| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.5 | Very low | 55.3 | Low | 245 Ų | 245 | 154.9 Ų | 154.9 | 100% | 1.207 | 78% | 0.778 | S | S | * | * | 0 | 110.4 | 0 | -69.6 | -179.7 | 171.8 | 0 | 0 | 108.4 | R3 | M1-R3 PolarHBondContact O-N 3.36Š| |||
| 2 | A | 46.9 | Very low | 56.6 | Low | 109 Ų | 109 | 156.8 Ų | 156.8 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -80.3 | 116.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M4 | A2-M4 PolarHBondContact O-N 3.39Š| ||
| 3 | R | 47.1 | Very low | 58 | Low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | -75.9 | 112.5 | 172.7 | -80.9 | 179.1 | 159.2 | -172.6 | -5.2 | 108.6 | M1 I5 | M1-R3 PolarHBondContact O-N 3.36Å; R3-I5 PolarHBondContact O-N 2.87Å | ||
| 4 | M | 50.5 | Low | 59.1 | Low | 185 Ų | 185 | 149.9 Ų | 149.9 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | trans | -75.9 | 111 | 167.5 | -171.4 | -175.3 | -68.1 | 0 | 0 | 108.4 | A2 A6 | A2-M4 PolarHBondContact O-N 3.39Å; M4-A6 PolarHBondContact O-N 3.48Å | ||
| 5 | I | 55 | Low | 60.3 | Low | 118 Ų | 118 | 148.7 Ų | 148.7 | 61% | 0.605 | 73% | 0.732 | S | S | * | * | trans | -83.6 | 103 | 173.2 | -59.3 | 175 | 0 | 0 | 0 | 107.2 | R3 Y7 | R3-I5 PolarHBondContact O-N 2.87Å; I5-Y7 HydrophobicContact CB-CD2 4.46Å; I5-Y7 HydrophobicContact CB-CE2 4.12Å; I5-Y7 HydrophobicContact CG2-CD2 3.94Å; I5-Y7 HydrophobicContact CG2-CE2 3.71Å; I5-Y7 WeakPolarHBondContact O-CD2 3.49Å; I5-Y7 PolarHBondContact O-N 3.07Å; I5-Y7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | A | 52.7 | Low | 61.4 | Low | 84 Ų | 84 | 142.9 Ų | 142.9 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | trans | -72.6 | 98 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | M4 R8 | M4-A6 PolarHBondContact O-N 3.48Å; A6-R8 VanDerWaalsContact C-N 3.29Å; A6-R8 PolarHBondContact O-N 3.02Å | ||
| 7 | Y | 54.5 | Low | 62.5 | Low | 195 Ų | 195 | 139.8 Ų | 139.8 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | -67.2 | 90.9 | 168.7 | -74.7 | -93.3 | 0 | 0 | 0 | 108.3 | I5 T9 | I5-Y7 HydrophobicContact CB-CD2 4.46Å; I5-Y7 HydrophobicContact CB-CE2 4.12Å; I5-Y7 HydrophobicContact CG2-CD2 3.94Å; I5-Y7 HydrophobicContact CG2-CE2 3.71Å; I5-Y7 WeakPolarHBondContact O-CD2 3.49Å; I5-Y7 PolarHBondContact O-N 3.07Å; I5-Y7 VanDerWaalsContact O-N 3.07Å; Y7-T9 VanDerWaalsContact C-N 3.32Å; Y7-T9 PolarHBondContact O-N 3.34Å | ||
| 8 | R | 56.3 | Low | 63.4 | Low | 238 Ų | 238 | 138.1 Ų | 138.1 | 90% | 0.898 | 69% | 0.693 | S | S | * | * | trans | -63.3 | 101.9 | 164.5 | -79.3 | -167.6 | 178.8 | -148.4 | 1.1 | 106.7 | A6 P10 | A6-R8 VanDerWaalsContact C-N 3.29Å; A6-R8 PolarHBondContact O-N 3.02Å; R8-P10 WeakPolarHBondContact O-CD 3.45Å | ||
| 9 | T | 62.7 | Low | 64.5 | Low | 67 Ų | 67 | 135.8 Ų | 135.8 | 41% | 0.411 | 68% | 0.68 | S | S | . | * | trans | -56.4 | 123.6 | 169.4 | -12.7 | 0 | 0 | 0 | 0 | 107 | Y7 I11 L13 | Y7-T9 VanDerWaalsContact C-N 3.32Å; Y7-T9 PolarHBondContact O-N 3.34Å; T9-I11 PolarHBondContact O-N 3.22Å; T9-L13 HydrophobicContact CG2-CB 4.46Å; T9-L13 HydrophobicContact CG2-CD2 3.63Å | ||
| 10 | P | 66.7 | Low | 65.3 | Low | 86 Ų | 86 | 133.8 Ų | 133.8 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | trans | -57.6 | 134.7 | -179 | 19.7 | -29.4 | 0 | 0 | 0 | 108.8 | R8 K12 L13 | R8-P10 WeakPolarHBondContact O-CD 3.45Å; P10-K12 PolarHBondContact O-N 2.9Å; P10-L13 HydrophobicContact CG-CB 4.25Å; P10-L13 WeakPolarHBondContact O-CB 3.48Å; P10-L13 PolarHBondContact O-N 2.96Å | ||
| 11 | I | 73.6 | Confident | 65.9 | Low | 139 Ų | 139 | 128.9 Ų | 128.9 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -48.8 | -37.5 | -176.8 | -68.6 | 167.4 | 0 | 0 | 0 | 111.3 | T9 L13 K14 Q15 | T9-I11 PolarHBondContact O-N 3.22Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.33Å; I11-K14 PolarHBondContact O-N 3.31Å; I11-Q15 PolarHBondContact O-N 2.83Å |
| 12 | K | 70.5 | Confident | 67.7 | Low | 177 Ų | 177 | 121.1 Ų | 121.1 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.3 | -38 | 176.4 | -65 | -170.9 | 178.6 | -175 | 0 | 113.6 | P10 S16 | P10-K12 PolarHBondContact O-N 2.9Å; K12-S16 WeakPolarHBondContact O-CB 3.38Å; K12-S16 PolarHBondContact O-N 2.96Å |
| 13 | L | 74.7 | Confident | 69.3 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.3 | -45.5 | 178.2 | -170.1 | 70.3 | 0 | 0 | 0 | 110.7 | T9 P10 I11 Q15 S16 T17 | T9-L13 HydrophobicContact CG2-CB 4.46Å; T9-L13 HydrophobicContact CG2-CD2 3.63Å; P10-L13 HydrophobicContact CG-CB 4.25Å; P10-L13 WeakPolarHBondContact O-CB 3.48Å; P10-L13 PolarHBondContact O-N 2.96Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.33Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 2.96Å; L13-S16 PolarHBondContact O-N 2.92Å; L13-T17 PolarHBondContact O-N 2.91Å; L13-T17 PolarHBondContact O-OG1 3.21Å; L13-T17 VanDerWaalsContact O-OG1 3.06Å |
