| 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 | 29.7 | Very low | 61.6 | Low | 240 Ų | 240 | 129.4 Ų | 129.4 | 100% | 1.182 | 64% | 0.637 | S | S | * | * | 0 | 102.5 | 0 | -148.3 | 175.5 | -163.8 | 0 | 0 | 106 | |||||
| 2 | L | 44.4 | Very low | 64.4 | Low | 164 Ų | 164 | 126.3 Ų | 126.3 | 86% | 0.859 | 62% | 0.624 | S | S | * | * | -142.8 | 117.7 | 84.8 | -72.1 | 149.4 | 0 | 0 | 0 | 107.3 | K4 | L2-K4 PolarHBondContact O-N 2.97Š| |||
| 3 | L | 51.9 | Low | 66.6 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 71% | 0.707 | 62% | 0.617 | S | S | * | * | trans | -50.1 | 104.9 | 166.8 | -81.1 | 161.1 | 0 | 0 | 0 | 107.1 | M5 Y7 | L3-M5 HydrophobicContact CB-CG 3.94Å; L3-M5 HydrophobicContact CB-SD 4.13Å; L3-M5 HydrophobicContact CD1-SD 4.29Å; L3-M5 PolarHBondContact O-N 3.27Å; L3-Y7 VanDerWaalsContact O-CE2 3.27Å; L3-Y7 WeakPolarHBondContact O-CE2 3.42Å | ||
| 4 | K | 44.5 | Very low | 68.5 | Low | 205 Ų | 205 | 114.7 Ų | 114.7 | 89% | 0.891 | 59% | 0.592 | S | S | * | * | trans | -74.2 | 62.1 | 174.9 | -144.4 | 164.6 | -177.8 | 168.6 | 0 | 105.8 | L2 N6 | L2-K4 PolarHBondContact O-N 2.97Å; K4-N6 PolarHBondContact O-N 2.8Å | ||
| 5 | M | 51.9 | Low | 69.9 | Low | 86 Ų | 86 | 112.1 Ų | 112.1 | 42% | 0.424 | 59% | 0.588 | S | S | . | * | trans | -69 | 66.5 | -178.5 | -84.7 | 166.9 | 88.8 | 0 | 0 | 108.4 | L3 Y7 F21 | L3-M5 HydrophobicContact CB-CG 3.94Å; L3-M5 HydrophobicContact CB-SD 4.13Å; L3-M5 HydrophobicContact CD1-SD 4.29Å; L3-M5 PolarHBondContact O-N 3.27Å; M5-Y7 HydrophobicContact CB-CD2 4.18Å; M5-Y7 HydrophobicContact CB-CE2 3.81Å; M5-Y7 WeakPolarHBondContact O-CA 3.26Å; M5-Y7 PolarHBondContact O-N 3.22Å; M5-F21 HydrophobicContact CE-CD1 4.06Å; M5-F21 HydrophobicContact CE-CE1 3.46Å; M5-F21 VanDerWaalsContact CE-CE1 3.46Å; M5-F21 HydrophobicContact CE-CZ 4.47Å | ||
| 6 | N | 51.6 | Low | 71.2 | Confident | 126 Ų | 126 | 105.1 Ų | 105.1 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | trans | 19.7 | 57.3 | 179.4 | -145.4 | -58.1 | 0 | 0 | 0 | 111.8 | K4 C8 | K4-N6 PolarHBondContact O-N 2.8Å; N6-C8 PolarHBondContact O-N 3.44Å; N6-C8 WeakPolarHBondContact OD1-CB 3.39Å; N6-C8 PolarHBondContact OD1-SG 2.68Å | ||
| 7 | Y | 57.7 | Low | 71.9 | Confident | 143 Ų | 143 | 101.5 Ų | 101.5 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | trans | -72.9 | 28.4 | -174.9 | -72.1 | -79.7 | 0 | 0 | 0 | 109.7 | L3 M5 C9 | L3-Y7 VanDerWaalsContact O-CE2 3.27Å; L3-Y7 WeakPolarHBondContact O-CE2 3.42Å; M5-Y7 HydrophobicContact CB-CD2 4.18Å; M5-Y7 HydrophobicContact CB-CE2 3.81Å; M5-Y7 WeakPolarHBondContact O-CA 3.26Å; M5-Y7 PolarHBondContact O-N 3.22Å; Y7-C9 PolarHBondContact O-N 3.15Å | ||
| 8 | C | 76.2 | Confident | 71.5 | Confident | 76 Ų | 76 | 98.1 Ų | 98.1 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | trans | -60.4 | 107.2 | 171.5 | -69.1 | 0 | 0 | 0 | 0 | 105.7 | N6 Q10 | N6-C8 PolarHBondContact O-N 3.44Å; N6-C8 WeakPolarHBondContact OD1-CB 3.39Å; N6-C8 PolarHBondContact OD1-SG 2.68Å; C8-Q10 PolarHBondContact O-NE2 3.2Å; C8-Q10 VanDerWaalsContact O-NE2 3.13Å | ||
| 9 | C | 87.5 | Confident | 71.2 | Confident | 42 Ų | 42 | 96.3 Ų | 96.3 | 28% | 0.284 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 153 | 168.6 | 61.1 | 0 | 0 | 0 | 0 | 108.9 | Y7 R23 C25 | Y7-C9 PolarHBondContact O-N 3.15Å; C9-R23 CarbonylContact C-O 3.51Å; C9-R23 WeakPolarHBondContact CA-O 3.48Å; C9-R23 HydrophobicContact CB-CG 4.14Å; C9-C25 VanDerWaalsContact CA-SG 3.57Å; C9-C25 HydrophobicContact CB-CB 3.8Å; C9-C25 WeakPolarHBondContact CB-SG 3.01Å; C9-C25 PolarHBondContact O-SG 2.77Å; C9-C25 WeakPolarHBondContact SG-CA 3.48Å; C9-C25 WeakPolarHBondContact SG-CB 3.5Å; C9-C25 CovalentContact SG-SG 2.03Å; C9-C25 PolarHBondContact SG-SG 2.03Å |
| 10 | Q | 89.5 | Confident | 70.9 | Confident | 48 Ų | 48 | 96.8 Ų | 96.8 | 22% | 0.224 | 53% | 0.527 | C | S | . | . | B | Isolated β-bridge | trans | -88.6 | 135.1 | -173.3 | -58.8 | -58.9 | -41.7 | 0 | 0 | 109.6 | C8 S15 R22 R23 C25 C40 | C8-Q10 PolarHBondContact O-NE2 3.2Å; C8-Q10 VanDerWaalsContact O-NE2 3.13Å; Q10-S15 WeakPolarHBondContact CG-O 3.43Å; Q10-R22 HydrophobicContact CG-CB 4.13Å; Q10-R23 PolarHBondContact N-O 3.38Å; Q10-C25 PolarHBondContact O-N 2.79Å; Q10-C40 WeakPolarHBondContact CB-SG 3.38Å |
