 WeakPolarHBondContact O-CB 3.21Å; E76-S80 PolarHBondContact O-N 3.1Å; E76-S80 PolarHBondContact O-OG 3.35Å |
| 77 | V | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | Y73 L74 K75 E79 S80 E81 | Y73-V77 WeakPolarHBondContact O-CG2 2.83Å; Y73-V77 PolarHBondContact O-N 3.02Å; L74-V77 PolarHBondContact O-N 2.97Å; K75-V77 VanDerWaalsContact C-N 3.35Å; K75-V77 PolarHBondContact O-N 3.12Å; V77-E79 VanDerWaalsContact C-N 3.28Å; V77-E79 PolarHBondContact O-N 3.49Å; V77-S80 PolarHBondContact O-N 3.1Å; V77-S80 VanDerWaalsContact O-N 3.08Å; V77-S80 PolarHBondContact O-OG 2.91Å; V77-E81 PolarHBondContact O-N 3.47Å |
| 78 | C | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 102.1 Ų | 102.1 | 37% | 0.365 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 178.8 | -67.7 | 0 | 0 | 0 | 0 | 112.8 | L74 K75 R82 | L74-C78 PolarHBondContact O-N 3.05Å; L74-C78 PolarHBondContact O-SG 3.28Å; K75-C78 PolarHBondContact O-N 3.08Å; C78-R82 PolarHBondContact O-N 3.39Å; C78-R82 VanDerWaalsContact O-N 3.16Å |
| 79 | E | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 104.8 Ų | 104.8 | 29% | 0.29 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 175.1 | -70.5 | 177.6 | -173.1 | 0 | 0 | 112.6 | K75 E76 V77 E81 R82 R83 | K75-E79 WeakPolarHBondContact CE-OE1 3.45Å; K75-E79 WeakPolarHBondContact O-CG 3.29Å; K75-E79 PolarHBondContact O-N 2.9Å; E76-E79 PolarHBondContact O-N 3.08Å; V77-E79 VanDerWaalsContact C-N 3.28Å; V77-E79 PolarHBondContact O-N 3.49Å; E79-E81 VanDerWaalsContact C-N 3.34Å; E79-R82 PolarHBondContact O-N 3Å; E79-R83 WeakPolarHBondContact O-CG 3.33Å; E79-R83 PolarHBondContact O-N 3.47Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E79-R83 IonicContact OE2-NH1 3.88Å |
| 80 | S | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 36% | 0.357 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.1 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | E76 V77 R83 A84 | E76-S80 WeakPolarHBondContact O-CB 3.21Å; E76-S80 PolarHBondContact O-N 3.1Å; E76-S80 PolarHBondContact O-OG 3.35Å; V77-S80 PolarHBondContact O-N 3.1Å; V77-S80 VanDerWaalsContact O-N 3.08Å; V77-S80 PolarHBondContact O-OG 2.91Å; S80-R83 PolarHBondContact O-N 3.41Å; S80-A84 PolarHBondContact O-N 3.3Å |
| 81 | E | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 175 | -176.8 | -176.7 | -172 | 0 | 0 | 110.8 | V77 E79 R83 A84 Q85 | V77-E81 PolarHBondContact O-N 3.47Å; E79-E81 VanDerWaalsContact C-N 3.34Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.19Å; E81-A84 CarbonylContact O-C 3.6Å; E81-A84 WeakPolarHBondContact O-CA 3.43Å; E81-A84 WeakPolarHBondContact O-CB 3.44Å; E81-A84 PolarHBondContact O-N 3.39Å; E81-Q85 HydrophobicContact CG-CG 4.44Å; E81-Q85 WeakPolarHBondContact O-CG 3.46Å; E81-Q85 PolarHBondContact O-N 3.42Å; E81-Q85 PolarHBondContact OE1-NE2 2.99Å |
| 82 | R | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 98.7 Ų | 98.7 | 50% | 0.502 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.3 | -42 | 177.1 | -163.4 | -171.7 | -45 | 100.3 | 9.1 | 112 | C78 E79 Q85 V86 | C78-R82 PolarHBondContact O-N 3.39Å; C78-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 PolarHBondContact O-N 3Å; R82-Q85 PolarHBondContact O-N 3.16Å; R82-V86 WeakPolarHBondContact O-CG2 3.41Å; R82-V86 PolarHBondContact O-N 3.17Å; R82-V86 VanDerWaalsContact O-N 3.1Å |
| 83 | R | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 98.8 Ų | 98.8 | 48% | 0.475 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.2 | -71.3 | -173.9 | -65.7 | -92.8 | 2.6 | 111.7 | E79 S80 E81 R87 | E79-R83 WeakPolarHBondContact O-CG 3.33Å; E79-R83 PolarHBondContact O-N 3.47Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E79-R83 IonicContact OE2-NH1 3.88Å; S80-R83 PolarHBondContact O-N 3.41Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.19Å; R83-R87 WeakPolarHBondContact O-CG 3.38Å; R83-R87 PolarHBondContact O-N 3.16Å; R83-R87 VanDerWaalsContact O-N 3.12Å |
| 84 | A | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 98.9 Ų | 98.9 | 24% | 0.24 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S80 E81 V86 R87 N88 | S80-A84 PolarHBondContact O-N 3.3Å; E81-A84 CarbonylContact O-C 3.6Å; E81-A84 WeakPolarHBondContact O-CA 3.43Å; E81-A84 WeakPolarHBondContact O-CB 3.44Å; E81-A84 PolarHBondContact O-N 3.39Å; A84-V86 PolarHBondContact O-N 2.9Å; A84-R87 PolarHBondContact O-N 3.02Å; A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 2.96Å; A84-N88 PolarHBondContact O-OD1 3.43Å |
| 85 | Q | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 100.3 Ų | 100.3 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 176.9 | -71.7 | 174.8 | -1.8 | 0 | 0 | 111.9 | E81 R82 R87 N88 Q89 | E81-Q85 HydrophobicContact CG-CG 4.44Å; E81-Q85 WeakPolarHBondContact O-CG 3.46Å; E81-Q85 PolarHBondContact O-N 3.42Å; E81-Q85 PolarHBondContact OE1-NE2 2.99Å; R82-Q85 PolarHBondContact O-N 3.16Å; Q85-R87 PolarHBondContact O-N 3.3Å; Q85-N88 PolarHBondContact O-N 3.47Å; Q85-Q89 WeakPolarHBondContact O-CB 3.4Å; Q85-Q89 PolarHBondContact O-N 3.03Å |
| 86 | V | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 98.7 Ų | 98.7 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | R82 A84 Q89 G90 | R82-V86 WeakPolarHBondContact O-CG2 3.41Å; R82-V86 PolarHBondContact O-N 3.17Å; R82-V86 VanDerWaalsContact O-N 3.1Å; A84-V86 PolarHBondContact O-N 2.9Å; V86-Q89 PolarHBondContact O-N 3.2Å; V86-G90 PolarHBondContact O-N 3.13Å; V86-G90 VanDerWaalsContact O-N 3.08Å |
| 87 | R | 98.5 | Very high | 98.5 | Very high | 140 Ų | 140 | 98.7 Ų | 98.7 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 177.1 | -70.8 | -173.6 | -56.3 | -123.9 | 1.4 | 111.8 | R83 A84 Q85 Q89 G90 Y91 | R83-R87 WeakPolarHBondContact O-CG 3.38Å; R83-R87 PolarHBondContact O-N 3.16Å; R83-R87 VanDerWaalsContact O-N 3.12Å; A84-R87 PolarHBondContact O-N 3.02Å; Q85-R87 PolarHBondContact O-N 3.3Å; R87-Q89 VanDerWaalsContact C-N 3.33Å; R87-Q89 PolarHBondContact O-N 3.03Å; R87-G90 WeakPolarHBondContact O-CA 3.31Å; R87-G90 PolarHBondContact O-N 3.14Å; R87-Y91 HydrophobicContact CB-CE2 4.4Å; R87-Y91 WeakPolarHBondContact O-CD2 3.16Å; R87-Y91 PolarHBondContact O-N 3.4Å |