| 14 | K | 74.1 | Confident | 70.7 | Confident | 124 Ų | 124 | 112.7 Ų | 112.7 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.8 | -43.5 | 176.4 | -68.7 | -172 | 174.1 | -170.4 | 0 | 111.5 | I11 T17 I18 | I11-K14 PolarHBondContact O-N 3.31Å; K14-T17 PolarHBondContact O-N 3.38Å; K14-I18 VanDerWaalsContact O-CG1 3.26Å; K14-I18 WeakPolarHBondContact O-CG1 3.45Å; K14-I18 PolarHBondContact O-N 3.41Å |
| 15 | Q | 76.2 | Confident | 71.8 | Confident | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 178.1 | -167.2 | 167.3 | 5.7 | 0 | 0 | 112.1 | I11 L13 I18 Q19 | I11-Q15 PolarHBondContact O-N 2.83Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 2.96Å; Q15-I18 PolarHBondContact O-N 3.34Å; Q15-Q19 WeakPolarHBondContact O-CB 3.26Å; Q15-Q19 PolarHBondContact O-N 3.23Å |
| 16 | S | 79 | Confident | 72.7 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | K12 L13 I18 Q19 N20 | K12-S16 WeakPolarHBondContact O-CB 3.38Å; K12-S16 PolarHBondContact O-N 2.96Å; L13-S16 PolarHBondContact O-N 2.92Å; S16-I18 VanDerWaalsContact C-N 3.34Å; S16-I18 PolarHBondContact O-N 3.46Å; S16-Q19 PolarHBondContact O-N 3.46Å; S16-N20 WeakPolarHBondContact O-CB 3.49Å; S16-N20 PolarHBondContact O-N 2.88Å |
| 17 | T | 79 | Confident | 73.1 | Confident | 90 Ų | 90 | 108.1 Ų | 108.1 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L13 K14 N20 G21 | L13-T17 PolarHBondContact O-N 2.91Å; L13-T17 PolarHBondContact O-OG1 3.21Å; L13-T17 VanDerWaalsContact O-OG1 3.06Å; K14-T17 PolarHBondContact O-N 3.38Å; T17-N20 PolarHBondContact O-N 3.26Å; T17-G21 PolarHBondContact O-N 2.9Å |
| 18 | I | 79.4 | Confident | 73.3 | Confident | 108 Ų | 108 | 100.4 Ų | 100.4 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 176 | -68.9 | 164.5 | 0 | 0 | 0 | 110.3 | K14 Q15 S16 N20 G21 I22 | K14-I18 VanDerWaalsContact O-CG1 3.26Å; K14-I18 WeakPolarHBondContact O-CG1 3.45Å; K14-I18 PolarHBondContact O-N 3.41Å; Q15-I18 PolarHBondContact O-N 3.34Å; S16-I18 VanDerWaalsContact C-N 3.34Å; S16-I18 PolarHBondContact O-N 3.46Å; I18-N20 PolarHBondContact O-N 3.44Å; I18-G21 PolarHBondContact O-N 3.06Å; I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 4.45Å; I18-I22 WeakPolarHBondContact O-CG1 3.3Å; I18-I22 PolarHBondContact O-N 2.95Å |
| 19 | Q | 83.7 | Confident | 73.3 | Confident | 96 Ų | 96 | 94.8 Ų | 94.8 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 179.2 | -171.6 | 62.3 | 54.2 | 0 | 0 | 112.1 | Q15 S16 G21 I22 N23 | Q15-Q19 WeakPolarHBondContact O-CB 3.26Å; Q15-Q19 PolarHBondContact O-N 3.23Å; S16-Q19 PolarHBondContact O-N 3.46Å; Q19-G21 VanDerWaalsContact C-N 3.34Å; Q19-G21 PolarHBondContact O-N 2.97Å; Q19-I22 PolarHBondContact O-N 3.5Å; Q19-N23 PolarHBondContact NE2-OD1 3.03Å; Q19-N23 WeakPolarHBondContact O-CB 3.37Å; Q19-N23 PolarHBondContact O-N 3.35Å; Q19-N23 PolarHBondContact O-OD1 2.87Å |
| 20 | N | 80.3 | Confident | 72.9 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.8 | -75.6 | -11.1 | 0 | 0 | 0 | 111.1 | S16 T17 I18 I22 N23 T24 | S16-N20 WeakPolarHBondContact O-CB 3.49Å; S16-N20 PolarHBondContact O-N 2.88Å; T17-N20 PolarHBondContact O-N 3.26Å; I18-N20 PolarHBondContact O-N 3.44Å; N20-I22 PolarHBondContact O-N 3.35Å; N20-N23 PolarHBondContact O-N 3.06Å; N20-T24 PolarHBondContact O-N 3.32Å; N20-T24 PolarHBondContact O-OG1 3.19Å |
| 21 | G | 78.5 | Confident | 72.6 | Confident | 31 Ų | 31 | 100.2 Ų | 100.2 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T17 I18 Q19 T24 I25 | T17-G21 PolarHBondContact O-N 2.9Å; I18-G21 PolarHBondContact O-N 3.06Å; Q19-G21 VanDerWaalsContact C-N 3.34Å; Q19-G21 PolarHBondContact O-N 2.97Å; G21-T24 PolarHBondContact O-N 3.5Å; G21-I25 VanDerWaalsContact O-CG1 3.3Å; G21-I25 WeakPolarHBondContact O-CG1 3.47Å; G21-I25 PolarHBondContact O-N 2.93Å |
| 22 | I | 81.4 | Confident | 72 | Confident | 83 Ų | 83 | 98 Ų | 98 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.6 | -69.2 | 168.7 | 0 | 0 | 0 | 110.3 | I18 Q19 N20 T24 I25 T26 | I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 4.45Å; I18-I22 WeakPolarHBondContact O-CG1 3.3Å; I18-I22 PolarHBondContact O-N 2.95Å; Q19-I22 PolarHBondContact O-N 3.5Å; N20-I22 PolarHBondContact O-N 3.35Å; I22-T24 VanDerWaalsContact C-N 3.32Å; I22-T24 PolarHBondContact O-N 3.34Å; I22-I25 PolarHBondContact O-N 2.97Å; I22-T26 WeakPolarHBondContact O-CB 3.38Å; I22-T26 PolarHBondContact O-N 3.36Å; I22-T26 PolarHBondContact O-OG1 3.34Å; I22-T26 VanDerWaalsContact O-OG1 3.06Å |
| 23 | N | 79.6 | Confident | 71.6 | Confident | 68 Ų | 68 | 92.5 Ų | 92.5 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 179.6 | -68.4 | -5.2 | 0 | 0 | 0 | 111.3 | Q19 N20 T26 H27 | Q19-N23 PolarHBondContact NE2-OD1 3.03Å; Q19-N23 WeakPolarHBondContact O-CB 3.37Å; Q19-N23 PolarHBondContact O-N 3.35Å; Q19-N23 PolarHBondContact O-OD1 2.87Å; N20-N23 PolarHBondContact O-N 3.06Å; N23-T26 PolarHBondContact O-N 3.03Å; N23-H27 WeakPolarHBondContact O-CB 3.45Å; N23-H27 PolarHBondContact O-CD2 2.85Å; N23-H27 PolarHBondContact O-N 3.42Å |
| 24 | T | 75.6 | Confident | 71.1 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | N20 G21 I22 G28 | N20-T24 PolarHBondContact O-N 3.32Å; N20-T24 PolarHBondContact O-OG1 3.19Å; G21-T24 PolarHBondContact O-N 3.5Å; I22-T24 VanDerWaalsContact C-N 3.32Å; I22-T24 PolarHBondContact O-N 3.34Å; T24-G28 PolarHBondContact O-N 2.9Å |