| 11 | K | 93.1 | Very high | 70.9 | Confident | 158 Ų | 158 | 98 Ų | 98 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 169.5 | 178.9 | -65.4 | -178.2 | -178.6 | 178 | 0 | 110.3 | G13 S14 C40 | K11-G13 PolarHBondContact O-N 2.92Å; K11-S14 WeakPolarHBondContact O-CB 3.39Å; K11-S14 PolarHBondContact O-N 2.85Å; K11-S14 PolarHBondContact O-OG 3.47Å; K11-C40 VanDerWaalsContact O-CB 3.29Å; K11-C40 WeakPolarHBondContact O-CB 3.43Å |
| 12 | L | 94.9 | Very high | 73.3 | Confident | 93 Ų | 93 | 92.9 Ų | 92.9 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.4 | 173.1 | -175.9 | 71.4 | 0 | 0 | 0 | 110.2 | S14 L28 | L12-S14 PolarHBondContact O-N 3.5Å; L12-L28 HydrophobicContact CB-CD1 4.24Å; L12-L28 HydrophobicContact CB-CD2 4.3Å; L12-L28 HydrophobicContact CD1-CD2 3.74Å |
| 13 | G | 93 | Very high | 75.3 | Confident | 51 Ų | 51 | 92.8 Ų | 92.8 | 53% | 0.526 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -6.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K11 C40 | K11-G13 PolarHBondContact O-N 2.92Å; G13-C40 PolarHBondContact N-O 2.88Å |
| 14 | S | 92.4 | Very high | 77.2 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | trans | -82.5 | 151.2 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | K11 L12 C40 | K11-S14 WeakPolarHBondContact O-CB 3.39Å; K11-S14 PolarHBondContact O-N 2.85Å; K11-S14 PolarHBondContact O-OG 3.47Å; L12-S14 PolarHBondContact O-N 3.5Å; S14-C40 PolarHBondContact O-N 2.82Å | ||
| 15 | S | 90.5 | Very high | 79.5 | Confident | 75 Ų | 75 | 79 Ų | 79 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.5 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | Q10 G38 | Q10-S15 WeakPolarHBondContact CG-O 3.43Å; S15-G38 CarbonylContact C-O 3.59Å; S15-G38 VanDerWaalsContact CA-O 3.24Å; S15-G38 WeakPolarHBondContact CA-O 2.83Å |
| 16 | C | 90.8 | Very high | 81.3 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.007 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 159.6 | 173.3 | 52 | 0 | 0 | 0 | 0 | 110.2 | R22 C30 A37 G38 | C16-R22 VanDerWaalsContact CA-O 3.29Å; C16-R22 WeakPolarHBondContact CA-O 2.96Å; C16-R22 WeakPolarHBondContact CB-O 3.4Å; C16-C30 HydrophobicContact CB-CB 3.95Å; C16-C30 WeakPolarHBondContact CB-SG 3.08Å; C16-C30 WeakPolarHBondContact SG-CA 3.26Å; C16-C30 WeakPolarHBondContact SG-CB 2.96Å; C16-C30 CovalentContact SG-SG 2.02Å; C16-C30 PolarHBondContact SG-SG 3.46Å; C16-A37 CarbonylContact O-C 3.53Å; C16-G38 PolarHBondContact N-O 3.43Å; C16-G38 PolarHBondContact O-N 3.47Å; C16-G38 PolarHBondContact SG-O 3.01Å |
| 17 | T | 82.5 | Confident | 83.2 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 27% | 0.27 | 45% | 0.453 | S | S | . | . | trans | -121.4 | 7 | 179.3 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | T19 | T17-T19 PolarHBondContact O-N 2.86Å; T17-T19 PolarHBondContact OG1-OG1 2.02Å | ||
| 18 | G | 64.1 | Low | 85 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 65.3 | -16.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117 | Y32 | G18-Y32 WeakPolarHBondContact CA-OH 3.31Š|
| 19 | T | 67 | Low | 85.8 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -74 | 156.6 | 167.8 | 69 | 0 | 0 | 0 | 0 | 110 | T17 F21 R22 | T17-T19 PolarHBondContact O-N 2.86Å; T17-T19 PolarHBondContact OG1-OG1 2.02Å; T19-F21 PolarHBondContact O-N 3.32Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.41Å; T19-R22 PolarHBondContact O-N 3.48Å |
| 20 | V | 65 | Low | 86 | Confident | 105 Ų | 105 | 74.2 Ų | 74.2 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -55.4 | -17.3 | 175.3 | -81.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 21 | F | 69.7 | Low | 86.3 | Confident | 122 Ų | 122 | 72 Ų | 72 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -73.1 | -32.9 | -179.2 | -56.9 | -63.9 | 0 | 0 | 0 | 113.7 | M5 T19 | M5-F21 HydrophobicContact CE-CD1 4.06Å; M5-F21 HydrophobicContact CE-CE1 3.46Å; M5-F21 VanDerWaalsContact CE-CE1 3.46Å; M5-F21 HydrophobicContact CE-CZ 4.47Å; T19-F21 PolarHBondContact O-N 3.32Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.41Å |