| 88 | N | 98.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | -179.7 | -69.4 | 2.3 | 0 | 0 | 0 | 111.6 | A84 Q85 G90 Y91 L92 | A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 2.96Å; A84-N88 PolarHBondContact O-OD1 3.43Å; Q85-N88 PolarHBondContact O-N 3.47Å; N88-G90 VanDerWaalsContact C-N 3.27Å; N88-G90 PolarHBondContact O-N 3.43Å; N88-Y91 PolarHBondContact O-N 2.9Å; N88-Y91 VanDerWaalsContact O-N 3.15Å; N88-L92 PolarHBondContact O-N 2.9Å |
| 89 | Q | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 172.3 | -170.1 | -176.7 | 41.1 | 0 | 0 | 111.6 | Q85 V86 R87 L92 K93 | Q85-Q89 WeakPolarHBondContact O-CB 3.4Å; Q85-Q89 PolarHBondContact O-N 3.03Å; V86-Q89 PolarHBondContact O-N 3.2Å; R87-Q89 VanDerWaalsContact C-N 3.33Å; R87-Q89 PolarHBondContact O-N 3.03Å; Q89-L92 PolarHBondContact O-N 3.26Å; Q89-K93 WeakPolarHBondContact O-CG 3.48Å; Q89-K93 PolarHBondContact O-N 3.24Å |
| 90 | G | 98.3 | Very high | 98.4 | Very high | 31 Ų | 31 | 101.7 Ų | 101.7 | 32% | 0.32 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | V86 R87 N88 K94 | V86-G90 PolarHBondContact O-N 3.13Å; V86-G90 VanDerWaalsContact O-N 3.08Å; R87-G90 WeakPolarHBondContact O-CA 3.31Å; R87-G90 PolarHBondContact O-N 3.14Å; N88-G90 VanDerWaalsContact C-N 3.27Å; N88-G90 PolarHBondContact O-N 3.43Å; G90-K94 WeakPolarHBondContact O-CG 3.44Å; G90-K94 PolarHBondContact O-N 3.16Å |
| 91 | Y | 98.4 | Very high | 98.4 | Very high | 142 Ų | 142 | 106.1 Ų | 106.1 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | 174.5 | -66.4 | -48.6 | 0 | 0 | 0 | 112.5 | R87 N88 K93 K94 F95 | R87-Y91 HydrophobicContact CB-CE2 4.4Å; R87-Y91 WeakPolarHBondContact O-CD2 3.16Å; R87-Y91 PolarHBondContact O-N 3.4Å; N88-Y91 PolarHBondContact O-N 2.9Å; N88-Y91 VanDerWaalsContact O-N 3.15Å; Y91-K93 PolarHBondContact O-N 3.13Å; Y91-K94 WeakPolarHBondContact O-CB 3.38Å; Y91-K94 PolarHBondContact O-N 3.34Å; Y91-K94 VanDerWaalsContact O-N 3.15Å; Y91-F95 PolarHBondContact O-N 2.69Å |
| 92 | L | 98.5 | Very high | 98.3 | Very high | 102 Ų | 102 | 104.6 Ų | 104.6 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 178.3 | -171.4 | 64.7 | 0 | 0 | 0 | 111.4 | N88 Q89 K94 F95 E96 | N88-L92 PolarHBondContact O-N 2.9Å; Q89-L92 PolarHBondContact O-N 3.26Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 2.67Å; L92-F95 WeakPolarHBondContact O-CB 3.47Å; L92-F95 PolarHBondContact O-N 2.88Å; L92-F95 VanDerWaalsContact O-N 3.09Å; L92-E96 WeakPolarHBondContact O-CG 3.35Å; L92-E96 PolarHBondContact O-N 3.37Å |
| 93 | K | 98.2 | Very high | 98.3 | Very high | 129 Ų | 129 | 102.8 Ų | 102.8 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -38.1 | 176.1 | -69.1 | 179.2 | -179.9 | -177.2 | 0 | 113.2 | Q89 Y91 F95 C97 | Q89-K93 WeakPolarHBondContact O-CG 3.48Å; Q89-K93 PolarHBondContact O-N 3.24Å; Y91-K93 PolarHBondContact O-N 3.13Å; K93-F95 VanDerWaalsContact C-N 3.34Å; K93-C97 PolarHBondContact O-N 3.48Å |
| 94 | K | 98.2 | Very high | 98.3 | Very high | 141 Ų | 141 | 102.6 Ų | 102.6 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.1 | -39.1 | 176 | -71.7 | 176.3 | -178.7 | -176.7 | 0 | 111.2 | G90 Y91 L92 C97 V98 | G90-K94 WeakPolarHBondContact O-CG 3.44Å; G90-K94 PolarHBondContact O-N 3.16Å; Y91-K94 WeakPolarHBondContact O-CB 3.38Å; Y91-K94 PolarHBondContact O-N 3.34Å; Y91-K94 VanDerWaalsContact O-N 3.15Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 2.67Å; K94-C97 WeakPolarHBondContact O-CB 3.37Å; K94-C97 PolarHBondContact O-N 2.99Å; K94-V98 WeakPolarHBondContact O-CG2 3.43Å; K94-V98 PolarHBondContact O-N 3.3Å; K94-V98 VanDerWaalsContact O-N 3.08Å |
| 95 | F | 98.3 | Very high | 98.2 | Very high | 140 Ų | 140 | 104.6 Ų | 104.6 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 177.5 | -163 | -90.5 | 0 | 0 | 0 | 111.5 | Y91 L92 K93 C97 V98 Q99 | Y91-F95 PolarHBondContact O-N 2.69Å; L92-F95 WeakPolarHBondContact O-CB 3.47Å; L92-F95 PolarHBondContact O-N 2.88Å; L92-F95 VanDerWaalsContact O-N 3.09Å; K93-F95 VanDerWaalsContact C-N 3.34Å; F95-C97 VanDerWaalsContact C-N 3.31Å; F95-C97 PolarHBondContact O-N 3.41Å; F95-V98 PolarHBondContact O-N 2.85Å; F95-V98 VanDerWaalsContact O-N 3.17Å; F95-Q99 WeakPolarHBondContact O-CB 3.35Å; F95-Q99 PolarHBondContact O-N 3.33Å |
| 96 | E | 98 | Very high | 98.2 | Very high | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 173.5 | -70.4 | 166.9 | -177 | 0 | 0 | 112.2 | L92 Q99 T100 | L92-E96 WeakPolarHBondContact O-CG 3.35Å; L92-E96 PolarHBondContact O-N 3.37Å; E96-Q99 PolarHBondContact O-N 2.92Å; E96-T100 WeakPolarHBondContact O-CG2 3.33Å; E96-T100 PolarHBondContact O-N 2.93Å; E96-T100 PolarHBondContact O-OG1 3.47Å |
| 97 | C | 97.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 101.3 Ų | 101.3 | 57% | 0.568 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 112 | K93 K94 F95 Q99 T100 Y101 | K93-C97 PolarHBondContact O-N 3.48Å; K94-C97 WeakPolarHBondContact O-CB 3.37Å; K94-C97 PolarHBondContact O-N 2.99Å; F95-C97 VanDerWaalsContact C-N 3.31Å; F95-C97 PolarHBondContact O-N 3.41Å; C97-Q99 VanDerWaalsContact C-N 3.33Å; C97-Q99 PolarHBondContact O-N 3.23Å; C97-T100 PolarHBondContact O-N 3.34Å; C97-T100 PolarHBondContact O-OG1 3.43Å; C97-Y101 PolarHBondContact O-N 2.91Å; C97-Y101 VanDerWaalsContact O-N 3.12Å |
| 98 | V | 98.2 | Very high | 98 | Very high | 87 Ų | 87 | 99 Ų | 99 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | K94 F95 Y101 V102 | K94-V98 WeakPolarHBondContact O-CG2 3.43Å; K94-V98 PolarHBondContact O-N 3.3Å; K94-V98 VanDerWaalsContact O-N 3.08Å; F95-V98 PolarHBondContact O-N 2.85Å; F95-V98 VanDerWaalsContact O-N 3.17Å; V98-Y101 PolarHBondContact O-N 3.3Å; V98-V102 HydrophobicContact CG1-CG2 4.32Å; V98-V102 WeakPolarHBondContact O-CG2 3.32Å; V98-V102 PolarHBondContact O-N 2.95Å |