| 25 | I | 74.3 | Confident | 70.5 | Confident | 107 Ų | 107 | 89 Ų | 89 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 177.6 | -68.4 | 165.8 | 0 | 0 | 0 | 110.2 | G21 I22 H27 G28 Q29 | G21-I25 VanDerWaalsContact O-CG1 3.3Å; G21-I25 WeakPolarHBondContact O-CG1 3.47Å; G21-I25 PolarHBondContact O-N 2.93Å; I22-I25 PolarHBondContact O-N 2.97Å; I25-H27 PolarHBondContact O-N 3.07Å; I25-G28 PolarHBondContact O-N 3.23Å; I25-Q29 HydrophobicContact CG2-CG 4.48Å; I25-Q29 WeakPolarHBondContact O-CG 3.48Å; I25-Q29 PolarHBondContact O-N 2.93Å |
| 26 | T | 73.3 | Confident | 69.8 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.1 | -52.3 | 178.9 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | I22 N23 G28 Q29 W30 | I22-T26 WeakPolarHBondContact O-CB 3.38Å; I22-T26 PolarHBondContact O-N 3.36Å; I22-T26 PolarHBondContact O-OG1 3.34Å; I22-T26 VanDerWaalsContact O-OG1 3.06Å; N23-T26 PolarHBondContact O-N 3.03Å; T26-G28 VanDerWaalsContact C-N 3.32Å; T26-G28 PolarHBondContact O-N 2.92Å; T26-Q29 WeakPolarHBondContact O-CB 3.47Å; T26-Q29 PolarHBondContact O-N 3.08Å; T26-Q29 VanDerWaalsContact O-N 3.07Å; T26-W30 VanDerWaalsContact CG2-NE1 3.27Å; T26-W30 PolarHBondContact O-N 3.15Å; T26-W30 VanDerWaalsContact O-N 3.08Å |
| 27 | H | 62.5 | Low | 69.2 | Low | 131 Ų | 131 | 90.7 Ų | 90.7 | 61% | 0.606 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 177.3 | -76.9 | -63 | 0 | 0 | 0 | 112.8 | N23 I25 Q29 W30 T31 | N23-H27 WeakPolarHBondContact O-CB 3.45Å; N23-H27 PolarHBondContact O-CD2 2.85Å; N23-H27 PolarHBondContact O-N 3.42Å; I25-H27 PolarHBondContact O-N 3.07Å; H27-Q29 VanDerWaalsContact C-N 3.33Å; H27-Q29 PolarHBondContact O-N 3.32Å; H27-W30 PolarHBondContact O-N 3.5Å; H27-T31 WeakPolarHBondContact O-CG2 3.41Å; H27-T31 PolarHBondContact O-N 3.33Å; H27-T31 VanDerWaalsContact O-N 3.15Å; H27-T31 PolarHBondContact O-OG1 3.46Å |
| 28 | G | 58.6 | Low | 68.6 | Low | 32 Ų | 32 | 88.7 Ų | 88.7 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T24 I25 T26 T31 T32 | T24-G28 PolarHBondContact O-N 2.9Å; I25-G28 PolarHBondContact O-N 3.23Å; T26-G28 VanDerWaalsContact C-N 3.32Å; T26-G28 PolarHBondContact O-N 2.92Å; G28-T31 WeakPolarHBondContact CA-OG1 3.45Å; G28-T31 PolarHBondContact O-OG1 2.79Å; G28-T32 WeakPolarHBondContact O-CB 3.47Å; G28-T32 WeakPolarHBondContact O-CG2 3.43Å; G28-T32 PolarHBondContact O-N 3.46Å; G28-T32 PolarHBondContact O-OG1 3.16Å |
| 29 | Q | 55.4 | Low | 67.9 | Low | 120 Ų | 120 | 89 Ų | 89 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.5 | -41.4 | 174.7 | -75.3 | 176.6 | -19.1 | 0 | 0 | 112 | I25 T26 H27 T31 T32 S33 | I25-Q29 HydrophobicContact CG2-CG 4.48Å; I25-Q29 WeakPolarHBondContact O-CG 3.48Å; I25-Q29 PolarHBondContact O-N 2.93Å; T26-Q29 WeakPolarHBondContact O-CB 3.47Å; T26-Q29 PolarHBondContact O-N 3.08Å; T26-Q29 VanDerWaalsContact O-N 3.07Å; H27-Q29 VanDerWaalsContact C-N 3.33Å; H27-Q29 PolarHBondContact O-N 3.32Å; Q29-T31 PolarHBondContact O-N 3.5Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.35Å; Q29-T32 PolarHBondContact O-N 3.03Å; Q29-T32 PolarHBondContact O-OG1 2.76Å; Q29-S33 WeakPolarHBondContact O-CB 3.36Å; Q29-S33 PolarHBondContact O-N 2.97Å |
| 30 | W | 55.6 | Low | 67.2 | Low | 185 Ų | 185 | 88.9 Ų | 88.9 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 176.8 | -68 | 103 | 0 | 0 | 0 | 112.1 | T26 H27 S34 | T26-W30 VanDerWaalsContact CG2-NE1 3.27Å; T26-W30 PolarHBondContact O-N 3.15Å; T26-W30 VanDerWaalsContact O-N 3.08Å; H27-W30 PolarHBondContact O-N 3.5Å; W30-S34 PolarHBondContact O-N 3.47Å; W30-S34 VanDerWaalsContact O-N 3.12Å; W30-S34 PolarHBondContact O-OG 3.4Å |
| 31 | T | 59.6 | Low | 66.8 | Low | 83 Ų | 83 | 87.7 Ų | 87.7 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.1 | -34.5 | 178.6 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | H27 G28 Q29 S34 S35 | H27-T31 WeakPolarHBondContact O-CG2 3.41Å; H27-T31 PolarHBondContact O-N 3.33Å; H27-T31 VanDerWaalsContact O-N 3.15Å; H27-T31 PolarHBondContact O-OG1 3.46Å; G28-T31 WeakPolarHBondContact CA-OG1 3.45Å; G28-T31 PolarHBondContact O-OG1 2.79Å; Q29-T31 PolarHBondContact O-N 3.5Å; T31-S34 PolarHBondContact O-OG 3.12Å; T31-S35 WeakPolarHBondContact O-CB 3.42Å; T31-S35 PolarHBondContact O-N 2.97Å; T31-S35 VanDerWaalsContact O-N 3.16Å; T31-S35 PolarHBondContact O-OG 3Å |
| 32 | T | 60.2 | Low | 66.5 | Low | 91 Ų | 91 | 91.5 Ų | 91.5 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70 | -40.4 | 173.8 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | G28 Q29 S34 S35 F36 | G28-T32 WeakPolarHBondContact O-CB 3.47Å; G28-T32 WeakPolarHBondContact O-CG2 3.43Å; G28-T32 PolarHBondContact O-N 3.46Å; G28-T32 PolarHBondContact O-OG1 3.16Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.35Å; Q29-T32 PolarHBondContact O-N 3.03Å; Q29-T32 PolarHBondContact O-OG1 2.76Å; T32-S34 PolarHBondContact O-N 3.29Å; T32-S35 PolarHBondContact O-N 3Å; T32-F36 WeakPolarHBondContact O-CB 3.49Å; T32-F36 PolarHBondContact O-N 3.43Å |