| 22 | R | 80.4 | Confident | 86.1 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -133.6 | 60.5 | 179.1 | -62 | -174.6 | -176.8 | 162.1 | -0.2 | 111 | Q10 C16 T19 | Q10-R22 HydrophobicContact CG-CB 4.13Å; C16-R22 VanDerWaalsContact CA-O 3.29Å; C16-R22 WeakPolarHBondContact CA-O 2.96Å; C16-R22 WeakPolarHBondContact CB-O 3.4Å; T19-R22 PolarHBondContact O-N 3.48Å |
| 23 | R | 88 | Confident | 85.5 | Confident | 162 Ų | 162 | 68.1 Ų | 68.1 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 148.1 | 175.2 | 76 | -179.9 | -154.5 | 171.2 | 5.7 | 111.3 | C9 Q10 | C9-R23 CarbonylContact C-O 3.51Å; C9-R23 WeakPolarHBondContact CA-O 3.48Å; C9-R23 HydrophobicContact CB-CG 4.14Å; Q10-R23 PolarHBondContact N-O 3.38Å |
| 24 | C | 91.3 | Very high | 84.7 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 153.4 | 172.4 | -55 | 0 | 0 | 0 | 0 | 112.3 | L28 C40 | C24-L28 HydrophobicContact CB-CB 3.55Å; C24-C40 WeakPolarHBondContact CA-SG 3.08Å; C24-C40 HydrophobicContact CB-CB 3.74Å; C24-C40 WeakPolarHBondContact CB-SG 3.35Å; C24-C40 WeakPolarHBondContact SG-CA 3.34Å; C24-C40 WeakPolarHBondContact SG-CB 3.13Å; C24-C40 CovalentContact SG-SG 2.03Å; C24-C40 PolarHBondContact SG-SG 2.83Å |
| 25 | C | 91.8 | Very high | 83.9 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -76.4 | 140.7 | 179.7 | -70 | 0 | 0 | 0 | 0 | 113.3 | C9 Q10 K27 L28 | C9-C25 VanDerWaalsContact CA-SG 3.57Å; C9-C25 HydrophobicContact CB-CB 3.8Å; C9-C25 WeakPolarHBondContact CB-SG 3.01Å; C9-C25 PolarHBondContact O-SG 2.77Å; C9-C25 WeakPolarHBondContact SG-CA 3.48Å; C9-C25 WeakPolarHBondContact SG-CB 3.5Å; C9-C25 CovalentContact SG-SG 2.03Å; C9-C25 PolarHBondContact SG-SG 2.03Å; Q10-C25 PolarHBondContact O-N 2.79Å; C25-K27 PolarHBondContact O-N 3.36Å; C25-K27 VanDerWaalsContact O-N 3.16Å; C25-L28 HydrophobicContact CB-CD1 4.38Å; C25-L28 VanDerWaalsContact O-CB 3.26Å; C25-L28 WeakPolarHBondContact O-CB 3.04Å; C25-L28 VanDerWaalsContact O-CG 3.3Å; C25-L28 WeakPolarHBondContact O-CG 3.3Å; C25-L28 PolarHBondContact O-N 3.03Å |
| 26 | G | 90 | Very high | 83.2 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 85% | 0.845 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -117.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 27 | K | 92.2 | Very high | 82.9 | Confident | 203 Ų | 203 | 81.7 Ų | 81.7 | 88% | 0.883 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 2.9 | -178.8 | -62.7 | -178.1 | -179.2 | 177.2 | 0 | 113.7 | C25 | C25-K27 PolarHBondContact O-N 3.36Å; C25-K27 VanDerWaalsContact O-N 3.16Å |
| 28 | L | 94.3 | Very high | 83.4 | Confident | 32 Ų | 32 | 79.6 Ų | 79.6 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | trans | -65 | 145.5 | 177 | -65.3 | 175.6 | 0 | 0 | 0 | 110.6 | L12 C24 C25 C40 Q41 N42 | L12-L28 HydrophobicContact CB-CD1 4.24Å; L12-L28 HydrophobicContact CB-CD2 4.3Å; L12-L28 HydrophobicContact CD1-CD2 3.74Å; C24-L28 HydrophobicContact CB-CB 3.55Å; C25-L28 HydrophobicContact CB-CD1 4.38Å; C25-L28 VanDerWaalsContact O-CB 3.26Å; C25-L28 WeakPolarHBondContact O-CB 3.04Å; C25-L28 VanDerWaalsContact O-CG 3.3Å; C25-L28 WeakPolarHBondContact O-CG 3.3Å; C25-L28 PolarHBondContact O-N 3.03Å; L28-C40 HydrophobicContact CB-CB 4.49Å; L28-C40 HydrophobicContact CD1-CB 4.38Å; L28-Q41 WeakPolarHBondContact CA-O 3.42Å; L28-N42 WeakPolarHBondContact CD2-OD1 3.4Å | ||
| 29 | L | 93.9 | Very high | 84.9 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 18% | 0.183 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141.9 | -177.4 | -61.3 | 169.2 | 0 | 0 | 0 | 109.2 | E31 C40 Q41 I44 Q55 | L29-E31 PolarHBondContact O-N 2.72Å; L29-C40 CarbonylContact O-C 3.57Å; L29-C40 WeakPolarHBondContact O-CA 3.43Å; L29-Q41 PolarHBondContact N-O 2.53Å; L29-Q41 PolarHBondContact O-N 3.31Å; L29-I44 HydrophobicContact CB-CD1 4.34Å; L29-I44 HydrophobicContact CB-CG1 4.07Å; L29-I44 HydrophobicContact CD1-CD1 4.45Å; L29-I44 HydrophobicContact CD1-CG1 4.15Å; L29-Q55 HydrophobicContact CD1-CB 3.67Å; L29-Q55 HydrophobicContact CD1-CG 3.88Å; L29-Q55 WeakPolarHBondContact CD1-O 3.29Å; L29-Q55 HydrophobicContact CD2-CG 4.07Å |
