| 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 | 44.9 | Very low | 49 | Very low | 243 Ų | 243 | 164.1 Ų | 164.1 | 100% | 1.197 | 87% | 0.868 | S | S | * | * | 0 | 107.6 | 0 | -65.2 | -58.5 | -132 | 0 | 0 | 107.7 | |||||
| 2 | S | 51.3 | Low | 48.5 | Very low | 129 Ų | 129 | 158.7 Ų | 158.7 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 134.9 | -173.5 | -152.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 3 | L | 56.3 | Low | 48 | Very low | 156 Ų | 156 | 160.6 Ų | 160.6 | 82% | 0.817 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 144.1 | 178.8 | -66.2 | 171.1 | 0 | 0 | 0 | 110.6 | K5 | L3-K5 PolarHBondContact O-N 3.46Š|
| 4 | P | 50.9 | Low | 47.6 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 127.8 | 178.5 | 30.3 | -31.1 | 0 | 0 | 0 | 109.9 | ||
| 5 | K | 50.3 | Low | 47.1 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | trans | -92.9 | 112 | 175.2 | -167.2 | 163.4 | -172.9 | 171.7 | 0 | 108.1 | L3 Q7 | L3-K5 PolarHBondContact O-N 3.46Å; K5-Q7 PolarHBondContact O-N 3.01Å | ||
| 6 | I | 57.5 | Low | 46.8 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 77% | 0.774 | 84% | 0.842 | S | S | * | * | trans | -79.4 | 116.5 | 176.9 | -61.1 | 167.9 | 0 | 0 | 0 | 107.6 | ||||
| 7 | Q | 44.7 | Very low | 46.4 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -87.8 | 126.9 | 168.2 | -78 | 173.3 | -43.2 | 0 | 0 | 108.5 | K5 | K5-Q7 PolarHBondContact O-N 3.01Š| ||
| 8 | I | 49.8 | Very low | 46.5 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | -98.8 | 109.7 | 171 | -58.6 | 170.4 | 0 | 0 | 0 | 105.7 | ||||
| 9 | E | 45.3 | Very low | 46.1 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | trans | -73.3 | 119.5 | 167.5 | -86 | -179.8 | 147.7 | 0 | 0 | 109 | A11 | E9-A11 PolarHBondContact O-N 3.27Š| ||
| 10 | E | 46.4 | Very low | 46.1 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | trans | -72.2 | 107.7 | 161.9 | -78.7 | -165.7 | 150.5 | 0 | 0 | 108.8 | S12 | E10-S12 PolarHBondContact O-N 3.06Š| ||
| 11 | A | 41.1 | Very low | 46 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -79.4 | 95.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | E9 | E9-A11 PolarHBondContact O-N 3.27Š| ||
| 12 | S | 44 | Very low | 46.5 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | -87.2 | 161.1 | 154.6 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | E10 | E10-S12 PolarHBondContact O-N 3.06Š| ||
| 13 | E | 40.8 | Very low | 46.7 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 90.7 | 132.7 | -174.2 | -62.6 | -175.6 | 161.5 | 0 | 0 | 115.3 | ||||
| 14 | S | 43 | Very low | 47 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | cis | -172.9 | 128.2 | -5.6 | 42.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 15 | T | 40 | Very low | 47.5 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -140.8 | 95.1 | 152.3 | 45.2 | 0 | 0 | 0 | 0 | 107.1 | T17 | T15-T17 PolarHBondContact O-N 2.86Å; T15-T17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | D | 42 | Very low | 48.2 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -54.8 | 109.9 | 156.8 | -77.1 | -40.1 | 0 | 0 | 0 | 108.6 | ||||
| 17 | T | 40.5 | Very low | 49.4 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -140.9 | 92.3 | 148.2 | 13.8 | 0 | 0 | 0 | 0 | 107.3 | T15 S19 | T15-T17 PolarHBondContact O-N 2.86Å; T15-T17 VanDerWaalsContact O-N 3.12Å; T17-S19 PolarHBondContact O-N 3.43Å | ||
| 18 | S | 47.3 | Very low | 51.4 | Low | 129 Ų | 129 | 118.2 Ų | 118.2 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | -49.8 | 105.5 | 151.7 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 19 | S | 39.4 | Very low | 53.4 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -163.5 | 104.6 | 146.2 | -159.9 | 0 | 0 | 0 | 0 | 108.7 | T17 G21 | T17-S19 PolarHBondContact O-N 3.43Å; S19-G21 PolarHBondContact O-N 2.81Å | ||
| 20 | G | 46.6 | Very low | 55.5 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 92% | 0.918 | 70% | 0.7 | S | S | * | * | trans | -60.1 | 107 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 21 | G | 42.9 | Very low | 57.7 | Low | 53 Ų | 53 | 108.7 Ų | 108.7 | 55% | 0.546 | 69% | 0.685 | S | S | . | * | trans | -152.3 | 112.2 | 166 | 0 | 0 | 0 | 0 | 0 | 106.6 | S19 V23 | S19-G21 PolarHBondContact O-N 2.81Å; G21-V23 VanDerWaalsContact C-N 3.31Å; G21-V23 PolarHBondContact O-N 3.03Å | ||
| 22 | A | 56.8 | Low | 60 | Low | 104 Ų | 104 | 107.4 Ų | 107.4 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | trans | -56.8 | 100.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | P24 | A22-P24 WeakPolarHBondContact O-CD 3.49Š| ||
| 23 | V | 55.7 | Low | 62.3 | Low | 105 Ų | 105 | 109.7 Ų | 109.7 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -58.3 | 121.7 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 106.7 | G21 D27 | G21-V23 VanDerWaalsContact C-N 3.31Å; G21-V23 PolarHBondContact O-N 3.03Å; V23-D27 HydrophobicContact CG1-CB 3.78Å | ||
| 24 | P | 61.7 | Low | 64.8 | Low | 70 Ų | 70 | 103.6 Ų | 103.6 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | trans | -55.1 | 135.6 | 176.4 | -22.4 | 32.3 | 0 | 0 | 0 | 108.7 | A22 D26 D27 | A22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-D26 HydrophobicContact CB-CB 4.36Å; P24-D26 PolarHBondContact O-N 3.04Å; P24-D27 PolarHBondContact O-N 3.12Å | ||
| 25 | P | 61.8 | Low | 67.1 | Low | 114 Ų | 114 | 103.6 Ų | 103.6 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.3 | -17.5 | 178.6 | 23 | -33.7 | 0 | 0 | 0 | 113 | D27 | P25-D27 VanDerWaalsContact C-N 3.34Å; P25-D27 PolarHBondContact O-N 3Å |
| 26 | D | 64.4 | Low | 69.5 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 43% | 0.433 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.2 | -32.8 | 175.3 | -129.5 | 36.8 | 0 | 0 | 0 | 113.6 | P24 L29 R30 | P24-D26 HydrophobicContact CB-CB 4.36Å; P24-D26 PolarHBondContact O-N 3.04Å; D26-L29 PolarHBondContact O-N 3.49Å; D26-R30 VanDerWaalsContact O-CG 3.24Å; D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-N 3.38Å; D26-R30 IonicContact OD2-CZ 3.56Å; D26-R30 IonicContact OD2-NE 3.43Å; D26-R30 PolarHBondContact OD2-NE 3.5Å; D26-R30 IonicContact OD2-NH2 2.86Å; D26-R30 PolarHBondContact OD2-NH2 3.13Å |
| 27 | D | 82.4 | Confident | 71.7 | Confident | 74 Ų | 74 | 99.7 Ų | 99.7 | 40% | 0.396 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.1 | -33.9 | -178.6 | -75.2 | -17.4 | 0 | 0 | 0 | 112.1 | V23 P24 P25 S31 | V23-D27 HydrophobicContact CG1-CB 3.78Å; P24-D27 PolarHBondContact O-N 3.12Å; P25-D27 VanDerWaalsContact C-N 3.34Å; P25-D27 PolarHBondContact O-N 3Å; D27-S31 WeakPolarHBondContact O-CB 3.48Å; D27-S31 PolarHBondContact O-N 3.33Å; D27-S31 PolarHBondContact O-OG 3.39Å |
| 28 | H | 88.1 | Confident | 74.3 | Confident | 126 Ų | 126 | 102.3 Ų | 102.3 | 58% | 0.583 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68 | -42.3 | 176.6 | -172.3 | 63 | 0 | 0 | 0 | 111.5 | S31 L32 | H28-S31 PolarHBondContact O-N 3.22Å; H28-L32 WeakPolarHBondContact NE2-CD1 3.4Å; H28-L32 WeakPolarHBondContact O-CB 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.24Å; H28-L32 PolarHBondContact O-N 3.39Å |
| 29 | L | 90.5 | Very high | 76.3 | Confident | 97 Ų | 97 | 100.9 Ų | 100.9 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -39.7 | 176.8 | -70.2 | 176.4 | 0 | 0 | 0 | 112.1 | D26 L32 K33 | D26-L29 PolarHBondContact O-N 3.49Å; L29-L32 PolarHBondContact O-N 3.25Å; L29-K33 WeakPolarHBondContact O-CB 3.45Å; L29-K33 VanDerWaalsContact O-CG 3.3Å; L29-K33 WeakPolarHBondContact O-CG 3.24Å; L29-K33 PolarHBondContact O-N 3.19Å |
| 30 | R | 90.3 | Very high | 78.3 | Confident | 153 Ų | 153 | 106 Ų | 106 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.2 | -44 | 174.8 | -71.5 | 171.1 | -168.7 | -146.9 | 6.4 | 111.6 | D26 K33 A34 | D26-R30 VanDerWaalsContact O-CG 3.24Å; D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-N 3.38Å; D26-R30 IonicContact OD2-CZ 3.56Å; D26-R30 IonicContact OD2-NE 3.43Å; D26-R30 PolarHBondContact OD2-NE 3.5Å; D26-R30 IonicContact OD2-NH2 2.86Å; D26-R30 PolarHBondContact OD2-NH2 3.13Å; R30-K33 PolarHBondContact O-N 2.94Å; R30-A34 WeakPolarHBondContact O-CB 3.26Å; R30-A34 PolarHBondContact O-N 3.25Å |
| 31 | S | 92.4 | Very high | 80 | Confident | 75 Ų | 75 | 107.1 Ų | 107.1 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.5 | -43.3 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | D27 H28 A34 L35 | D27-S31 WeakPolarHBondContact O-CB 3.48Å; D27-S31 PolarHBondContact O-N 3.33Å; D27-S31 PolarHBondContact O-OG 3.39Å; H28-S31 PolarHBondContact O-N 3.22Å; S31-A34 PolarHBondContact O-N 3.42Å; S31-L35 WeakPolarHBondContact O-CB 3.36Å; S31-L35 PolarHBondContact O-N 3.32Å |
| 32 | L | 89.8 | Confident | 81.8 | Confident | 75 Ų | 75 | 112.7 Ų | 112.7 | 39% | 0.393 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.2 | -46.1 | 174.4 | -79.7 | 172.1 | 0 | 0 | 0 | 111.8 | H28 L29 A34 L35 T36 | H28-L32 WeakPolarHBondContact NE2-CD1 3.4Å; H28-L32 WeakPolarHBondContact O-CB 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.24Å; H28-L32 PolarHBondContact O-N 3.39Å; L29-L32 PolarHBondContact O-N 3.25Å; L32-A34 PolarHBondContact O-N 2.98Å; L32-L35 PolarHBondContact O-N 3.32Å; L32-T36 VanDerWaalsContact O-CG2 3.32Å; L32-T36 WeakPolarHBondContact O-CG2 3.3Å; L32-T36 PolarHBondContact O-N 3.49Å; L32-T36 PolarHBondContact O-OG1 2.96Å |
| 33 | K | 91.5 | Very high | 82.9 | Confident | 148 Ų | 148 | 110.8 Ų | 110.8 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57 | -50.4 | 176.1 | -78 | 176.4 | -180 | -179.8 | 0 | 111.3 | L29 R30 L35 T36 E37 | L29-K33 WeakPolarHBondContact O-CB 3.45Å; L29-K33 VanDerWaalsContact O-CG 3.3Å; L29-K33 WeakPolarHBondContact O-CG 3.24Å; L29-K33 PolarHBondContact O-N 3.19Å; R30-K33 PolarHBondContact O-N 2.94Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 3.18Å; K33-T36 WeakPolarHBondContact CA-OG1 3.49Å; K33-T36 PolarHBondContact O-N 3.28Å; K33-T36 PolarHBondContact O-OG1 3.45Å; K33-E37 WeakPolarHBondContact O-CB 3.38Å; K33-E37 PolarHBondContact O-N 3.38Å |
| 34 | A | 92.8 | Very high | 84.1 | Confident | 56 Ų | 56 | 117.3 Ų | 117.3 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.1 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R30 S31 L32 K38 | R30-A34 WeakPolarHBondContact O-CB 3.26Å; R30-A34 PolarHBondContact O-N 3.25Å; S31-A34 PolarHBondContact O-N 3.42Å; L32-A34 PolarHBondContact O-N 2.98Å; A34-K38 VanDerWaalsContact O-CB 3.24Å; A34-K38 WeakPolarHBondContact O-CB 3.33Å; A34-K38 PolarHBondContact O-N 3.23Å |