| 99 | Q | 98.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 98.7 Ų | 98.7 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -51.1 | 178.1 | 179.2 | 177.8 | -14.8 | 0 | 0 | 111.3 | F95 E96 C97 Y101 V102 E103 | F95-Q99 WeakPolarHBondContact O-CB 3.35Å; F95-Q99 PolarHBondContact O-N 3.33Å; E96-Q99 PolarHBondContact O-N 2.92Å; C97-Q99 VanDerWaalsContact C-N 3.33Å; C97-Q99 PolarHBondContact O-N 3.23Å; Q99-Y101 VanDerWaalsContact C-N 3.28Å; Q99-Y101 PolarHBondContact O-N 3.4Å; Q99-V102 PolarHBondContact O-N 3.25Å; Q99-E103 VanDerWaalsContact CG-OE1 3.31Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.43Å; Q99-E103 PolarHBondContact NE2-OE1 3.45Å; Q99-E103 WeakPolarHBondContact O-CG 3.33Å; Q99-E103 PolarHBondContact O-N 3.29Å |
| 100 | T | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 98.1 Ų | 98.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 178.9 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | E96 C97 E103 H104 | E96-T100 WeakPolarHBondContact O-CG2 3.33Å; E96-T100 PolarHBondContact O-N 2.93Å; E96-T100 PolarHBondContact O-OG1 3.47Å; C97-T100 PolarHBondContact O-N 3.34Å; C97-T100 PolarHBondContact O-OG1 3.43Å; T100-E103 PolarHBondContact O-N 3.3Å; T100-H104 PolarHBondContact O-N 3.03Å |
| 101 | Y | 98 | Very high | 97.7 | Very high | 145 Ų | 145 | 102.9 Ų | 102.9 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 174.8 | 179.3 | -107.7 | 0 | 0 | 0 | 112.6 | C97 V98 Q99 E103 H104 L105 | C97-Y101 PolarHBondContact O-N 2.91Å; C97-Y101 VanDerWaalsContact O-N 3.12Å; V98-Y101 PolarHBondContact O-N 3.3Å; Q99-Y101 VanDerWaalsContact C-N 3.28Å; Q99-Y101 PolarHBondContact O-N 3.4Å; Y101-E103 VanDerWaalsContact C-N 3.35Å; Y101-H104 PolarHBondContact O-N 3.44Å; Y101-L105 HydrophobicContact CD1-CD1 3.89Å; Y101-L105 HydrophobicContact CD1-CG 4.33Å; Y101-L105 HydrophobicContact CE1-CD1 3.28Å; Y101-L105 HydrophobicContact CE1-CG 3.91Å; Y101-L105 HydrophobicContact CE2-CD1 4.47Å; Y101-L105 HydrophobicContact CE2-CD2 4.39Å; Y101-L105 HydrophobicContact CE2-CG 4.27Å; Y101-L105 WeakPolarHBondContact O-CG 3.34Å; Y101-L105 PolarHBondContact O-N 2.95Å |
| 102 | V | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 101.6 Ų | 101.6 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 177 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | V98 Q99 H104 L105 T106 | V98-V102 HydrophobicContact CG1-CG2 4.32Å; V98-V102 WeakPolarHBondContact O-CG2 3.32Å; V98-V102 PolarHBondContact O-N 2.95Å; Q99-V102 PolarHBondContact O-N 3.25Å; V102-H104 VanDerWaalsContact C-N 3.33Å; V102-H104 PolarHBondContact O-N 3.38Å; V102-L105 PolarHBondContact O-N 3.14Å; V102-T106 WeakPolarHBondContact O-CB 3.33Å; V102-T106 PolarHBondContact O-N 3.5Å; V102-T106 PolarHBondContact O-OG1 3.01Å |
| 103 | E | 98.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 100.9 Ų | 100.9 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 174.7 | -72.3 | 168.6 | -175.8 | 0 | 0 | 111.5 | Q99 T100 Y101 T106 T107 | Q99-E103 VanDerWaalsContact CG-OE1 3.31Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.43Å; Q99-E103 PolarHBondContact NE2-OE1 3.45Å; Q99-E103 WeakPolarHBondContact O-CG 3.33Å; Q99-E103 PolarHBondContact O-N 3.29Å; T100-E103 PolarHBondContact O-N 3.3Å; Y101-E103 VanDerWaalsContact C-N 3.35Å; E103-T106 PolarHBondContact O-N 3.46Å; E103-T107 PolarHBondContact O-N 2.93Å; E103-T107 PolarHBondContact O-OG1 2.89Å |
| 104 | H | 97.9 | Very high | 97.3 | Very high | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 176.1 | -177.8 | -92.4 | 0 | 0 | 0 | 112.4 | T100 Y101 V102 T106 T107 N108 | T100-H104 PolarHBondContact O-N 3.03Å; Y101-H104 PolarHBondContact O-N 3.44Å; V102-H104 VanDerWaalsContact C-N 3.33Å; V102-H104 PolarHBondContact O-N 3.38Å; H104-T106 VanDerWaalsContact C-N 3.31Å; H104-T106 PolarHBondContact O-N 3.38Å; H104-T107 PolarHBondContact O-N 2.9Å; H104-N108 PolarHBondContact O-N 2.92Å |
| 105 | L | 97.5 | Very high | 97.2 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 175.5 | -74.8 | -176.8 | 0 | 0 | 0 | 112.1 | Y101 V102 N108 T109 | Y101-L105 HydrophobicContact CD1-CD1 3.89Å; Y101-L105 HydrophobicContact CD1-CG 4.33Å; Y101-L105 HydrophobicContact CE1-CD1 3.28Å; Y101-L105 HydrophobicContact CE1-CG 3.91Å; Y101-L105 HydrophobicContact CE2-CD1 4.47Å; Y101-L105 HydrophobicContact CE2-CD2 4.39Å; Y101-L105 HydrophobicContact CE2-CG 4.27Å; Y101-L105 WeakPolarHBondContact O-CG 3.34Å; Y101-L105 PolarHBondContact O-N 2.95Å; V102-L105 PolarHBondContact O-N 3.14Å; L105-N108 PolarHBondContact O-N 3.26Å; L105-T109 WeakPolarHBondContact O-CB 3.47Å; L105-T109 PolarHBondContact O-N 3.48Å; L105-T109 PolarHBondContact O-OG1 3.33Å |
| 106 | T | 97.6 | Very high | 97 | Very high | 71 Ų | 71 | 99.9 Ų | 99.9 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | V102 E103 H104 N108 T109 E110 | V102-T106 WeakPolarHBondContact O-CB 3.33Å; V102-T106 PolarHBondContact O-N 3.5Å; V102-T106 PolarHBondContact O-OG1 3.01Å; E103-T106 PolarHBondContact O-N 3.46Å; H104-T106 VanDerWaalsContact C-N 3.31Å; H104-T106 PolarHBondContact O-N 3.38Å; T106-N108 VanDerWaalsContact C-N 3.32Å; T106-N108 PolarHBondContact O-N 2.99Å; T106-T109 WeakPolarHBondContact O-CB 3.35Å; T106-T109 PolarHBondContact O-N 3.37Å; T106-T109 VanDerWaalsContact O-N 3.14Å; T106-E110 PolarHBondContact O-N 3.45Å |
| 107 | T | 97.5 | Very high | 96.8 | Very high | 62 Ų | 62 | 99.2 Ų | 99.2 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | E103 H104 E110 K111 | E103-T107 PolarHBondContact O-N 2.93Å; E103-T107 PolarHBondContact O-OG1 2.89Å; H104-T107 PolarHBondContact O-N 2.9Å; T107-E110 PolarHBondContact O-N 3.46Å; T107-K111 WeakPolarHBondContact O-CG 3.43Å; T107-K111 PolarHBondContact O-N 3.12Å; T107-K111 VanDerWaalsContact O-N 3.16Å |