| 30 | C | 92.7 | Very high | 86.2 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 14% | 0.142 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 108.2 | 172.4 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | C16 Y32 | C16-C30 HydrophobicContact CB-CB 3.95Å; C16-C30 WeakPolarHBondContact CB-SG 3.08Å; C16-C30 WeakPolarHBondContact SG-CA 3.26Å; C16-C30 WeakPolarHBondContact SG-CB 2.96Å; C16-C30 CovalentContact SG-SG 2.02Å; C16-C30 PolarHBondContact SG-SG 3.46Å; C30-Y32 HydrophobicContact CB-CE1 4.49Å; C30-Y32 HydrophobicContact CB-CE2 4.21Å; C30-Y32 WeakPolarHBondContact O-CD2 3.41Å; C30-Y32 PolarHBondContact O-N 3.25Å |
| 31 | E | 94.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 106 | 169.8 | 177.9 | 175.2 | 95.6 | 0 | 0 | 107.9 | L29 G38 T39 Q41 I44 R45 Y48 | L29-E31 PolarHBondContact O-N 2.72Å; E31-G38 CarbonylContact O-C 3.53Å; E31-G38 WeakPolarHBondContact O-CA 3.06Å; E31-T39 PolarHBondContact N-O 2.89Å; E31-T39 PolarHBondContact O-N 3.18Å; E31-Q41 HydrophobicContact CB-CG 3.94Å; E31-I44 HydrophobicContact CG-CG2 4.33Å; E31-R45 IonicContact OE1-CZ 3.22Å; E31-R45 VanDerWaalsContact OE1-CZ 3.22Å; E31-R45 IonicContact OE1-NE 2.87Å; E31-R45 PolarHBondContact OE1-NE 2.78Å; E31-R45 IonicContact OE1-NH2 2.72Å; E31-R45 PolarHBondContact OE1-NH2 3.09Å; E31-R45 VanDerWaalsContact OE2-CB 3.31Å; E31-R45 WeakPolarHBondContact OE2-CB 3.38Å; E31-R45 WeakPolarHBondContact OE2-CG 3.45Å; E31-R45 PolarHBondContact OE2-N 3.44Å; E31-R45 IonicContact OE2-NE 3.49Å; E31-R45 PolarHBondContact OE2-NE 3.09Å; E31-Y48 HydrophobicContact CG-CD1 3.38Å; E31-Y48 HydrophobicContact CG-CD2 4.14Å; E31-Y48 HydrophobicContact CG-CE1 3.73Å; E31-Y48 HydrophobicContact CG-CE2 4.46Å; E31-Y48 HydrophobicContact CG-CG 3.6Å |
| 32 | Y | 89.5 | Confident | 89 | Confident | 101 Ų | 101 | 73.3 Ų | 73.3 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129.1 | -175.7 | -63.9 | -84.6 | 0 | 0 | 0 | 112.5 | G18 C30 A37 Y48 | G18-Y32 WeakPolarHBondContact CA-OH 3.31Å; C30-Y32 HydrophobicContact CB-CE1 4.49Å; C30-Y32 HydrophobicContact CB-CE2 4.21Å; C30-Y32 WeakPolarHBondContact O-CD2 3.41Å; C30-Y32 PolarHBondContact O-N 3.25Å; Y32-A37 CarbonylContact C-O 3.49Å; Y32-A37 WeakPolarHBondContact CA-O 3.45Å; Y32-Y48 WeakPolarHBondContact O-CD1 3.18Å; Y32-Y48 WeakPolarHBondContact O-CE1 3.05Å |
| 33 | D | 83.3 | Confident | 89.7 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | trans | -75.5 | 165.2 | 163 | -55.8 | -62.8 | 0 | 0 | 0 | 110.2 | L35 G36 A37 | D33-L35 PolarHBondContact O-N 2.87Å; D33-G36 PolarHBondContact O-N 3.49Å; D33-A37 PolarHBondContact N-O 2.02Å | ||
| 34 | M | 74.2 | Confident | 90.1 | Very high | 200 Ų | 200 | 61.1 Ų | 61.1 | 99% | 0.985 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.1 | -177.5 | -63.5 | -166.2 | 176.8 | 0 | 0 | 114.5 | ||
| 35 | L | 76.1 | Confident | 90.3 | Very high | 165 Ų | 165 | 66.6 Ų | 66.6 | 86% | 0.864 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 11.8 | -176.7 | -60.2 | 177.9 | 0 | 0 | 0 | 114.1 | D33 A37 | D33-L35 PolarHBondContact O-N 2.87Å; L35-A37 PolarHBondContact O-N 2.74Å; L35-A37 VanDerWaalsContact O-N 3.15Å |
| 36 | G | 76.5 | Confident | 90.5 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 45% | 0.454 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 75.5 | -3.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D33 | D33-G36 PolarHBondContact O-N 3.49Š|
| 37 | A | 85.2 | Confident | 90.7 | Very high | 42 Ų | 42 | 70.2 Ų | 70.2 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | trans | -83.1 | 164.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | C16 Y32 D33 L35 | C16-A37 CarbonylContact O-C 3.53Å; Y32-A37 CarbonylContact C-O 3.49Å; Y32-A37 WeakPolarHBondContact CA-O 3.45Å; D33-A37 PolarHBondContact N-O 2.02Å; L35-A37 PolarHBondContact O-N 2.74Å; L35-A37 VanDerWaalsContact O-N 3.15Å | ||
| 38 | G | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | -177.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S15 C16 E31 | S15-G38 CarbonylContact C-O 3.59Å; S15-G38 VanDerWaalsContact CA-O 3.24Å; S15-G38 WeakPolarHBondContact CA-O 2.83Å; C16-G38 PolarHBondContact N-O 3.43Å; C16-G38 PolarHBondContact O-N 3.47Å; C16-G38 PolarHBondContact SG-O 3.01Å; E31-G38 CarbonylContact O-C 3.53Å; E31-G38 WeakPolarHBondContact O-CA 3.06Å |