| 35 | L | 91.5 | Very high | 85.5 | Confident | 96 Ų | 96 | 122.7 Ų | 122.7 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.6 | -43.3 | 176.9 | -174.2 | 131.1 | 0 | 0 | 0 | 111.9 | S31 L32 K33 E37 K38 L39 | S31-L35 WeakPolarHBondContact O-CB 3.36Å; S31-L35 PolarHBondContact O-N 3.32Å; L32-L35 PolarHBondContact O-N 3.32Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 3.18Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 2.91Å; L35-K38 PolarHBondContact O-N 2.96Å; L35-L39 HydrophobicContact CD2-CD1 3.63Å; L35-L39 HydrophobicContact CG-CD1 4.06Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 VanDerWaalsContact O-CG 3.26Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.35Å |
| 36 | T | 90.4 | Very high | 86.5 | Confident | 63 Ų | 63 | 121.5 Ų | 121.5 | 39% | 0.387 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -37.7 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | L32 K33 L39 R40 L41 | L32-T36 VanDerWaalsContact O-CG2 3.32Å; L32-T36 WeakPolarHBondContact O-CG2 3.3Å; L32-T36 PolarHBondContact O-N 3.49Å; L32-T36 PolarHBondContact O-OG1 2.96Å; K33-T36 WeakPolarHBondContact CA-OG1 3.49Å; K33-T36 PolarHBondContact O-N 3.28Å; K33-T36 PolarHBondContact O-OG1 3.45Å; T36-L39 PolarHBondContact O-N 2.95Å; T36-R40 PolarHBondContact O-N 3.48Å; T36-R40 VanDerWaalsContact O-N 3.08Å; T36-L41 HydrophobicContact CG2-CD1 4.34Å; T36-L41 PolarHBondContact O-N 2.73Å |
| 37 | E | 88.9 | Confident | 87.6 | Confident | 152 Ų | 152 | 121.5 Ų | 121.5 | 71% | 0.71 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.9 | -47 | 175.4 | -175.2 | -179.3 | 176.6 | 0 | 0 | 111.1 | K33 L35 L39 R40 | K33-E37 WeakPolarHBondContact O-CB 3.38Å; K33-E37 PolarHBondContact O-N 3.38Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 2.91Å; E37-L39 PolarHBondContact O-N 3.46Å; E37-R40 PolarHBondContact O-N 2.95Å |
| 38 | K | 94.3 | Very high | 87.9 | Confident | 181 Ų | 181 | 123 Ų | 123 | 79% | 0.787 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.6 | -37.9 | 175.8 | -177.6 | 177.3 | 176.6 | 179.4 | 0 | 112.2 | A34 L35 R40 | A34-K38 VanDerWaalsContact O-CB 3.24Å; A34-K38 WeakPolarHBondContact O-CB 3.33Å; A34-K38 PolarHBondContact O-N 3.23Å; L35-K38 PolarHBondContact O-N 2.96Å; K38-R40 VanDerWaalsContact C-N 3.3Å |
| 39 | L | 90.8 | Very high | 87.9 | Confident | 100 Ų | 100 | 121.6 Ų | 121.6 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -1.4 | 177.7 | -66.1 | 178.2 | 0 | 0 | 0 | 113.5 | L35 T36 E37 L41 | L35-L39 HydrophobicContact CD2-CD1 3.63Å; L35-L39 HydrophobicContact CG-CD1 4.06Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 VanDerWaalsContact O-CG 3.26Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.35Å; T36-L39 PolarHBondContact O-N 2.95Å; E37-L39 PolarHBondContact O-N 3.46Å; L39-L41 HydrophobicContact CB-CD1 4.04Å; L39-L41 HydrophobicContact CB-CD2 4.1Å; L39-L41 HydrophobicContact CB-CG 3.67Å; L39-L41 HydrophobicContact CD1-CD1 4.13Å; L39-L41 PolarHBondContact O-N 3.2Å |
| 40 | R | 80.4 | Confident | 88 | Confident | 215 Ų | 215 | 122.7 Ų | 122.7 | 81% | 0.811 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.1 | 43.9 | -177.8 | -60.7 | -174.8 | 175.8 | -171.5 | -1.9 | 112.6 | T36 E37 K38 E42 | T36-R40 PolarHBondContact O-N 3.48Å; T36-R40 VanDerWaalsContact O-N 3.08Å; E37-R40 PolarHBondContact O-N 2.95Å; K38-R40 VanDerWaalsContact C-N 3.3Å; R40-E42 PolarHBondContact O-N 3.45Å |
| 41 | L | 82.6 | Confident | 88.1 | Confident | 112 Ų | 112 | 122.5 Ų | 122.5 | 59% | 0.586 | 59% | 0.586 | S | S | * | * | trans | -76.9 | 72.3 | -179.4 | -60.8 | 179 | 0 | 0 | 0 | 110 | T36 L39 | T36-L41 HydrophobicContact CG2-CD1 4.34Å; T36-L41 PolarHBondContact O-N 2.73Å; L39-L41 HydrophobicContact CB-CD1 4.04Å; L39-L41 HydrophobicContact CB-CD2 4.1Å; L39-L41 HydrophobicContact CB-CG 3.67Å; L39-L41 HydrophobicContact CD1-CD1 4.13Å; L39-L41 PolarHBondContact O-N 3.2Å | ||
| 42 | E | 81 | Confident | 87.9 | Confident | 170 Ų | 170 | 123.5 Ų | 123.5 | 79% | 0.794 | 58% | 0.581 | S | S | * | * | trans | -83.5 | 137.4 | 170.7 | -66.8 | -179.3 | -176.8 | 0 | 0 | 110.2 | R40 | R40-E42 PolarHBondContact O-N 3.45Š| ||
| 43 | T | 79.1 | Confident | 87.9 | Confident | 64 Ų | 64 | 122 Ų | 122 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | trans | -84.2 | 126.7 | 171.9 | 91.7 | 0 | 0 | 0 | 0 | 109.2 | R45 Y48 | T43-R45 PolarHBondContact O-N 3.31Å; T43-Y48 HydrophobicContact CG2-CD1 4.35Å; T43-Y48 HydrophobicContact CG2-CE1 4.39Å; T43-Y48 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 44 | R | 82.3 | Confident | 87.8 | Confident | 241 Ų | 241 | 120.9 Ų | 120.9 | 91% | 0.909 | 57% | 0.574 | S | S | * | * | trans | -87 | 15.9 | 174.7 | -64.9 | -172.2 | 175.2 | -168.9 | -1.4 | 113.4 | ||||
| 45 | R | 89.9 | Confident | 87.5 | Confident | 184 Ų | 184 | 121 Ų | 121 | 69% | 0.694 | 57% | 0.57 | S | S | * | * | trans | -82.4 | 121.8 | -175.6 | -73.7 | -174.2 | 176 | 179.5 | 1.1 | 109.8 | T43 S47 Y48 L49 | T43-R45 PolarHBondContact O-N 3.31Å; R45-S47 VanDerWaalsContact C-N 3.28Å; R45-S47 PolarHBondContact O-N 2.92Å; R45-Y48 PolarHBondContact O-N 3.48Å; R45-Y48 VanDerWaalsContact O-N 3.08Å; R45-L49 PolarHBondContact O-N 3.07Å | ||
| 46 | P | 82.9 | Confident | 87.4 | Confident | 89 Ų | 89 | 121 Ų | 121 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -38.8 | -176.5 | 19.3 | -29.8 | 0 | 0 | 0 | 112.5 | Y48 L49 E50 | P46-Y48 VanDerWaalsContact C-N 3.3Å; P46-Y48 PolarHBondContact O-N 2.77Å; P46-L49 PolarHBondContact O-N 3.49Å; P46-E50 WeakPolarHBondContact O-CG 3.42Å; P46-E50 PolarHBondContact O-N 2.92Å |
| 47 | S | 88.6 | Confident | 87.1 | Confident | 81 Ų | 81 | 123.5 Ų | 123.5 | 57% | 0.566 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63 | -31.1 | 177.6 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | R45 W51 | R45-S47 VanDerWaalsContact C-N 3.28Å; R45-S47 PolarHBondContact O-N 2.92Å; S47-W51 PolarHBondContact O-N 2.9Å |
| 48 | Y | 88.3 | Confident | 86.4 | Confident | 106 Ų | 106 | 123.1 Ų | 123.1 | 42% | 0.416 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.7 | -38.4 | 176.6 | 179.1 | -96.5 | 0 | 0 | 0 | 111.4 | T43 R45 P46 W51 K52 | T43-Y48 HydrophobicContact CG2-CD1 4.35Å; T43-Y48 HydrophobicContact CG2-CE1 4.39Å; T43-Y48 WeakPolarHBondContact OG1-CD1 3.39Å; R45-Y48 PolarHBondContact O-N 3.48Å; R45-Y48 VanDerWaalsContact O-N 3.08Å; P46-Y48 VanDerWaalsContact C-N 3.3Å; P46-Y48 PolarHBondContact O-N 2.77Å; Y48-W51 HydrophobicContact CD2-CE3 4.26Å; Y48-W51 HydrophobicContact CE2-CE3 4.05Å; Y48-W51 AromaticContact CE2-CZ3 3.96Å; Y48-W51 HydrophobicContact CE2-CZ3 3.96Å; Y48-W51 PolarHBondContact O-N 3.38Å; Y48-K52 WeakPolarHBondContact O-CB 3.31Å; Y48-K52 PolarHBondContact O-N 2.95Å |
| 49 | L | 88.4 | Confident | 85.5 | Confident | 96 Ų | 96 | 117.9 Ų | 117.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -42.2 | 176.7 | -63.2 | 175.8 | 0 | 0 | 0 | 111.4 | R45 P46 W51 K52 A53 | R45-L49 PolarHBondContact O-N 3.07Å; P46-L49 PolarHBondContact O-N 3.49Å; L49-W51 PolarHBondContact O-N 3.5Å; L49-K52 PolarHBondContact O-N 2.97Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 2.88Å |
| 50 | E | 92.1 | Very high | 83.8 | Confident | 119 Ų | 119 | 123.9 Ų | 123.9 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.2 | -42.2 | 174.2 | -72.7 | 174.5 | -162.9 | 0 | 0 | 112.5 | P46 K54 | P46-E50 WeakPolarHBondContact O-CG 3.42Å; P46-E50 PolarHBondContact O-N 2.92Å; E50-K54 WeakPolarHBondContact O-CG 2.89Å; E50-K54 PolarHBondContact O-N 3.01Å; E50-K54 VanDerWaalsContact O-N 3.09Å |
| 51 | W | 91.5 | Very high | 83 | Confident | 149 Ų | 149 | 121.5 Ų | 121.5 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -45 | 175.8 | 171.8 | 80.5 | 0 | 0 | 0 | 111.7 | S47 Y48 L49 A53 K54 V55 | S47-W51 PolarHBondContact O-N 2.9Å; Y48-W51 HydrophobicContact CD2-CE3 4.26Å; Y48-W51 HydrophobicContact CE2-CE3 4.05Å; Y48-W51 AromaticContact CE2-CZ3 3.96Å; Y48-W51 HydrophobicContact CE2-CZ3 3.96Å; Y48-W51 PolarHBondContact O-N 3.38Å; L49-W51 PolarHBondContact O-N 3.5Å; W51-A53 VanDerWaalsContact C-N 3.32Å; W51-A53 PolarHBondContact O-N 3.12Å; W51-K54 PolarHBondContact O-N 3.28Å; W51-V55 HydrophobicContact CD2-CG2 4.09Å; W51-V55 HydrophobicContact CG-CG2 4.5Å; W51-V55 HydrophobicContact CH2-CG2 4.39Å; W51-V55 HydrophobicContact CZ2-CG2 3.73Å; W51-V55 WeakPolarHBondContact O-CG2 3.36Å; W51-V55 PolarHBondContact O-N 3.35Å |
| 52 | K | 89.7 | Confident | 81.1 | Confident | 97 Ų | 97 | 120.3 Ų | 120.3 | 42% | 0.422 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.5 | -45.8 | 176.9 | -178 | -179.7 | 171.1 | -176.9 | 0 | 111.1 | Y48 L49 K54 V55 E56 | Y48-K52 WeakPolarHBondContact O-CB 3.31Å; Y48-K52 PolarHBondContact O-N 2.95Å; L49-K52 PolarHBondContact O-N 2.97Å; K52-K54 PolarHBondContact O-N 3.5Å; K52-V55 PolarHBondContact O-N 3.41Å; K52-E56 WeakPolarHBondContact CE-OE1 3.46Å; K52-E56 IonicContact NZ-OE1 2.66Å; K52-E56 WeakPolarHBondContact O-CG 3.47Å; K52-E56 PolarHBondContact O-N 3.45Å |
| 53 | A | 88.8 | Confident | 79.6 | Confident | 43 Ų | 43 | 118 Ų | 118 | 36% | 0.355 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.8 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 W51 V55 E56 E57 | L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 2.88Å; W51-A53 VanDerWaalsContact C-N 3.32Å; W51-A53 PolarHBondContact O-N 3.12Å; A53-V55 VanDerWaalsContact C-N 3.35Å; A53-V55 PolarHBondContact O-N 2.93Å; A53-E56 PolarHBondContact O-N 3.28Å; A53-E57 WeakPolarHBondContact O-CB 3.47Å; A53-E57 VanDerWaalsContact O-CG 3.31Å; A53-E57 WeakPolarHBondContact O-CG 3.3Å; A53-E57 PolarHBondContact O-N 2.98Å |
| 54 | K | 90.6 | Very high | 77.7 | Confident | 124 Ų | 124 | 123.7 Ų | 123.7 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.2 | -39.9 | 177 | -73.4 | 172.6 | -178.3 | 174.2 | 0 | 113.1 | E50 W51 K52 Q58 | E50-K54 WeakPolarHBondContact O-CG 2.89Å; E50-K54 PolarHBondContact O-N 3.01Å; E50-K54 VanDerWaalsContact O-N 3.09Å; W51-K54 PolarHBondContact O-N 3.28Å; K52-K54 PolarHBondContact O-N 3.5Å; K54-Q58 WeakPolarHBondContact O-CB 3.48Å; K54-Q58 VanDerWaalsContact O-CG 3.31Å; K54-Q58 WeakPolarHBondContact O-CG 3.5Å; K54-Q58 PolarHBondContact O-N 3.28Å |
| 55 | V | 85.7 | Confident | 75.7 | Confident | 60 Ų | 60 | 117.5 Ų | 117.5 | 36% | 0.364 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.9 | -43.2 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111 | W51 K52 A53 Q58 A59 | W51-V55 HydrophobicContact CD2-CG2 4.09Å; W51-V55 HydrophobicContact CG-CG2 4.5Å; W51-V55 HydrophobicContact CH2-CG2 4.39Å; W51-V55 HydrophobicContact CZ2-CG2 3.73Å; W51-V55 WeakPolarHBondContact O-CG2 3.36Å; W51-V55 PolarHBondContact O-N 3.35Å; K52-V55 PolarHBondContact O-N 3.41Å; A53-V55 VanDerWaalsContact C-N 3.35Å; A53-V55 PolarHBondContact O-N 2.93Å; V55-Q58 PolarHBondContact O-N 2.78Å; V55-A59 PolarHBondContact O-N 2.8Å |
