| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.3 | Very low | 60.3 | Low | 246 Ų | 246 | 101.3 Ų | 101.3 | 100% | 1.212 | 70% | 0.697 | S | S | * | * | 0 | 103.5 | 0 | -63.5 | 173.8 | 176.9 | 0 | 0 | 106.8 | |||||
| 2 | S | 54.2 | Low | 62.2 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 120.6 | 169.7 | -87.1 | 0 | 0 | 0 | 0 | 107.5 | A4 | S2-A4 PolarHBondContact O-N 2.83Š|
| 3 | S | 58.4 | Low | 64.5 | Low | 55 Ų | 55 | 90.6 Ų | 90.6 | 39% | 0.385 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 125.7 | 166.3 | 34.8 | 0 | 0 | 0 | 0 | 108.4 | D32 | S3-D32 WeakPolarHBondContact OG-CB 3.06Å; S3-D32 PolarHBondContact OG-OD2 2.88Å |
| 4 | A | 60.7 | Low | 66.6 | Low | 89 Ų | 89 | 87.8 Ų | 87.8 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | S2 | S2-A4 PolarHBondContact O-N 2.83Š|
| 5 | P | 58.3 | Low | 68.5 | Low | 95 Ų | 95 | 82.1 Ų | 82.1 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.4 | 175.4 | 24.6 | -31.6 | 0 | 0 | 0 | 110.1 | ||
| 6 | A | 60 | Low | 70.3 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 137.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G8 S9 | A6-G8 PolarHBondContact O-N 3.37Å; A6-G8 VanDerWaalsContact O-N 3.09Å; A6-S9 PolarHBondContact O-N 3.45Å; A6-S9 VanDerWaalsContact O-N 3.14Å |
| 7 | P | 55.5 | Low | 71.9 | Confident | 142 Ų | 142 | 74.8 Ų | 74.8 | 92% | 0.922 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 117 | 178.4 | 23.4 | -30.7 | 0 | 0 | 0 | 109.7 | ||
| 8 | G | 63.1 | Low | 73.3 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 90% | 0.897 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.3 | -9.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A6 | A6-G8 PolarHBondContact O-N 3.37Å; A6-G8 VanDerWaalsContact O-N 3.09Å |
| 9 | S | 66.2 | Low | 74.6 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -84.5 | 130.7 | 170.4 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | A6 | A6-S9 PolarHBondContact O-N 3.45Å; A6-S9 VanDerWaalsContact O-N 3.14Å |
| 10 | A | 68.1 | Low | 75.7 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -57 | 146.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V12 N52 | A10-V12 PolarHBondContact O-N 3.32Å; A10-N52 WeakPolarHBondContact CB-OD1 3.42Å |
| 11 | P | 74.3 | Confident | 76.8 | Confident | 101 Ų | 101 | 78 Ų | 78 | 66% | 0.656 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -59 | 116.1 | 179.8 | 21.6 | -30.5 | 0 | 0 | 0 | 109.9 | C13 N52 | P11-C13 PolarHBondContact O-N 3.14Å; P11-N52 WeakPolarHBondContact O-CB 3.43Å; P11-N52 VanDerWaalsContact O-CG 3.31Å; P11-N52 PolarHBondContact O-OD1 2.98Å |
| 12 | V | 84.1 | Confident | 79.3 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 134.2 | 175.7 | -67.2 | 0 | 0 | 0 | 0 | 109.3 | A10 L30 | A10-V12 PolarHBondContact O-N 3.32Å; V12-L30 CarbonylContact O-C 3.54Å; V12-L30 VanDerWaalsContact O-CA 3.27Å; V12-L30 WeakPolarHBondContact O-CA 3.44Å |
| 13 | C | 91.4 | Very high | 81.3 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 8% | 0.081 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 114.1 | -178.3 | -165.8 | 0 | 0 | 0 | 0 | 109.8 | P11 R28 L29 L30 E51 N52 | P11-C13 PolarHBondContact O-N 3.14Å; C13-R28 VanDerWaalsContact SG-CZ 3.6Å; C13-R28 PolarHBondContact SG-NE 3.01Å; C13-R28 PolarHBondContact SG-NH2 2.9Å; C13-L29 WeakPolarHBondContact CA-O 3.11Å; C13-L30 HydrophobicContact CB-CD2 4.31Å; C13-L30 VanDerWaalsContact SG-CD2 3.56Å; C13-E51 HydrophobicContact CB-CB 4.1Å; C13-E51 WeakPolarHBondContact O-CA 3.18Å; C13-E51 WeakPolarHBondContact O-CB 3.25Å; C13-E51 PolarHBondContact O-N 3.43Å; C13-E51 PolarHBondContact SG-OE2 2.85Å; C13-N52 HydrophobicContact CB-CB 3.99Å; C13-N52 PolarHBondContact N-O 2.85Å; C13-N52 PolarHBondContact O-N 3.32Å |