| 108 | N | 96.3 | Very high | 96.6 | Very high | 90 Ų | 90 | 98.1 Ų | 98.1 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.5 | -168 | 3.4 | 0 | 0 | 0 | 111.4 | H104 L105 T106 E110 K111 L112 | H104-N108 PolarHBondContact O-N 2.92Å; L105-N108 PolarHBondContact O-N 3.26Å; T106-N108 VanDerWaalsContact C-N 3.32Å; T106-N108 PolarHBondContact O-N 2.99Å; N108-E110 VanDerWaalsContact C-N 3.33Å; N108-E110 PolarHBondContact O-N 2.67Å; N108-K111 WeakPolarHBondContact O-CB 3.45Å; N108-K111 PolarHBondContact O-N 2.93Å; N108-L112 PolarHBondContact O-N 3.42Å |
| 109 | T | 96.6 | Very high | 96.2 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.4 | L105 T106 K111 L112 Q113 | L105-T109 WeakPolarHBondContact O-CB 3.47Å; L105-T109 PolarHBondContact O-N 3.48Å; L105-T109 PolarHBondContact O-OG1 3.33Å; T106-T109 WeakPolarHBondContact O-CB 3.35Å; T106-T109 PolarHBondContact O-N 3.37Å; T106-T109 VanDerWaalsContact O-N 3.14Å; T109-K111 PolarHBondContact O-N 3.37Å; T109-L112 PolarHBondContact O-N 3.5Å; T109-Q113 WeakPolarHBondContact O-CB 3.5Å; T109-Q113 PolarHBondContact O-N 2.94Å |
| 110 | E | 96.5 | Very high | 95.8 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 174.4 | -70.5 | 176 | -169.5 | 0 | 0 | 112.8 | T106 T107 N108 Q113 K114 | T106-E110 PolarHBondContact O-N 3.45Å; T107-E110 PolarHBondContact O-N 3.46Å; N108-E110 VanDerWaalsContact C-N 3.33Å; N108-E110 PolarHBondContact O-N 2.67Å; E110-Q113 PolarHBondContact O-N 3.46Å; E110-K114 WeakPolarHBondContact O-CG 3.45Å; E110-K114 PolarHBondContact O-N 3.33Å |
| 111 | K | 96.3 | Very high | 95.3 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 176 | -71.2 | 174 | -178 | 175.6 | 0 | 111.2 | T107 N108 T109 Q113 K114 L115 | T107-K111 WeakPolarHBondContact O-CG 3.43Å; T107-K111 PolarHBondContact O-N 3.12Å; T107-K111 VanDerWaalsContact O-N 3.16Å; N108-K111 WeakPolarHBondContact O-CB 3.45Å; N108-K111 PolarHBondContact O-N 2.93Å; T109-K111 PolarHBondContact O-N 3.37Å; K111-Q113 VanDerWaalsContact C-N 3.32Å; K111-Q113 PolarHBondContact O-N 3.49Å; K111-K114 PolarHBondContact O-N 2.98Å; K111-L115 WeakPolarHBondContact O-CG 3.49Å; K111-L115 PolarHBondContact O-N 3.08Å |
| 112 | L | 95.5 | Very high | 94.6 | Very high | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 177.8 | -175.4 | 61.6 | 0 | 0 | 0 | 111.5 | N108 T109 L115 K116 | N108-L112 PolarHBondContact O-N 3.42Å; T109-L112 PolarHBondContact O-N 3.5Å; L112-L115 PolarHBondContact O-N 2.98Å; L112-K116 WeakPolarHBondContact O-CB 3.49Å; L112-K116 PolarHBondContact O-N 3.28Å |
| 113 | Q | 96.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 93.2 Ų | 93.2 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.8 | -174.9 | 54.9 | 50.3 | 0 | 0 | 111.4 | T109 E110 K111 L115 K116 D117 | T109-Q113 WeakPolarHBondContact O-CB 3.5Å; T109-Q113 PolarHBondContact O-N 2.94Å; E110-Q113 PolarHBondContact O-N 3.46Å; K111-Q113 VanDerWaalsContact C-N 3.32Å; K111-Q113 PolarHBondContact O-N 3.49Å; Q113-L115 VanDerWaalsContact C-N 3.33Å; Q113-L115 PolarHBondContact O-N 2.98Å; Q113-K116 WeakPolarHBondContact O-CB 3.48Å; Q113-K116 PolarHBondContact O-N 3.31Å; Q113-D117 VanDerWaalsContact NE2-CG 3.31Å; Q113-D117 PolarHBondContact NE2-OD1 3.04Å; Q113-D117 PolarHBondContact NE2-OD2 3.22Å; Q113-D117 VanDerWaalsContact NE2-OD2 3.09Å; Q113-D117 VanDerWaalsContact O-CG 3.25Å; Q113-D117 PolarHBondContact O-N 3.45Å |
| 114 | K | 95.4 | Very high | 92.5 | Very high | 143 Ų | 143 | 93 Ų | 93 | 62% | 0.622 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 174.9 | -72.1 | 172.4 | -176.5 | 173.2 | 0 | 112.7 | E110 K111 D117 A118 | E110-K114 WeakPolarHBondContact O-CG 3.45Å; E110-K114 PolarHBondContact O-N 3.33Å; K111-K114 PolarHBondContact O-N 2.98Å; K114-D117 PolarHBondContact O-N 3.46Å; K114-A118 WeakPolarHBondContact O-CB 3.44Å; K114-A118 PolarHBondContact O-N 3.02Å |
| 115 | L | 95.3 | Very high | 91.2 | Very high | 116 Ų | 116 | 90.8 Ų | 90.8 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 175.9 | -76.4 | 168.6 | 0 | 0 | 0 | 111.7 | K111 L112 Q113 D117 A118 V119 | K111-L115 WeakPolarHBondContact O-CG 3.49Å; K111-L115 PolarHBondContact O-N 3.08Å; L112-L115 PolarHBondContact O-N 2.98Å; Q113-L115 VanDerWaalsContact C-N 3.33Å; Q113-L115 PolarHBondContact O-N 2.98Å; L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 3.33Å; L115-A118 PolarHBondContact O-N 3.01Å; L115-V119 WeakPolarHBondContact O-CG2 3.38Å; L115-V119 PolarHBondContact O-N 3.42Å |
| 116 | K | 94.5 | Very high | 89.5 | Confident | 131 Ų | 131 | 89.3 Ų | 89.3 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.9 | -46.8 | 175.3 | 179 | -171.2 | 170.2 | -172.4 | 0 | 111.2 | L112 Q113 V119 Q120 | L112-K116 WeakPolarHBondContact O-CB 3.49Å; L112-K116 PolarHBondContact O-N 3.28Å; Q113-K116 WeakPolarHBondContact O-CB 3.48Å; Q113-K116 PolarHBondContact O-N 3.31Å; K116-V119 PolarHBondContact O-N 3.45Å; K116-Q120 WeakPolarHBondContact O-CB 3.41Å; K116-Q120 PolarHBondContact O-N 3.08Å |
| 117 | D | 94.1 | Very high | 87.5 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | -179.8 | -63.6 | -27.9 | 0 | 0 | 0 | 111.6 | Q113 K114 L115 Q120 A121 | Q113-D117 VanDerWaalsContact NE2-CG 3.31Å; Q113-D117 PolarHBondContact NE2-OD1 3.04Å; Q113-D117 PolarHBondContact NE2-OD2 3.22Å; Q113-D117 VanDerWaalsContact NE2-OD2 3.09Å; Q113-D117 VanDerWaalsContact O-CG 3.25Å; Q113-D117 PolarHBondContact O-N 3.45Å; K114-D117 PolarHBondContact O-N 3.46Å; L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 3.33Å; D117-Q120 PolarHBondContact O-N 3.28Å; D117-A121 WeakPolarHBondContact O-CB 3.37Å; D117-A121 PolarHBondContact O-N 3.23Å |