| 56 | E | 88.3 | Confident | 73.1 | Confident | 96 Ų | 96 | 113.5 Ų | 113.5 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.3 | -47.9 | 175.3 | -72.8 | 174.4 | -179.1 | 0 | 0 | 110.2 | K52 A53 Q58 A59 W60 | K52-E56 WeakPolarHBondContact CE-OE1 3.46Å; K52-E56 IonicContact NZ-OE1 2.66Å; K52-E56 WeakPolarHBondContact O-CG 3.47Å; K52-E56 PolarHBondContact O-N 3.45Å; A53-E56 PolarHBondContact O-N 3.28Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 2.81Å; E56-A59 WeakPolarHBondContact O-CB 3.45Å; E56-A59 PolarHBondContact O-N 2.85Å; E56-A59 VanDerWaalsContact O-N 3.12Å; E56-W60 PolarHBondContact O-N 3.06Å; E56-W60 PolarHBondContact O-NE1 2.94Å |
| 57 | E | 84.3 | Confident | 70.8 | Confident | 115 Ų | 115 | 112.8 Ų | 112.8 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.4 | -37 | 175 | -74.1 | 175.5 | -165 | 0 | 0 | 113.7 | A53 K61 | A53-E57 WeakPolarHBondContact O-CB 3.47Å; A53-E57 VanDerWaalsContact O-CG 3.31Å; A53-E57 WeakPolarHBondContact O-CG 3.3Å; A53-E57 PolarHBondContact O-N 2.98Å; E57-K61 WeakPolarHBondContact O-CG 3.49Å; E57-K61 PolarHBondContact O-N 3.43Å |
| 58 | Q | 75.9 | Confident | 68.3 | Low | 143 Ų | 143 | 118.3 Ų | 118.3 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.2 | -34.9 | 176.2 | -76.7 | -178.7 | 3.2 | 0 | 0 | 112.8 | K54 V55 E56 W60 K61 S62 | K54-Q58 WeakPolarHBondContact O-CB 3.48Å; K54-Q58 VanDerWaalsContact O-CG 3.31Å; K54-Q58 WeakPolarHBondContact O-CG 3.5Å; K54-Q58 PolarHBondContact O-N 3.28Å; V55-Q58 PolarHBondContact O-N 2.78Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 2.81Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.22Å; Q58-K61 PolarHBondContact O-N 2.91Å; Q58-K61 VanDerWaalsContact O-N 3.13Å; Q58-S62 PolarHBondContact O-N 3.27Å |
| 59 | A | 74.8 | Confident | 65.9 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.5 | -33.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V55 E56 | V55-A59 PolarHBondContact O-N 2.8Å; E56-A59 WeakPolarHBondContact O-CB 3.45Å; E56-A59 PolarHBondContact O-N 2.85Å; E56-A59 VanDerWaalsContact O-N 3.12Å |
| 60 | W | 55.1 | Low | 63.3 | Low | 226 Ų | 226 | 126.4 Ų | 126.4 | 86% | 0.856 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.4 | -16 | 175.1 | -56.9 | 110.9 | 0 | 0 | 0 | 114.1 | E56 Q58 | E56-W60 PolarHBondContact O-N 3.06Å; E56-W60 PolarHBondContact O-NE1 2.94Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.22Å |
| 61 | K | 64 | Low | 60.4 | Low | 165 Ų | 165 | 126.2 Ų | 126.2 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 13.6 | 177.2 | -72.2 | -175.8 | -178.7 | -177.2 | 0 | 113.8 | E57 Q58 | E57-K61 WeakPolarHBondContact O-CG 3.49Å; E57-K61 PolarHBondContact O-N 3.43Å; Q58-K61 PolarHBondContact O-N 2.91Å; Q58-K61 VanDerWaalsContact O-N 3.13Å |
| 62 | S | 41.8 | Very low | 57.4 | Low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -56.1 | 129.2 | 168.5 | 179.1 | 0 | 0 | 0 | 0 | 110 | Q58 Q64 | Q58-S62 PolarHBondContact O-N 3.27Å; S62-Q64 PolarHBondContact O-N 3.34Å |
| 63 | P | 50.1 | Low | 54.8 | Low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -62.9 | 108.4 | -179.6 | -21.3 | 32.5 | 0 | 0 | 0 | 111.3 | ||||
| 64 | Q | 39.2 | Very low | 52.2 | Low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | trans | -66.9 | 132.9 | 165.4 | -157.1 | -170.6 | -5.1 | 0 | 0 | 108.6 | S62 | S62-Q64 PolarHBondContact O-N 3.34Š| ||
| 65 | P | 40.6 | Very low | 49.5 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -82.4 | 136.9 | 178 | 32 | -31 | 0 | 0 | 0 | 111.5 | ||||
| 66 | A | 34.8 | Very low | 46.9 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 74.8 | 125.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 67 | G | 35.3 | Very low | 44 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 73.4 | 131.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 68 | E | 34.7 | Very low | 41.5 | Very low | 198 Ų | 198 | 142 Ų | 142 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | cis | -152.9 | 155.4 | 27.8 | -71.4 | 166.8 | -179.5 | 0 | 0 | 108.4 | ||||
| 69 | E | 37.9 | Very low | 39.3 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 138.8 | 177.7 | -59.6 | 172.9 | 149.9 | 0 | 0 | 111.5 | ||||
| 70 | E | 33.8 | Very low | 37.4 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -161.3 | 101.1 | 130.2 | -92.3 | -138.9 | 146.1 | 0 | 0 | 110.9 | ||||
| 71 | V | 31.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | 19.5 | 114.4 | 131.2 | -172.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 72 | N | 28.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | -169.1 | 143.4 | 108.3 | -112.7 | -48.8 | 0 | 0 | 0 | 114.6 | |||||
| 73 | E | 35.9 | Very low | 34.9 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 150.8 | -172.3 | -62.2 | -161.4 | 148.7 | 0 | 0 | 115.8 | R75 | E73-R75 IonicContact OE2-NH2 3.96Š| ||
| 74 | A | 32.8 | Very low | 34.1 | Very low | 81 Ų | 81 | 148 Ų | 148 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | 172 | 115.8 | 98.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 75 | R | 35.6 | Very low | 34 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | 54.2 | 113.3 | 128.2 | -59.1 | 176.1 | -171.7 | -161.6 | 0 | 117.4 | E73 | E73-R75 IonicContact OE2-NH2 3.96Š| |||
| 76 | K | 29.4 | Very low | 33.8 | Very low | 205 Ų | 205 | 154 Ų | 154 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | 156 | 153.6 | 73.5 | -108.2 | 176.9 | 174 | -175.2 | 0 | 103.4 | |||||
| 77 | A | 27.8 | Very low | 33.9 | Very low | 82 Ų | 82 | 155.1 Ų | 155.1 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | cis | -171.4 | 167.7 | -6.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 78 | T | 31.1 | Very low | 33.8 | Very low | 129 Ų | 129 | 159 Ų | 159 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | 82.2 | 84.3 | 160.5 | -33.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 79 | E | 31.6 | Very low | 34 | Very low | 181 Ų | 181 | 157 Ų | 157 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | 56.7 | 95.8 | 77.5 | -64.3 | -170.7 | 178.9 | 0 | 0 | 114.8 | |||||
| 80 | E | 34.4 | Very low | 34 | Very low | 194 Ų | 194 | 156 Ų | 156 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | -171 | 88.5 | 128.6 | -110.8 | -173.2 | 170.5 | 0 | 0 | 109.9 | |||||
| 81 | T | 33.3 | Very low | 34.2 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -140.8 | 112 | 157.7 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 82 | V | 38.1 | Very low | 34.6 | Very low | 139 Ų | 139 | 156 Ų | 156 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -41.9 | 130.2 | 174 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | L84 | V82-L84 PolarHBondContact O-N 3.41Š| ||
| 83 | P | 36.2 | Very low | 35.1 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 114.9 | -179.1 | -14.4 | 29 | 0 | 0 | 0 | 112 | R85 | P83-R85 PolarHBondContact O-N 2.73Š| ||
| 84 | L | 34.4 | Very low | 35.2 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -58.4 | 120 | 164.3 | -171.8 | 74.9 | 0 | 0 | 0 | 109.1 | V82 K86 | V82-L84 PolarHBondContact O-N 3.41Å; L84-K86 PolarHBondContact O-N 3.15Å | ||
| 85 | R | 37.3 | Very low | 35.7 | Very low | 236 Ų | 236 | 153.1 Ų | 153.1 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -53 | 100.5 | 175.2 | -87.3 | 177.4 | 172.4 | 156.3 | -2.6 | 110.8 | P83 V87 | P83-R85 PolarHBondContact O-N 2.73Å; R85-V87 PolarHBondContact O-N 3.08Å | ||
| 86 | K | 35.7 | Very low | 35.9 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -77 | 103.4 | 166 | -162 | 171.5 | -172.4 | 176.4 | 0 | 107.3 | L84 Q88 | L84-K86 PolarHBondContact O-N 3.15Å; K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-Q88 PolarHBondContact O-N 3.24Å | ||
| 87 | V | 35.9 | Very low | 36.7 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -68.9 | 96.1 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | R85 L89 | R85-V87 PolarHBondContact O-N 3.08Å; V87-L89 PolarHBondContact O-N 2.87Å | ||
| 88 | Q | 34.4 | Very low | 37 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -68.4 | 103.8 | 168.3 | -88.6 | 154.4 | -42.3 | 0 | 0 | 108.4 | K86 Q90 | K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-Q88 PolarHBondContact O-N 3.24Å; Q88-Q90 PolarHBondContact O-N 3.04Å | ||
| 89 | L | 38.7 | Very low | 37.8 | Very low | 156 Ų | 156 | 153.7 Ų | 153.7 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | -66.3 | 97.9 | 162.6 | -77.2 | 152 | 0 | 0 | 0 | 107.7 | V87 L91 | V87-L89 PolarHBondContact O-N 2.87Å; L89-L91 PolarHBondContact O-N 3.39Å | ||
| 90 | Q | 37.1 | Very low | 38 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -79.4 | 105.1 | 166.7 | -66.1 | -160.3 | 5.2 | 0 | 0 | 108.2 | Q88 N92 | Q88-Q90 PolarHBondContact O-N 3.04Å; Q90-N92 PolarHBondContact O-N 3.38Å | ||
| 91 | L | 39.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -87.3 | 102.4 | 166.9 | -128 | 77.5 | 0 | 0 | 0 | 107.7 | L89 G93 | L89-L91 PolarHBondContact O-N 3.39Å; L91-G93 PolarHBondContact O-N 2.85Å | ||
| 92 | N | 39.3 | Very low | 39.2 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -70.4 | 110.8 | 171.1 | -77.7 | -6.6 | 0 | 0 | 0 | 109 | Q90 T94 | Q90-N92 PolarHBondContact O-N 3.38Å; N92-T94 PolarHBondContact O-N 3.5Å | ||
| 93 | G | 38 | Very low | 39.6 | Very low | 78 Ų | 78 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -76.6 | 110.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L91 | L91-G93 PolarHBondContact O-N 2.85Š| ||
| 94 | T | 38.5 | Very low | 40.5 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 106.8 | 157.2 | 53.9 | 0 | 0 | 0 | 0 | 108 | N92 S96 | N92-T94 PolarHBondContact O-N 3.5Å; T94-S96 PolarHBondContact O-N 3.24Å | ||
| 95 | S | 42.8 | Very low | 41.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -61.2 | 123.9 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 96 | S | 40.2 | Very low | 42.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -133.5 | 114 | 154.4 | -162.9 | 0 | 0 | 0 | 0 | 107 | T94 D98 | T94-S96 PolarHBondContact O-N 3.24Å; S96-D98 PolarHBondContact O-N 3.44Å | ||
| 97 | E | 46.4 | Very low | 44.2 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -60.6 | 124.9 | 176.1 | -60.3 | -178.8 | 145.2 | 0 | 0 | 109.6 | ||||
| 98 | D | 34.3 | Very low | 45.7 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -163.2 | 104.6 | 135.9 | -138.2 | -6.7 | 0 | 0 | 0 | 112.4 | S96 | S96-D98 PolarHBondContact O-N 3.44Š| ||
| 99 | K | 47.9 | Very low | 48.1 | Very low | 189 Ų | 189 | 127.1 Ų | 127.1 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 19.4 | 99.4 | 142.4 | -165.6 | -172.2 | -174.1 | -169.6 | 0 | 119.2 | ||||
| 100 | V | 35.3 | Very low | 50.3 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -152.6 | 138.3 | 135.7 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 101 | T | 44.9 | Very low | 52.7 | Low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | trans | -36.9 | 135.7 | 178.2 | 45 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 102 | L | 48.5 | Very low | 55.2 | Low | 168 Ų | 168 | 115.6 Ų | 115.6 | 88% | 0.88 | 70% | 0.701 | S | S | * | * | trans | 57.3 | 76.5 | 153.9 | -56.2 | 177.6 | 0 | 0 | 0 | 117 | S104 | L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.19Å | ||