| 33 | S | 62.6 | Low | 65.9 | Low | 63 Ų | 63 | 91 Ų | 91 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 176.8 | -173 | 0 | 0 | 0 | 0 | 112.6 | Q29 N37 | Q29-S33 WeakPolarHBondContact O-CB 3.36Å; Q29-S33 PolarHBondContact O-N 2.97Å; S33-N37 WeakPolarHBondContact O-CB 3.36Å; S33-N37 VanDerWaalsContact O-CG 3.29Å; S33-N37 PolarHBondContact O-N 3.33Å; S33-N37 PolarHBondContact O-ND2 3.45Å |
| 34 | S | 64.4 | Low | 65.5 | Low | 69 Ų | 69 | 95.1 Ų | 95.1 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 176.8 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | W30 T31 T32 N37 A38 | W30-S34 PolarHBondContact O-N 3.47Å; W30-S34 VanDerWaalsContact O-N 3.12Å; W30-S34 PolarHBondContact O-OG 3.4Å; T31-S34 PolarHBondContact O-OG 3.12Å; T32-S34 PolarHBondContact O-N 3.29Å; S34-N37 PolarHBondContact O-N 2.91Å; S34-A38 WeakPolarHBondContact O-CB 3.43Å; S34-A38 PolarHBondContact O-N 2.93Å |
| 35 | S | 62.3 | Low | 65.4 | Low | 75 Ų | 75 | 93 Ų | 93 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.2 | -57 | 0 | 0 | 0 | 0 | 112.1 | T31 T32 A38 M39 | T31-S35 WeakPolarHBondContact O-CB 3.42Å; T31-S35 PolarHBondContact O-N 2.97Å; T31-S35 VanDerWaalsContact O-N 3.16Å; T31-S35 PolarHBondContact O-OG 3Å; T32-S35 PolarHBondContact O-N 3Å; S35-A38 PolarHBondContact O-N 3.05Å; S35-M39 WeakPolarHBondContact O-CB 3.42Å; S35-M39 PolarHBondContact O-N 3.39Å |
| 36 | F | 59.6 | Low | 65.3 | Low | 134 Ų | 134 | 92.9 Ų | 92.9 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 175.7 | -174.2 | -96 | 0 | 0 | 0 | 111.6 | T32 A38 M39 N40 | T32-F36 WeakPolarHBondContact O-CB 3.49Å; T32-F36 PolarHBondContact O-N 3.43Å; F36-A38 PolarHBondContact O-N 2.94Å; F36-M39 PolarHBondContact O-N 2.9Å; F36-N40 WeakPolarHBondContact O-CB 3.37Å; F36-N40 PolarHBondContact O-N 3.33Å |
| 37 | N | 68.1 | Low | 64.8 | Low | 89 Ų | 89 | 92.6 Ų | 92.6 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.2 | -74.4 | -16.9 | 0 | 0 | 0 | 112.3 | S33 S34 T41 | S33-N37 WeakPolarHBondContact O-CB 3.36Å; S33-N37 VanDerWaalsContact O-CG 3.29Å; S33-N37 PolarHBondContact O-N 3.33Å; S33-N37 PolarHBondContact O-ND2 3.45Å; S34-N37 PolarHBondContact O-N 2.91Å; N37-T41 WeakPolarHBondContact O-CB 3.46Å; N37-T41 PolarHBondContact O-N 3.4Å; N37-T41 PolarHBondContact O-OG1 3.37Å |
| 38 | A | 66.5 | Low | 65 | Low | 48 Ų | 48 | 91 Ų | 91 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S34 S35 F36 T41 N42 | S34-A38 WeakPolarHBondContact O-CB 3.43Å; S34-A38 PolarHBondContact O-N 2.93Å; S35-A38 PolarHBondContact O-N 3.05Å; F36-A38 PolarHBondContact O-N 2.94Å; A38-T41 PolarHBondContact O-N 3.43Å; A38-N42 WeakPolarHBondContact O-CB 3.39Å; A38-N42 VanDerWaalsContact O-CG 3.25Å; A38-N42 PolarHBondContact O-N 2.95Å; A38-N42 PolarHBondContact O-ND2 3.48Å |
| 39 | M | 63.4 | Low | 65.4 | Low | 116 Ų | 116 | 94.3 Ų | 94.3 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -46.6 | 176.5 | -168 | 178 | 84.3 | 0 | 0 | 111.4 | S35 F36 T41 N42 C43 | S35-M39 WeakPolarHBondContact O-CB 3.42Å; S35-M39 PolarHBondContact O-N 3.39Å; F36-M39 PolarHBondContact O-N 2.9Å; M39-T41 VanDerWaalsContact C-N 3.34Å; M39-T41 PolarHBondContact O-N 2.91Å; M39-N42 PolarHBondContact O-N 3.34Å; M39-C43 PolarHBondContact O-N 2.92Å; M39-C43 PolarHBondContact O-SG 3.24Å; M39-C43 VanDerWaalsContact O-SG 3.34Å |
| 40 | N | 68.5 | Low | 65.7 | Low | 93 Ų | 93 | 91.3 Ų | 91.3 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 178.1 | -166.6 | 11.3 | 0 | 0 | 0 | 111.7 | F36 N42 C43 R44 | F36-N40 WeakPolarHBondContact O-CB 3.37Å; F36-N40 PolarHBondContact O-N 3.33Å; N40-N42 PolarHBondContact O-N 2.92Å; N40-C43 PolarHBondContact O-N 2.76Å; N40-R44 WeakPolarHBondContact O-CB 3.45Å; N40-R44 PolarHBondContact O-N 3.5Å |
| 41 | T | 73 | Confident | 66.1 | Low | 68 Ų | 68 | 86.8 Ų | 86.8 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | N37 A38 M39 R44 T45 | N37-T41 WeakPolarHBondContact O-CB 3.46Å; N37-T41 PolarHBondContact O-N 3.4Å; N37-T41 PolarHBondContact O-OG1 3.37Å; A38-T41 PolarHBondContact O-N 3.43Å; M39-T41 VanDerWaalsContact C-N 3.34Å; M39-T41 PolarHBondContact O-N 2.91Å; T41-R44 PolarHBondContact O-N 3.5Å; T41-T45 PolarHBondContact O-N 3.44Å; T41-T45 PolarHBondContact O-OG1 3.47Å |
| 42 | N | 72.6 | Confident | 66.3 | Low | 111 Ų | 111 | 87.3 Ų | 87.3 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 178.4 | -72.5 | -17.8 | 0 | 0 | 0 | 112.3 | A38 M39 N40 R44 T45 L46 | A38-N42 WeakPolarHBondContact O-CB 3.39Å; A38-N42 VanDerWaalsContact O-CG 3.25Å; A38-N42 PolarHBondContact O-N 2.95Å; A38-N42 PolarHBondContact O-ND2 3.48Å; M39-N42 PolarHBondContact O-N 3.34Å; N40-N42 PolarHBondContact O-N 2.92Å; N42-R44 VanDerWaalsContact C-N 3.34Å; N42-R44 PolarHBondContact O-N 3.32Å; N42-T45 PolarHBondContact O-N 2.92Å; N42-L46 VanDerWaalsContact O-CB 3.32Å; N42-L46 WeakPolarHBondContact O-CB 3.48Å; N42-L46 PolarHBondContact O-N 2.86Å |