| 39 | T | 94.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 22% | 0.221 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.5 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | E31 Q41 | E31-T39 PolarHBondContact N-O 2.89Å; E31-T39 PolarHBondContact O-N 3.18Å; T39-Q41 PolarHBondContact O-N 3.47Å |
| 40 | C | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 119.6 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | Q10 K11 G13 S14 C24 L28 L29 | Q10-C40 WeakPolarHBondContact CB-SG 3.38Å; K11-C40 VanDerWaalsContact O-CB 3.29Å; K11-C40 WeakPolarHBondContact O-CB 3.43Å; G13-C40 PolarHBondContact N-O 2.88Å; S14-C40 PolarHBondContact O-N 2.82Å; C24-C40 WeakPolarHBondContact CA-SG 3.08Å; C24-C40 HydrophobicContact CB-CB 3.74Å; C24-C40 WeakPolarHBondContact CB-SG 3.35Å; C24-C40 WeakPolarHBondContact SG-CA 3.34Å; C24-C40 WeakPolarHBondContact SG-CB 3.13Å; C24-C40 CovalentContact SG-SG 2.03Å; C24-C40 PolarHBondContact SG-SG 2.83Å; L28-C40 HydrophobicContact CB-CB 4.49Å; L28-C40 HydrophobicContact CD1-CB 4.38Å; L29-C40 CarbonylContact O-C 3.57Å; L29-C40 WeakPolarHBondContact O-CA 3.43Å |
| 41 | Q | 96.4 | Very high | 90.8 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 158.9 | -178.2 | -61.2 | -65.8 | -1.2 | 0 | 0 | 111.5 | L28 L29 E31 T39 C43 | L28-Q41 WeakPolarHBondContact CA-O 3.42Å; L29-Q41 PolarHBondContact N-O 2.53Å; L29-Q41 PolarHBondContact O-N 3.31Å; E31-Q41 HydrophobicContact CB-CG 3.94Å; T39-Q41 PolarHBondContact O-N 3.47Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 WeakPolarHBondContact CB-O 3.29Å |
| 42 | N | 96.7 | Very high | 90.8 | Very high | 115 Ų | 115 | 76.9 Ų | 76.9 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -72.4 | -28.2 | 170.3 | -74.5 | -42.5 | 0 | 0 | 0 | 112.1 | L28 | L28-N42 WeakPolarHBondContact CD2-OD1 3.4Š|
| 43 | C | 96.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 76.1 Ų | 76.1 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -153 | 154.8 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 109.2 | Q41 Q55 C57 | Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 WeakPolarHBondContact CB-O 3.29Å; C43-Q55 CarbonylContact C-O 3.59Å; C43-Q55 VanDerWaalsContact CA-O 3.25Å; C43-Q55 WeakPolarHBondContact CA-O 3.02Å; C43-Q55 WeakPolarHBondContact CB-O 3.42Å; C43-C57 HydrophobicContact CB-CB 3.91Å; C43-C57 WeakPolarHBondContact CB-SG 3.5Å; C43-C57 PolarHBondContact O-SG 3.28Å; C43-C57 WeakPolarHBondContact SG-CA 3.24Å; C43-C57 WeakPolarHBondContact SG-CB 2.96Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 2.91Å |
| 44 | I | 95.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 76.8 Ų | 76.8 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 131.2 | -178.8 | -59.4 | 177.8 | 0 | 0 | 0 | 108.7 | L29 E31 Y48 A49 Q55 C56 C57 C66 | L29-I44 HydrophobicContact CB-CD1 4.34Å; L29-I44 HydrophobicContact CB-CG1 4.07Å; L29-I44 HydrophobicContact CD1-CD1 4.45Å; L29-I44 HydrophobicContact CD1-CG1 4.15Å; E31-I44 HydrophobicContact CG-CG2 4.33Å; I44-Y48 HydrophobicContact CG2-CG 4.37Å; I44-A49 WeakPolarHBondContact CD1-O 3.07Å; I44-Q55 HydrophobicContact CD1-CB 4.1Å; I44-Q55 PolarHBondContact N-O 2.92Å; I44-C56 WeakPolarHBondContact O-CA 3.42Å; I44-C57 PolarHBondContact O-N 3.34Å; I44-C57 PolarHBondContact O-SG 3.02Å; I44-C66 HydrophobicContact CG2-CB 4.48Å |
| 45 | R | 95.8 | Very high | 92.8 | Very high | 131 Ų | 131 | 68.8 Ų | 68.8 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -74 | 163.6 | 179.6 | -67.4 | -177.5 | -77.1 | -177.9 | -1.7 | 111.4 | E31 Y48 C66 | E31-R45 IonicContact OE1-CZ 3.22Å; E31-R45 VanDerWaalsContact OE1-CZ 3.22Å; E31-R45 IonicContact OE1-NE 2.87Å; E31-R45 PolarHBondContact OE1-NE 2.78Å; E31-R45 IonicContact OE1-NH2 2.72Å; E31-R45 PolarHBondContact OE1-NH2 3.09Å; E31-R45 VanDerWaalsContact OE2-CB 3.31Å; E31-R45 WeakPolarHBondContact OE2-CB 3.38Å; E31-R45 WeakPolarHBondContact OE2-CG 3.45Å; E31-R45 PolarHBondContact OE2-N 3.44Å; E31-R45 IonicContact OE2-NE 3.49Å; E31-R45 PolarHBondContact OE2-NE 3.09Å; R45-Y48 HydrophobicContact CB-CD2 4.09Å; R45-Y48 HydrophobicContact CB-CE2 4.4Å; R45-Y48 WeakPolarHBondContact O-CB 3.2Å; R45-Y48 PolarHBondContact O-N 3.45Å; R45-C66 VanDerWaalsContact O-CB 3.3Å; R45-C66 WeakPolarHBondContact O-CB 3.47Å |