| 103 | T | 47.2 | Very low | 57.7 | Low | 138 Ų | 138 | 114.1 Ų | 114.1 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | trans | -79.2 | 88.7 | 161.1 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | G105 | T103-G105 PolarHBondContact O-N 3.09Š| ||
| 104 | S | 54.5 | Low | 60.4 | Low | 116 Ų | 116 | 115.9 Ų | 115.9 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | trans | -43.7 | 125.4 | 156.8 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | L102 K106 | L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.19Å; S104-K106 PolarHBondContact O-N 3.49Å | ||
| 105 | G | 58.1 | Low | 63.1 | Low | 49 Ų | 49 | 113.4 Ų | 113.4 | 51% | 0.505 | 66% | 0.662 | S | S | . | * | trans | -30.8 | 121.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117 | T103 I107 | T103-G105 PolarHBondContact O-N 3.09Å; G105-I107 WeakPolarHBondContact O-CG1 3.25Å; G105-I107 PolarHBondContact O-N 3.48Å | ||
| 106 | K | 61.3 | Low | 65.6 | Low | 125 Ų | 125 | 108.9 Ų | 108.9 | 54% | 0.543 | 63% | 0.632 | S | S | . | * | trans | -64.3 | 95.6 | 161.6 | -174.3 | 140.6 | 179.6 | 163.5 | 0 | 108.3 | S104 G108 E111 | S104-K106 PolarHBondContact O-N 3.49Å; K106-G108 PolarHBondContact O-N 3.31Å; K106-E111 WeakPolarHBondContact CE-OE2 3.32Å; K106-E111 IonicContact NZ-OE1 3.89Å; K106-E111 PolarHBondContact NZ-OE1 2.95Å; K106-E111 IonicContact NZ-OE2 3.94Å; K106-E111 PolarHBondContact NZ-OE2 3.34Å | ||
| 107 | I | 64.3 | Low | 68.2 | Low | 102 Ų | 102 | 106.5 Ų | 106.5 | 52% | 0.523 | 61% | 0.609 | S | S | . | * | B | Isolated β-bridge | trans | -82.6 | 110.5 | -178.4 | -64.8 | 154.3 | 0 | 0 | 0 | 107.5 | G105 G109 F110 I113 | G105-I107 WeakPolarHBondContact O-CG1 3.25Å; G105-I107 PolarHBondContact O-N 3.48Å; I107-G109 PolarHBondContact O-N 3.39Å; I107-F110 PolarHBondContact O-N 3.19Å; I107-I113 HydrophobicContact CD1-CD1 3.76Å; I107-I113 HydrophobicContact CD1-CG1 3.45Å; I107-I113 VanDerWaalsContact CD1-CG1 3.45Å |
| 108 | G | 68.5 | Low | 70.5 | Confident | 71 Ų | 71 | 101.9 Ų | 101.9 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59 | 37.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K106 F110 | K106-G108 PolarHBondContact O-N 3.31Å; G108-F110 VanDerWaalsContact C-N 3.34Å |
| 109 | G | 84.2 | Confident | 73.5 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.7 | -5.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I107 | I107-G109 PolarHBondContact O-N 3.39Š|
| 110 | F | 86.1 | Confident | 75.8 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 27% | 0.268 | 56% | 0.562 | S | S | . | * | B | Isolated β-bridge | trans | -97.3 | 141.8 | 172.2 | -61.8 | -82.4 | 0 | 0 | 0 | 110.7 | I107 G108 S112 E115 A116 W119 | I107-F110 PolarHBondContact O-N 3.19Å; G108-F110 VanDerWaalsContact C-N 3.34Å; F110-S112 PolarHBondContact O-N 2.92Å; F110-E115 HydrophobicContact CB-CB 4.49Å; F110-E115 HydrophobicContact CD1-CB 4.47Å; F110-E115 HydrophobicContact CD1-CG 4.02Å; F110-A116 HydrophobicContact CB-CB 4.17Å; F110-A116 HydrophobicContact CD1-CB 4.23Å; F110-A116 HydrophobicContact CD2-CB 3.73Å; F110-A116 HydrophobicContact CE2-CB 4.15Å; F110-A116 HydrophobicContact CG-CB 3.77Å; F110-W119 HydrophobicContact CE1-CB 4Å; F110-W119 HydrophobicContact CE1-CG 4.1Å; F110-W119 HydrophobicContact CZ-CB 4.42Å; F110-W119 HydrophobicContact CZ-CD2 4.18Å; F110-W119 HydrophobicContact CZ-CE3 4.2Å; F110-W119 HydrophobicContact CZ-CG 4.24Å |
| 111 | E | 86.4 | Confident | 78.8 | Confident | 129 Ų | 129 | 97.2 Ų | 97.2 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -68.6 | -23.8 | 178.9 | -119.9 | 73.9 | -166.1 | 0 | 0 | 111.2 | K106 E115 | K106-E111 WeakPolarHBondContact CE-OE2 3.32Å; K106-E111 IonicContact NZ-OE1 3.89Å; K106-E111 PolarHBondContact NZ-OE1 2.95Å; K106-E111 IonicContact NZ-OE2 3.94Å; K106-E111 PolarHBondContact NZ-OE2 3.34Å; E111-E115 VanDerWaalsContact CB-OE2 3.3Å; E111-E115 WeakPolarHBondContact CB-OE2 3.49Å; E111-E115 PolarHBondContact N-OE2 3.45Å |
| 112 | S | 91.8 | Very high | 81.3 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 36% | 0.357 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -153.5 | 162.2 | 176.9 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | F110 D114 E115 A116 | F110-S112 PolarHBondContact O-N 2.92Å; S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 2.92Å; S112-E115 WeakPolarHBondContact O-CB 3.5Å; S112-E115 PolarHBondContact O-N 3.41Å; S112-E115 WeakPolarHBondContact OG-CB 3.3Å; S112-E115 PolarHBondContact OG-N 3.42Å; S112-A116 PolarHBondContact O-N 2.97Å |
| 113 | I | 93 | Very high | 83.6 | Confident | 107 Ų | 107 | 93.9 Ų | 93.9 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 173.6 | -61.7 | 173.6 | 0 | 0 | 0 | 110.7 | I107 E115 A116 L117 | I107-I113 HydrophobicContact CD1-CD1 3.76Å; I107-I113 HydrophobicContact CD1-CG1 3.45Å; I107-I113 VanDerWaalsContact CD1-CG1 3.45Å; I113-E115 VanDerWaalsContact C-N 3.3Å; I113-E115 PolarHBondContact O-N 2.88Å; I113-A116 PolarHBondContact O-N 3.15Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 HydrophobicContact CG2-CG 4.35Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 3.35Å |
| 114 | D | 94.1 | Very high | 86.1 | Confident | 114 Ų | 114 | 91 Ų | 91 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 179.3 | -68.8 | -45.6 | 0 | 0 | 0 | 111.5 | S112 L117 T118 | S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 2.92Å; D114-L117 PolarHBondContact O-N 2.87Å; D114-T118 VanDerWaalsContact O-CG2 3.3Å; D114-T118 WeakPolarHBondContact O-CG2 3.36Å; D114-T118 PolarHBondContact O-N 3.3Å; D114-T118 PolarHBondContact O-OG1 3.06Å |
| 115 | E | 94.5 | Very high | 88.1 | Confident | 81 Ų | 81 | 88.3 Ų | 88.3 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 174.7 | -169.9 | -177.3 | -170.1 | 0 | 0 | 111.4 | F110 E111 S112 I113 L117 T118 W119 | F110-E115 HydrophobicContact CB-CB 4.49Å; F110-E115 HydrophobicContact CD1-CB 4.47Å; F110-E115 HydrophobicContact CD1-CG 4.02Å; E111-E115 VanDerWaalsContact CB-OE2 3.3Å; E111-E115 WeakPolarHBondContact CB-OE2 3.49Å; E111-E115 PolarHBondContact N-OE2 3.45Å; S112-E115 WeakPolarHBondContact O-CB 3.5Å; S112-E115 PolarHBondContact O-N 3.41Å; S112-E115 WeakPolarHBondContact OG-CB 3.3Å; S112-E115 PolarHBondContact OG-N 3.42Å; I113-E115 VanDerWaalsContact C-N 3.3Å; I113-E115 PolarHBondContact O-N 2.88Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 3.06Å; E115-T118 WeakPolarHBondContact CA-OG1 3.31Å; E115-T118 PolarHBondContact O-N 3.45Å; E115-T118 VanDerWaalsContact O-N 3.15Å; E115-T118 PolarHBondContact O-OG1 3.11Å; E115-W119 PolarHBondContact O-N 3.02Å |
| 116 | A | 95.2 | Very high | 90.1 | Very high | 24 Ų | 24 | 90.3 Ų | 90.3 | 20% | 0.198 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F110 S112 I113 W119 L120 | F110-A116 HydrophobicContact CB-CB 4.17Å; F110-A116 HydrophobicContact CD1-CB 4.23Å; F110-A116 HydrophobicContact CD2-CB 3.73Å; F110-A116 HydrophobicContact CE2-CB 4.15Å; F110-A116 HydrophobicContact CG-CB 3.77Å; S112-A116 PolarHBondContact O-N 2.97Å; I113-A116 PolarHBondContact O-N 3.15Å; A116-W119 PolarHBondContact O-N 3.24Å; A116-L120 WeakPolarHBondContact O-CB 3.43Å; A116-L120 WeakPolarHBondContact O-CG 3.45Å; A116-L120 PolarHBondContact O-N 2.96Å |
| 117 | L | 95 | Very high | 91.8 | Very high | 69 Ų | 69 | 88.5 Ų | 88.5 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 176.1 | -69.4 | 177.3 | 0 | 0 | 0 | 112.4 | I113 D114 E115 R121 | I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 HydrophobicContact CG2-CG 4.35Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 3.35Å; D114-L117 PolarHBondContact O-N 2.87Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 3.06Å; L117-R121 WeakPolarHBondContact O-CB 3.24Å; L117-R121 VanDerWaalsContact O-CG 3.25Å; L117-R121 WeakPolarHBondContact O-CG 3.3Å; L117-R121 PolarHBondContact O-N 3.18Å |
| 118 | T | 96.3 | Very high | 93.4 | Very high | 81 Ų | 81 | 90.6 Ų | 90.6 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.3 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | D114 E115 R121 K122 | D114-T118 VanDerWaalsContact O-CG2 3.3Å; D114-T118 WeakPolarHBondContact O-CG2 3.36Å; D114-T118 PolarHBondContact O-N 3.3Å; D114-T118 PolarHBondContact O-OG1 3.06Å; E115-T118 WeakPolarHBondContact CA-OG1 3.31Å; E115-T118 PolarHBondContact O-N 3.45Å; E115-T118 VanDerWaalsContact O-N 3.15Å; E115-T118 PolarHBondContact O-OG1 3.11Å; T118-R121 PolarHBondContact O-N 3.3Å; T118-K122 PolarHBondContact O-N 3.06Å |
| 119 | W | 96.1 | Very high | 94.9 | Very high | 124 Ų | 124 | 91.7 Ų | 91.7 | 47% | 0.47 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 174.5 | 178.9 | 83.1 | 0 | 0 | 0 | 111.3 | F110 E115 A116 R121 K122 E123 | F110-W119 HydrophobicContact CE1-CB 4Å; F110-W119 HydrophobicContact CE1-CG 4.1Å; F110-W119 HydrophobicContact CZ-CB 4.42Å; F110-W119 HydrophobicContact CZ-CD2 4.18Å; F110-W119 HydrophobicContact CZ-CE3 4.2Å; F110-W119 HydrophobicContact CZ-CG 4.24Å; E115-W119 PolarHBondContact O-N 3.02Å; A116-W119 PolarHBondContact O-N 3.24Å; W119-R121 VanDerWaalsContact C-N 3.3Å; W119-R121 PolarHBondContact O-N 3.32Å; W119-K122 WeakPolarHBondContact O-CB 3.42Å; W119-K122 PolarHBondContact O-N 2.9Å; W119-E123 HydrophobicContact CH2-CB 4.49Å; W119-E123 HydrophobicContact CH2-CG 4.23Å; W119-E123 HydrophobicContact CZ2-CB 4.42Å; W119-E123 HydrophobicContact CZ2-CG 4.23Å; W119-E123 PolarHBondContact O-N 3.27Å |
| 120 | L | 96.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 93.7 Ų | 93.7 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 177.1 | -81.8 | 170.3 | 0 | 0 | 0 | 112.5 | A116 K122 E123 L124 | A116-L120 WeakPolarHBondContact O-CB 3.43Å; A116-L120 WeakPolarHBondContact O-CG 3.45Å; A116-L120 PolarHBondContact O-N 2.96Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-E123 PolarHBondContact O-N 3Å; L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.01Å; L120-L124 PolarHBondContact O-N 3.26Å |
| 121 | R | 97.9 | Very high | 96.1 | Very high | 154 Ų | 154 | 95.8 Ų | 95.8 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 176.9 | -73.6 | 176.4 | -168.2 | 118.9 | -2.3 | 111.8 | L117 T118 W119 A125 | L117-R121 WeakPolarHBondContact O-CB 3.24Å; L117-R121 VanDerWaalsContact O-CG 3.25Å; L117-R121 WeakPolarHBondContact O-CG 3.3Å; L117-R121 PolarHBondContact O-N 3.18Å; T118-R121 PolarHBondContact O-N 3.3Å; W119-R121 VanDerWaalsContact C-N 3.3Å; W119-R121 PolarHBondContact O-N 3.32Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.05Å |
