| 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 | 60.4 | Low | 73.4 | Confident | 162 Ų | 162 | 117 Ų | 117 | 80% | 0.798 | 58% | 0.575 | S | S | * | * | 0 | -44.3 | 0 | -141.6 | 179.8 | -118.7 | 0 | 0 | 110 | D3 R4 Y5 | M1-D3 PolarHBondContact O-N 3.43Å; M1-R4 PolarHBondContact O-N 3.26Å; M1-Y5 HydrophobicContact CG-CE2 4.18Å; M1-Y5 VanDerWaalsContact O-CD2 3.27Å; M1-Y5 WeakPolarHBondContact O-CD2 3.43Å | |||
| 2 | T | 69.3 | Low | 74.5 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53 | -41.2 | 173.6 | -39.6 | 0 | 0 | 0 | 0 | 114.6 | R4 Y5 N6 | T2-R4 VanDerWaalsContact C-N 3.32Å; T2-R4 PolarHBondContact O-N 3.48Å; T2-Y5 PolarHBondContact O-N 2.98Å; T2-N6 PolarHBondContact O-N 3.2Å; T2-N6 VanDerWaalsContact O-N 3.07Å |
| 3 | D | 67.1 | Low | 75.7 | Confident | 120 Ų | 120 | 117.8 Ų | 117.8 | 64% | 0.642 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -33.9 | -178.8 | -55 | -54.5 | 0 | 0 | 0 | 113.3 | M1 N6 I7 | M1-D3 PolarHBondContact O-N 3.43Å; D3-N6 PolarHBondContact O-N 3.29Å; D3-I7 WeakPolarHBondContact O-CD1 3.32Å; D3-I7 VanDerWaalsContact O-CG1 3.28Å; D3-I7 WeakPolarHBondContact O-CG1 3.36Å; D3-I7 PolarHBondContact O-N 2.76Å |
| 4 | R | 63.1 | Low | 76.8 | Confident | 172 Ų | 172 | 115.2 Ų | 115.2 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.2 | -40.9 | 176.4 | -77 | -164.8 | -80.5 | 162 | -5.6 | 111.8 | M1 T2 N6 I7 H8 | M1-R4 PolarHBondContact O-N 3.26Å; T2-R4 VanDerWaalsContact C-N 3.32Å; T2-R4 PolarHBondContact O-N 3.48Å; R4-N6 VanDerWaalsContact C-N 3.3Å; R4-N6 PolarHBondContact O-N 3.37Å; R4-I7 PolarHBondContact O-N 3.19Å; R4-H8 PolarHBondContact O-CD2 3.17Å; R4-H8 PolarHBondContact O-N 2.92Å; R4-H8 VanDerWaalsContact O-N 3.12Å |
| 5 | Y | 67.8 | Low | 77.8 | Confident | 167 Ų | 167 | 111.6 Ų | 111.6 | 66% | 0.655 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.6 | -35.6 | 174.9 | -71.6 | -71.7 | 0 | 0 | 0 | 112.3 | M1 T2 H8 S9 | M1-Y5 HydrophobicContact CG-CE2 4.18Å; M1-Y5 VanDerWaalsContact O-CD2 3.27Å; M1-Y5 WeakPolarHBondContact O-CD2 3.43Å; T2-Y5 PolarHBondContact O-N 2.98Å; Y5-H8 PolarHBondContact O-N 3.3Å; Y5-S9 PolarHBondContact O-N 2.65Å; Y5-S9 VanDerWaalsContact O-N 3.14Å |
| 6 | N | 76.5 | Confident | 78.5 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 46% | 0.46 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 175 | -165.4 | -11.5 | 0 | 0 | 0 | 111.7 | T2 D3 R4 S9 Q10 | T2-N6 PolarHBondContact O-N 3.2Å; T2-N6 VanDerWaalsContact O-N 3.07Å; D3-N6 PolarHBondContact O-N 3.29Å; R4-N6 VanDerWaalsContact C-N 3.3Å; R4-N6 PolarHBondContact O-N 3.37Å; N6-S9 PolarHBondContact O-N 3.02Å; N6-Q10 WeakPolarHBondContact O-CG 3.44Å; N6-Q10 PolarHBondContact O-N 3.48Å; N6-Q10 PolarHBondContact OD1-NE2 3.38Å |
| 7 | I | 73.9 | Confident | 79.5 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -43.8 | 176.4 | -68.1 | 163 | 0 | 0 | 0 | 111.6 | D3 R4 Q10 L11 | D3-I7 WeakPolarHBondContact O-CD1 3.32Å; D3-I7 VanDerWaalsContact O-CG1 3.28Å; D3-I7 WeakPolarHBondContact O-CG1 3.36Å; D3-I7 PolarHBondContact O-N 2.76Å; R4-I7 PolarHBondContact O-N 3.19Å; I7-Q10 PolarHBondContact O-N 3.4Å; I7-L11 PolarHBondContact O-N 2.92Å |
| 8 | H | 76.6 | Confident | 80.4 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 53% | 0.532 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 177.7 | -72.9 | -65.5 | 0 | 0 | 0 | 112 | R4 Y5 Q10 L11 E12 | R4-H8 PolarHBondContact O-CD2 3.17Å; R4-H8 PolarHBondContact O-N 2.92Å; R4-H8 VanDerWaalsContact O-N 3.12Å; Y5-H8 PolarHBondContact O-N 3.3Å; H8-Q10 VanDerWaalsContact C-N 3.33Å; H8-Q10 PolarHBondContact O-N 2.93Å; H8-L11 PolarHBondContact O-N 3.39Å; H8-E12 WeakPolarHBondContact O-CG 3.44Å; H8-E12 PolarHBondContact O-N 3.3Å |
| 9 | S | 81.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 114.5 Ų | 114.5 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -38.2 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | Y5 N6 H13 | Y5-S9 PolarHBondContact O-N 2.65Å; Y5-S9 VanDerWaalsContact O-N 3.14Å; N6-S9 PolarHBondContact O-N 3.02Å; S9-H13 WeakPolarHBondContact O-CB 3.36Å; S9-H13 PolarHBondContact O-N 3.09Å |
| 10 | Q | 84.5 | Confident | 81.8 | Confident | 110 Ų | 110 | 110.1 Ų | 110.1 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 175.7 | -73.2 | 176.4 | 48.3 | 0 | 0 | 112.4 | N6 I7 H8 H13 L14 | N6-Q10 WeakPolarHBondContact O-CG 3.44Å; N6-Q10 PolarHBondContact O-N 3.48Å; N6-Q10 PolarHBondContact OD1-NE2 3.38Å; I7-Q10 PolarHBondContact O-N 3.4Å; H8-Q10 VanDerWaalsContact C-N 3.33Å; H8-Q10 PolarHBondContact O-N 2.93Å; Q10-H13 WeakPolarHBondContact O-CB 3.1Å; Q10-H13 PolarHBondContact O-N 3.28Å; Q10-L14 WeakPolarHBondContact O-CG 2.93Å; Q10-L14 PolarHBondContact O-N 2.92Å |
| 11 | L | 86.1 | Confident | 82.5 | Confident | 65 Ų | 65 | 107.3 Ų | 107.3 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 178.7 | -171.2 | 133.3 | 0 | 0 | 0 | 111.5 | I7 H8 H13 L14 Q15 H23 | I7-L11 PolarHBondContact O-N 2.92Å; H8-L11 PolarHBondContact O-N 3.39Å; L11-H13 VanDerWaalsContact C-N 3.29Å; L11-H13 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.02Å; L11-Q15 HydrophobicContact CD2-CG 4.33Å; L11-Q15 WeakPolarHBondContact O-CG 3.47Å; L11-Q15 PolarHBondContact O-N 2.94Å; L11-H23 HydrophobicContact CD2-CB 4.3Å |
| 12 | E | 87.4 | Confident | 84 | Confident | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -40 | 172.6 | -72.6 | 175.4 | 178.5 | 0 | 0 | 111.7 | H8 L14 Q15 S16 | H8-E12 WeakPolarHBondContact O-CG 3.44Å; H8-E12 PolarHBondContact O-N 3.3Å; E12-L14 PolarHBondContact O-N 3.45Å; E12-Q15 PolarHBondContact O-N 3.09Å; E12-S16 PolarHBondContact O-N 3.05Å |