| 46 | S | 95.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 149.1 | 177.5 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | Y48 C66 V67 | S46-Y48 VanDerWaalsContact C-N 3.26Å; S46-Y48 WeakPolarHBondContact O-CD2 3.25Å; S46-Y48 PolarHBondContact O-N 3.49Å; S46-C66 CarbonylContact C-O 3.41Å; S46-C66 VanDerWaalsContact CA-O 3.26Å; S46-C66 WeakPolarHBondContact CA-O 3.27Å; S46-V67 WeakPolarHBondContact CB-OXT 3.02Å; S46-V67 PolarHBondContact OG-OXT 2.75Å |
| 47 | N | 93.7 | Very high | 94.8 | Very high | 142 Ų | 142 | 61.7 Ų | 61.7 | 76% | 0.759 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 6.1 | -174.5 | -51.9 | -69.3 | 0 | 0 | 0 | 116.1 | C66 | N47-C66 PolarHBondContact N-O 2.03Š|
| 48 | Y | 93.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -103.8 | 155 | 173.7 | -72.3 | -94.4 | 0 | 0 | 0 | 112.2 | E31 Y32 I44 R45 S46 V65 C66 | E31-Y48 HydrophobicContact CG-CD1 3.38Å; E31-Y48 HydrophobicContact CG-CD2 4.14Å; E31-Y48 HydrophobicContact CG-CE1 3.73Å; E31-Y48 HydrophobicContact CG-CE2 4.46Å; E31-Y48 HydrophobicContact CG-CG 3.6Å; Y32-Y48 WeakPolarHBondContact O-CD1 3.18Å; Y32-Y48 WeakPolarHBondContact O-CE1 3.05Å; I44-Y48 HydrophobicContact CG2-CG 4.37Å; R45-Y48 HydrophobicContact CB-CD2 4.09Å; R45-Y48 HydrophobicContact CB-CE2 4.4Å; R45-Y48 WeakPolarHBondContact O-CB 3.2Å; R45-Y48 PolarHBondContact O-N 3.45Å; S46-Y48 VanDerWaalsContact C-N 3.26Å; S46-Y48 WeakPolarHBondContact O-CD2 3.25Å; S46-Y48 PolarHBondContact O-N 3.49Å; Y48-V65 CarbonylContact O-C 3.54Å; Y48-V65 WeakPolarHBondContact O-CA 3.3Å; Y48-C66 PolarHBondContact O-N 2.91Å |
| 49 | A | 92.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 139.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I44 L64 | I44-A49 WeakPolarHBondContact CD1-O 3.07Å; A49-L64 CarbonylContact C-O 3.55Å; A49-L64 VanDerWaalsContact CA-O 3.26Å; A49-L64 WeakPolarHBondContact CA-O 3.26Å |
| 50 | C | 94.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 72.6 Ų | 72.6 | 5% | 0.054 | 38% | 0.375 | C | S | . | . | trans | -144 | 159.9 | 177.5 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | C56 C61 L64 V65 C66 | C50-C56 VanDerWaalsContact SG-SG 3.66Å; C50-C61 HydrophobicContact CB-CB 3.96Å; C50-C61 WeakPolarHBondContact CB-SG 3.21Å; C50-C61 PolarHBondContact O-SG 2.76Å; C50-C61 WeakPolarHBondContact SG-CA 3.45Å; C50-C61 WeakPolarHBondContact SG-CB 3.48Å; C50-C61 CovalentContact SG-SG 2.02Å; C50-C61 PolarHBondContact SG-SG 3.38Å; C50-L64 PolarHBondContact N-O 2.86Å; C50-L64 CarbonylContact O-C 3.49Å; C50-L64 WeakPolarHBondContact O-CA 3.19Å; C50-L64 WeakPolarHBondContact O-CD2 3.44Å; C50-L64 VanDerWaalsContact SG-C 3.59Å; C50-V65 PolarHBondContact SG-N 2.7Å; C50-V65 PolarHBondContact SG-O 2.94Å; C50-C66 VanDerWaalsContact CB-SG 3.5Å; C50-C66 PolarHBondContact SG-N 3.12Å | ||
| 51 | M | 94.1 | Very high | 95.9 | Very high | 152 Ų | 152 | 73.9 Ų | 73.9 | 75% | 0.749 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -114.6 | -25.4 | 172.4 | -64.9 | -172.9 | -74.6 | 0 | 0 | 112.4 | ||
| 52 | K | 95.7 | Very high | 96 | Very high | 143 Ų | 143 | 77.7 Ų | 77.7 | 62% | 0.622 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -139.2 | 144.6 | -177 | -60.8 | -177.1 | -178.2 | -177.7 | 0 | 110.8 | S54 Q55 | K52-S54 PolarHBondContact O-N 3.22Å; K52-Q55 HydrophobicContact CB-CG 4.3Å; K52-Q55 VanDerWaalsContact O-CB 3.29Å; K52-Q55 WeakPolarHBondContact O-CB 3.12Å; K52-Q55 PolarHBondContact O-N 2.83Å |
| 53 | N | 97.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 80.8 Ų | 80.8 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -48.8 | -42.6 | 172.8 | -75.9 | -2 | 0 | 0 | 0 | 113 | Q55 C56 K59 C61 | N53-Q55 PolarHBondContact O-N 2.79Å; N53-Q55 VanDerWaalsContact O-N 3.09Å; N53-C56 PolarHBondContact O-N 2.03Å; N53-C56 VanDerWaalsContact O-N 3.09Å; N53-K59 WeakPolarHBondContact CB-O 3.45Å; N53-K59 CarbonylContact O-C 3.45Å; N53-K59 VanDerWaalsContact O-CA 3.3Å; N53-K59 WeakPolarHBondContact O-CA 2.98Å; N53-C61 WeakPolarHBondContact OD1-CA 3.02Å; N53-C61 WeakPolarHBondContact OD1-CB 3.29Å; N53-C61 PolarHBondContact OD1-N 2.98Å; N53-C61 PolarHBondContact OD1-O 3.13Å |