| 118 | A | 91.6 | Very high | 85.5 | Confident | 62 Ų | 62 | 88.7 Ų | 88.7 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K114 L115 A121 G122 | K114-A118 WeakPolarHBondContact O-CB 3.44Å; K114-A118 PolarHBondContact O-N 3.02Å; L115-A118 PolarHBondContact O-N 3.01Å; A118-A121 PolarHBondContact O-N 3.06Å; A118-G122 PolarHBondContact O-N 3.38Å |
| 119 | V | 91.6 | Very high | 83.5 | Confident | 92 Ų | 92 | 92.5 Ų | 92.5 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 175.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | L115 K116 A121 G122 I123 | L115-V119 WeakPolarHBondContact O-CG2 3.38Å; L115-V119 PolarHBondContact O-N 3.42Å; K116-V119 PolarHBondContact O-N 3.45Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 3.38Å; V119-G122 PolarHBondContact O-N 3.05Å; V119-I123 HydrophobicContact CG1-CD1 3.85Å; V119-I123 HydrophobicContact CG1-CG1 4.47Å; V119-I123 WeakPolarHBondContact O-CG1 3.47Å; V119-I123 PolarHBondContact O-N 2.98Å |
| 120 | Q | 89.4 | Confident | 81.6 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 178.2 | -172.8 | 63.7 | 55.4 | 0 | 0 | 111.7 | K116 D117 G122 I123 N124 | K116-Q120 WeakPolarHBondContact O-CB 3.41Å; K116-Q120 PolarHBondContact O-N 3.08Å; D117-Q120 PolarHBondContact O-N 3.28Å; Q120-G122 PolarHBondContact O-N 2.85Å; Q120-I123 PolarHBondContact O-N 3.39Å; Q120-N124 PolarHBondContact NE2-OD1 2.99Å; Q120-N124 PolarHBondContact O-N 3.39Å; Q120-N124 PolarHBondContact O-ND2 2.72Å; Q120-N124 PolarHBondContact O-OD1 3.03Å |
| 121 | A | 87 | Confident | 79.7 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D117 A118 V119 N124 S125 | D117-A121 WeakPolarHBondContact O-CB 3.37Å; D117-A121 PolarHBondContact O-N 3.23Å; A118-A121 PolarHBondContact O-N 3.06Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 3.38Å; A121-N124 PolarHBondContact O-N 2.93Å; A121-S125 PolarHBondContact O-N 3.42Å; A121-S125 VanDerWaalsContact O-N 3.08Å; A121-S125 PolarHBondContact O-OG 2.87Å |
| 122 | G | 82.7 | Confident | 77.8 | Confident | 41 Ų | 41 | 93.1 Ų | 93.1 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A118 V119 Q120 S125 G126 | A118-G122 PolarHBondContact O-N 3.38Å; V119-G122 PolarHBondContact O-N 3.05Å; Q120-G122 PolarHBondContact O-N 2.85Å; G122-S125 PolarHBondContact O-N 3.09Å; G122-S125 PolarHBondContact O-OG 2.98Å; G122-G126 PolarHBondContact O-N 3.35Å; G122-G126 VanDerWaalsContact O-N 3.12Å |
| 123 | I | 79.2 | Confident | 76 | Confident | 90 Ų | 90 | 95.3 Ų | 95.3 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174.9 | -67.3 | 166.7 | 0 | 0 | 0 | 110.6 | V119 Q120 S125 G126 T127 | V119-I123 HydrophobicContact CG1-CD1 3.85Å; V119-I123 HydrophobicContact CG1-CG1 4.47Å; V119-I123 WeakPolarHBondContact O-CG1 3.47Å; V119-I123 PolarHBondContact O-N 2.98Å; Q120-I123 PolarHBondContact O-N 3.39Å; I123-S125 PolarHBondContact O-N 3.16Å; I123-G126 PolarHBondContact O-N 2.93Å; I123-T127 WeakPolarHBondContact O-CB 3.41Å; I123-T127 PolarHBondContact O-N 3.28Å; I123-T127 PolarHBondContact O-OG1 3.32Å |
| 124 | N | 74.7 | Confident | 74.1 | Confident | 91 Ų | 91 | 100 Ų | 100 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -37.3 | -179.4 | -65.7 | -18.4 | 0 | 0 | 0 | 112.2 | Q120 A121 A128 | Q120-N124 PolarHBondContact NE2-OD1 2.99Å; Q120-N124 PolarHBondContact O-N 3.39Å; Q120-N124 PolarHBondContact O-ND2 2.72Å; Q120-N124 PolarHBondContact O-OD1 3.03Å; A121-N124 PolarHBondContact O-N 2.93Å; N124-A128 PolarHBondContact O-N 2.76Å |
| 125 | S | 70 | Confident | 72.3 | Confident | 75 Ų | 75 | 101.2 Ų | 101.2 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.1 | -37.7 | 176.8 | 64 | 0 | 0 | 0 | 0 | 112.9 | A121 G122 I123 A128 M129 | A121-S125 PolarHBondContact O-N 3.42Å; A121-S125 VanDerWaalsContact O-N 3.08Å; A121-S125 PolarHBondContact O-OG 2.87Å; G122-S125 PolarHBondContact O-N 3.09Å; G122-S125 PolarHBondContact O-OG 2.98Å; I123-S125 PolarHBondContact O-N 3.16Å; S125-A128 PolarHBondContact O-N 2.66Å; S125-M129 PolarHBondContact O-N 3.2Å |
| 126 | G | 61.7 | Low | 70.9 | Confident | 41 Ų | 41 | 100.1 Ų | 100.1 | 42% | 0.423 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -32.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G122 I123 M129 S130 | G122-G126 PolarHBondContact O-N 3.35Å; G122-G126 VanDerWaalsContact O-N 3.12Å; I123-G126 PolarHBondContact O-N 2.93Å; G126-M129 PolarHBondContact O-N 3.41Å; G126-S130 PolarHBondContact O-N 3Å; G126-S130 PolarHBondContact O-OG 3.01Å |
| 127 | T | 56.5 | Low | 69.5 | Low | 51 Ų | 51 | 97.6 Ų | 97.6 | 31% | 0.313 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.2 | -28.3 | 176.1 | -51.4 | 0 | 0 | 0 | 0 | 112 | I123 S130 R131 | I123-T127 WeakPolarHBondContact O-CB 3.41Å; I123-T127 PolarHBondContact O-N 3.28Å; I123-T127 PolarHBondContact O-OG1 3.32Å; T127-S130 WeakPolarHBondContact CA-OG 3.37Å; T127-S130 PolarHBondContact O-OG 2.89Å; T127-R131 WeakPolarHBondContact O-CG 3.46Å |
| 128 | A | 55.5 | Low | 67.9 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.8 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N124 S125 | N124-A128 PolarHBondContact O-N 2.76Å; S125-A128 PolarHBondContact O-N 2.66Å |
| 129 | M | 53.8 | Low | 66.5 | Low | 169 Ų | 169 | 103.6 Ų | 103.6 | 83% | 0.833 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.2 | -30.6 | 177.5 | -80.6 | -91.3 | -166.2 | 0 | 0 | 113.6 | S125 G126 | S125-M129 PolarHBondContact O-N 3.2Å; G126-M129 PolarHBondContact O-N 3.41Å |
| 130 | S | 55.6 | Low | 65 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -87.8 | -13.2 | -174.3 | 38.4 | 0 | 0 | 0 | 0 | 114.6 | G126 T127 G132 | G126-S130 PolarHBondContact O-N 3Å; G126-S130 PolarHBondContact O-OG 3.01Å; T127-S130 WeakPolarHBondContact CA-OG 3.37Å; T127-S130 PolarHBondContact O-OG 2.89Å; S130-G132 PolarHBondContact O-N 3.37Å |
| 131 | R | 57.2 | Low | 63.9 | Low | 203 Ų | 203 | 112.3 Ų | 112.3 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -13.6 | 174 | -71.4 | -179.5 | -151.1 | -102.8 | 6 | 114 | T127 | T127-R131 WeakPolarHBondContact O-CG 3.46Š|