| 13 | H | 89.6 | Confident | 85 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 55% | 0.546 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.4 | -178.1 | 65.8 | 0 | 0 | 0 | 111.5 | S9 Q10 L11 S16 K17 | S9-H13 WeakPolarHBondContact O-CB 3.36Å; S9-H13 PolarHBondContact O-N 3.09Å; Q10-H13 WeakPolarHBondContact O-CB 3.1Å; Q10-H13 PolarHBondContact O-N 3.28Å; L11-H13 VanDerWaalsContact C-N 3.29Å; L11-H13 PolarHBondContact O-N 3.36Å; H13-S16 PolarHBondContact O-N 3.11Å; H13-S16 PolarHBondContact O-OG 3.38Å; H13-K17 PolarHBondContact O-N 2.91Å |
| 14 | L | 91.6 | Very high | 86.2 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 177 | -75 | 168 | 0 | 0 | 0 | 112.1 | Q10 L11 E12 S16 K17 Y18 T21 | Q10-L14 WeakPolarHBondContact O-CG 2.93Å; Q10-L14 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 3.02Å; E12-L14 PolarHBondContact O-N 3.45Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.24Å; L14-K17 PolarHBondContact O-N 3.15Å; L14-Y18 HydrophobicContact CD2-CD2 4.1Å; L14-Y18 HydrophobicContact CD2-CE2 4.19Å; L14-Y18 PolarHBondContact O-N 3.31Å; L14-T21 HydrophobicContact CB-CG2 4.36Å |
| 15 | Q | 90.9 | Very high | 87.5 | Confident | 61 Ų | 61 | 97 Ų | 97 | 29% | 0.285 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 177.8 | -72.2 | 176.2 | -31.3 | 0 | 0 | 112.6 | L11 E12 T21 H23 | L11-Q15 HydrophobicContact CD2-CG 4.33Å; L11-Q15 WeakPolarHBondContact O-CG 3.47Å; L11-Q15 PolarHBondContact O-N 2.94Å; E12-Q15 PolarHBondContact O-N 3.09Å; Q15-T21 HydrophobicContact CG-CG2 4.17Å; Q15-H23 PolarHBondContact NE2-CD2 3.31Å |
| 16 | S | 89.6 | Confident | 88.7 | Confident | 94 Ų | 94 | 90.7 Ų | 90.7 | 66% | 0.657 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.6 | -32.1 | 175.9 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | E12 H13 L14 | E12-S16 PolarHBondContact O-N 3.05Å; H13-S16 PolarHBondContact O-N 3.11Å; H13-S16 PolarHBondContact O-OG 3.38Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.24Å |
| 17 | K | 95.4 | Very high | 89.5 | Confident | 126 Ų | 126 | 89 Ų | 89 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -86.6 | -38 | -177.3 | -172.1 | 175.6 | 179.4 | -169.7 | 0 | 112.8 | H13 L14 | H13-K17 PolarHBondContact O-N 2.91Å; L14-K17 PolarHBondContact O-N 3.15Å |
| 18 | Y | 95.7 | Very high | 90.4 | Very high | 124 Ų | 124 | 92.2 Ų | 92.2 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -123 | 93.6 | -174.4 | -59.2 | -69.5 | 0 | 0 | 0 | 109.3 | L14 G20 T21 | L14-Y18 HydrophobicContact CD2-CD2 4.1Å; L14-Y18 HydrophobicContact CD2-CE2 4.19Å; L14-Y18 PolarHBondContact O-N 3.31Å; Y18-G20 PolarHBondContact O-N 2.74Å; Y18-T21 WeakPolarHBondContact CB-OG1 3.48Å; Y18-T21 WeakPolarHBondContact O-CB 3.13Å; Y18-T21 PolarHBondContact O-N 3.46Å; Y18-T21 VanDerWaalsContact O-N 3.14Å; Y18-T21 PolarHBondContact O-OG1 3.37Å |
| 19 | I | 95.6 | Very high | 91.3 | Very high | 157 Ų | 157 | 90.3 Ų | 90.3 | 81% | 0.805 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.3 | 175.4 | -57.5 | 172.9 | 0 | 0 | 0 | 108.5 | ||
| 20 | G | 93.8 | Very high | 91.8 | Very high | 26 Ų | 26 | 90.7 Ų | 90.7 | 27% | 0.268 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -4.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y18 G22 | Y18-G20 PolarHBondContact O-N 2.74Å; G20-G22 PolarHBondContact O-N 2.92Å; G20-G22 VanDerWaalsContact O-N 3.09Å |
| 21 | T | 95 | Very high | 92.3 | Very high | 52 Ų | 52 | 92 Ų | 92 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | trans | -62.5 | 111.3 | 172.1 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L14 Q15 Y18 | L14-T21 HydrophobicContact CB-CG2 4.36Å; Q15-T21 HydrophobicContact CG-CG2 4.17Å; Y18-T21 WeakPolarHBondContact CB-OG1 3.48Å; Y18-T21 WeakPolarHBondContact O-CB 3.13Å; Y18-T21 PolarHBondContact O-N 3.46Å; Y18-T21 VanDerWaalsContact O-N 3.14Å; Y18-T21 PolarHBondContact O-OG1 3.37Å | ||
| 22 | G | 92.1 | Very high | 92.9 | Very high | 31 Ų | 31 | 91.8 Ų | 91.8 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | trans | -76.4 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G20 | G20-G22 PolarHBondContact O-N 2.92Å; G20-G22 VanDerWaalsContact O-N 3.09Å | ||
| 23 | H | 91.8 | Very high | 93.3 | Very high | 79 Ų | 79 | 86.1 Ų | 86.1 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | trans | -139.9 | 175.3 | 172.1 | 58.1 | 97.5 | 0 | 0 | 0 | 109.7 | L11 Q15 D25 T26 | L11-H23 HydrophobicContact CD2-CB 4.3Å; Q15-H23 PolarHBondContact NE2-CD2 3.31Å; H23-D25 VanDerWaalsContact CE1-C 3.45Å; H23-D25 PolarHBondContact ND1-N 2.98Å; H23-D25 IonicContact ND1-OD2 3.82Å; H23-D25 PolarHBondContact O-N 2.87Å; H23-D25 VanDerWaalsContact O-N 3.16Å; H23-T26 PolarHBondContact CD2-OG1 3.19Å; H23-T26 PolarHBondContact CE1-N 2.97Å; H23-T26 PolarHBondContact N-OG1 2.89Å; H23-T26 PolarHBondContact NE2-OG1 3.45Å; H23-T26 WeakPolarHBondContact O-CB 3.45Å; H23-T26 PolarHBondContact O-N 3.27Å; H23-T26 VanDerWaalsContact O-N 3.08Å; H23-T26 PolarHBondContact O-OG1 3.36Å; H23-T26 VanDerWaalsContact O-OG1 3.1Å | ||
| 24 | A | 90.9 | Very high | 93.6 | Very high | 105 Ų | 105 | 82.1 Ų | 82.1 | 87% | 0.868 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 25 | D | 90.8 | Very high | 93.9 | Very high | 136 Ų | 136 | 82 Ų | 82 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 11.2 | -178.8 | -43.2 | -64.2 | 0 | 0 | 0 | 113.3 | H23 S27 | H23-D25 VanDerWaalsContact CE1-C 3.45Å; H23-D25 PolarHBondContact ND1-N 2.98Å; H23-D25 IonicContact ND1-OD2 3.82Å; H23-D25 PolarHBondContact O-N 2.87Å; H23-D25 VanDerWaalsContact O-N 3.16Å; D25-S27 PolarHBondContact O-N 3.47Å |
| 26 | T | 92.7 | Very high | 94.3 | Very high | 35 Ų | 35 | 82.4 Ų | 82.4 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | trans | -63 | 120.1 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 110 | H23 E30 W31 | H23-T26 PolarHBondContact CD2-OG1 3.19Å; H23-T26 PolarHBondContact CE1-N 2.97Å; H23-T26 PolarHBondContact N-OG1 2.89Å; H23-T26 PolarHBondContact NE2-OG1 3.45Å; H23-T26 WeakPolarHBondContact O-CB 3.45Å; H23-T26 PolarHBondContact O-N 3.27Å; H23-T26 VanDerWaalsContact O-N 3.08Å; H23-T26 PolarHBondContact O-OG1 3.36Å; H23-T26 VanDerWaalsContact O-OG1 3.1Å; T26-E30 HydrophobicContact CG2-CB 3.87Å; T26-W31 HydrophobicContact CG2-CB 4.24Å | ||