| 54 | S | 95.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 85.1 Ų | 85.1 | 58% | 0.58 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -61.7 | -21.6 | -178.3 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | K52 K59 | K52-S54 PolarHBondContact O-N 3.22Å; S54-K59 PolarHBondContact O-NZ 3.24Å; S54-K59 VanDerWaalsContact O-NZ 3.1Å |
| 55 | Q | 95.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 87.3 Ų | 87.3 | 15% | 0.145 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -73.8 | -33.4 | 177.6 | -65.1 | 178.3 | -57.7 | 0 | 0 | 112.3 | L29 C43 I44 K52 N53 | L29-Q55 HydrophobicContact CD1-CB 3.67Å; L29-Q55 HydrophobicContact CD1-CG 3.88Å; L29-Q55 WeakPolarHBondContact CD1-O 3.29Å; L29-Q55 HydrophobicContact CD2-CG 4.07Å; C43-Q55 CarbonylContact C-O 3.59Å; C43-Q55 VanDerWaalsContact CA-O 3.25Å; C43-Q55 WeakPolarHBondContact CA-O 3.02Å; C43-Q55 WeakPolarHBondContact CB-O 3.42Å; I44-Q55 HydrophobicContact CD1-CB 4.1Å; I44-Q55 PolarHBondContact N-O 2.92Å; K52-Q55 HydrophobicContact CB-CG 4.3Å; K52-Q55 VanDerWaalsContact O-CB 3.29Å; K52-Q55 WeakPolarHBondContact O-CB 3.12Å; K52-Q55 PolarHBondContact O-N 2.83Å; N53-Q55 PolarHBondContact O-N 2.79Å; N53-Q55 VanDerWaalsContact O-N 3.09Å |
| 56 | C | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 145.6 | -177.8 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | I44 C50 N53 S58 K59 Y60 C66 | I44-C56 WeakPolarHBondContact O-CA 3.42Å; C50-C56 VanDerWaalsContact SG-SG 3.66Å; N53-C56 PolarHBondContact O-N 2.03Å; N53-C56 VanDerWaalsContact O-N 3.09Å; C56-S58 VanDerWaalsContact C-N 3.26Å; C56-K59 PolarHBondContact O-N 2.79Å; C56-K59 PolarHBondContact O-NZ 2.81Å; C56-K59 VanDerWaalsContact O-NZ 3.12Å; C56-Y60 PolarHBondContact SG-O 2.83Å; C56-C66 WeakPolarHBondContact CA-SG 3.39Å; C56-C66 HydrophobicContact CB-CB 3.71Å; C56-C66 WeakPolarHBondContact CB-SG 3.49Å; C56-C66 WeakPolarHBondContact SG-CA 3.3Å; C56-C66 WeakPolarHBondContact SG-CB 3.15Å; C56-C66 CovalentContact SG-SG 2.03Å; C56-C66 PolarHBondContact SG-SG 3.1Å |
| 57 | C | 97.7 | Very high | 95.8 | Very high | 60 Ų | 60 | 83.2 Ų | 83.2 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -64.4 | -37.4 | 171.7 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | C43 I44 K59 | C43-C57 HydrophobicContact CB-CB 3.91Å; C43-C57 WeakPolarHBondContact CB-SG 3.5Å; C43-C57 PolarHBondContact O-SG 3.28Å; C43-C57 WeakPolarHBondContact SG-CA 3.24Å; C43-C57 WeakPolarHBondContact SG-CB 2.96Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 2.91Å; I44-C57 PolarHBondContact O-N 3.34Å; I44-C57 PolarHBondContact O-SG 3.02Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.1Å |
| 58 | S | 97.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 80.3 Ų | 80.3 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -71.5 | -15.5 | 175 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | C56 Y60 V67 | C56-S58 VanDerWaalsContact C-N 3.26Å; S58-Y60 WeakPolarHBondContact O-CD2 3.33Å; S58-Y60 WeakPolarHBondContact O-CE2 3.39Å; S58-Y60 PolarHBondContact O-N 3.29Å; S58-Y60 PolarHBondContact OG-N 3.39Å; S58-V67 WeakPolarHBondContact CB-O 3Å; S58-V67 PolarHBondContact OG-O 2.84Å |
| 59 | K | 97.5 | Very high | 96 | Very high | 108 Ų | 108 | 81.1 Ų | 81.1 | 47% | 0.47 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 66.2 | 18.2 | -169.5 | -51.6 | -63 | 168.9 | -146.9 | 0 | 115.5 | N53 S54 C56 C57 | N53-K59 WeakPolarHBondContact CB-O 3.45Å; N53-K59 CarbonylContact O-C 3.45Å; N53-K59 VanDerWaalsContact O-CA 3.3Å; N53-K59 WeakPolarHBondContact O-CA 2.98Å; S54-K59 PolarHBondContact O-NZ 3.24Å; S54-K59 VanDerWaalsContact O-NZ 3.1Å; C56-K59 PolarHBondContact O-N 2.79Å; C56-K59 PolarHBondContact O-NZ 2.81Å; C56-K59 VanDerWaalsContact O-NZ 3.12Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.1Å |