| 43 | C | 68.9 | Low | 66.4 | Low | 73 Ų | 73 | 86.7 Ų | 86.7 | 49% | 0.493 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.6 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | M39 N40 L46 A47 | M39-C43 PolarHBondContact O-N 2.92Å; M39-C43 PolarHBondContact O-SG 3.24Å; M39-C43 VanDerWaalsContact O-SG 3.34Å; N40-C43 PolarHBondContact O-N 2.76Å; C43-L46 PolarHBondContact O-N 3.19Å; C43-A47 WeakPolarHBondContact O-CB 3.38Å; C43-A47 PolarHBondContact O-N 3.38Å |
| 44 | R | 69.6 | Low | 66.3 | Low | 154 Ų | 154 | 87 Ų | 87 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -49.1 | 176.7 | -170.5 | 178.2 | 69 | 168 | 2 | 111.5 | N40 T41 N42 L46 A47 E48 | N40-R44 WeakPolarHBondContact O-CB 3.45Å; N40-R44 PolarHBondContact O-N 3.5Å; T41-R44 PolarHBondContact O-N 3.5Å; N42-R44 VanDerWaalsContact C-N 3.34Å; N42-R44 PolarHBondContact O-N 3.32Å; R44-L46 VanDerWaalsContact C-N 3.31Å; R44-L46 PolarHBondContact O-N 2.94Å; R44-A47 PolarHBondContact O-N 3.42Å; R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 WeakPolarHBondContact CG-OE1 3.36Å; R44-E48 IonicContact NE-OE1 3.84Å; R44-E48 WeakPolarHBondContact O-CB 3.48Å; R44-E48 WeakPolarHBondContact O-CG 3.17Å; R44-E48 PolarHBondContact O-N 3.01Å |
| 45 | T | 73.8 | Confident | 66.3 | Low | 59 Ų | 59 | 92.6 Ų | 92.6 | 36% | 0.362 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | T41 N42 E48 N49 | T41-T45 PolarHBondContact O-N 3.44Å; T41-T45 PolarHBondContact O-OG1 3.47Å; N42-T45 PolarHBondContact O-N 2.92Å; T45-E48 PolarHBondContact O-N 3.34Å; T45-N49 WeakPolarHBondContact O-CB 3.17Å; T45-N49 VanDerWaalsContact O-CG 3.29Å; T45-N49 PolarHBondContact O-N 2.84Å; T45-N49 PolarHBondContact O-ND2 2.89Å |
| 46 | L | 73.2 | Confident | 66.2 | Low | 104 Ų | 104 | 92.1 Ų | 92.1 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.5 | -179.6 | 62 | 0 | 0 | 0 | 111.3 | N42 C43 R44 N49 I50 | N42-L46 VanDerWaalsContact O-CB 3.32Å; N42-L46 WeakPolarHBondContact O-CB 3.48Å; N42-L46 PolarHBondContact O-N 2.86Å; C43-L46 PolarHBondContact O-N 3.19Å; R44-L46 VanDerWaalsContact C-N 3.31Å; R44-L46 PolarHBondContact O-N 2.94Å; L46-N49 PolarHBondContact O-N 2.93Å; L46-I50 HydrophobicContact CD1-CD1 3.96Å; L46-I50 HydrophobicContact CD1-CG1 4.3Å; L46-I50 HydrophobicContact CG-CD1 3.87Å; L46-I50 VanDerWaalsContact O-CG1 3.26Å; L46-I50 WeakPolarHBondContact O-CG1 3.33Å; L46-I50 PolarHBondContact O-N 2.87Å |
| 47 | A | 63.5 | Low | 66.3 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C43 R44 N49 I50 I51 | C43-A47 WeakPolarHBondContact O-CB 3.38Å; C43-A47 PolarHBondContact O-N 3.38Å; R44-A47 PolarHBondContact O-N 3.42Å; A47-N49 VanDerWaalsContact C-N 3.34Å; A47-N49 PolarHBondContact O-N 3.28Å; A47-I50 PolarHBondContact O-N 3.45Å; A47-I51 WeakPolarHBondContact O-CB 3.43Å; A47-I51 WeakPolarHBondContact O-CD1 3.26Å; A47-I51 WeakPolarHBondContact O-CG1 3.32Å; A47-I51 PolarHBondContact O-N 2.73Å |
| 48 | E | 66.4 | Low | 66.1 | Low | 99 Ų | 99 | 92.3 Ų | 92.3 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 176.1 | -74.6 | 172.2 | -176.8 | 0 | 0 | 111.8 | R44 T45 I51 S52 | R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 WeakPolarHBondContact CG-OE1 3.36Å; R44-E48 IonicContact NE-OE1 3.84Å; R44-E48 WeakPolarHBondContact O-CB 3.48Å; R44-E48 WeakPolarHBondContact O-CG 3.17Å; R44-E48 PolarHBondContact O-N 3.01Å; T45-E48 PolarHBondContact O-N 3.34Å; E48-I51 PolarHBondContact O-N 3.36Å; E48-S52 WeakPolarHBondContact O-CB 3.41Å; E48-S52 PolarHBondContact O-N 2.9Å; E48-S52 PolarHBondContact O-OG 2.84Å |
| 49 | N | 67.2 | Low | 66.3 | Low | 101 Ų | 101 | 94.7 Ų | 94.7 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.8 | -80.3 | -31 | 0 | 0 | 0 | 112.1 | T45 L46 A47 S52 N53 | T45-N49 WeakPolarHBondContact O-CB 3.17Å; T45-N49 VanDerWaalsContact O-CG 3.29Å; T45-N49 PolarHBondContact O-N 2.84Å; T45-N49 PolarHBondContact O-ND2 2.89Å; L46-N49 PolarHBondContact O-N 2.93Å; A47-N49 VanDerWaalsContact C-N 3.34Å; A47-N49 PolarHBondContact O-N 3.28Å; N49-S52 PolarHBondContact O-N 2.76Å; N49-N53 VanDerWaalsContact O-CB 3.26Å; N49-N53 WeakPolarHBondContact O-CB 3.26Å; N49-N53 PolarHBondContact O-N 3.45Å |
| 50 | I | 61.1 | Low | 66.4 | Low | 56 Ų | 56 | 92.7 Ų | 92.7 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 178 | -69.2 | 167.5 | 0 | 0 | 0 | 110.7 | L46 A47 N53 L56 L60 | L46-I50 HydrophobicContact CD1-CD1 3.96Å; L46-I50 HydrophobicContact CD1-CG1 4.3Å; L46-I50 HydrophobicContact CG-CD1 3.87Å; L46-I50 VanDerWaalsContact O-CG1 3.26Å; L46-I50 WeakPolarHBondContact O-CG1 3.33Å; L46-I50 PolarHBondContact O-N 2.87Å; A47-I50 PolarHBondContact O-N 3.45Å; I50-N53 PolarHBondContact O-N 3.24Å; I50-L56 HydrophobicContact CB-CD1 4.46Å; I50-L56 HydrophobicContact CG1-CD1 4.3Å; I50-L56 HydrophobicContact CG2-CB 4.35Å; I50-L56 HydrophobicContact CG2-CD1 4.16Å; I50-L60 HydrophobicContact CG2-CD1 3.45Å; I50-L60 VanDerWaalsContact CG2-CD1 3.45Å |