| 27 | S | 93.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | trans | -68.5 | 157.2 | 179.2 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | D25 W29 E30 W31 | D25-S27 PolarHBondContact O-N 3.47Å; S27-W29 PolarHBondContact O-N 3.43Å; S27-E30 WeakPolarHBondContact CB-OE2 3.48Å; S27-E30 PolarHBondContact N-OE2 3.19Å; S27-E30 PolarHBondContact O-N 3.47Å; S27-E30 VanDerWaalsContact OG-CD 3.26Å; S27-E30 VanDerWaalsContact OG-CG 3.25Å; S27-E30 WeakPolarHBondContact OG-CG 3.11Å; S27-E30 PolarHBondContact OG-N 3.02Å; S27-E30 PolarHBondContact OG-OE2 2.93Å; S27-W31 PolarHBondContact O-N 3.42Å | ||
| 28 | K | 92.8 | Very high | 94.8 | Very high | 172 Ų | 172 | 81 Ų | 81 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -53.9 | -37.7 | 172.8 | 178.6 | -178.8 | 173.8 | -175.3 | 0 | 111.9 | L32 | K28-L32 HydrophobicContact CD-CD1 4.49Å; K28-L32 HydrophobicContact CG-CD1 3.88Å; K28-L32 HydrophobicContact CG-CG 4.46Å; K28-L32 WeakPolarHBondContact O-CB 3.38Å; K28-L32 VanDerWaalsContact O-CG 3.31Å; K28-L32 WeakPolarHBondContact O-CG 3.49Å; K28-L32 PolarHBondContact O-N 3.29Å |
| 29 | W | 94.8 | Very high | 94.9 | Very high | 76 Ų | 76 | 77.1 Ų | 77.1 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.7 | -47.3 | -179.2 | -177.1 | 92.3 | 0 | 0 | 0 | 111.5 | S27 W31 L32 V33 G77 P78 P79 | S27-W29 PolarHBondContact O-N 3.43Å; W29-W31 VanDerWaalsContact C-N 3.32Å; W29-W31 PolarHBondContact O-N 3.11Å; W29-L32 PolarHBondContact O-N 3.36Å; W29-V33 HydrophobicContact CH2-CG2 4.4Å; W29-V33 HydrophobicContact CZ2-CG2 4.34Å; W29-V33 HydrophobicContact CZ3-CG1 4.43Å; W29-V33 PolarHBondContact O-N 2.81Å; W29-G77 WeakPolarHBondContact CZ2-O 3.35Å; W29-G77 PolarHBondContact NE1-O 3.04Å; W29-P78 PolarHBondContact NE1-O 3.25Å; W29-P79 HydrophobicContact CD2-CB 3.78Å; W29-P79 HydrophobicContact CE3-CB 3.98Å; W29-P79 HydrophobicContact CG-CB 4.24Å; W29-P79 HydrophobicContact CH2-CB 4.33Å; W29-P79 HydrophobicContact CH2-CG 4.4Å; W29-P79 HydrophobicContact CZ2-CB 4.13Å; W29-P79 HydrophobicContact CZ2-CG 4.31Å; W29-P79 HydrophobicContact CZ3-CB 4.25Å |
| 30 | E | 94.2 | Very high | 95 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176.8 | -70.1 | 161.1 | 141.5 | 0 | 0 | 111.7 | T26 S27 V33 N34 | T26-E30 HydrophobicContact CG2-CB 3.87Å; S27-E30 WeakPolarHBondContact CB-OE2 3.48Å; S27-E30 PolarHBondContact N-OE2 3.19Å; S27-E30 PolarHBondContact O-N 3.47Å; S27-E30 VanDerWaalsContact OG-CD 3.26Å; S27-E30 VanDerWaalsContact OG-CG 3.25Å; S27-E30 WeakPolarHBondContact OG-CG 3.11Å; S27-E30 PolarHBondContact OG-N 3.02Å; S27-E30 PolarHBondContact OG-OE2 2.93Å; E30-V33 WeakPolarHBondContact O-CG1 3.42Å; E30-V33 PolarHBondContact O-N 3.49Å; E30-N34 PolarHBondContact O-N 2.9Å; E30-N34 PolarHBondContact O-ND2 3.02Å; E30-N34 VanDerWaalsContact O-ND2 3.17Å |
| 31 | W | 94.9 | Very high | 95.2 | Very high | 139 Ų | 139 | 73.2 Ų | 73.2 | 53% | 0.527 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.8 | -174.5 | -113.2 | 0 | 0 | 0 | 112.5 | T26 S27 W29 Q35 | T26-W31 HydrophobicContact CG2-CB 4.24Å; S27-W31 PolarHBondContact O-N 3.42Å; W29-W31 VanDerWaalsContact C-N 3.32Å; W29-W31 PolarHBondContact O-N 3.11Å; W31-Q35 WeakPolarHBondContact O-CG 3.4Å; W31-Q35 PolarHBondContact O-N 2.91Å; W31-Q35 PolarHBondContact O-NE2 3Å |
| 32 | L | 97 | Very high | 95.3 | Very high | 59 Ų | 59 | 73 Ų | 73 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 178.4 | -75.7 | 170.8 | 0 | 0 | 0 | 112.3 | K28 W29 N34 Q35 H36 | K28-L32 HydrophobicContact CD-CD1 4.49Å; K28-L32 HydrophobicContact CG-CD1 3.88Å; K28-L32 HydrophobicContact CG-CG 4.46Å; K28-L32 WeakPolarHBondContact O-CB 3.38Å; K28-L32 VanDerWaalsContact O-CG 3.31Å; K28-L32 WeakPolarHBondContact O-CG 3.49Å; K28-L32 PolarHBondContact O-N 3.29Å; W29-L32 PolarHBondContact O-N 3.36Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 3.02Å; L32-Q35 PolarHBondContact O-N 3.24Å; L32-H36 PolarHBondContact O-N 3.49Å; L32-H36 PolarHBondContact O-ND1 3.33Å |
| 33 | V | 96.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | -179.9 | 94.3 | 0 | 0 | 0 | 0 | 110.9 | W29 E30 H36 R37 P75 | W29-V33 HydrophobicContact CH2-CG2 4.4Å; W29-V33 HydrophobicContact CZ2-CG2 4.34Å; W29-V33 HydrophobicContact CZ3-CG1 4.43Å; W29-V33 PolarHBondContact O-N 2.81Å; E30-V33 WeakPolarHBondContact O-CG1 3.42Å; E30-V33 PolarHBondContact O-N 3.49Å; V33-H36 PolarHBondContact O-N 3.33Å; V33-R37 WeakPolarHBondContact O-CG 3.34Å; V33-R37 PolarHBondContact O-N 3.49Å; V33-P75 HydrophobicContact CG2-CG 3.59Å |
| 34 | N | 96.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 176.6 | -72.5 | -32.9 | 0 | 0 | 0 | 111.2 | E30 L32 H36 R37 D38 | E30-N34 PolarHBondContact O-N 2.9Å; E30-N34 PolarHBondContact O-ND2 3.02Å; E30-N34 VanDerWaalsContact O-ND2 3.17Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 3.02Å; N34-H36 VanDerWaalsContact C-N 3.33Å; N34-H36 PolarHBondContact O-N 3.43Å; N34-R37 PolarHBondContact O-N 2.87Å; N34-D38 WeakPolarHBondContact O-CB 3.34Å; N34-D38 VanDerWaalsContact O-CG 3.3Å; N34-D38 PolarHBondContact O-N 3.18Å |
| 35 | Q | 97.6 | Very high | 96 | Very high | 79 Ų | 79 | 70.5 Ų | 70.5 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 176.9 | -75.3 | 170.6 | 87.9 | 0 | 0 | 113.4 | W31 L32 D38 S39 | W31-Q35 WeakPolarHBondContact O-CG 3.4Å; W31-Q35 PolarHBondContact O-N 2.91Å; W31-Q35 PolarHBondContact O-NE2 3Å; L32-Q35 PolarHBondContact O-N 3.24Å; Q35-D38 PolarHBondContact O-N 2.98Å; Q35-S39 WeakPolarHBondContact O-CB 3.15Å; Q35-S39 PolarHBondContact O-N 3.37Å; Q35-S39 PolarHBondContact O-OG 2.99Å |