| 122 | K | 97.8 | Very high | 96.7 | Very high | 150 Ų | 150 | 94.5 Ų | 94.5 | 65% | 0.652 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.3 | -47.5 | 177 | -174.4 | -177.7 | 175.8 | -174.5 | 0 | 110.9 | T118 W119 L120 L124 A125 E126 | T118-K122 PolarHBondContact O-N 3.06Å; W119-K122 WeakPolarHBondContact O-CB 3.42Å; W119-K122 PolarHBondContact O-N 2.9Å; L120-K122 VanDerWaalsContact C-N 3.34Å; K122-L124 PolarHBondContact O-N 3.4Å; K122-A125 WeakPolarHBondContact O-CB 3.43Å; K122-A125 PolarHBondContact O-N 3.08Å; K122-A125 VanDerWaalsContact O-N 3.13Å; K122-E126 PolarHBondContact O-N 3.33Å |
| 123 | E | 97.8 | Very high | 97 | Very high | 68 Ų | 68 | 97.2 Ų | 97.2 | 32% | 0.318 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.6 | -168 | 62.7 | -151.8 | 0 | 0 | 111.4 | W119 L120 A125 E126 M127 | W119-E123 HydrophobicContact CH2-CB 4.49Å; W119-E123 HydrophobicContact CH2-CG 4.23Å; W119-E123 HydrophobicContact CZ2-CB 4.42Å; W119-E123 HydrophobicContact CZ2-CG 4.23Å; W119-E123 PolarHBondContact O-N 3.27Å; L120-E123 PolarHBondContact O-N 3Å; E123-A125 VanDerWaalsContact C-N 3.29Å; E123-A125 PolarHBondContact O-N 3.29Å; E123-E126 PolarHBondContact O-N 3.2Å; E123-E126 VanDerWaalsContact O-N 3.15Å; E123-M127 WeakPolarHBondContact O-CG 3.42Å; E123-M127 PolarHBondContact O-N 2.96Å |
| 124 | L | 98.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 40% | 0.403 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 176.5 | -165.9 | 88.2 | 0 | 0 | 0 | 112.3 | L120 K122 M127 R128 | L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.01Å; L120-L124 PolarHBondContact O-N 3.26Å; K122-L124 PolarHBondContact O-N 3.4Å; L124-M127 HydrophobicContact CD1-CE 4.08Å; L124-R128 WeakPolarHBondContact O-CB 3.43Å; L124-R128 VanDerWaalsContact O-CG 3.3Å; L124-R128 WeakPolarHBondContact O-CG 3.43Å; L124-R128 PolarHBondContact O-N 2.99Å; L124-R128 VanDerWaalsContact O-N 3.11Å |
| 125 | A | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R121 K122 E123 R128 L129 | R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.05Å; K122-A125 WeakPolarHBondContact O-CB 3.43Å; K122-A125 PolarHBondContact O-N 3.08Å; K122-A125 VanDerWaalsContact O-N 3.13Å; E123-A125 VanDerWaalsContact C-N 3.29Å; E123-A125 PolarHBondContact O-N 3.29Å; A125-R128 PolarHBondContact O-N 3.24Å; A125-L129 PolarHBondContact O-N 3.12Å |
| 126 | E | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -47.9 | 176.2 | -175.3 | 164.9 | 178.8 | 0 | 0 | 111.8 | K122 E123 R128 L129 Q130 | K122-E126 PolarHBondContact O-N 3.33Å; E123-E126 PolarHBondContact O-N 3.2Å; E123-E126 VanDerWaalsContact O-N 3.15Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 2.94Å; E126-L129 WeakPolarHBondContact O-CB 3.45Å; E126-L129 PolarHBondContact O-N 3.13Å; E126-Q130 WeakPolarHBondContact O-CG 3.44Å; E126-Q130 PolarHBondContact O-N 3.06Å |
| 127 | M | 98.5 | Very high | 97.9 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 174.4 | -70.4 | -168.4 | -64.6 | 0 | 0 | 111.5 | E123 L124 L129 Q130 D131 | E123-M127 WeakPolarHBondContact O-CG 3.42Å; E123-M127 PolarHBondContact O-N 2.96Å; L124-M127 HydrophobicContact CD1-CE 4.08Å; M127-L129 VanDerWaalsContact C-N 3.32Å; M127-L129 PolarHBondContact O-N 3Å; M127-Q130 PolarHBondContact O-N 3.45Å; M127-D131 PolarHBondContact O-N 3.41Å |
| 128 | R | 98.3 | Very high | 98 | Very high | 146 Ų | 146 | 102 Ų | 102 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -36.8 | 175.8 | -79.5 | -176.4 | 175.8 | 124.1 | 4 | 113.2 | L124 A125 E126 Q132 | L124-R128 WeakPolarHBondContact O-CB 3.43Å; L124-R128 VanDerWaalsContact O-CG 3.3Å; L124-R128 WeakPolarHBondContact O-CG 3.43Å; L124-R128 PolarHBondContact O-N 2.99Å; L124-R128 VanDerWaalsContact O-N 3.11Å; A125-R128 PolarHBondContact O-N 3.24Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 2.94Å; R128-Q132 VanDerWaalsContact O-CG 3.25Å; R128-Q132 WeakPolarHBondContact O-CG 3.47Å; R128-Q132 PolarHBondContact O-N 3.31Å |
| 129 | L | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.5 | -179.9 | 63.6 | 0 | 0 | 0 | 110.8 | A125 E126 M127 Q132 Q133 | A125-L129 PolarHBondContact O-N 3.12Å; E126-L129 WeakPolarHBondContact O-CB 3.45Å; E126-L129 PolarHBondContact O-N 3.13Å; M127-L129 VanDerWaalsContact C-N 3.32Å; M127-L129 PolarHBondContact O-N 3Å; L129-Q132 PolarHBondContact O-N 3.11Å; L129-Q133 WeakPolarHBondContact O-CG 3.48Å; L129-Q133 PolarHBondContact O-N 3.36Å |
| 130 | Q | 98.5 | Very high | 98.3 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.6 | -67.4 | 175.6 | 1.3 | 0 | 0 | 111.3 | E126 M127 Q132 Q133 L134 | E126-Q130 WeakPolarHBondContact O-CG 3.44Å; E126-Q130 PolarHBondContact O-N 3.06Å; M127-Q130 PolarHBondContact O-N 3.45Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.35Å; Q130-Q133 WeakPolarHBondContact O-CB 3.25Å; Q130-Q133 PolarHBondContact O-N 2.86Å; Q130-Q133 VanDerWaalsContact O-N 3.11Å; Q130-L134 PolarHBondContact O-N 2.94Å |
| 131 | D | 98.5 | Very high | 98.4 | Very high | 106 Ų | 106 | 105.6 Ų | 105.6 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 177 | -75.9 | -15.3 | 0 | 0 | 0 | 112 | M127 Q133 L134 A135 | M127-D131 PolarHBondContact O-N 3.41Å; D131-Q133 VanDerWaalsContact C-N 3.34Å; D131-Q133 PolarHBondContact O-N 2.89Å; D131-L134 PolarHBondContact O-N 3.14Å; D131-A135 VanDerWaalsContact O-CB 3.3Å; D131-A135 WeakPolarHBondContact O-CB 3.45Å; D131-A135 PolarHBondContact O-N 3.48Å |
| 132 | Q | 98.6 | Very high | 98.4 | Very high | 101 Ų | 101 | 106.7 Ų | 106.7 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 176 | -74.3 | 177 | 27.8 | 0 | 0 | 112.4 | R128 L129 Q130 R136 | R128-Q132 VanDerWaalsContact O-CG 3.25Å; R128-Q132 WeakPolarHBondContact O-CG 3.47Å; R128-Q132 PolarHBondContact O-N 3.31Å; L129-Q132 PolarHBondContact O-N 3.11Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.35Å; Q132-R136 VanDerWaalsContact O-CG 3.25Å; Q132-R136 WeakPolarHBondContact O-CG 3.42Å; Q132-R136 PolarHBondContact O-N 3.44Å; Q132-R136 VanDerWaalsContact O-N 3.14Å |
| 133 | Q | 98.4 | Very high | 98.4 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -46.4 | 176.3 | -72.6 | 176.1 | -10.9 | 0 | 0 | 111 | L129 Q130 D131 A135 R136 Q137 | L129-Q133 WeakPolarHBondContact O-CG 3.48Å; L129-Q133 PolarHBondContact O-N 3.36Å; Q130-Q133 WeakPolarHBondContact O-CB 3.25Å; Q130-Q133 PolarHBondContact O-N 2.86Å; Q130-Q133 VanDerWaalsContact O-N 3.11Å; D131-Q133 VanDerWaalsContact C-N 3.34Å; D131-Q133 PolarHBondContact O-N 2.89Å; Q133-A135 PolarHBondContact O-N 3Å; Q133-R136 WeakPolarHBondContact O-CB 3.25Å; Q133-R136 PolarHBondContact O-N 3.43Å; Q133-Q137 WeakPolarHBondContact O-CG 3.45Å; Q133-Q137 PolarHBondContact O-N 2.92Å |
| 134 | L | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 103.4 Ų | 103.4 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.4 | -177 | 64.4 | 0 | 0 | 0 | 111.4 | Q130 D131 R136 Q137 L138 | Q130-L134 PolarHBondContact O-N 2.94Å; D131-L134 PolarHBondContact O-N 3.14Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.21Å; L134-Q137 WeakPolarHBondContact O-CB 3.26Å; L134-Q137 PolarHBondContact O-N 2.86Å; L134-Q137 VanDerWaalsContact O-N 3.12Å; L134-L138 HydrophobicContact CD1-CG 4.46Å; L134-L138 HydrophobicContact CG-CD1 4.13Å; L134-L138 HydrophobicContact CG-CG 4.47Å; L134-L138 WeakPolarHBondContact O-CG 3.41Å; L134-L138 PolarHBondContact O-N 3.48Å |
| 135 | A | 98.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 104.5 Ų | 104.5 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D131 Q133 L138 M139 | D131-A135 VanDerWaalsContact O-CB 3.3Å; D131-A135 WeakPolarHBondContact O-CB 3.45Å; D131-A135 PolarHBondContact O-N 3.48Å; Q133-A135 PolarHBondContact O-N 3Å; A135-L138 PolarHBondContact O-N 3.05Å; A135-M139 WeakPolarHBondContact O-CB 3.3Å; A135-M139 VanDerWaalsContact O-CG 3.26Å; A135-M139 WeakPolarHBondContact O-CG 3.47Å; A135-M139 PolarHBondContact O-N 3.33Å |
| 136 | R | 98.5 | Very high | 98.5 | Very high | 150 Ų | 150 | 106.2 Ų | 106.2 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 175.3 | -69.4 | 171.5 | -157.1 | -138.3 | 8.2 | 111.8 | Q132 Q133 L134 M139 R140 | Q132-R136 VanDerWaalsContact O-CG 3.25Å; Q132-R136 WeakPolarHBondContact O-CG 3.42Å; Q132-R136 PolarHBondContact O-N 3.44Å; Q132-R136 VanDerWaalsContact O-N 3.14Å; Q133-R136 WeakPolarHBondContact O-CB 3.25Å; Q133-R136 PolarHBondContact O-N 3.43Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.21Å; R136-M139 PolarHBondContact O-N 3.07Å; R136-R140 WeakPolarHBondContact O-CG 3.36Å; R136-R140 PolarHBondContact O-N 3.46Å; R136-R140 VanDerWaalsContact O-N 3.1Å |
| 137 | Q | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 176.6 | -72.3 | 176.7 | -27.1 | 0 | 0 | 111.4 | Q133 L134 M139 R140 L141 | Q133-Q137 WeakPolarHBondContact O-CG 3.45Å; Q133-Q137 PolarHBondContact O-N 2.92Å; L134-Q137 WeakPolarHBondContact O-CB 3.26Å; L134-Q137 PolarHBondContact O-N 2.86Å; L134-Q137 VanDerWaalsContact O-N 3.12Å; Q137-M139 VanDerWaalsContact C-N 3.33Å; Q137-M139 PolarHBondContact O-N 3.21Å; Q137-R140 PolarHBondContact O-N 3.42Å; Q137-L141 WeakPolarHBondContact O-CG 3.27Å; Q137-L141 PolarHBondContact O-N 3.09Å |
| 138 | L | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 108.7 Ų | 108.7 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177.6 | -72.3 | 173.6 | 0 | 0 | 0 | 112.2 | L134 A135 L141 R142 | L134-L138 HydrophobicContact CD1-CG 4.46Å; L134-L138 HydrophobicContact CG-CD1 4.13Å; L134-L138 HydrophobicContact CG-CG 4.47Å; L134-L138 WeakPolarHBondContact O-CG 3.41Å; L134-L138 PolarHBondContact O-N 3.48Å; A135-L138 PolarHBondContact O-N 3.05Å; L138-L141 PolarHBondContact O-N 2.86Å; L138-R142 VanDerWaalsContact O-CB 3.27Å; L138-R142 WeakPolarHBondContact O-CB 3.48Å; L138-R142 PolarHBondContact O-N 3.39Å |
| 139 | M | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 107.7 Ų | 107.7 | 60% | 0.601 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 175.8 | -74.4 | -65.2 | -73 | 0 | 0 | 112.3 | A135 R136 Q137 R142 S143 | A135-M139 WeakPolarHBondContact O-CB 3.3Å; A135-M139 VanDerWaalsContact O-CG 3.26Å; A135-M139 WeakPolarHBondContact O-CG 3.47Å; A135-M139 PolarHBondContact O-N 3.33Å; R136-M139 PolarHBondContact O-N 3.07Å; Q137-M139 VanDerWaalsContact C-N 3.33Å; Q137-M139 PolarHBondContact O-N 3.21Å; M139-R142 PolarHBondContact O-N 3.44Å; M139-S143 PolarHBondContact O-N 2.91Å; M139-S143 PolarHBondContact O-OG 3.3Å |
| 140 | R | 98.6 | Very high | 98.6 | Very high | 158 Ų | 158 | 107.4 Ų | 107.4 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -48.6 | 174.6 | -68.7 | 168.4 | -173.4 | 165.4 | 0.2 | 111.7 | R136 Q137 R142 S143 D144 | R136-R140 WeakPolarHBondContact O-CG 3.36Å; R136-R140 PolarHBondContact O-N 3.46Å; R136-R140 VanDerWaalsContact O-N 3.1Å; Q137-R140 PolarHBondContact O-N 3.42Å; R140-R142 VanDerWaalsContact C-N 3.26Å; R140-R142 PolarHBondContact O-N 2.99Å; R140-S143 WeakPolarHBondContact CA-OG 3.4Å; R140-S143 PolarHBondContact O-N 3.39Å; R140-S143 VanDerWaalsContact O-N 3.09Å; R140-S143 PolarHBondContact O-OG 3.33Å; R140-D144 PolarHBondContact O-N 3.43Å |