| 60 | Y | 97.6 | Very high | 96.2 | Very high | 158 Ų | 158 | 82 Ų | 82 | 62% | 0.62 | 42% | 0.415 | S | S | * | . | trans | -125.8 | 116.1 | 175.6 | -64.3 | -80.4 | 0 | 0 | 0 | 111.1 | C56 S58 C66 V67 | C56-Y60 PolarHBondContact SG-O 2.83Å; S58-Y60 WeakPolarHBondContact O-CD2 3.33Å; S58-Y60 WeakPolarHBondContact O-CE2 3.39Å; S58-Y60 PolarHBondContact O-N 3.29Å; S58-Y60 PolarHBondContact OG-N 3.39Å; Y60-C66 WeakPolarHBondContact O-CA 3.37Å; Y60-V67 PolarHBondContact O-N 2.03Å | ||
| 61 | C | 97.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 86.4 Ų | 86.4 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 106.7 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | C50 N53 | C50-C61 HydrophobicContact CB-CB 3.96Å; C50-C61 WeakPolarHBondContact CB-SG 3.21Å; C50-C61 PolarHBondContact O-SG 2.76Å; C50-C61 WeakPolarHBondContact SG-CA 3.45Å; C50-C61 WeakPolarHBondContact SG-CB 3.48Å; C50-C61 CovalentContact SG-SG 2.02Å; C50-C61 PolarHBondContact SG-SG 3.38Å; N53-C61 WeakPolarHBondContact OD1-CA 3.02Å; N53-C61 WeakPolarHBondContact OD1-CB 3.29Å; N53-C61 PolarHBondContact OD1-N 2.98Å; N53-C61 PolarHBondContact OD1-O 3.13Å |
| 62 | K | 97.5 | Very high | 96.5 | Very high | 127 Ų | 127 | 82.3 Ų | 82.3 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.7 | -176 | -165.9 | -175.7 | -177.1 | -176.6 | 0 | 109.1 | L64 V65 V67 | K62-L64 PolarHBondContact O-N 3.16Å; K62-V65 PolarHBondContact N-O 2.68Å; K62-V65 PolarHBondContact O-N 3.13Å; K62-V67 HydrophobicContact CB-CG2 3.64Å |
| 63 | F | 95.6 | Very high | 96.5 | Very high | 181 Ų | 181 | 78.2 Ų | 78.2 | 79% | 0.794 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.1 | -176.6 | -56.2 | -63.9 | 0 | 0 | 0 | 113.2 | V65 | F63-V65 PolarHBondContact O-N 3.05Š|
| 64 | L | 94.3 | Very high | 96.5 | Very high | 124 Ų | 124 | 77.8 Ų | 77.8 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 17.8 | -177.4 | -56.3 | 172 | 0 | 0 | 0 | 115.2 | A49 C50 K62 | A49-L64 CarbonylContact C-O 3.55Å; A49-L64 VanDerWaalsContact CA-O 3.26Å; A49-L64 WeakPolarHBondContact CA-O 3.26Å; C50-L64 PolarHBondContact N-O 2.86Å; C50-L64 CarbonylContact O-C 3.49Å; C50-L64 WeakPolarHBondContact O-CA 3.19Å; C50-L64 WeakPolarHBondContact O-CD2 3.44Å; C50-L64 VanDerWaalsContact SG-C 3.59Å; K62-L64 PolarHBondContact O-N 3.16Å |
| 65 | V | 95.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 77.4 Ų | 77.4 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.9 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | Y48 C50 K62 F63 V67 | Y48-V65 CarbonylContact O-C 3.54Å; Y48-V65 WeakPolarHBondContact O-CA 3.3Å; C50-V65 PolarHBondContact SG-N 2.7Å; C50-V65 PolarHBondContact SG-O 2.94Å; K62-V65 PolarHBondContact N-O 2.68Å; K62-V65 PolarHBondContact O-N 3.13Å; F63-V65 PolarHBondContact O-N 3.05Å; V65-V67 PolarHBondContact O-N 2.75Å |
| 66 | C | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.7 | 172 | -71 | 0 | 0 | 0 | 0 | 109.4 | I44 R45 S46 N47 Y48 C50 C56 Y60 | I44-C66 HydrophobicContact CG2-CB 4.48Å; R45-C66 VanDerWaalsContact O-CB 3.3Å; R45-C66 WeakPolarHBondContact O-CB 3.47Å; S46-C66 CarbonylContact C-O 3.41Å; S46-C66 VanDerWaalsContact CA-O 3.26Å; S46-C66 WeakPolarHBondContact CA-O 3.27Å; N47-C66 PolarHBondContact N-O 2.03Å; Y48-C66 PolarHBondContact O-N 2.91Å; C50-C66 VanDerWaalsContact CB-SG 3.5Å; C50-C66 PolarHBondContact SG-N 3.12Å; C56-C66 WeakPolarHBondContact CA-SG 3.39Å; C56-C66 HydrophobicContact CB-CB 3.71Å; C56-C66 WeakPolarHBondContact CB-SG 3.49Å; C56-C66 WeakPolarHBondContact SG-CA 3.3Å; C56-C66 WeakPolarHBondContact SG-CB 3.15Å; C56-C66 CovalentContact SG-SG 2.03Å; C56-C66 PolarHBondContact SG-SG 3.1Å; Y60-C66 WeakPolarHBondContact O-CA 3.37Å |
| 67 | V | 95.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 88.6 Ų | 88.6 | 58% | 0.576 | 44% | 0.442 | S | S | * | . | trans | -114.2 | 0 | 177.1 | -93.8 | 0 | 0 | 0 | 0 | 109.3 | S46 S58 Y60 K62 V65 | S46-V67 WeakPolarHBondContact CB-OXT 3.02Å; S46-V67 PolarHBondContact OG-OXT 2.75Å; S58-V67 WeakPolarHBondContact CB-O 3Å; S58-V67 PolarHBondContact OG-O 2.84Å; Y60-V67 PolarHBondContact O-N 2.03Å; K62-V67 HydrophobicContact CB-CG2 3.64Å; V65-V67 PolarHBondContact O-N 2.75Å |
Retrieved 67 of 67 residues in 64.5 ms
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