| 36 | H | 97.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 69 Ų | 69 | 32% | 0.324 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 178.3 | -76.8 | 74.3 | 0 | 0 | 0 | 111.4 | L32 V33 N34 S39 Y40 P75 C76 | L32-H36 PolarHBondContact O-N 3.49Å; L32-H36 PolarHBondContact O-ND1 3.33Å; V33-H36 PolarHBondContact O-N 3.33Å; N34-H36 VanDerWaalsContact C-N 3.33Å; N34-H36 PolarHBondContact O-N 3.43Å; H36-S39 PolarHBondContact O-N 3.35Å; H36-Y40 WeakPolarHBondContact O-CD2 3.42Å; H36-Y40 VanDerWaalsContact O-CG 3.24Å; H36-Y40 PolarHBondContact O-N 3.21Å; H36-P75 HydrophobicContact CB-CB 3.66Å; H36-P75 HydrophobicContact CB-CG 3.76Å; H36-C76 PolarHBondContact ND1-SG 3.42Å |
| 37 | R | 97.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 72.8 Ų | 72.8 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176 | -73.9 | 175.3 | 175.4 | 172.6 | 2.4 | 111.6 | V33 N34 S39 Y40 C41 M72 L73 P75 | V33-R37 WeakPolarHBondContact O-CG 3.34Å; V33-R37 PolarHBondContact O-N 3.49Å; N34-R37 PolarHBondContact O-N 2.87Å; R37-S39 VanDerWaalsContact C-N 3.32Å; R37-S39 PolarHBondContact O-N 3.14Å; R37-Y40 PolarHBondContact O-N 2.98Å; R37-C41 PolarHBondContact O-N 3.33Å; R37-C41 PolarHBondContact O-SG 2.92Å; R37-C41 VanDerWaalsContact O-SG 3.33Å; R37-M72 HydrophobicContact CB-CE 4.27Å; R37-M72 HydrophobicContact CG-CE 4.41Å; R37-M72 PolarHBondContact NE-O 3.18Å; R37-M72 PolarHBondContact NH2-O 3.45Å; R37-L73 PolarHBondContact NH2-O 3.07Å; R37-P75 HydrophobicContact CG-CG 4.46Å |
| 38 | D | 97.9 | Very high | 96.7 | Very high | 103 Ų | 103 | 76.6 Ų | 76.6 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 176.3 | -70.2 | -11.4 | 0 | 0 | 0 | 111.6 | N34 Q35 C41 S42 | N34-D38 WeakPolarHBondContact O-CB 3.34Å; N34-D38 VanDerWaalsContact O-CG 3.3Å; N34-D38 PolarHBondContact O-N 3.18Å; Q35-D38 PolarHBondContact O-N 2.98Å; D38-C41 PolarHBondContact O-N 3.4Å; D38-S42 WeakPolarHBondContact O-CB 3.29Å; D38-S42 PolarHBondContact O-N 3.41Å |
| 39 | S | 97.9 | Very high | 97 | Very high | 44 Ų | 44 | 71.6 Ų | 71.6 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | Q35 H36 R37 C41 S42 Y43 | Q35-S39 WeakPolarHBondContact O-CB 3.15Å; Q35-S39 PolarHBondContact O-N 3.37Å; Q35-S39 PolarHBondContact O-OG 2.99Å; H36-S39 PolarHBondContact O-N 3.35Å; R37-S39 VanDerWaalsContact C-N 3.32Å; R37-S39 PolarHBondContact O-N 3.14Å; S39-C41 PolarHBondContact O-N 3.5Å; S39-S42 WeakPolarHBondContact O-CB 3.48Å; S39-S42 PolarHBondContact O-N 2.91Å; S39-Y43 WeakPolarHBondContact O-CD1 3.38Å; S39-Y43 WeakPolarHBondContact O-CD2 3.38Å; S39-Y43 PolarHBondContact O-N 3.42Å |
| 40 | Y | 97.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 68 Ų | 68 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.3 | -61.5 | -27.2 | 0 | 0 | 0 | 112.8 | H36 R37 S42 Y43 M44 L68 K71 M72 P75 | H36-Y40 WeakPolarHBondContact O-CD2 3.42Å; H36-Y40 VanDerWaalsContact O-CG 3.24Å; H36-Y40 PolarHBondContact O-N 3.21Å; R37-Y40 PolarHBondContact O-N 2.98Å; Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 3.02Å; Y40-Y43 AromaticContact CD1-CD2 3.98Å; Y40-Y43 HydrophobicContact CD1-CD2 3.98Å; Y40-Y43 HydrophobicContact CD1-CE2 4.11Å; Y40-Y43 PolarHBondContact O-N 3.17Å; Y40-M44 WeakPolarHBondContact O-CE 3.34Å; Y40-M44 WeakPolarHBondContact O-CG 3.41Å; Y40-M44 PolarHBondContact O-N 3.24Å; Y40-L68 HydrophobicContact CD1-CD2 3.73Å; Y40-L68 HydrophobicContact CE1-CD2 4.21Å; Y40-L68 HydrophobicContact CG-CD2 4.31Å; Y40-K71 HydrophobicContact CD2-CB 4.26Å; Y40-K71 HydrophobicContact CE2-CB 3.57Å; Y40-M72 HydrophobicContact CD2-CG 4.12Å; Y40-P75 HydrophobicContact CE2-CB 3.88Å |
| 41 | C | 97.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 43% | 0.432 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 173.1 | -74.1 | 0 | 0 | 0 | 0 | 111.5 | R37 D38 S39 M44 G45 M72 | R37-C41 PolarHBondContact O-N 3.33Å; R37-C41 PolarHBondContact O-SG 2.92Å; R37-C41 VanDerWaalsContact O-SG 3.33Å; D38-C41 PolarHBondContact O-N 3.4Å; S39-C41 PolarHBondContact O-N 3.5Å; C41-M44 PolarHBondContact O-N 3.25Å; C41-G45 PolarHBondContact O-N 3.32Å; C41-M72 VanDerWaalsContact SG-CE 3.53Å |
| 42 | S | 97.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | D38 S39 Y40 M44 G45 H46 | D38-S42 WeakPolarHBondContact O-CB 3.29Å; D38-S42 PolarHBondContact O-N 3.41Å; S39-S42 WeakPolarHBondContact O-CB 3.48Å; S39-S42 PolarHBondContact O-N 2.91Å; Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 3.02Å; S42-M44 VanDerWaalsContact C-N 3.29Å; S42-M44 PolarHBondContact O-N 3.01Å; S42-G45 PolarHBondContact O-N 3.49Å; S42-G45 VanDerWaalsContact O-N 3.15Å; S42-H46 PolarHBondContact O-CD2 3.1Å; S42-H46 PolarHBondContact O-N 3.45Å; S42-H46 PolarHBondContact OG-CD2 2.9Å; S42-H46 PolarHBondContact OG-NE2 3.26Å |
| 43 | Y | 97.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 178.7 | -57.2 | -18 | 0 | 0 | 0 | 112.7 | S39 Y40 L49 L50 F53 L68 | S39-Y43 WeakPolarHBondContact O-CD1 3.38Å; S39-Y43 WeakPolarHBondContact O-CD2 3.38Å; S39-Y43 PolarHBondContact O-N 3.42Å; Y40-Y43 AromaticContact CD1-CD2 3.98Å; Y40-Y43 HydrophobicContact CD1-CD2 3.98Å; Y40-Y43 HydrophobicContact CD1-CE2 4.11Å; Y40-Y43 PolarHBondContact O-N 3.17Å; Y43-L49 HydrophobicContact CD1-CD2 3.98Å; Y43-L49 HydrophobicContact CE1-CD2 4.24Å; Y43-L50 WeakPolarHBondContact O-CB 3.35Å; Y43-F53 AromaticContact CD1-CE2 3.63Å; Y43-F53 HydrophobicContact CD1-CE2 3.63Å; Y43-F53 HydrophobicContact CD1-CZ 4.06Å; Y43-F53 AromaticContact CD2-CE2 3.78Å; Y43-F53 HydrophobicContact CD2-CE2 3.78Å; Y43-F53 HydrophobicContact CD2-CZ 4.2Å; Y43-F53 HydrophobicContact CE1-CE2 4.16Å; Y43-F53 HydrophobicContact CE1-CZ 4.12Å; Y43-F53 HydrophobicContact CE2-CE2 4.31Å; Y43-F53 HydrophobicContact CE2-CZ 4.27Å; Y43-F53 HydrophobicContact CG-CD2 4.28Å; Y43-F53 AromaticContact CG-CE2 3.42Å; Y43-F53 HydrophobicContact CG-CE2 3.42Å; Y43-F53 VanDerWaalsContact CG-CE2 3.42Å; Y43-F53 HydrophobicContact CG-CZ 4.11Å; Y43-L68 HydrophobicContact CD2-CD2 4.31Å |