| 132 | G | 56.8 | Low | 62.5 | Low | 66 Ų | 66 | 111.8 Ų | 111.8 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -11 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S130 | S130-G132 PolarHBondContact O-N 3.37Š|
| 133 | L | 57.2 | Low | 61.3 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 84% | 0.843 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -127.6 | 13.6 | -170.5 | -137.5 | 82.4 | 0 | 0 | 0 | 114.5 | ||
| 134 | Y | 55.5 | Low | 60.5 | Low | 187 Ų | 187 | 124.4 Ų | 124.4 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | trans | -104.7 | 98.2 | 170.3 | -160.8 | -96.4 | 0 | 0 | 0 | 108.8 | P136 | Y134-P136 WeakPolarHBondContact O-CD 3.31Š| ||
| 135 | Q | 59.3 | Low | 58.9 | Low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -73.7 | 121.9 | 161.9 | -66.1 | -65.6 | -30.4 | 0 | 0 | 106.7 | A137 | Q135-A137 PolarHBondContact O-N 3.33Š| ||
| 136 | P | 64.4 | Low | 58.5 | Low | 92 Ų | 92 | 129.7 Ų | 129.7 | 60% | 0.597 | 70% | 0.7 | S | S | * | * | trans | -58.8 | 112.7 | 170.6 | -17.6 | 29.8 | 0 | 0 | 0 | 107.8 | Y134 T138 | Y134-P136 WeakPolarHBondContact O-CD 3.31Å; P136-T138 VanDerWaalsContact C-N 3.28Å; P136-T138 PolarHBondContact O-N 3.41Å | ||
| 137 | A | 64.9 | Low | 57.9 | Low | 79 Ų | 79 | 131.6 Ų | 131.6 | 65% | 0.653 | 71% | 0.712 | S | S | * | * | trans | -66.6 | 96.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q135 I139 | Q135-A137 PolarHBondContact O-N 3.33Å; A137-I139 HydrophobicContact CB-CG1 4.36Å; A137-I139 PolarHBondContact O-N 3.33Å | ||
| 138 | T | 61.7 | Low | 57.1 | Low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | -67 | 82.1 | 166.1 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | P136 F140 | P136-T138 VanDerWaalsContact C-N 3.28Å; P136-T138 PolarHBondContact O-N 3.41Å; T138-F140 PolarHBondContact O-N 2.98Å | ||
| 139 | I | 62.4 | Low | 56.9 | Low | 140 Ų | 140 | 140 Ų | 140 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -73.9 | 109.6 | 165 | -53.6 | 176.8 | 0 | 0 | 0 | 105.3 | A137 M141 | A137-I139 HydrophobicContact CB-CG1 4.36Å; A137-I139 PolarHBondContact O-N 3.33Å; I139-M141 VanDerWaalsContact C-N 3.33Å; I139-M141 PolarHBondContact O-N 2.89Å | ||
| 140 | F | 60.3 | Low | 56.8 | Low | 194 Ų | 194 | 137.6 Ų | 137.6 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -58.1 | 92 | 173.8 | 176.1 | -99 | 0 | 0 | 0 | 109.5 | T138 G142 | T138-F140 PolarHBondContact O-N 2.98Å; F140-G142 PolarHBondContact O-N 3.29Å; F140-G142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | M | 66.1 | Low | 56.7 | Low | 179 Ų | 179 | 141.4 Ų | 141.4 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -80.6 | 89 | 169.6 | -67 | -148.4 | -47.2 | 0 | 0 | 108.3 | I139 | I139-M141 VanDerWaalsContact C-N 3.33Å; I139-M141 PolarHBondContact O-N 2.89Å | ||
| 142 | G | 58.2 | Low | 56 | Low | 48 Ų | 48 | 140.5 Ų | 140.5 | 50% | 0.495 | 77% | 0.77 | S | S | . | * | trans | -61.7 | 151.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | F140 | F140-G142 PolarHBondContact O-N 3.29Å; F140-G142 VanDerWaalsContact O-N 3.13Å | ||
| 143 | R | 56.8 | Low | 55.3 | Low | 224 Ų | 224 | 143.6 Ų | 143.6 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 86.1 | 93.5 | 166.8 | -152.2 | 169.8 | -170.4 | -95.6 | 1.3 | 117.3 | ||||
| 144 | Q | 61.4 | Low | 54.6 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -44.5 | 130.5 | 157.1 | -71.5 | -81.2 | 23.3 | 0 | 0 | 113 | ||||
| 145 | M | 42.3 | Very low | 54.3 | Low | 163 Ų | 163 | 141.4 Ų | 141.4 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | trans | -121.6 | 114.2 | 147.5 | -70.2 | -151.3 | -43.6 | 0 | 0 | 108.1 | ||||
| 146 | S | 60.5 | Low | 53.3 | Low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -71.5 | 135.4 | 160.5 | -77.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 147 | A | 49.3 | Very low | 52.3 | Low | 82 Ų | 82 | 144 Ų | 144 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | 174.3 | 150.4 | 96.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 148 | I | 39.9 | Very low | 50.9 | Low | 176 Ų | 176 | 148.2 Ų | 148.2 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | 74.7 | 127.2 | 156.6 | 46.4 | 175.4 | 0 | 0 | 0 | 120.8 | ||||
| 149 | S | 51.1 | Low | 49.8 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -80.4 | 149.8 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 150 | S | 52.1 | Low | 48.9 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 126.8 | 139.3 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 151 | I | 53.3 | Low | 47.9 | Very low | 149 Ų | 149 | 147 Ų | 147 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -66.7 | 131.9 | 170.4 | -83.4 | 163.4 | 0 | 0 | 0 | 108.9 | ||||
| 152 | E | 42 | Very low | 46.7 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 171.8 | 93.8 | 140.7 | -96.3 | 172.9 | -179.6 | 0 | 0 | 111.6 | ||||
| 153 | D | 43.5 | Very low | 46.1 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | 31.9 | 122.1 | 117.6 | -85.2 | -2.1 | 0 | 0 | 0 | 123 | |||||
| 154 | F | 41.9 | Very low | 45.7 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | 82.4 | 128 | 146.9 | -58.3 | -65.6 | 0 | 0 | 0 | 123.7 | ||||
| 155 | S | 48 | Very low | 45 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 71.7 | 99.3 | 150.5 | -93.2 | 0 | 0 | 0 | 0 | 119.5 | E157 | S155-E157 PolarHBondContact O-N 2.95Š| ||
| 156 | T | 39.4 | Very low | 45.1 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 105.7 | 155.4 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | L158 | T156-L158 PolarHBondContact O-N 3.46Š| ||
| 157 | E | 42.8 | Very low | 44.3 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -46 | 118 | 155.1 | -170 | -178 | 178.4 | 0 | 0 | 111.4 | S155 | S155-E157 PolarHBondContact O-N 2.95Š| ||