| 51 | I | 62.9 | Low | 66.5 | Low | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 179.5 | -68.6 | 164.8 | 0 | 0 | 0 | 111.5 | A47 E48 N53 R57 | A47-I51 WeakPolarHBondContact O-CB 3.43Å; A47-I51 WeakPolarHBondContact O-CD1 3.26Å; A47-I51 WeakPolarHBondContact O-CG1 3.32Å; A47-I51 PolarHBondContact O-N 2.73Å; E48-I51 PolarHBondContact O-N 3.36Å; I51-N53 VanDerWaalsContact C-N 3.3Å; I51-R57 PolarHBondContact O-NE 2.83Å; I51-R57 PolarHBondContact O-NH2 2.85Å |
| 52 | S | 64.6 | Low | 66.6 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.9 | -26.2 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | E48 N49 A54 | E48-S52 WeakPolarHBondContact O-CB 3.41Å; E48-S52 PolarHBondContact O-N 2.9Å; E48-S52 PolarHBondContact O-OG 2.84Å; N49-S52 PolarHBondContact O-N 2.76Å; S52-A54 PolarHBondContact O-N 3.5Å |
| 53 | N | 62.9 | Low | 66.7 | Low | 78 Ų | 78 | 95.9 Ų | 95.9 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | trans | -76.3 | 91.5 | 175.3 | -153.5 | -24.3 | 0 | 0 | 0 | 109.7 | N49 I50 I51 K55 L56 | N49-N53 VanDerWaalsContact O-CB 3.26Å; N49-N53 WeakPolarHBondContact O-CB 3.26Å; N49-N53 PolarHBondContact O-N 3.45Å; I50-N53 PolarHBondContact O-N 3.24Å; I51-N53 VanDerWaalsContact C-N 3.3Å; N53-K55 PolarHBondContact O-N 3.43Å; N53-L56 HydrophobicContact CB-CD1 4.19Å; N53-L56 HydrophobicContact CB-CG 4.48Å; N53-L56 PolarHBondContact O-N 2.96Å | ||
| 54 | A | 59.7 | Low | 67 | Low | 71 Ų | 71 | 95.7 Ų | 95.7 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -24.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S52 P58 | S52-A54 PolarHBondContact O-N 3.5Å; A54-P58 VanDerWaalsContact O-CD 3.26Å; A54-P58 WeakPolarHBondContact O-CD 3.35Å |
| 55 | K | 63.6 | Low | 67.4 | Low | 186 Ų | 186 | 94.3 Ų | 94.3 | 81% | 0.809 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.1 | 175.8 | -65.6 | -178 | 178.7 | -179.4 | 0 | 113.7 | N53 | N53-K55 PolarHBondContact O-N 3.43Š|
| 56 | L | 60.8 | Low | 67.6 | Low | 64 Ų | 64 | 96.4 Ų | 96.4 | 34% | 0.335 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.5 | -179.4 | -70.2 | 172.7 | 0 | 0 | 0 | 112.7 | I50 N53 L59 L60 | I50-L56 HydrophobicContact CB-CD1 4.46Å; I50-L56 HydrophobicContact CG1-CD1 4.3Å; I50-L56 HydrophobicContact CG2-CB 4.35Å; I50-L56 HydrophobicContact CG2-CD1 4.16Å; N53-L56 HydrophobicContact CB-CD1 4.19Å; N53-L56 HydrophobicContact CB-CG 4.48Å; N53-L56 PolarHBondContact O-N 2.96Å; L56-L59 WeakPolarHBondContact O-CB 3.28Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-L59 VanDerWaalsContact O-N 3.14Å; L56-L60 PolarHBondContact O-N 2.91Å |
| 57 | R | 61.8 | Low | 67.7 | Low | 141 Ų | 141 | 94 Ų | 94 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.3 | -47.5 | 179.3 | -74.4 | -177.2 | 171 | -158.1 | -5.7 | 113.6 | I51 L59 L60 M61 | I51-R57 PolarHBondContact O-NE 2.83Å; I51-R57 PolarHBondContact O-NH2 2.85Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.47Å; R57-L60 PolarHBondContact O-N 2.95Å; R57-M61 WeakPolarHBondContact O-CB 3.41Å; R57-M61 VanDerWaalsContact O-CG 3.25Å; R57-M61 WeakPolarHBondContact O-CG 3.48Å; R57-M61 PolarHBondContact O-N 3.25Å |
| 58 | P | 64.9 | Low | 68.3 | Low | 86 Ų | 86 | 96 Ų | 96 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 177.6 | -22.5 | 33.4 | 0 | 0 | 0 | 112.4 | A54 M61 H62 | A54-P58 VanDerWaalsContact O-CD 3.26Å; A54-P58 WeakPolarHBondContact O-CD 3.35Å; P58-M61 PolarHBondContact O-N 3.1Å; P58-H62 WeakPolarHBondContact O-CB 3.38Å; P58-H62 PolarHBondContact O-N 3.37Å |
| 59 | L | 70.1 | Confident | 68.8 | Low | 99 Ų | 99 | 94.1 Ų | 94.1 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 179.5 | -164.3 | 114.8 | 0 | 0 | 0 | 111.3 | L56 R57 H62 Q63 | L56-L59 WeakPolarHBondContact O-CB 3.28Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-L59 VanDerWaalsContact O-N 3.14Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.47Å; L59-H62 PolarHBondContact O-N 3.43Å; L59-Q63 WeakPolarHBondContact O-CG 3.29Å; L59-Q63 PolarHBondContact O-N 3.18Å |
| 60 | L | 65.4 | Low | 69.1 | Low | 73 Ų | 73 | 96.1 Ų | 96.1 | 38% | 0.382 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.7 | -125.4 | 109.3 | 0 | 0 | 0 | 111.8 | I50 L56 R57 H62 Q63 T64 | I50-L60 HydrophobicContact CG2-CD1 3.45Å; I50-L60 VanDerWaalsContact CG2-CD1 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å; R57-L60 PolarHBondContact O-N 2.95Å; L60-H62 VanDerWaalsContact C-N 3.34Å; L60-Q63 PolarHBondContact O-N 3.48Å; L60-T64 WeakPolarHBondContact O-CB 3.43Å; L60-T64 PolarHBondContact O-N 3.33Å; L60-T64 PolarHBondContact O-OG1 3.33Å |
| 61 | M | 70.4 | Confident | 69.5 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 176.1 | -74.1 | -69.1 | 157.2 | 0 | 0 | 111 | R57 P58 T64 Q65 | R57-M61 WeakPolarHBondContact O-CB 3.41Å; R57-M61 VanDerWaalsContact O-CG 3.25Å; R57-M61 WeakPolarHBondContact O-CG 3.48Å; R57-M61 PolarHBondContact O-N 3.25Å; P58-M61 PolarHBondContact O-N 3.1Å; M61-T64 PolarHBondContact O-N 2.83Å; M61-Q65 WeakPolarHBondContact O-CB 3.28Å; M61-Q65 VanDerWaalsContact O-CG 3.29Å; M61-Q65 WeakPolarHBondContact O-CG 3.49Å; M61-Q65 PolarHBondContact O-N 2.91Å |