| 44 | M | 95.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 67 Ų | 67 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76.2 | -32.9 | 176.4 | -69 | -173.8 | -72.2 | 0 | 0 | 113.1 | Y40 C41 S42 L68 M69 M72 | Y40-M44 WeakPolarHBondContact O-CE 3.34Å; Y40-M44 WeakPolarHBondContact O-CG 3.41Å; Y40-M44 PolarHBondContact O-N 3.24Å; C41-M44 PolarHBondContact O-N 3.25Å; S42-M44 VanDerWaalsContact C-N 3.29Å; S42-M44 PolarHBondContact O-N 3.01Å; M44-L68 HydrophobicContact CG-CB 3.98Å; M44-L68 HydrophobicContact CG-CD1 3.66Å; M44-L68 HydrophobicContact CG-CG 4.49Å; M44-L68 HydrophobicContact SD-CB 3.89Å; M44-M69 HydrophobicContact CE-CG 4.49Å; M44-M69 HydrophobicContact CE-SD 3.68Å; M44-M69 HydrophobicContact SD-CG 3.79Å; M44-M69 HydrophobicContact SD-SD 3.64Å; M44-M69 VanDerWaalsContact SD-SD 3.64Å; M44-M72 HydrophobicContact CE-SD 3.85Å |
| 45 | G | 95.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 71 Ų | 71 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -79.3 | -34.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C41 S42 | C41-G45 PolarHBondContact O-N 3.32Å; S42-G45 PolarHBondContact O-N 3.49Å; S42-G45 VanDerWaalsContact O-N 3.15Å |
| 46 | H | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 70.8 Ų | 70.8 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | trans | -91.1 | 114.4 | 178.8 | -63.1 | -70.1 | 0 | 0 | 0 | 111.3 | S42 D48 L49 L50 | S42-H46 PolarHBondContact O-CD2 3.1Å; S42-H46 PolarHBondContact O-N 3.45Å; S42-H46 PolarHBondContact OG-CD2 2.9Å; S42-H46 PolarHBondContact OG-NE2 3.26Å; H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 PolarHBondContact O-N 3.15Å; H46-L49 HydrophobicContact CB-CB 4.09Å; H46-L49 HydrophobicContact CB-CD1 3.58Å; H46-L49 HydrophobicContact CB-CG 4.45Å; H46-L49 PolarHBondContact O-N 2.9Å; H46-L50 PolarHBondContact O-N 3.48Å | ||
| 47 | F | 96.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 72 Ų | 72 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | -175.1 | -166.3 | -100.6 | 0 | 0 | 0 | 113.2 | L50 N51 | F47-L50 PolarHBondContact O-N 3.42Å; F47-N51 WeakPolarHBondContact CD1-ND2 3.48Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.5Å; F47-N51 WeakPolarHBondContact O-CB 3.26Å; F47-N51 PolarHBondContact O-N 3.19Å; F47-N51 PolarHBondContact O-ND2 2.88Å; F47-N51 VanDerWaalsContact O-ND2 3.17Å; F47-N51 PolarHBondContact O-OD1 3.36Å |
| 48 | D | 97.9 | Very high | 97.5 | Very high | 130 Ų | 130 | 74.9 Ų | 74.9 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.1 | -38.7 | -179.1 | -62.1 | -35.3 | 0 | 0 | 0 | 112.5 | H46 N51 Y52 | H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 PolarHBondContact O-N 3.15Å; D48-N51 PolarHBondContact O-N 3.09Å; D48-Y52 WeakPolarHBondContact O-CB 3.39Å; D48-Y52 PolarHBondContact O-N 3.14Å |
| 49 | L | 97.8 | Very high | 97.5 | Very high | 66 Ų | 66 | 74.4 Ų | 74.4 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 173.3 | -87.1 | 131.3 | 0 | 0 | 0 | 111.1 | Y43 H46 N51 Y52 F53 | Y43-L49 HydrophobicContact CD1-CD2 3.98Å; Y43-L49 HydrophobicContact CE1-CD2 4.24Å; H46-L49 HydrophobicContact CB-CB 4.09Å; H46-L49 HydrophobicContact CB-CD1 3.58Å; H46-L49 HydrophobicContact CB-CG 4.45Å; H46-L49 PolarHBondContact O-N 2.9Å; L49-N51 VanDerWaalsContact C-N 3.28Å; L49-N51 PolarHBondContact O-N 3.18Å; L49-Y52 WeakPolarHBondContact O-CB 3.44Å; L49-Y52 PolarHBondContact O-N 3.36Å; L49-F53 HydrophobicContact CB-CE2 4.3Å; L49-F53 HydrophobicContact CD2-CE2 4.02Å; L49-F53 HydrophobicContact CD2-CZ 4.11Å; L49-F53 WeakPolarHBondContact O-CD2 3.42Å; L49-F53 PolarHBondContact O-N 3.17Å |
| 50 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.9 | -176.1 | 63.4 | 0 | 0 | 0 | 111.8 | Y43 H46 F47 F53 S54 K61 V64 R65 L68 | Y43-L50 WeakPolarHBondContact O-CB 3.35Å; H46-L50 PolarHBondContact O-N 3.48Å; F47-L50 PolarHBondContact O-N 3.42Å; L50-F53 PolarHBondContact O-N 3.41Å; L50-S54 WeakPolarHBondContact O-CB 3.39Å; L50-S54 PolarHBondContact O-N 3.18Å; L50-S54 PolarHBondContact O-OG 3.17Å; L50-K61 HydrophobicContact CD2-CB 4.35Å; L50-V64 HydrophobicContact CD1-CB 4.2Å; L50-V64 HydrophobicContact CD1-CG1 3.78Å; L50-R65 HydrophobicContact CD1-CG 4.01Å; L50-R65 HydrophobicContact CD2-CG 3.92Å; L50-L68 HydrophobicContact CD1-CD1 4.49Å |
| 51 | N | 97.7 | Very high | 97.5 | Very high | 35 Ų | 35 | 77.7 Ų | 77.7 | 19% | 0.187 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 175.8 | -67.7 | -21.1 | 0 | 0 | 0 | 110.8 | F47 D48 L49 F53 S54 V55 K61 | F47-N51 WeakPolarHBondContact CD1-ND2 3.48Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.5Å; F47-N51 WeakPolarHBondContact O-CB 3.26Å; F47-N51 PolarHBondContact O-N 3.19Å; F47-N51 PolarHBondContact O-ND2 2.88Å; F47-N51 VanDerWaalsContact O-ND2 3.17Å; F47-N51 PolarHBondContact O-OD1 3.36Å; D48-N51 PolarHBondContact O-N 3.09Å; L49-N51 VanDerWaalsContact C-N 3.28Å; L49-N51 PolarHBondContact O-N 3.18Å; N51-F53 VanDerWaalsContact C-N 3.34Å; N51-F53 PolarHBondContact O-N 2.84Å; N51-S54 WeakPolarHBondContact CA-OG 3.45Å; N51-S54 PolarHBondContact O-N 3.43Å; N51-S54 PolarHBondContact O-OG 2.72Å; N51-V55 WeakPolarHBondContact O-CG2 3.49Å; N51-V55 PolarHBondContact O-N 3.35Å; N51-K61 WeakPolarHBondContact OD1-CD 3.35Å; N51-K61 WeakPolarHBondContact OD1-CE 3.39Å; N51-K61 PolarHBondContact OD1-NZ 3.49Å |
| 52 | Y | 98.2 | Very high | 97.4 | Very high | 169 Ų | 169 | 78.1 Ų | 78.1 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55 | -49.1 | 178.6 | -177.7 | -94.5 | 0 | 0 | 0 | 111.6 | D48 L49 V55 A56 | D48-Y52 WeakPolarHBondContact O-CB 3.39Å; D48-Y52 PolarHBondContact O-N 3.14Å; L49-Y52 WeakPolarHBondContact O-CB 3.44Å; L49-Y52 PolarHBondContact O-N 3.36Å; Y52-V55 PolarHBondContact O-N 3.03Å; Y52-A56 WeakPolarHBondContact O-CB 3.27Å; Y52-A56 PolarHBondContact O-N 3.47Å |