| 141 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 106 Ų | 106 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 176.5 | -71.2 | 172.3 | 0 | 0 | 0 | 111.3 | Q137 L138 S143 D144 I145 | Q137-L141 WeakPolarHBondContact O-CG 3.27Å; Q137-L141 PolarHBondContact O-N 3.09Å; L138-L141 PolarHBondContact O-N 2.86Å; L141-S143 PolarHBondContact O-N 3.44Å; L141-D144 PolarHBondContact O-N 3.1Å; L141-I145 WeakPolarHBondContact O-CB 3.49Å; L141-I145 WeakPolarHBondContact O-CD1 3.4Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 3.32Å |
| 142 | R | 98.6 | Very high | 98.6 | Very high | 177 Ų | 177 | 107.5 Ų | 107.5 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 175.9 | -179 | 178.2 | 176.2 | -90.8 | -0.6 | 111.9 | L138 M139 R140 N146 | L138-R142 VanDerWaalsContact O-CB 3.27Å; L138-R142 WeakPolarHBondContact O-CB 3.48Å; L138-R142 PolarHBondContact O-N 3.39Å; M139-R142 PolarHBondContact O-N 3.44Å; R140-R142 VanDerWaalsContact C-N 3.26Å; R140-R142 PolarHBondContact O-N 2.99Å; R142-N146 WeakPolarHBondContact O-CB 3.33Å; R142-N146 PolarHBondContact O-N 3.43Å |
| 143 | S | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 106.7 Ų | 106.7 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 176.3 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | M139 R140 L141 N146 K147 | M139-S143 PolarHBondContact O-N 2.91Å; M139-S143 PolarHBondContact O-OG 3.3Å; R140-S143 WeakPolarHBondContact CA-OG 3.4Å; R140-S143 PolarHBondContact O-N 3.39Å; R140-S143 VanDerWaalsContact O-N 3.09Å; R140-S143 PolarHBondContact O-OG 3.33Å; L141-S143 PolarHBondContact O-N 3.44Å; S143-N146 PolarHBondContact O-N 2.73Å; S143-K147 PolarHBondContact O-N 3.17Å |
| 144 | D | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 105 Ų | 105 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | -179.4 | -63 | -18.6 | 0 | 0 | 0 | 111.1 | R140 L141 N146 K147 L148 | R140-D144 PolarHBondContact O-N 3.43Å; L141-D144 PolarHBondContact O-N 3.1Å; D144-N146 VanDerWaalsContact C-N 3.27Å; D144-N146 PolarHBondContact O-N 3.28Å; D144-K147 PolarHBondContact O-N 3.01Å; D144-L148 WeakPolarHBondContact O-CG 3.44Å; D144-L148 PolarHBondContact O-N 2.89Å |
| 145 | I | 98.5 | Very high | 98.5 | Very high | 101 Ų | 101 | 106.7 Ų | 106.7 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.9 | -43.7 | 173.3 | -69.5 | 164.7 | 0 | 0 | 0 | 110.2 | L141 L148 K149 | L141-I145 WeakPolarHBondContact O-CB 3.49Å; L141-I145 WeakPolarHBondContact O-CD1 3.4Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 3.32Å; I145-L148 PolarHBondContact O-N 3.48Å; I145-K149 HydrophobicContact CG2-CD 4.09Å; I145-K149 HydrophobicContact CG2-CG 4.39Å; I145-K149 WeakPolarHBondContact O-CB 3.27Å; I145-K149 VanDerWaalsContact O-CG 3.27Å; I145-K149 WeakPolarHBondContact O-CG 3.33Å; I145-K149 PolarHBondContact O-N 2.89Å |
| 146 | N | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 110.1 Ų | 110.1 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 179.7 | -168.2 | 59.6 | 0 | 0 | 0 | 112 | R142 S143 D144 K149 I150 | R142-N146 WeakPolarHBondContact O-CB 3.33Å; R142-N146 PolarHBondContact O-N 3.43Å; S143-N146 PolarHBondContact O-N 2.73Å; D144-N146 VanDerWaalsContact C-N 3.27Å; D144-N146 PolarHBondContact O-N 3.28Å; N146-K149 PolarHBondContact O-N 3.37Å; N146-I150 WeakPolarHBondContact O-CG1 3.2Å; N146-I150 PolarHBondContact O-N 2.91Å |
| 147 | K | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 107.8 Ų | 107.8 | 53% | 0.53 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 174.5 | 178.9 | 175 | -177.3 | -70 | 0 | 111.1 | S143 D144 K149 I150 E151 | S143-K147 PolarHBondContact O-N 3.17Å; D144-K147 PolarHBondContact O-N 3.01Å; K147-K149 VanDerWaalsContact C-N 3.32Å; K147-K149 PolarHBondContact O-N 3.22Å; K147-I150 PolarHBondContact O-N 2.73Å; K147-E151 WeakPolarHBondContact CE-OE1 3.48Å; K147-E151 IonicContact NZ-OE1 2.78Å; K147-E151 PolarHBondContact NZ-OE1 3.05Å; K147-E151 IonicContact NZ-OE2 3.92Å; K147-E151 WeakPolarHBondContact O-CG 3.5Å; K147-E151 PolarHBondContact O-N 3.37Å |
| 148 | L | 98.7 | Very high | 98.5 | Very high | 107 Ų | 107 | 107.6 Ų | 107.6 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | 178 | -70.5 | 172.5 | 0 | 0 | 0 | 112.3 | D144 I145 E151 Q152 | D144-L148 WeakPolarHBondContact O-CG 3.44Å; D144-L148 PolarHBondContact O-N 2.89Å; I145-L148 PolarHBondContact O-N 3.48Å; L148-E151 PolarHBondContact O-N 3.23Å; L148-Q152 WeakPolarHBondContact O-CB 3.36Å; L148-Q152 PolarHBondContact O-N 3.36Å |
| 149 | K | 98.6 | Very high | 98.5 | Very high | 126 Ų | 126 | 111.2 Ų | 111.2 | 55% | 0.548 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.4 | -76.1 | -177.8 | 72.2 | 179.1 | 0 | 112.2 | I145 N146 K147 Q152 T153 | I145-K149 HydrophobicContact CG2-CD 4.09Å; I145-K149 HydrophobicContact CG2-CG 4.39Å; I145-K149 WeakPolarHBondContact O-CB 3.27Å; I145-K149 VanDerWaalsContact O-CG 3.27Å; I145-K149 WeakPolarHBondContact O-CG 3.33Å; I145-K149 PolarHBondContact O-N 2.89Å; N146-K149 PolarHBondContact O-N 3.37Å; K147-K149 VanDerWaalsContact C-N 3.32Å; K147-K149 PolarHBondContact O-N 3.22Å; K149-Q152 PolarHBondContact O-N 3.46Å; K149-T153 WeakPolarHBondContact O-CG2 3.34Å; K149-T153 PolarHBondContact O-N 2.9Å; K149-T153 PolarHBondContact O-OG1 3.45Å |
| 150 | I | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -49 | 175.8 | -67.3 | 164.8 | 0 | 0 | 0 | 109.6 | N146 K147 Q152 T153 C154 | N146-I150 WeakPolarHBondContact O-CG1 3.2Å; N146-I150 PolarHBondContact O-N 2.91Å; K147-I150 PolarHBondContact O-N 2.73Å; I150-Q152 VanDerWaalsContact C-N 3.32Å; I150-Q152 PolarHBondContact O-N 3.4Å; I150-T153 WeakPolarHBondContact CA-OG1 3.41Å; I150-T153 PolarHBondContact O-N 3.26Å; I150-T153 VanDerWaalsContact O-N 3.12Å; I150-T153 PolarHBondContact O-OG1 3.12Å; I150-C154 PolarHBondContact O-N 2.92Å; I150-C154 PolarHBondContact O-SG 2.97Å |
| 151 | E | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 107.5 Ų | 107.5 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 177.5 | -73.1 | 172.4 | 179.4 | 0 | 0 | 111.7 | K147 L148 T153 C154 H155 | K147-E151 WeakPolarHBondContact CE-OE1 3.48Å; K147-E151 IonicContact NZ-OE1 2.78Å; K147-E151 PolarHBondContact NZ-OE1 3.05Å; K147-E151 IonicContact NZ-OE2 3.92Å; K147-E151 WeakPolarHBondContact O-CG 3.5Å; K147-E151 PolarHBondContact O-N 3.37Å; L148-E151 PolarHBondContact O-N 3.23Å; E151-T153 PolarHBondContact O-N 2.91Å; E151-C154 PolarHBondContact O-N 2.91Å; E151-H155 PolarHBondContact O-CD2 2.66Å; E151-H155 PolarHBondContact O-N 2.86Å |
| 152 | Q | 98.4 | Very high | 98.4 | Very high | 137 Ų | 137 | 107.2 Ų | 107.2 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.6 | -46.6 | 175.3 | -175.1 | -174.8 | 14 | 0 | 0 | 112 | L148 K149 I150 C154 H155 L156 | L148-Q152 WeakPolarHBondContact O-CB 3.36Å; L148-Q152 PolarHBondContact O-N 3.36Å; K149-Q152 PolarHBondContact O-N 3.46Å; I150-Q152 VanDerWaalsContact C-N 3.32Å; I150-Q152 PolarHBondContact O-N 3.4Å; Q152-C154 VanDerWaalsContact C-N 3.34Å; Q152-H155 PolarHBondContact O-N 3.29Å; Q152-L156 WeakPolarHBondContact O-CB 3.42Å; Q152-L156 PolarHBondContact O-N 2.96Å |
| 153 | T | 97.9 | Very high | 98.3 | Very high | 84 Ų | 84 | 103 Ų | 103 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | K149 I150 E151 L156 H157 | K149-T153 WeakPolarHBondContact O-CG2 3.34Å; K149-T153 PolarHBondContact O-N 2.9Å; K149-T153 PolarHBondContact O-OG1 3.45Å; I150-T153 WeakPolarHBondContact CA-OG1 3.41Å; I150-T153 PolarHBondContact O-N 3.26Å; I150-T153 VanDerWaalsContact O-N 3.12Å; I150-T153 PolarHBondContact O-OG1 3.12Å; E151-T153 PolarHBondContact O-N 2.91Å; T153-L156 PolarHBondContact O-N 3.05Å; T153-H157 WeakPolarHBondContact O-CB 3.46Å; T153-H157 PolarHBondContact O-N 3.14Å |
| 154 | C | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 102.6 Ų | 102.6 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.9 | -69 | 0 | 0 | 0 | 0 | 111.4 | I150 E151 Q152 L156 H157 Q158 | I150-C154 PolarHBondContact O-N 2.92Å; I150-C154 PolarHBondContact O-SG 2.97Å; E151-C154 PolarHBondContact O-N 2.91Å; Q152-C154 VanDerWaalsContact C-N 3.34Å; C154-L156 PolarHBondContact O-N 3.22Å; C154-H157 PolarHBondContact O-N 2.86Å; C154-Q158 WeakPolarHBondContact O-CB 3.22Å; C154-Q158 PolarHBondContact O-N 3.38Å |
| 155 | H | 98.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 177.1 | -78.3 | -57.2 | 0 | 0 | 0 | 112.7 | E151 Q152 H157 Q158 R159 | E151-H155 PolarHBondContact O-CD2 2.66Å; E151-H155 PolarHBondContact O-N 2.86Å; Q152-H155 PolarHBondContact O-N 3.29Å; H155-H157 VanDerWaalsContact C-N 3.34Å; H155-Q158 PolarHBondContact O-N 3.31Å; H155-R159 PolarHBondContact O-N 3.31Å |
| 156 | L | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 103.7 Ų | 103.7 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 175.2 | -179.9 | 63.8 | 0 | 0 | 0 | 111.1 | Q152 T153 C154 R159 M160 | Q152-L156 WeakPolarHBondContact O-CB 3.42Å; Q152-L156 PolarHBondContact O-N 2.96Å; T153-L156 PolarHBondContact O-N 3.05Å; C154-L156 PolarHBondContact O-N 3.22Å; L156-R159 PolarHBondContact O-N 3.4Å; L156-M160 PolarHBondContact O-N 3.15Å |
| 157 | H | 98.5 | Very high | 97.8 | Very high | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.468 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.4 | -179.7 | 57.2 | 0 | 0 | 0 | 112.1 | T153 C154 H155 R159 M160 L161 | T153-H157 WeakPolarHBondContact O-CB 3.46Å; T153-H157 PolarHBondContact O-N 3.14Å; C154-H157 PolarHBondContact O-N 2.86Å; H155-H157 VanDerWaalsContact C-N 3.34Å; H157-R159 VanDerWaalsContact C-N 3.3Å; H157-R159 PolarHBondContact O-N 2.97Å; H157-M160 PolarHBondContact O-N 3.33Å; H157-L161 WeakPolarHBondContact NE2-CD1 3.44Å; H157-L161 WeakPolarHBondContact O-CG 3.45Å; H157-L161 PolarHBondContact O-N 3.07Å |
| 158 | Q | 98.3 | Very high | 97.5 | Very high | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 175.9 | -176 | 178.2 | 12 | 0 | 0 | 111.6 | C154 H155 L161 N162 | C154-Q158 WeakPolarHBondContact O-CB 3.22Å; C154-Q158 PolarHBondContact O-N 3.38Å; H155-Q158 PolarHBondContact O-N 3.31Å; Q158-L161 PolarHBondContact O-N 2.87Å; Q158-N162 WeakPolarHBondContact O-CB 3.43Å; Q158-N162 PolarHBondContact O-N 3.42Å; Q158-N162 PolarHBondContact O-ND2 3.3Å; Q158-N162 PolarHBondContact O-OD1 2.97Å |