| 158 | L | 37 | Very low | 44.5 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -111.7 | 107.4 | 170.1 | -149.9 | 142.5 | 0 | 0 | 0 | 109 | T156 | T156-L158 PolarHBondContact O-N 3.46Š| ||
| 159 | K | 38 | Very low | 44.8 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -55 | 135.1 | -176 | -84.1 | 174.8 | 167.6 | 173.5 | 0 | 113.3 | ||||
| 160 | S | 42.7 | Very low | 44.9 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 135.9 | 170.1 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 161 | N | 39.4 | Very low | 44.9 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -122.5 | 100.6 | 154.7 | -79.1 | -34.6 | 0 | 0 | 0 | 108 | ||||
| 162 | Q | 42.1 | Very low | 44.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -102.4 | 124 | 172.8 | -84.1 | -98.3 | -5 | 0 | 0 | 108.7 | T164 | Q162-T164 PolarHBondContact O-N 3.16Š| ||
| 163 | P | 44.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 108.9 | 163.5 | -2.6 | 20.2 | 0 | 0 | 0 | 109.3 | K165 | P163-K165 PolarHBondContact O-N 3.11Š| ||
| 164 | T | 49 | Very low | 45.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -57.5 | 108.5 | 173.7 | -40.8 | 0 | 0 | 0 | 0 | 111.5 | Q162 N166 | Q162-T164 PolarHBondContact O-N 3.16Å; T164-N166 WeakPolarHBondContact CG2-ND2 3.12Å | ||
| 165 | K | 45.6 | Very low | 46 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -130.2 | 87.6 | 157.4 | -83.8 | -176.2 | 178.8 | 173.1 | 0 | 108.8 | P163 F167 | P163-K165 PolarHBondContact O-N 3.11Å; K165-F167 PolarHBondContact O-N 2.86Å | ||
| 166 | N | 44.7 | Very low | 45.9 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 109.3 | 166.9 | -67.3 | -60.5 | 0 | 0 | 0 | 108 | T164 S168 | T164-N166 WeakPolarHBondContact CG2-ND2 3.12Å; N166-S168 PolarHBondContact O-N 3Å | ||
| 167 | F | 44.1 | Very low | 46.3 | Very low | 182 Ų | 182 | 148 Ų | 148 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -80.9 | 109.7 | 157 | -72.2 | -77.5 | 0 | 0 | 0 | 107 | K165 I169 | K165-F167 PolarHBondContact O-N 2.86Å; F167-I169 PolarHBondContact O-N 3.42Å | ||
| 168 | S | 52.6 | Low | 46.3 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -62.7 | 112.5 | 171.8 | -174 | 0 | 0 | 0 | 0 | 108.7 | N166 S170 | N166-S168 PolarHBondContact O-N 3Å; S168-S170 PolarHBondContact O-N 3.25Å | ||
| 169 | I | 47.1 | Very low | 46.5 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | -76.7 | 115.1 | 164.1 | -59.8 | 172.7 | 0 | 0 | 0 | 105.4 | F167 D171 | F167-I169 PolarHBondContact O-N 3.42Å; I169-D171 PolarHBondContact O-N 3.27Å | ||
| 170 | S | 53.5 | Low | 46.9 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -61 | 125.7 | 172.1 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | S168 | S168-S170 PolarHBondContact O-N 3.25Š| ||
| 171 | D | 51.8 | Low | 47 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 63% | 0.631 | 78% | 0.781 | S | S | * | * | trans | -60.3 | 125.1 | 169.1 | -177.5 | 1.1 | 0 | 0 | 0 | 110 | I169 H173 | I169-D171 PolarHBondContact O-N 3.27Å; D171-H173 PolarHBondContact O-N 3.43Å; D171-H173 PolarHBondContact OD1-N 3.01Å | ||
| 172 | P | 52.7 | Low | 47.4 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -75.5 | 0.8 | 174.5 | -10 | 26.9 | 0 | 0 | 0 | 113.9 | ||
| 173 | H | 57.1 | Low | 47.6 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -121 | 73.5 | -176.5 | -87.4 | -41.7 | 0 | 0 | 0 | 113.9 | D171 | D171-H173 PolarHBondContact O-N 3.43Å; D171-H173 PolarHBondContact OD1-N 3.01Å | ||
| 174 | S | 47.9 | Very low | 47.6 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -157 | 95.7 | 146.7 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 175 | H | 46.3 | Very low | 47.7 | Very low | 190 Ų | 190 | 138 Ų | 138 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | -153.9 | 100.4 | 134.9 | -87.3 | -42.9 | 0 | 0 | 0 | 108.6 | ||||
| 176 | Q | 46 | Very low | 47.3 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 133.9 | 157.3 | -77.8 | -178.1 | -9.3 | 0 | 0 | 109.4 | ||||
| 177 | Q | 47.2 | Very low | 47.8 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 58.1 | 115.7 | 149 | -70.5 | 178 | -32.5 | 0 | 0 | 119.7 | ||||
| 178 | T | 43.1 | Very low | 48.1 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | -163.3 | 102.1 | 99.8 | -67 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 179 | A | 41.6 | Very low | 47.9 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -117.4 | 112.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | S181 | A179-S181 PolarHBondContact O-N 2.76Š| ||
| 180 | Q | 45 | Very low | 48.1 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -55 | 108.2 | 174.8 | -71.8 | -172.8 | -20.4 | 0 | 0 | 108.6 | S182 | Q180-S182 PolarHBondContact O-N 3.43Š| ||
| 181 | S | 45 | Very low | 47.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -73.9 | 106.1 | 164.6 | 84 | 0 | 0 | 0 | 0 | 105.8 | A179 C183 | A179-S181 PolarHBondContact O-N 2.76Å; S181-C183 VanDerWaalsContact C-N 3.3Å; S181-C183 PolarHBondContact O-N 3.28Å | ||
| 182 | S | 47.6 | Very low | 47.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -68 | 95.4 | 167.5 | 46.3 | 0 | 0 | 0 | 0 | 108.1 | Q180 V184 | Q180-S182 PolarHBondContact O-N 3.43Å; S182-V184 VanDerWaalsContact C-N 3.28Å; S182-V184 PolarHBondContact O-N 3.42Å | ||
| 183 | C | 47.3 | Very low | 47.4 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -67.5 | 89.9 | 163.5 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | S181 T185 | S181-C183 VanDerWaalsContact C-N 3.3Å; S181-C183 PolarHBondContact O-N 3.28Å; C183-T185 PolarHBondContact O-N 2.91Å | ||
| 184 | V | 44.4 | Very low | 46.9 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -91.6 | 89.8 | 157.1 | -176 | 0 | 0 | 0 | 0 | 106.3 | S182 D186 | S182-V184 VanDerWaalsContact C-N 3.28Å; S182-V184 PolarHBondContact O-N 3.42Å; V184-D186 PolarHBondContact O-N 3.33Å | ||