| 53 | F | 97.6 | Very high | 97.4 | Very high | 51 Ų | 51 | 82.1 Ų | 82.1 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177 | -61.5 | -48.3 | 0 | 0 | 0 | 112.8 | Y43 L49 L50 N51 V55 A56 E57 V64 | Y43-F53 AromaticContact CD1-CE2 3.63Å; Y43-F53 HydrophobicContact CD1-CE2 3.63Å; Y43-F53 HydrophobicContact CD1-CZ 4.06Å; Y43-F53 AromaticContact CD2-CE2 3.78Å; Y43-F53 HydrophobicContact CD2-CE2 3.78Å; Y43-F53 HydrophobicContact CD2-CZ 4.2Å; Y43-F53 HydrophobicContact CE1-CE2 4.16Å; Y43-F53 HydrophobicContact CE1-CZ 4.12Å; Y43-F53 HydrophobicContact CE2-CE2 4.31Å; Y43-F53 HydrophobicContact CE2-CZ 4.27Å; Y43-F53 HydrophobicContact CG-CD2 4.28Å; Y43-F53 AromaticContact CG-CE2 3.42Å; Y43-F53 HydrophobicContact CG-CE2 3.42Å; Y43-F53 VanDerWaalsContact CG-CE2 3.42Å; Y43-F53 HydrophobicContact CG-CZ 4.11Å; L49-F53 HydrophobicContact CB-CE2 4.3Å; L49-F53 HydrophobicContact CD2-CE2 4.02Å; L49-F53 HydrophobicContact CD2-CZ 4.11Å; L49-F53 WeakPolarHBondContact O-CD2 3.42Å; L49-F53 PolarHBondContact O-N 3.17Å; L50-F53 PolarHBondContact O-N 3.41Å; N51-F53 VanDerWaalsContact C-N 3.34Å; N51-F53 PolarHBondContact O-N 2.84Å; F53-V55 VanDerWaalsContact C-N 3.31Å; F53-V55 PolarHBondContact O-N 2.92Å; F53-A56 PolarHBondContact O-N 2.75Å; F53-E57 WeakPolarHBondContact O-CB 3.31Å; F53-E57 PolarHBondContact O-N 2.84Å; F53-V64 HydrophobicContact CB-CG1 4.23Å |
| 54 | S | 97.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 78.9 Ų | 78.9 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 178.4 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | L50 N51 N58 E59 | L50-S54 WeakPolarHBondContact O-CB 3.39Å; L50-S54 PolarHBondContact O-N 3.18Å; L50-S54 PolarHBondContact O-OG 3.17Å; N51-S54 WeakPolarHBondContact CA-OG 3.45Å; N51-S54 PolarHBondContact O-N 3.43Å; N51-S54 PolarHBondContact O-OG 2.72Å; S54-N58 WeakPolarHBondContact O-CA 3.32Å; S54-N58 PolarHBondContact O-N 3.19Å; S54-N58 VanDerWaalsContact O-N 3.09Å; S54-E59 WeakPolarHBondContact CB-O 3.44Å; S54-E59 PolarHBondContact O-N 3.46Å |
| 55 | V | 97.8 | Very high | 97.5 | Very high | 118 Ų | 118 | 83 Ų | 83 | 72% | 0.715 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -73.5 | -43 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | N51 Y52 F53 E57 N58 | N51-V55 WeakPolarHBondContact O-CG2 3.49Å; N51-V55 PolarHBondContact O-N 3.35Å; Y52-V55 PolarHBondContact O-N 3.03Å; F53-V55 VanDerWaalsContact C-N 3.31Å; F53-V55 PolarHBondContact O-N 2.92Å; V55-E57 PolarHBondContact O-N 3.4Å; V55-N58 PolarHBondContact O-N 3.35Å |
| 56 | A | 98.1 | Very high | 97.6 | Very high | 75 Ų | 75 | 85 Ų | 85 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y52 F53 | Y52-A56 WeakPolarHBondContact O-CB 3.27Å; Y52-A56 PolarHBondContact O-N 3.47Å; F53-A56 PolarHBondContact O-N 2.75Å |
| 57 | E | 96.4 | Very high | 97.5 | Very high | 96 Ų | 96 | 82 Ų | 82 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -85.5 | -8.1 | 178.1 | -65.6 | -174.9 | -175.1 | 0 | 0 | 113.3 | F53 V55 E59 | F53-E57 WeakPolarHBondContact O-CB 3.31Å; F53-E57 PolarHBondContact O-N 2.84Å; V55-E57 PolarHBondContact O-N 3.4Å; E57-E59 VanDerWaalsContact C-N 3.26Å; E57-E59 HydrophobicContact CB-CB 4.35Å; E57-E59 HydrophobicContact CB-CG 4.44Å; E57-E59 PolarHBondContact O-N 2.99Å |
| 58 | N | 97.8 | Very high | 97.6 | Very high | 146 Ų | 146 | 77.1 Ų | 77.1 | 78% | 0.781 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 43.6 | -172.4 | -171.3 | 38 | 0 | 0 | 0 | 112.9 | S54 V55 | S54-N58 WeakPolarHBondContact O-CA 3.32Å; S54-N58 PolarHBondContact O-N 3.19Å; S54-N58 VanDerWaalsContact O-N 3.09Å; V55-N58 PolarHBondContact O-N 3.35Å |
| 59 | E | 97.6 | Very high | 97.5 | Very high | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | trans | -124.9 | 154.6 | -177.1 | -80.9 | -69.7 | 179.3 | 0 | 0 | 111 | S54 E57 R63 V64 | S54-E59 WeakPolarHBondContact CB-O 3.44Å; S54-E59 PolarHBondContact O-N 3.46Å; E57-E59 VanDerWaalsContact C-N 3.26Å; E57-E59 HydrophobicContact CB-CB 4.35Å; E57-E59 HydrophobicContact CB-CG 4.44Å; E57-E59 PolarHBondContact O-N 2.99Å; E59-R63 HydrophobicContact CB-CB 4.44Å; E59-R63 HydrophobicContact CB-CG 4.47Å; E59-R63 HydrophobicContact CG-CG 4.48Å; E59-R63 WeakPolarHBondContact OE2-CG 3.38Å; E59-V64 HydrophobicContact CB-CG2 4.08Å | ||
| 60 | S | 97.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 78.8 Ų | 78.8 | 49% | 0.49 | 40% | 0.399 | S | S | . | . | trans | -63.3 | 146.7 | 176.4 | 73.5 | 0 | 0 | 0 | 0 | 111 | A62 R63 V64 | S60-A62 PolarHBondContact O-N 3.49Å; S60-A62 VanDerWaalsContact O-N 3.11Å; S60-R63 WeakPolarHBondContact O-CA 3.16Å; S60-R63 WeakPolarHBondContact O-CB 3.31Å; S60-R63 PolarHBondContact O-N 3.08Å; S60-R63 WeakPolarHBondContact OG-CB 3.42Å; S60-R63 PolarHBondContact OG-N 3.18Å; S60-V64 PolarHBondContact O-N 3.29Å | ||
| 61 | K | 97 | Very high | 97.4 | Very high | 81 Ų | 81 | 83.6 Ų | 83.6 | 35% | 0.352 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55.1 | -34 | 176.8 | -58.3 | -176.9 | -167.1 | -173.8 | 0 | 112.5 | L50 N51 R65 | L50-K61 HydrophobicContact CD2-CB 4.35Å; N51-K61 WeakPolarHBondContact OD1-CD 3.35Å; N51-K61 WeakPolarHBondContact OD1-CE 3.39Å; N51-K61 PolarHBondContact OD1-NZ 3.49Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.19Å |
| 62 | A | 97.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 84 Ų | 84 | 60% | 0.603 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.4 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S60 R65 F66 | S60-A62 PolarHBondContact O-N 3.49Å; S60-A62 VanDerWaalsContact O-N 3.11Å; A62-R65 PolarHBondContact O-N 3.39Å; A62-F66 PolarHBondContact O-N 3.35Å |