| 159 | R | 98.3 | Very high | 97.1 | Very high | 174 Ų | 174 | 103.9 Ų | 103.9 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -47.3 | 176.1 | -168.8 | 179.6 | -163.1 | 134 | 4.7 | 111.5 | H155 L156 H157 L161 N162 D163 | H155-R159 PolarHBondContact O-N 3.31Å; L156-R159 PolarHBondContact O-N 3.4Å; H157-R159 VanDerWaalsContact C-N 3.3Å; H157-R159 PolarHBondContact O-N 2.97Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 3.5Å; R159-N162 PolarHBondContact O-N 3.44Å; R159-N162 VanDerWaalsContact O-N 3.14Å; R159-D163 PolarHBondContact O-N 3.38Å |
| 160 | M | 98.2 | Very high | 96.6 | Very high | 116 Ų | 116 | 101.5 Ų | 101.5 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 178.5 | -169.5 | -174.8 | 74.2 | 0 | 0 | 112.5 | L156 H157 A164 | L156-M160 PolarHBondContact O-N 3.15Å; H157-M160 PolarHBondContact O-N 3.33Å; M160-A164 WeakPolarHBondContact O-CB 3.42Å; M160-A164 PolarHBondContact O-N 2.93Å |
| 161 | L | 98.3 | Very high | 96 | Very high | 86 Ų | 86 | 105.2 Ų | 105.2 | 45% | 0.45 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 173.6 | -71.7 | 178.6 | 0 | 0 | 0 | 112 | H157 Q158 R159 A164 T165 | H157-L161 WeakPolarHBondContact NE2-CD1 3.44Å; H157-L161 WeakPolarHBondContact O-CG 3.45Å; H157-L161 PolarHBondContact O-N 3.07Å; Q158-L161 PolarHBondContact O-N 2.87Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 3.5Å; L161-A164 PolarHBondContact O-N 3.15Å; L161-T165 WeakPolarHBondContact O-CB 3.32Å; L161-T165 PolarHBondContact O-N 3.19Å; L161-T165 PolarHBondContact O-OG1 2.7Å |
| 162 | N | 97.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 107.2 Ų | 107.2 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.3 | -68.4 | -13 | 0 | 0 | 0 | 111.2 | Q158 R159 A164 T165 Y166 | Q158-N162 WeakPolarHBondContact O-CB 3.43Å; Q158-N162 PolarHBondContact O-N 3.42Å; Q158-N162 PolarHBondContact O-ND2 3.3Å; Q158-N162 PolarHBondContact O-OD1 2.97Å; R159-N162 PolarHBondContact O-N 3.44Å; R159-N162 VanDerWaalsContact O-N 3.14Å; N162-A164 PolarHBondContact O-N 3.46Å; N162-T165 PolarHBondContact O-N 3.14Å; N162-Y166 WeakPolarHBondContact O-CB 3.46Å; N162-Y166 PolarHBondContact O-N 3.43Å |
| 163 | D | 97.4 | Very high | 94.7 | Very high | 88 Ų | 88 | 106.9 Ų | 106.9 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 176.9 | -64.6 | -16.4 | 0 | 0 | 0 | 110.3 | R159 T165 Y166 E167 | R159-D163 PolarHBondContact O-N 3.38Å; D163-T165 VanDerWaalsContact C-N 3.32Å; D163-T165 PolarHBondContact O-N 3.31Å; D163-Y166 PolarHBondContact O-N 3.41Å; D163-E167 PolarHBondContact O-N 3.49Å |
| 164 | A | 97.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M160 L161 N162 L168 | M160-A164 WeakPolarHBondContact O-CB 3.42Å; M160-A164 PolarHBondContact O-N 2.93Å; L161-A164 PolarHBondContact O-N 3.15Å; N162-A164 PolarHBondContact O-N 3.46Å; A164-L168 PolarHBondContact O-N 2.89Å |
| 165 | T | 96.2 | Very high | 92.9 | Very high | 68 Ų | 68 | 106.9 Ų | 106.9 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 175.9 | -55 | 0 | 0 | 0 | 0 | 110.3 | L161 N162 D163 L168 E169 | L161-T165 WeakPolarHBondContact O-CB 3.32Å; L161-T165 PolarHBondContact O-N 3.19Å; L161-T165 PolarHBondContact O-OG1 2.7Å; N162-T165 PolarHBondContact O-N 3.14Å; D163-T165 VanDerWaalsContact C-N 3.32Å; D163-T165 PolarHBondContact O-N 3.31Å; T165-L168 WeakPolarHBondContact O-CB 3.48Å; T165-L168 PolarHBondContact O-N 3.4Å; T165-L168 VanDerWaalsContact O-N 3.14Å; T165-E169 WeakPolarHBondContact O-CG 2.92Å; T165-E169 PolarHBondContact O-N 3.48Å |
| 166 | Y | 95.7 | Very high | 91.9 | Very high | 140 Ų | 140 | 106 Ų | 106 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.1 | -174.5 | -109.1 | 0 | 0 | 0 | 112 | N162 D163 L168 E169 E170 | N162-Y166 WeakPolarHBondContact O-CB 3.46Å; N162-Y166 PolarHBondContact O-N 3.43Å; D163-Y166 PolarHBondContact O-N 3.41Å; Y166-L168 PolarHBondContact O-N 3.21Å; Y166-E169 PolarHBondContact O-N 2.88Å; Y166-E170 HydrophobicContact CD1-CG 4.27Å; Y166-E170 VanDerWaalsContact CE1-CD 3.47Å; Y166-E170 HydrophobicContact CE1-CG 3.97Å; Y166-E170 WeakPolarHBondContact CE1-OE1 3.47Å; Y166-E170 HydrophobicContact CE2-CG 4.43Å; Y166-E170 VanDerWaalsContact CZ-OE1 3.3Å; Y166-E170 WeakPolarHBondContact O-CG 3.42Å; Y166-E170 PolarHBondContact O-N 2.91Å; Y166-E170 PolarHBondContact OH-OE1 3.23Å |
| 167 | E | 93.2 | Very high | 90.8 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.4 | -32.7 | 174.5 | -77.5 | -170.6 | 63 | 0 | 0 | 113 | D163 R171 | D163-E167 PolarHBondContact O-N 3.49Å; E167-R171 VanDerWaalsContact O-CG 3.32Å; E167-R171 WeakPolarHBondContact O-CG 3.4Å; E167-R171 PolarHBondContact O-N 3.4Å; E167-R171 IonicContact OE1-NH2 2.81Å |
| 168 | L | 92.2 | Very high | 89.1 | Confident | 122 Ų | 122 | 108.5 Ų | 108.5 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.8 | -44.6 | 177 | -175 | 66.6 | 0 | 0 | 0 | 111.4 | A164 T165 Y166 R171 D172 | A164-L168 PolarHBondContact O-N 2.89Å; T165-L168 WeakPolarHBondContact O-CB 3.48Å; T165-L168 PolarHBondContact O-N 3.4Å; T165-L168 VanDerWaalsContact O-N 3.14Å; Y166-L168 PolarHBondContact O-N 3.21Å; L168-R171 PolarHBondContact O-N 3.33Å; L168-D172 PolarHBondContact O-N 3.49Å |
| 169 | E | 91.5 | Very high | 87.3 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 175.7 | -71.9 | 172 | 178.4 | 0 | 0 | 110.9 | T165 Y166 R171 D172 E173 | T165-E169 WeakPolarHBondContact O-CG 2.92Å; T165-E169 PolarHBondContact O-N 3.48Å; Y166-E169 PolarHBondContact O-N 2.88Å; E169-R171 VanDerWaalsContact C-N 3.31Å; E169-R171 PolarHBondContact O-N 3.24Å; E169-D172 PolarHBondContact O-N 2.89Å; E169-D172 VanDerWaalsContact O-N 3.14Å; E169-E173 WeakPolarHBondContact O-CG 3.3Å; E169-E173 PolarHBondContact O-N 3.23Å |
| 170 | E | 88 | Confident | 85.1 | Confident | 77 Ų | 77 | 106 Ų | 106 | 36% | 0.36 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 174.9 | -74.2 | -174.2 | 154.4 | 0 | 0 | 111.7 | Y166 D172 L174 | Y166-E170 HydrophobicContact CD1-CG 4.27Å; Y166-E170 VanDerWaalsContact CE1-CD 3.47Å; Y166-E170 HydrophobicContact CE1-CG 3.97Å; Y166-E170 WeakPolarHBondContact CE1-OE1 3.47Å; Y166-E170 HydrophobicContact CE2-CG 4.43Å; Y166-E170 VanDerWaalsContact CZ-OE1 3.3Å; Y166-E170 WeakPolarHBondContact O-CG 3.42Å; Y166-E170 PolarHBondContact O-N 2.91Å; Y166-E170 PolarHBondContact OH-OE1 3.23Å; E170-D172 VanDerWaalsContact C-N 3.34Å; E170-D172 PolarHBondContact O-N 3.3Å; E170-L174 WeakPolarHBondContact O-CB 2.97Å; E170-L174 WeakPolarHBondContact O-CD1 3.41Å; E170-L174 PolarHBondContact O-N 3.49Å |
| 171 | R | 84.8 | Confident | 82.9 | Confident | 164 Ų | 164 | 108.1 Ų | 108.1 | 62% | 0.619 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -35.3 | 178.5 | -73.5 | 178.6 | -171.4 | 177.3 | 9.6 | 112.8 | E167 L168 E169 S175 | E167-R171 VanDerWaalsContact O-CG 3.32Å; E167-R171 WeakPolarHBondContact O-CG 3.4Å; E167-R171 PolarHBondContact O-N 3.4Å; E167-R171 IonicContact OE1-NH2 2.81Å; L168-R171 PolarHBondContact O-N 3.33Å; E169-R171 VanDerWaalsContact C-N 3.31Å; E169-R171 PolarHBondContact O-N 3.24Å; R171-S175 WeakPolarHBondContact O-CB 3.34Å; R171-S175 PolarHBondContact O-N 2.91Å; R171-S175 PolarHBondContact O-OG 3.01Å |
| 172 | D | 84.6 | Confident | 80.8 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.6 | -47.7 | 176.6 | -164.4 | 50.9 | 0 | 0 | 0 | 110.6 | L168 E169 E170 L174 S175 D176 | L168-D172 PolarHBondContact O-N 3.49Å; E169-D172 PolarHBondContact O-N 2.89Å; E169-D172 VanDerWaalsContact O-N 3.14Å; E170-D172 VanDerWaalsContact C-N 3.34Å; E170-D172 PolarHBondContact O-N 3.3Å; D172-L174 PolarHBondContact O-N 3.14Å; D172-S175 CarbonylContact O-C 3.58Å; D172-S175 WeakPolarHBondContact O-CA 2.92Å; D172-S175 WeakPolarHBondContact O-CB 3.34Å; D172-S175 PolarHBondContact O-N 2.96Å; D172-D176 PolarHBondContact O-N 3.25Å |
| 173 | E | 85.8 | Confident | 78.6 | Confident | 130 Ų | 130 | 109.1 Ų | 109.1 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.6 | -44.2 | 174.4 | -71.1 | -178.9 | 177.8 | 0 | 0 | 112.1 | E169 S175 D176 L177 | E169-E173 WeakPolarHBondContact O-CG 3.3Å; E169-E173 PolarHBondContact O-N 3.23Å; E173-S175 VanDerWaalsContact C-N 3.31Å; E173-S175 PolarHBondContact O-N 3.25Å; E173-D176 PolarHBondContact O-N 2.72Å; E173-L177 WeakPolarHBondContact O-CG 3.43Å; E173-L177 PolarHBondContact O-N 2.99Å; E173-L177 VanDerWaalsContact O-N 3.14Å |
| 174 | L | 80.4 | Confident | 76.4 | Confident | 95 Ų | 95 | 113.4 Ų | 113.4 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.4 | -42.3 | 173.6 | -92.8 | 82.5 | 0 | 0 | 0 | 110.9 | E170 D172 L177 F178 | E170-L174 WeakPolarHBondContact O-CB 2.97Å; E170-L174 WeakPolarHBondContact O-CD1 3.41Å; E170-L174 PolarHBondContact O-N 3.49Å; D172-L174 PolarHBondContact O-N 3.14Å; L174-L177 PolarHBondContact O-N 2.97Å; L174-F178 HydrophobicContact CB-CE2 4.43Å; L174-F178 WeakPolarHBondContact O-CD2 3.41Å; L174-F178 PolarHBondContact O-N 3.13Å; L174-F178 VanDerWaalsContact O-N 3.13Å |
| 175 | S | 78 | Confident | 74.4 | Confident | 60 Ų | 60 | 116.3 Ų | 116.3 | 42% | 0.42 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -40.6 | 179.6 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | R171 D172 E173 F178 C179 | R171-S175 WeakPolarHBondContact O-CB 3.34Å; R171-S175 PolarHBondContact O-N 2.91Å; R171-S175 PolarHBondContact O-OG 3.01Å; D172-S175 CarbonylContact O-C 3.58Å; D172-S175 WeakPolarHBondContact O-CA 2.92Å; D172-S175 WeakPolarHBondContact O-CB 3.34Å; D172-S175 PolarHBondContact O-N 2.96Å; E173-S175 VanDerWaalsContact C-N 3.31Å; E173-S175 PolarHBondContact O-N 3.25Å; S175-F178 CarbonylContact O-C 3.52Å; S175-F178 PolarHBondContact O-N 3.28Å; S175-F178 VanDerWaalsContact O-N 3.14Å; S175-C179 PolarHBondContact O-N 3.07Å; S175-C179 PolarHBondContact O-SG 3.13Å |
| 176 | D | 77.9 | Confident | 72.3 | Confident | 107 Ų | 107 | 117.2 Ų | 117.2 | 57% | 0.572 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 177.5 | -157.9 | 35.4 | 0 | 0 | 0 | 111.3 | D172 E173 F178 C179 D180 | D172-D176 PolarHBondContact O-N 3.25Å; E173-D176 PolarHBondContact O-N 2.72Å; D176-F178 VanDerWaalsContact C-N 3.26Å; D176-F178 PolarHBondContact O-N 3.14Å; D176-C179 PolarHBondContact O-N 3.44Å; D176-D180 PolarHBondContact O-N 3.41Å |
| 177 | L | 73.9 | Confident | 70.2 | Confident | 132 Ų | 132 | 119.4 Ų | 119.4 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.9 | -32.1 | 172.8 | -69.5 | 169.4 | 0 | 0 | 0 | 113.2 | E173 L174 | E173-L177 WeakPolarHBondContact O-CG 3.43Å; E173-L177 PolarHBondContact O-N 2.99Å; E173-L177 VanDerWaalsContact O-N 3.14Å; L174-L177 PolarHBondContact O-N 2.97Å |
| 178 | F | 63.7 | Low | 68.5 | Low | 143 Ų | 143 | 118 Ų | 118 | 63% | 0.627 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.1 | -14.1 | 174.3 | -71.7 | -62.7 | 0 | 0 | 0 | 113.6 | L174 S175 D176 | L174-F178 HydrophobicContact CB-CE2 4.43Å; L174-F178 WeakPolarHBondContact O-CD2 3.41Å; L174-F178 PolarHBondContact O-N 3.13Å; L174-F178 VanDerWaalsContact O-N 3.13Å; S175-F178 CarbonylContact O-C 3.52Å; S175-F178 PolarHBondContact O-N 3.28Å; S175-F178 VanDerWaalsContact O-N 3.14Å; D176-F178 VanDerWaalsContact C-N 3.26Å; D176-F178 PolarHBondContact O-N 3.14Å |