| 62 | H | 75.3 | Confident | 69.8 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 177.5 | -172.2 | 62.1 | 0 | 0 | 0 | 112.3 | P58 L59 L60 T64 Q65 M66 | P58-H62 WeakPolarHBondContact O-CB 3.38Å; P58-H62 PolarHBondContact O-N 3.37Å; L59-H62 PolarHBondContact O-N 3.43Å; L60-H62 VanDerWaalsContact C-N 3.34Å; H62-T64 VanDerWaalsContact C-N 3.33Å; H62-T64 PolarHBondContact O-N 3.43Å; H62-Q65 PolarHBondContact O-N 3.31Å; H62-M66 WeakPolarHBondContact O-CG 3.42Å; H62-M66 PolarHBondContact O-N 3.28Å |
| 63 | Q | 75.2 | Confident | 69.8 | Low | 107 Ų | 107 | 99.9 Ų | 99.9 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 174.7 | -77.3 | 180 | -18.1 | 0 | 0 | 112.1 | L59 L60 M66 A67 | L59-Q63 WeakPolarHBondContact O-CG 3.29Å; L59-Q63 PolarHBondContact O-N 3.18Å; L60-Q63 PolarHBondContact O-N 3.48Å; Q63-M66 PolarHBondContact O-N 2.9Å; Q63-A67 WeakPolarHBondContact O-CB 3.49Å; Q63-A67 PolarHBondContact O-N 2.75Å |
| 64 | T | 75 | Confident | 69.6 | Low | 68 Ų | 68 | 101.4 Ų | 101.4 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.6 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | L60 M61 H62 M66 A67 I68 | L60-T64 WeakPolarHBondContact O-CB 3.43Å; L60-T64 PolarHBondContact O-N 3.33Å; L60-T64 PolarHBondContact O-OG1 3.33Å; M61-T64 PolarHBondContact O-N 2.83Å; H62-T64 VanDerWaalsContact C-N 3.33Å; H62-T64 PolarHBondContact O-N 3.43Å; T64-M66 PolarHBondContact O-N 2.92Å; T64-A67 PolarHBondContact O-N 3.48Å; T64-I68 HydrophobicContact CG2-CD1 3.94Å; T64-I68 WeakPolarHBondContact O-CB 3.24Å; T64-I68 VanDerWaalsContact O-CG1 3.28Å; T64-I68 WeakPolarHBondContact O-CG1 3.35Å; T64-I68 PolarHBondContact O-N 3.44Å |
| 65 | Q | 77.3 | Confident | 69.3 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 174.4 | -76.4 | 174.7 | -22.6 | 0 | 0 | 112 | M61 H62 I68 A69 | M61-Q65 WeakPolarHBondContact O-CB 3.28Å; M61-Q65 VanDerWaalsContact O-CG 3.29Å; M61-Q65 WeakPolarHBondContact O-CG 3.49Å; M61-Q65 PolarHBondContact O-N 2.91Å; H62-Q65 PolarHBondContact O-N 3.31Å; Q65-I68 PolarHBondContact O-N 2.92Å; Q65-A69 VanDerWaalsContact O-CB 3.25Å; Q65-A69 WeakPolarHBondContact O-CB 3.25Å; Q65-A69 PolarHBondContact O-N 2.87Å |
| 66 | M | 77.9 | Confident | 68.8 | Low | 104 Ų | 104 | 101.6 Ų | 101.6 | 51% | 0.512 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.1 | -72.6 | -158.4 | -63.5 | 0 | 0 | 112.3 | H62 Q63 T64 A69 K70 | H62-M66 WeakPolarHBondContact O-CG 3.42Å; H62-M66 PolarHBondContact O-N 3.28Å; Q63-M66 PolarHBondContact O-N 2.9Å; T64-M66 PolarHBondContact O-N 2.92Å; M66-A69 PolarHBondContact O-N 2.93Å; M66-K70 WeakPolarHBondContact O-CB 3.4Å; M66-K70 PolarHBondContact O-N 3.43Å |
| 67 | A | 76.6 | Confident | 68.1 | Low | 54 Ų | 54 | 101.3 Ų | 101.3 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q63 T64 K70 M71 | Q63-A67 WeakPolarHBondContact O-CB 3.49Å; Q63-A67 PolarHBondContact O-N 2.75Å; T64-A67 PolarHBondContact O-N 3.48Å; A67-K70 PolarHBondContact O-N 3.34Å; A67-M71 WeakPolarHBondContact O-CG 3.42Å; A67-M71 PolarHBondContact O-N 3.44Å |
| 68 | I | 75.7 | Confident | 67.3 | Low | 88 Ų | 88 | 99.3 Ų | 99.3 | 45% | 0.451 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 174.4 | -68.5 | 167.4 | 0 | 0 | 0 | 110.4 | T64 Q65 K70 M71 L72 | T64-I68 HydrophobicContact CG2-CD1 3.94Å; T64-I68 WeakPolarHBondContact O-CB 3.24Å; T64-I68 VanDerWaalsContact O-CG1 3.28Å; T64-I68 WeakPolarHBondContact O-CG1 3.35Å; T64-I68 PolarHBondContact O-N 3.44Å; Q65-I68 PolarHBondContact O-N 2.92Å; I68-K70 VanDerWaalsContact C-N 3.26Å; I68-K70 PolarHBondContact O-N 3.31Å; I68-M71 PolarHBondContact O-N 3.37Å; I68-L72 HydrophobicContact CG2-CD1 3.7Å; I68-L72 HydrophobicContact CG2-CG 4.16Å; I68-L72 WeakPolarHBondContact O-CB 3.25Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.33Å; I68-L72 PolarHBondContact O-N 2.92Å |
| 69 | A | 76 | Confident | 66.2 | Low | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.9 | -40.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q65 M66 L72 S73 | Q65-A69 VanDerWaalsContact O-CB 3.25Å; Q65-A69 WeakPolarHBondContact O-CB 3.25Å; Q65-A69 PolarHBondContact O-N 2.87Å; M66-A69 PolarHBondContact O-N 2.93Å; A69-L72 PolarHBondContact O-N 3.42Å; A69-S73 VanDerWaalsContact O-CB 3.24Å; A69-S73 WeakPolarHBondContact O-CB 3.26Å; A69-S73 PolarHBondContact O-N 2.86Å |
| 70 | K | 73.9 | Confident | 64.9 | Low | 143 Ų | 143 | 103.2 Ų | 103.2 | 62% | 0.622 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -46.6 | 174.8 | -168.8 | 175.4 | -178.3 | -179.3 | 0 | 111.9 | M66 A67 I68 L72 S73 D74 | M66-K70 WeakPolarHBondContact O-CB 3.4Å; M66-K70 PolarHBondContact O-N 3.43Å; A67-K70 PolarHBondContact O-N 3.34Å; I68-K70 VanDerWaalsContact C-N 3.26Å; I68-K70 PolarHBondContact O-N 3.31Å; K70-L72 VanDerWaalsContact C-N 3.29Å; K70-L72 PolarHBondContact O-N 3.14Å; K70-S73 CarbonylContact O-C 3.59Å; K70-S73 PolarHBondContact O-N 2.93Å; K70-D74 PolarHBondContact O-N 3.24Å |
| 71 | M | 70.6 | Confident | 64 | Low | 135 Ų | 135 | 106.2 Ų | 106.2 | 67% | 0.665 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.1 | -37.6 | 175.9 | -72.5 | 179.6 | 68.9 | 0 | 0 | 112.6 | A67 I68 K75 | A67-M71 WeakPolarHBondContact O-CG 3.42Å; A67-M71 PolarHBondContact O-N 3.44Å; I68-M71 PolarHBondContact O-N 3.37Å; M71-K75 PolarHBondContact O-N 3.39Å; M71-K75 VanDerWaalsContact O-N 3.1Å |