| 63 | R | 97.5 | Very high | 97.1 | Very high | 129 Ų | 129 | 82.9 Ų | 82.9 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.1 | -172.5 | 67.4 | 166.6 | -169.2 | 1.7 | 111.7 | E59 S60 R65 F66 N67 | E59-R63 HydrophobicContact CB-CB 4.44Å; E59-R63 HydrophobicContact CB-CG 4.47Å; E59-R63 HydrophobicContact CG-CG 4.48Å; E59-R63 WeakPolarHBondContact OE2-CG 3.38Å; S60-R63 WeakPolarHBondContact O-CA 3.16Å; S60-R63 WeakPolarHBondContact O-CB 3.31Å; S60-R63 PolarHBondContact O-N 3.08Å; S60-R63 WeakPolarHBondContact OG-CB 3.42Å; S60-R63 PolarHBondContact OG-N 3.18Å; R63-R65 PolarHBondContact O-N 2.99Å; R63-F66 WeakPolarHBondContact O-CB 3.47Å; R63-F66 PolarHBondContact O-N 3.27Å; R63-N67 VanDerWaalsContact O-CG 3.23Å; R63-N67 PolarHBondContact O-N 3.28Å; R63-N67 PolarHBondContact O-OD1 3.36Å |
| 64 | V | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.012 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | L50 F53 E59 S60 F66 N67 L68 | L50-V64 HydrophobicContact CD1-CB 4.2Å; L50-V64 HydrophobicContact CD1-CG1 3.78Å; F53-V64 HydrophobicContact CB-CG1 4.23Å; E59-V64 HydrophobicContact CB-CG2 4.08Å; S60-V64 PolarHBondContact O-N 3.29Å; V64-F66 VanDerWaalsContact C-N 3.34Å; V64-F66 PolarHBondContact O-N 3.16Å; V64-N67 PolarHBondContact O-N 2.71Å; V64-L68 HydrophobicContact CG1-CD1 3.98Å; V64-L68 HydrophobicContact CG1-CG 4.31Å; V64-L68 WeakPolarHBondContact O-CB 3.41Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.21Å; V64-L68 PolarHBondContact O-N 2.8Å |
| 65 | R | 97.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 86.2 Ų | 86.2 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 174 | -76.6 | 179.2 | 175.1 | -170 | -2.5 | 112.3 | L50 K61 A62 R63 L68 M69 | L50-R65 HydrophobicContact CD1-CG 4.01Å; L50-R65 HydrophobicContact CD2-CG 3.92Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.19Å; A62-R65 PolarHBondContact O-N 3.39Å; R63-R65 PolarHBondContact O-N 2.99Å; R65-L68 PolarHBondContact O-N 3.07Å; R65-M69 VanDerWaalsContact O-CG 3.27Å; R65-M69 WeakPolarHBondContact O-CG 3.49Å; R65-M69 PolarHBondContact O-N 3.4Å |
| 66 | F | 97.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 82.5 Ų | 82.5 | 46% | 0.456 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 176.6 | 179.7 | -95.3 | 0 | 0 | 0 | 111.5 | A62 R63 V64 L68 M69 E70 | A62-F66 PolarHBondContact O-N 3.35Å; R63-F66 WeakPolarHBondContact O-CB 3.47Å; R63-F66 PolarHBondContact O-N 3.27Å; V64-F66 VanDerWaalsContact C-N 3.34Å; V64-F66 PolarHBondContact O-N 3.16Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.12Å; F66-M69 PolarHBondContact O-N 3.33Å; F66-E70 HydrophobicContact CD1-CG 4.37Å; F66-E70 HydrophobicContact CE1-CG 3.9Å; F66-E70 VanDerWaalsContact CE1-OE1 3.31Å; F66-E70 WeakPolarHBondContact CE1-OE1 3.32Å; F66-E70 WeakPolarHBondContact CE1-OE2 3.36Å; F66-E70 VanDerWaalsContact CZ-CD 3.49Å; F66-E70 HydrophobicContact CZ-CG 3.97Å; F66-E70 WeakPolarHBondContact CZ-OE1 3.25Å; F66-E70 PolarHBondContact O-N 3.36Å |
| 67 | N | 97 | Very high | 96.3 | Very high | 40 Ų | 40 | 80.1 Ų | 80.1 | 21% | 0.214 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 178.2 | -66.1 | -12.2 | 0 | 0 | 0 | 112.2 | R63 V64 E70 K71 | R63-N67 VanDerWaalsContact O-CG 3.23Å; R63-N67 PolarHBondContact O-N 3.28Å; R63-N67 PolarHBondContact O-OD1 3.36Å; V64-N67 PolarHBondContact O-N 2.71Å; N67-E70 PolarHBondContact O-N 3.05Å; N67-K71 VanDerWaalsContact O-CG 3.26Å; N67-K71 WeakPolarHBondContact O-CG 3.28Å; N67-K71 PolarHBondContact O-N 3.45Å; N67-K71 VanDerWaalsContact O-N 3.14Å |
| 68 | L | 97.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 80.1 Ų | 80.1 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 177 | -71 | 173.4 | 0 | 0 | 0 | 111.7 | Y40 Y43 M44 L50 V64 R65 F66 K71 M72 | Y40-L68 HydrophobicContact CD1-CD2 3.73Å; Y40-L68 HydrophobicContact CE1-CD2 4.21Å; Y40-L68 HydrophobicContact CG-CD2 4.31Å; Y43-L68 HydrophobicContact CD2-CD2 4.31Å; M44-L68 HydrophobicContact CG-CB 3.98Å; M44-L68 HydrophobicContact CG-CD1 3.66Å; M44-L68 HydrophobicContact CG-CG 4.49Å; M44-L68 HydrophobicContact SD-CB 3.89Å; L50-L68 HydrophobicContact CD1-CD1 4.49Å; V64-L68 HydrophobicContact CG1-CD1 3.98Å; V64-L68 HydrophobicContact CG1-CG 4.31Å; V64-L68 WeakPolarHBondContact O-CB 3.41Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.21Å; V64-L68 PolarHBondContact O-N 2.8Å; R65-L68 PolarHBondContact O-N 3.07Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.12Å; L68-K71 PolarHBondContact O-N 3.21Å; L68-M72 WeakPolarHBondContact O-CG 3.47Å; L68-M72 PolarHBondContact O-N 3.04Å |
| 69 | M | 96.8 | Very high | 95.6 | Very high | 111 Ų | 111 | 76.5 Ų | 76.5 | 55% | 0.547 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.6 | -71.4 | -65.7 | -65.1 | 0 | 0 | 112.1 | M44 R65 F66 K71 M72 | M44-M69 HydrophobicContact CE-CG 4.49Å; M44-M69 HydrophobicContact CE-SD 3.68Å; M44-M69 HydrophobicContact SD-CG 3.79Å; M44-M69 HydrophobicContact SD-SD 3.64Å; M44-M69 VanDerWaalsContact SD-SD 3.64Å; R65-M69 VanDerWaalsContact O-CG 3.27Å; R65-M69 WeakPolarHBondContact O-CG 3.49Å; R65-M69 PolarHBondContact O-N 3.4Å; F66-M69 PolarHBondContact O-N 3.33Å; M69-K71 VanDerWaalsContact C-N 3.31Å; M69-K71 PolarHBondContact O-N 3.02Å; M69-M72 WeakPolarHBondContact O-CB 3.45Å; M69-M72 PolarHBondContact O-N 3.14Å; M69-M72 HydrophobicContact SD-SD 3.98Å |
| 70 | E | 96.9 | Very high | 95 | Very high | 120 Ų | 120 | 76.3 Ų | 76.3 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 176.9 | -72.2 | -164.9 | 139.2 | 0 | 0 | 112 | F66 N67 M72 L73 | F66-E70 HydrophobicContact CD1-CG 4.37Å; F66-E70 HydrophobicContact CE1-CG 3.9Å; F66-E70 VanDerWaalsContact CE1-OE1 3.31Å; F66-E70 WeakPolarHBondContact CE1-OE1 3.32Å; F66-E70 WeakPolarHBondContact CE1-OE2 3.36Å; F66-E70 VanDerWaalsContact CZ-CD 3.49Å; F66-E70 HydrophobicContact CZ-CG 3.97Å; F66-E70 WeakPolarHBondContact CZ-OE1 3.25Å; F66-E70 PolarHBondContact O-N 3.36Å; N67-E70 PolarHBondContact O-N 3.05Å; E70-M72 PolarHBondContact O-N 2.96Å; E70-L73 PolarHBondContact O-N 3.42Å |