| 179 | C | 59.4 | Low | 66.8 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -85.5 | -21.3 | 178.1 | -72.3 | 0 | 0 | 0 | 0 | 113.4 | S175 D176 F181 | S175-C179 PolarHBondContact O-N 3.07Å; S175-C179 PolarHBondContact O-SG 3.13Å; D176-C179 PolarHBondContact O-N 3.44Å; C179-F181 VanDerWaalsContact C-N 3.31Å |
| 180 | D | 52.6 | Low | 65 | Low | 140 Ų | 140 | 114.4 Ų | 114.4 | 75% | 0.749 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -79.8 | -9.5 | 175.6 | -81.2 | -17.3 | 0 | 0 | 0 | 114.2 | D176 | D176-D180 PolarHBondContact O-N 3.41Š|
| 181 | F | 53.2 | Low | 63.7 | Low | 160 Ų | 160 | 116.7 Ų | 116.7 | 70% | 0.702 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -90.1 | 129.9 | 168.7 | -147.3 | 57.7 | 0 | 0 | 0 | 108.6 | C179 L183 | C179-F181 VanDerWaalsContact C-N 3.31Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 3.14Å |
| 182 | P | 53 | Low | 62.5 | Low | 95 Ų | 95 | 112.8 Ų | 112.8 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | trans | -63.4 | 105.6 | 176.2 | 27.7 | -30.4 | 0 | 0 | 0 | 106.1 | M184 | P182-M184 PolarHBondContact O-N 3.42Š| ||
| 183 | L | 52.6 | Low | 61.4 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | trans | -62.3 | 72.2 | 169 | -86.4 | 151.7 | 0 | 0 | 0 | 108.1 | F181 T185 | F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 3.14Å; L183-T185 HydrophobicContact CD2-CG2 3.64Å; L183-T185 PolarHBondContact O-N 3.47Å | ||
| 184 | M | 49.5 | Very low | 60.2 | Low | 179 Ų | 179 | 112 Ų | 112 | 88% | 0.882 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 53.8 | 158.5 | -71.7 | -169.6 | 63.3 | 0 | 0 | 108.7 | P182 | P182-M184 PolarHBondContact O-N 3.42Š|
| 185 | T | 55.6 | Low | 59.2 | Low | 117 Ų | 117 | 115.3 Ų | 115.3 | 72% | 0.718 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.3 | 17.4 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 114.3 | L183 | L183-T185 HydrophobicContact CD2-CG2 3.64Å; L183-T185 PolarHBondContact O-N 3.47Å |
| 186 | S | 52 | Low | 58.5 | Low | 87 Ų | 87 | 118.8 Ų | 118.8 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | trans | -126.2 | 25.7 | 173.8 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 187 | F | 51.9 | Low | 57.9 | Low | 187 Ų | 187 | 116.3 Ų | 116.3 | 82% | 0.82 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -100.1 | 83.1 | 163.5 | -75.1 | -76.6 | 0 | 0 | 0 | 112.3 | ||
| 188 | S | 58.6 | Low | 57.6 | Low | 71 Ų | 71 | 111.5 Ų | 111.5 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | trans | 42.9 | 85.7 | 136.6 | 61.1 | 0 | 0 | 0 | 0 | 118.7 | K200 | S188-K200 VanDerWaalsContact O-CE 3.3Å; S188-K200 WeakPolarHBondContact O-CE 3.46Å; S188-K200 PolarHBondContact OG-NZ 2.85Å; S188-K200 VanDerWaalsContact OG-NZ 3.07Å | ||
| 189 | L | 54.9 | Low | 57.9 | Low | 66 Ų | 66 | 108.3 Ų | 108.3 | 35% | 0.346 | 61% | 0.609 | S | S | . | * | -138.1 | 121 | 129.3 | -72.2 | 178.8 | 0 | 0 | 0 | 106.9 | T191 K200 | L189-T191 PolarHBondContact O-N 2.87Å; L189-K200 HydrophobicContact CD1-CG 4.35Å; L189-K200 HydrophobicContact CD2-CG 4.19Å; L189-K200 HydrophobicContact CG-CG 4.38Å | |||
| 190 | S | 55.7 | Low | 58.3 | Low | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | trans | -51.2 | 142.5 | 168.9 | 55 | 0 | 0 | 0 | 0 | 108.4 | P192 | S190-P192 VanDerWaalsContact C-N 3.3Å; S190-P192 WeakPolarHBondContact O-CD 3.41Å | ||
| 191 | T | 59.1 | Low | 58.8 | Low | 126 Ų | 126 | 109.8 Ų | 109.8 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53.3 | -19.2 | -173.1 | 18.9 | 0 | 0 | 0 | 0 | 117.7 | L189 | L189-T191 PolarHBondContact O-N 2.87Å |
| 192 | P | 60.9 | Low | 59.4 | Low | 81 Ų | 81 | 106.1 Ų | 106.1 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.9 | -33.8 | -179.8 | 23.8 | -35 | 0 | 0 | 0 | 115.2 | S190 | S190-P192 VanDerWaalsContact C-N 3.3Å; S190-P192 WeakPolarHBondContact O-CD 3.41Å |
| 193 | L | 60.9 | Low | 60 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 37% | 0.366 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -83.6 | -20.9 | -171.9 | -64.6 | 178.3 | 0 | 0 | 0 | 113.6 | I196 V198 | L193-I196 PolarHBondContact O-N 3.11Å; L193-V198 HydrophobicContact CB-CB 4.37Å; L193-V198 PolarHBondContact O-N 2.95Å; L193-V198 VanDerWaalsContact O-N 3.15Å |
| 194 | K | 61.3 | Low | 60.4 | Low | 162 Ų | 162 | 107.4 Ų | 107.4 | 70% | 0.704 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.9 | -32 | -179.5 | -151.9 | 174.8 | -176.7 | -179.6 | 0 | 112 | I196 G197 | K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 3.02Å; K194-G197 PolarHBondContact O-N 3.21Å |
| 195 | L | 58.5 | Low | 61.1 | Low | 164 Ų | 164 | 103 Ų | 103 | 86% | 0.859 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -23.2 | 179.1 | -168.4 | 63.4 | 0 | 0 | 0 | 113 | G197 | L195-G197 VanDerWaalsContact C-N 3.34Š|
| 196 | I | 64.3 | Low | 61.5 | Low | 133 Ų | 133 | 106.4 Ų | 106.4 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 3.7 | 178.3 | -57.4 | 159.2 | 0 | 0 | 0 | 110.8 | L193 K194 V198 | L193-I196 PolarHBondContact O-N 3.11Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 3.02Å; I196-V198 VanDerWaalsContact C-N 3.33Å; I196-V198 HydrophobicContact CB-CG2 4.43Å; I196-V198 HydrophobicContact CG2-CG2 4.25Å; I196-V198 PolarHBondContact O-N 2.87Å |
| 197 | G | 63.8 | Low | 62 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.9 | 14.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K194 L195 | K194-G197 PolarHBondContact O-N 3.21Å; L195-G197 VanDerWaalsContact C-N 3.34Å |
| 198 | V | 68.4 | Low | 61.9 | Low | 32 Ų | 32 | 113.4 Ų | 113.4 | 19% | 0.194 | 59% | 0.591 | C | S | . | * | trans | -84.3 | 117.6 | 179.8 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | L193 I196 N202 I203 | L193-V198 HydrophobicContact CB-CB 4.37Å; L193-V198 PolarHBondContact O-N 2.95Å; L193-V198 VanDerWaalsContact O-N 3.15Å; I196-V198 VanDerWaalsContact C-N 3.33Å; I196-V198 HydrophobicContact CB-CG2 4.43Å; I196-V198 HydrophobicContact CG2-CG2 4.25Å; I196-V198 PolarHBondContact O-N 2.87Å; V198-N202 HydrophobicContact CG1-CB 4.07Å; V198-I203 HydrophobicContact CG1-CD1 4.27Å; V198-I203 HydrophobicContact CG1-CG1 3.93Å | ||
| 199 | T | 70.1 | Confident | 61.7 | Low | 75 Ų | 75 | 115.6 Ų | 115.6 | 46% | 0.46 | 61% | 0.606 | S | S | . | * | trans | -107.4 | 165.5 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | M201 N202 I203 | T199-M201 PolarHBondContact O-N 3.44Å; T199-N202 WeakPolarHBondContact O-CA 3.24Å; T199-N202 VanDerWaalsContact O-CB 3.24Å; T199-N202 WeakPolarHBondContact O-CB 3.47Å; T199-N202 PolarHBondContact O-N 3.42Å; T199-I203 PolarHBondContact O-N 2.84Å | ||
| 200 | K | 67.2 | Low | 61.4 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -55.1 | -27.5 | 176.2 | -78.2 | -163.3 | 178.7 | 176.5 | 0 | 113.4 | S188 L189 N202 I203 N204 | S188-K200 VanDerWaalsContact O-CE 3.3Å; S188-K200 WeakPolarHBondContact O-CE 3.46Å; S188-K200 PolarHBondContact OG-NZ 2.85Å; S188-K200 VanDerWaalsContact OG-NZ 3.07Å; L189-K200 HydrophobicContact CD1-CG 4.35Å; L189-K200 HydrophobicContact CD2-CG 4.19Å; L189-K200 HydrophobicContact CG-CG 4.38Å; K200-N202 VanDerWaalsContact C-N 3.29Å; K200-N202 PolarHBondContact O-N 3.46Å; K200-I203 PolarHBondContact O-N 3.07Å; K200-N204 PolarHBondContact O-N 3.16Å |
| 201 | M | 63.3 | Low | 60.6 | Low | 155 Ų | 155 | 125.6 Ų | 125.6 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.1 | -30.7 | 174.2 | -170.4 | 161.7 | 66.9 | 0 | 0 | 112.8 | T199 S205 | T199-M201 PolarHBondContact O-N 3.44Å; M201-S205 PolarHBondContact O-OG 3.39Å |
| 202 | N | 65.6 | Low | 60.6 | Low | 83 Ų | 83 | 125.6 Ų | 125.6 | 44% | 0.444 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -76.1 | -34.6 | 178.4 | -159.5 | -85.2 | 0 | 0 | 0 | 112.1 | V198 T199 K200 S205 | V198-N202 HydrophobicContact CG1-CB 4.07Å; T199-N202 WeakPolarHBondContact O-CA 3.24Å; T199-N202 VanDerWaalsContact O-CB 3.24Å; T199-N202 WeakPolarHBondContact O-CB 3.47Å; T199-N202 PolarHBondContact O-N 3.42Å; K200-N202 VanDerWaalsContact C-N 3.29Å; K200-N202 PolarHBondContact O-N 3.46Å; N202-S205 PolarHBondContact O-OG 2.66Å |
| 203 | I | 66.1 | Low | 60.6 | Low | 88 Ų | 88 | 127.9 Ų | 127.9 | 45% | 0.451 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -75.9 | -38.9 | -178.9 | -59.1 | 171.6 | 0 | 0 | 0 | 111.5 | V198 T199 K200 S205 | V198-I203 HydrophobicContact CG1-CD1 4.27Å; V198-I203 HydrophobicContact CG1-CG1 3.93Å; T199-I203 PolarHBondContact O-N 2.84Å; K200-I203 PolarHBondContact O-N 3.07Å; I203-S205 VanDerWaalsContact C-N 3.32Å; I203-S205 PolarHBondContact O-N 3.24Å |
| 204 | N | 61.5 | Low | 60.6 | Low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -10.5 | -176.5 | -77.7 | -25.2 | 0 | 0 | 0 | 114.9 | K200 | K200-N204 PolarHBondContact O-N 3.16Š|
| 205 | S | 63.9 | Low | 60.5 | Low | 85 Ų | 85 | 129.3 Ų | 129.3 | 59% | 0.594 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -9.2 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | M201 N202 I203 | M201-S205 PolarHBondContact O-OG 3.39Å; N202-S205 PolarHBondContact O-OG 2.66Å; I203-S205 VanDerWaalsContact C-N 3.32Å; I203-S205 PolarHBondContact O-N 3.24Å |
| 206 | R | 64 | Low | 60.7 | Low | 190 Ų | 190 | 127.1 Ų | 127.1 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | trans | -112.5 | 85.8 | 178.1 | -66.4 | -175.3 | -179.8 | -122.4 | 0.5 | 110.6 | F208 | R206-F208 PolarHBondContact O-N 2.75Å; R206-F208 VanDerWaalsContact O-N 3.13Å | ||
| 207 | R | 62.3 | Low | 60.4 | Low | 236 Ų | 236 | 126.7 Ų | 126.7 | 89% | 0.891 | 67% | 0.672 | S | S | * | * | trans | -65.1 | 106.7 | 162.5 | -70.8 | 178.3 | 174.6 | -110.9 | -0.3 | 107.2 | S209 | R207-S209 PolarHBondContact O-N 2.99Š| ||
| 208 | F | 49.9 | Very low | 60.2 | Low | 185 Ų | 185 | 131.9 Ų | 131.9 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | trans | -60.2 | 107.4 | 161.9 | -66.7 | -85.3 | 0 | 0 | 0 | 107 | R206 L210 | R206-F208 PolarHBondContact O-N 2.75Å; R206-F208 VanDerWaalsContact O-N 3.13Å; F208-L210 PolarHBondContact O-N 3.34Å | ||
| 209 | S | 53 | Low | 59.6 | Low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -74 | 101.9 | 156.7 | 57.7 | 0 | 0 | 0 | 0 | 106 | R207 | R207-S209 PolarHBondContact O-N 2.99Š| ||
| 210 | L | 49.5 | Very low | 58.7 | Low | 157 Ų | 157 | 144.9 Ų | 144.9 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -84.1 | 134.7 | 160.8 | -68.2 | 171.1 | 0 | 0 | 0 | 107 | F208 | F208-L210 PolarHBondContact O-N 3.34Š| ||
| 211 | C | 37.8 | Very low | 57.9 | Low | 203 Ų | 203 | 148.7 Ų | 148.7 | 100% | 1.372 | 77% | 0.765 | S | S | * | * | trans | -55.2 | 0 | 173.7 | -60.5 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 211 of 211 residues in 146.3 ms
(Link to these results)