| 72 | L | 69 | Low | 62.7 | Low | 112 Ų | 112 | 103.7 Ų | 103.7 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.9 | -35.9 | 176.3 | -69.3 | 175.1 | 0 | 0 | 0 | 111.7 | I68 A69 K70 K75 S76 | I68-L72 HydrophobicContact CG2-CD1 3.7Å; I68-L72 HydrophobicContact CG2-CG 4.16Å; I68-L72 WeakPolarHBondContact O-CB 3.25Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.33Å; I68-L72 PolarHBondContact O-N 2.92Å; A69-L72 PolarHBondContact O-N 3.42Å; K70-L72 VanDerWaalsContact C-N 3.29Å; K70-L72 PolarHBondContact O-N 3.14Å; L72-K75 CarbonylContact O-C 3.54Å; L72-K75 PolarHBondContact O-N 2.87Å; L72-S76 PolarHBondContact O-N 2.92Å |
| 73 | S | 64.1 | Low | 60.9 | Low | 73 Ų | 73 | 107.8 Ų | 107.8 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.5 | -35.4 | 173.7 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | A69 K70 K75 S76 | A69-S73 VanDerWaalsContact O-CB 3.24Å; A69-S73 WeakPolarHBondContact O-CB 3.26Å; A69-S73 PolarHBondContact O-N 2.86Å; K70-S73 CarbonylContact O-C 3.59Å; K70-S73 PolarHBondContact O-N 2.93Å; S73-K75 PolarHBondContact O-N 3.33Å; S73-S76 PolarHBondContact O-N 2.79Å; S73-S76 PolarHBondContact O-OG 3.19Å |
| 74 | D | 57.8 | Low | 59.4 | Low | 110 Ų | 110 | 110.5 Ų | 110.5 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.8 | -32 | 172.7 | -72.1 | -16.8 | 0 | 0 | 0 | 110 | K70 G77 | K70-D74 PolarHBondContact O-N 3.24Å; D74-G77 PolarHBondContact O-N 2.81Å |
| 75 | K | 53.4 | Low | 57.5 | Low | 165 Ų | 165 | 113 Ų | 113 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.8 | -22.1 | 173.3 | -79.5 | -163.8 | 175.1 | -169.8 | 0 | 115 | M71 L72 S73 G77 | M71-K75 PolarHBondContact O-N 3.39Å; M71-K75 VanDerWaalsContact O-N 3.1Å; L72-K75 CarbonylContact O-C 3.54Å; L72-K75 PolarHBondContact O-N 2.87Å; S73-K75 PolarHBondContact O-N 3.33Å; K75-G77 PolarHBondContact O-N 2.82Å |
| 76 | S | 52.8 | Low | 55.6 | Low | 96 Ų | 96 | 114.6 Ų | 114.6 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -9.9 | 171.6 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | L72 S73 | L72-S76 PolarHBondContact O-N 2.92Å; S73-S76 PolarHBondContact O-N 2.79Å; S73-S76 PolarHBondContact O-OG 3.19Å |
| 77 | G | 47.5 | Very low | 54.5 | Low | 57 Ų | 57 | 115.1 Ų | 115.1 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -15.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | D74 K75 | D74-G77 PolarHBondContact O-N 2.81Å; K75-G77 PolarHBondContact O-N 2.82Å |
| 78 | T | 43.9 | Very low | 53.3 | Low | 99 Ų | 99 | 118.3 Ų | 118.3 | 61% | 0.607 | 71% | 0.707 | S | S | * | * | trans | -154.4 | 75.1 | -180 | -2.5 | 0 | 0 | 0 | 0 | 112.1 | V80 | T78-V80 HydrophobicContact CG2-CB 4.34Å; T78-V80 HydrophobicContact CG2-CG1 4.11Å; T78-V80 HydrophobicContact CG2-CG2 3.67Å; T78-V80 PolarHBondContact O-N 2.86Å | ||
| 79 | N | 42.8 | Very low | 52.1 | Low | 151 Ų | 151 | 120 Ų | 120 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | trans | -68.3 | 68 | 140.6 | -102.5 | -5.7 | 0 | 0 | 0 | 107.2 | I81 | N79-I81 PolarHBondContact O-N 3.39Š| ||
| 80 | V | 43.5 | Very low | 50.6 | Low | 116 Ų | 116 | 123.6 Ų | 123.6 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | trans | -71.2 | 88.1 | 149.5 | -96.5 | 0 | 0 | 0 | 0 | 103.9 | T78 A82 | T78-V80 HydrophobicContact CG2-CB 4.34Å; T78-V80 HydrophobicContact CG2-CG1 4.11Å; T78-V80 HydrophobicContact CG2-CG2 3.67Å; T78-V80 PolarHBondContact O-N 2.86Å; V80-A82 PolarHBondContact O-N 2.88Å | ||
| 81 | I | 45.2 | Very low | 49.2 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | trans | -44.9 | 102.9 | 150.7 | -49.5 | 167.8 | 0 | 0 | 0 | 102.7 | N79 Q83 | N79-I81 PolarHBondContact O-N 3.39Å; I81-Q83 PolarHBondContact O-N 2.89Å | ||
| 82 | A | 44.1 | Very low | 47.8 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | trans | -55.6 | 104.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 103.3 | V80 E84 | V80-A82 PolarHBondContact O-N 2.88Å; A82-E84 HydrophobicContact CB-CG 4.26Å; A82-E84 PolarHBondContact O-N 3.36Å | ||
| 83 | Q | 37.3 | Very low | 46.3 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -64.8 | 86.3 | 162.9 | -89.1 | -176.3 | -28 | 0 | 0 | 104.6 | I81 S85 | I81-Q83 PolarHBondContact O-N 2.89Å; Q83-S85 PolarHBondContact O-N 2.92Å | ||
| 84 | E | 42.5 | Very low | 44.9 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -68.2 | 116.3 | 163.1 | -66.2 | -164.6 | 159.1 | 0 | 0 | 106.6 | A82 | A82-E84 HydrophobicContact CB-CG 4.26Å; A82-E84 PolarHBondContact O-N 3.36Å | ||
| 85 | S | 35.5 | Very low | 43.8 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 68.6 | 106.9 | 136.9 | -46.4 | 0 | 0 | 0 | 0 | 118 | Q83 | Q83-S85 PolarHBondContact O-N 2.92Š| ||
| 86 | G | 37.3 | Very low | 42.9 | Very low | 157 Ų | 157 | 124 Ų | 124 | 100% | 1.619 | 80% | 0.802 | S | S | * | * | trans | -169.8 | 0 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 86 of 86 residues in 99.4 ms
(Link to these results)