| 71 | K | 96.1 | Very high | 94.1 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.9 | -13.9 | 178 | -71.5 | 172.5 | -178.3 | 178 | 0 | 113.7 | Y40 N67 L68 M69 L73 P75 | Y40-K71 HydrophobicContact CD2-CB 4.26Å; Y40-K71 HydrophobicContact CE2-CB 3.57Å; N67-K71 VanDerWaalsContact O-CG 3.26Å; N67-K71 WeakPolarHBondContact O-CG 3.28Å; N67-K71 PolarHBondContact O-N 3.45Å; N67-K71 VanDerWaalsContact O-N 3.14Å; L68-K71 PolarHBondContact O-N 3.21Å; M69-K71 VanDerWaalsContact C-N 3.31Å; M69-K71 PolarHBondContact O-N 3.02Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.39Å; K71-P75 WeakPolarHBondContact O-CB 3.34Å |
| 72 | M | 95.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 83.5 Ų | 83.5 | 21% | 0.212 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.3 | 180 | -66 | -169.3 | 77.9 | 0 | 0 | 113.8 | R37 Y40 C41 M44 L68 M69 E70 | R37-M72 HydrophobicContact CB-CE 4.27Å; R37-M72 HydrophobicContact CG-CE 4.41Å; R37-M72 PolarHBondContact NE-O 3.18Å; R37-M72 PolarHBondContact NH2-O 3.45Å; Y40-M72 HydrophobicContact CD2-CG 4.12Å; C41-M72 VanDerWaalsContact SG-CE 3.53Å; M44-M72 HydrophobicContact CE-SD 3.85Å; L68-M72 WeakPolarHBondContact O-CG 3.47Å; L68-M72 PolarHBondContact O-N 3.04Å; M69-M72 WeakPolarHBondContact O-CB 3.45Å; M69-M72 PolarHBondContact O-N 3.14Å; M69-M72 HydrophobicContact SD-SD 3.98Å; E70-M72 PolarHBondContact O-N 2.96Å |
| 73 | L | 93.5 | Very high | 91.3 | Very high | 146 Ų | 146 | 85.7 Ų | 85.7 | 76% | 0.764 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -61.2 | -54.3 | -175.3 | -179.9 | 63.4 | 0 | 0 | 0 | 111 | R37 E70 K71 | R37-L73 PolarHBondContact NH2-O 3.07Å; E70-L73 PolarHBondContact O-N 3.42Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.39Å |
| 74 | Q | 92.9 | Very high | 89.5 | Confident | 101 Ų | 101 | 86.5 Ų | 86.5 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | trans | -145.3 | 71.5 | -176 | -166.7 | 176.1 | 57.5 | 0 | 0 | 111.4 | C76 G77 P78 | Q74-C76 VanDerWaalsContact C-N 3.28Å; Q74-C76 PolarHBondContact O-N 2.96Å; Q74-G77 VanDerWaalsContact CD-C 3.42Å; Q74-G77 WeakPolarHBondContact CG-O 3.27Å; Q74-G77 PolarHBondContact O-N 2.94Å; Q74-P78 VanDerWaalsContact NE2-CA 3.27Å | ||
| 75 | P | 95.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 92.7 Ų | 92.7 | 19% | 0.188 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -25.1 | -174.1 | 25.8 | -34.4 | 0 | 0 | 0 | 114.2 | V33 H36 R37 Y40 K71 | V33-P75 HydrophobicContact CG2-CG 3.59Å; H36-P75 HydrophobicContact CB-CB 3.66Å; H36-P75 HydrophobicContact CB-CG 3.76Å; R37-P75 HydrophobicContact CG-CG 4.46Å; Y40-P75 HydrophobicContact CE2-CB 3.88Å; K71-P75 WeakPolarHBondContact O-CB 3.34Å |
| 76 | C | 94.2 | Very high | 85.3 | Confident | 41 Ų | 41 | 94.5 Ų | 94.5 | 28% | 0.277 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 15.3 | -175.4 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | H36 Q74 | H36-C76 PolarHBondContact ND1-SG 3.42Å; Q74-C76 VanDerWaalsContact C-N 3.28Å; Q74-C76 PolarHBondContact O-N 2.96Å |
| 77 | G | 92.6 | Very high | 84.7 | Confident | 25 Ų | 25 | 94.1 Ų | 94.1 | 26% | 0.258 | 54% | 0.542 | S | S | . | . | trans | 70.1 | -176.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W29 Q74 | W29-G77 WeakPolarHBondContact CZ2-O 3.35Å; W29-G77 PolarHBondContact NE1-O 3.04Å; Q74-G77 VanDerWaalsContact CD-C 3.42Å; Q74-G77 WeakPolarHBondContact CG-O 3.27Å; Q74-G77 PolarHBondContact O-N 2.94Å | ||
| 78 | P | 91.8 | Very high | 84.1 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -57.9 | 145.7 | 176.3 | -23.6 | 34.4 | 0 | 0 | 0 | 112.6 | W29 Q74 | W29-P78 PolarHBondContact NE1-O 3.25Å; Q74-P78 VanDerWaalsContact NE2-CA 3.27Å |
| 79 | P | 88.4 | Confident | 83.4 | Confident | 70 Ų | 70 | 101.5 Ų | 101.5 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 153 | 169.4 | 28.2 | -33.1 | 0 | 0 | 0 | 110 | W29 | W29-P79 HydrophobicContact CD2-CB 3.78Å; W29-P79 HydrophobicContact CE3-CB 3.98Å; W29-P79 HydrophobicContact CG-CB 4.24Å; W29-P79 HydrophobicContact CH2-CB 4.33Å; W29-P79 HydrophobicContact CH2-CG 4.4Å; W29-P79 HydrophobicContact CZ2-CB 4.13Å; W29-P79 HydrophobicContact CZ2-CG 4.31Å; W29-P79 HydrophobicContact CZ3-CB 4.25Å |
| 80 | A | 83.6 | Confident | 82.6 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 74% | 0.744 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 81 | D | 78.4 | Confident | 81.7 | Confident | 151 Ų | 151 | 99.8 Ų | 99.8 | 81% | 0.807 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 140.8 | 174.8 | -61.3 | -41.6 | 0 | 0 | 0 | 109.9 | ||
| 82 | K | 71.9 | Confident | 80.7 | Confident | 150 Ų | 150 | 99.7 Ų | 99.7 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145 | 178.7 | -70.2 | -179 | -177.9 | 175.9 | 0 | 108.7 | D84 D85 | K82-D84 PolarHBondContact O-N 3.1Å; K82-D85 PolarHBondContact O-N 2.98Å; K82-D85 VanDerWaalsContact O-N 3.1Å |
| 83 | P | 64.8 | Low | 79.6 | Confident | 119 Ų | 119 | 103.8 Ų | 103.8 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -62 | -11.9 | -178 | 24.5 | -33.8 | 0 | 0 | 0 | 114.3 | ||
| 84 | D | 60.6 | Low | 78.6 | Confident | 147 Ų | 147 | 100.5 Ų | 100.5 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -86.2 | -5.7 | 178.7 | -60 | -38.2 | 0 | 0 | 0 | 113.8 | K82 | K82-D84 PolarHBondContact O-N 3.1Š|
| 85 | D | 58.8 | Low | 77.4 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -106 | 17.2 | -175.8 | -66.4 | -49.8 | 0 | 0 | 0 | 113.5 | K82 | K82-D85 PolarHBondContact O-N 2.98Å; K82-D85 VanDerWaalsContact O-N 3.1Å |
| 86 | A | 48.1 | Very low | 75.7 | Confident | 157 Ų | 157 | 107 Ų | 107 | 100% | 1.298 | 67% | 0.67 | S | S | * | * | trans | -123.7 | 0 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 |
Retrieved 86 of 86 residues in 55.3 ms
(Link to these results)