| 185 | T | 51 | Low | 47.2 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -55.8 | 111.2 | 154.7 | -50.5 | 0 | 0 | 0 | 0 | 106.9 | C183 | C183-T185 PolarHBondContact O-N 2.91Š| ||
| 186 | D | 38.1 | Very low | 47.6 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -128.1 | 98.2 | 156 | -131.2 | -0.4 | 0 | 0 | 0 | 108.4 | V184 C188 | V184-D186 PolarHBondContact O-N 3.33Å; D186-C188 PolarHBondContact O-N 3.11Å | ||
| 187 | S | 54.6 | Low | 47.8 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -68.8 | 104.5 | 174.1 | 158.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 188 | C | 50.9 | Low | 47.8 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -117.2 | 75.8 | 153 | -80 | 0 | 0 | 0 | 0 | 108.6 | D186 V190 | D186-C188 PolarHBondContact O-N 3.11Å; C188-V190 PolarHBondContact O-N 3.03Å; C188-V190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | V | 47.5 | Very low | 48.2 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 99.6 | 156.7 | 175.8 | 0 | 0 | 0 | 0 | 106.8 | Q191 | V189-Q191 HydrophobicContact CG1-CB 4.43Š| ||
| 190 | V | 51.2 | Low | 48.7 | Very low | 117 Ų | 117 | 128 Ų | 128 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | -103.9 | 99.2 | 155.3 | 174.1 | 0 | 0 | 0 | 0 | 106.2 | C188 T192 | C188-V190 PolarHBondContact O-N 3.03Å; C188-V190 VanDerWaalsContact O-N 3.08Å; V190-T192 HydrophobicContact CG1-CG2 4.2Å; V190-T192 PolarHBondContact O-N 2.95Å; V190-T192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | Q | 46.6 | Very low | 49.2 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | trans | -64.9 | 97.8 | 173 | -166 | 173.6 | 19 | 0 | 0 | 108.4 | V189 N193 | V189-Q191 HydrophobicContact CG1-CB 4.43Å; Q191-N193 PolarHBondContact O-N 2.68Å | ||
| 192 | T | 46.9 | Very low | 50 | Low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -91.3 | 95 | 167.3 | 56.8 | 0 | 0 | 0 | 0 | 108 | V190 G194 | V190-T192 HydrophobicContact CG1-CG2 4.2Å; V190-T192 PolarHBondContact O-N 2.95Å; V190-T192 VanDerWaalsContact O-N 3.08Å; T192-G194 PolarHBondContact O-N 3.26Å | ||
| 193 | N | 49.4 | Very low | 50.6 | Low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -68.2 | 99.9 | 165.5 | -62.8 | -24.5 | 0 | 0 | 0 | 107.4 | Q191 | Q191-N193 PolarHBondContact O-N 2.68Š| ||
| 194 | G | 47.9 | Very low | 51.3 | Low | 66 Ų | 66 | 134.7 Ų | 134.7 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | -113.6 | 75.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T192 T196 | T192-G194 PolarHBondContact O-N 3.26Å; G194-T196 PolarHBondContact O-N 2.88Å; G194-T196 VanDerWaalsContact O-N 3.16Å | ||
| 195 | D | 52.8 | Low | 52.1 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -73.4 | 95.5 | 161.9 | -93.6 | -26.7 | 0 | 0 | 0 | 108.2 | ||||
| 196 | T | 56 | Low | 52.2 | Low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -120.4 | 97.5 | 156.7 | 47.7 | 0 | 0 | 0 | 0 | 107.7 | G194 C198 | G194-T196 PolarHBondContact O-N 2.88Å; G194-T196 VanDerWaalsContact O-N 3.16Å; T196-C198 PolarHBondContact O-N 2.97Å; T196-C198 VanDerWaalsContact O-N 3.17Å | ||
| 197 | Q | 48.7 | Very low | 52.5 | Low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -58.5 | 113.6 | 166.4 | -77.2 | 179.5 | 8.3 | 0 | 0 | 108.8 | L199 | Q197-L199 PolarHBondContact O-N 2.88Å; Q197-L199 VanDerWaalsContact O-N 3.16Å | ||
| 198 | C | 48.7 | Very low | 52.4 | Low | 117 Ų | 117 | 143 Ų | 143 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -72.5 | 100.4 | 165.9 | 12.1 | 0 | 0 | 0 | 0 | 108.1 | T196 N200 | T196-C198 PolarHBondContact O-N 2.97Å; T196-C198 VanDerWaalsContact O-N 3.17Å; C198-N200 PolarHBondContact O-N 2.88Å; C198-N200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | L | 50 | Low | 52.5 | Low | 144 Ų | 144 | 144.3 Ų | 144.3 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | trans | -67.8 | 106.4 | 167.4 | -75.1 | 170.4 | 0 | 0 | 0 | 108.8 | Q197 K201 | Q197-L199 PolarHBondContact O-N 2.88Å; Q197-L199 VanDerWaalsContact O-N 3.16Å; L199-K201 PolarHBondContact O-N 2.81Å | ||
| 200 | N | 53.8 | Low | 52.7 | Low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -64.8 | 119.1 | 162 | -73 | -51.4 | 0 | 0 | 0 | 108.7 | C198 | C198-N200 PolarHBondContact O-N 2.88Å; C198-N200 VanDerWaalsContact O-N 3.13Å | ||
| 201 | K | 55.1 | Low | 52.8 | Low | 179 Ų | 179 | 147.5 Ų | 147.5 | 78% | 0.778 | 84% | 0.835 | S | S | * | * | trans | -123.4 | 111.4 | 155.8 | -70.2 | -168.8 | 178.2 | -176.7 | 0 | 107.6 | L199 | L199-K201 PolarHBondContact O-N 2.81Š| ||
| 202 | S | 61.6 | Low | 53.2 | Low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | trans | -84.4 | 113.4 | 168.5 | -54 | 0 | 0 | 0 | 0 | 107.5 | K204 | S202-K204 PolarHBondContact O-N 2.82Š| ||
| 203 | D | 59.9 | Low | 53.6 | Low | 151 Ų | 151 | 148.8 Ų | 148.8 | 81% | 0.807 | 85% | 0.849 | S | S | * | * | trans | -77 | 112.7 | 167.8 | -71.9 | -33.3 | 0 | 0 | 0 | 108.6 | I205 | D203-I205 PolarHBondContact O-N 2.91Š| ||
| 204 | K | 61.3 | Low | 53.9 | Low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 86% | 0.856 | S | S | * | * | trans | -69.5 | 120.4 | 165.7 | -82.4 | 178 | 172.7 | 178.5 | 0 | 108 | S202 H206 | S202-K204 PolarHBondContact O-N 2.82Å; K204-H206 PolarHBondContact O-N 3.42Å | ||
| 205 | I | 62.4 | Low | 54.4 | Low | 163 Ų | 163 | 155.9 Ų | 155.9 | 84% | 0.836 | 87% | 0.87 | S | S | * | * | trans | -74.1 | 119.4 | 166.5 | -52.3 | 174.4 | 0 | 0 | 0 | 107.3 | D203 | D203-I205 PolarHBondContact O-N 2.91Š| ||
| 206 | H | 51.9 | Low | 54.5 | Low | 198 Ų | 198 | 155.3 Ų | 155.3 | 92% | 0.917 | 87% | 0.87 | S | S | * | * | trans | -143.8 | 125.7 | 157.7 | -150.1 | 38.1 | 0 | 0 | 0 | 109.4 | K204 | K204-H206 PolarHBondContact O-N 3.42Š| ||
| 207 | G | 45 | Very low | 54.4 | Low | 144 Ų | 144 | 158.1 Ų | 158.1 | 100% | 1.485 | 88% | 0.879 | S | S | * | * | trans | 135.2 | 0 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 207 of 207 residues in 419.9 ms
(Link to these results)