| 14 | L | 94.3 | Very high | 83.1 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.1 | 174.8 | 67.9 | 92.4 | 0 | 0 | 0 | 110.7 | L16 L29 K49 V50 | L14-L16 HydrophobicContact CD1-CD1 4.47Å; L14-L16 HydrophobicContact CD1-CD2 3.47Å; L14-L16 VanDerWaalsContact CD1-CD2 3.47Å; L14-L16 HydrophobicContact CD1-CG 3.77Å; L14-L29 HydrophobicContact CD1-CB 4.11Å; L14-L29 HydrophobicContact CD1-CD1 3.96Å; L14-L29 HydrophobicContact CD1-CG 4.19Å; L14-L29 HydrophobicContact CG-CB 4.11Å; L14-L29 PolarHBondContact N-O 2.82Å; L14-L29 VanDerWaalsContact N-O 3.08Å; L14-L29 PolarHBondContact O-N 3.48Å; L14-K49 CarbonylContact C-O 3.53Å; L14-K49 VanDerWaalsContact CA-O 3.28Å; L14-K49 WeakPolarHBondContact CA-O 3.31Å; L14-V50 HydrophobicContact CB-CG2 4.43Å |
| 15 | T | 95.6 | Very high | 84.7 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.7 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | W17 R26 C27 V48 K49 | T15-W17 VanDerWaalsContact C-CZ3 3.46Å; T15-W17 HydrophobicContact CG2-CD2 4.04Å; T15-W17 HydrophobicContact CG2-CE3 3.86Å; T15-W17 HydrophobicContact CG2-CH2 3.26Å; T15-W17 HydrophobicContact CG2-CZ2 3.46Å; T15-W17 VanDerWaalsContact CG2-CZ2 3.46Å; T15-W17 HydrophobicContact CG2-CZ3 3.47Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.47Å; T15-W17 WeakPolarHBondContact O-CZ3 3.32Å; T15-R26 HydrophobicContact CG2-CB 3.93Å; T15-R26 HydrophobicContact CG2-CG 4.35Å; T15-C27 WeakPolarHBondContact CA-O 3.45Å; T15-V48 WeakPolarHBondContact O-CA 3.24Å; T15-K49 PolarHBondContact N-O 3.25Å; T15-K49 PolarHBondContact O-N 2.92Å |
| 16 | L | 96.6 | Very high | 86.5 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 9% | 0.089 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.6 | 177.2 | -53.6 | 176.9 | 0 | 0 | 0 | 108.9 | L14 R26 C27 L29 V36 L42 V45 V48 | L14-L16 HydrophobicContact CD1-CD1 4.47Å; L14-L16 HydrophobicContact CD1-CD2 3.47Å; L14-L16 VanDerWaalsContact CD1-CD2 3.47Å; L14-L16 HydrophobicContact CD1-CG 3.77Å; L16-R26 CarbonylContact O-C 3.4Å; L16-R26 WeakPolarHBondContact O-CA 3.24Å; L16-R26 WeakPolarHBondContact O-CB 3.5Å; L16-C27 PolarHBondContact N-O 3.35Å; L16-C27 PolarHBondContact O-N 3.04Å; L16-L29 HydrophobicContact CD1-CD1 3.85Å; L16-L29 HydrophobicContact CD1-CG 4.4Å; L16-L29 HydrophobicContact CG-CD1 4.48Å; L16-V36 HydrophobicContact CD1-CB 4.29Å; L16-V36 HydrophobicContact CD1-CG1 3.71Å; L16-L42 HydrophobicContact CB-CD1 3.65Å; L16-V45 HydrophobicContact CB-CG1 4.14Å; L16-V45 HydrophobicContact CB-CG2 4.16Å; L16-V45 HydrophobicContact CD1-CG2 4.24Å; L16-V45 HydrophobicContact CD2-CG1 4.2Å; L16-V48 HydrophobicContact CD2-CB 4.33Å; L16-V48 HydrophobicContact CD2-CG1 3.89Å; L16-V48 HydrophobicContact CD2-CG2 3.66Å |
| 17 | W | 97.3 | Very high | 88.1 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 9% | 0.087 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.2 | 175.4 | -73.4 | -100.1 | 0 | 0 | 0 | 112.1 | T15 F22 Q23 R25 R26 V45 R46 S47 K49 | T15-W17 VanDerWaalsContact C-CZ3 3.46Å; T15-W17 HydrophobicContact CG2-CD2 4.04Å; T15-W17 HydrophobicContact CG2-CE3 3.86Å; T15-W17 HydrophobicContact CG2-CH2 3.26Å; T15-W17 HydrophobicContact CG2-CZ2 3.46Å; T15-W17 VanDerWaalsContact CG2-CZ2 3.46Å; T15-W17 HydrophobicContact CG2-CZ3 3.47Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.47Å; T15-W17 WeakPolarHBondContact O-CZ3 3.32Å; W17-F22 VanDerWaalsContact CD1-C 3.43Å; W17-F22 HydrophobicContact CD2-CB 4.15Å; W17-F22 HydrophobicContact CD2-CD1 4.46Å; W17-F22 HydrophobicContact CE3-CB 4.46Å; W17-F22 AromaticContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CH2-CB 4.39Å; W17-F22 HydrophobicContact CH2-CD1 4.24Å; W17-F22 HydrophobicContact CZ2-CB 4.08Å; W17-F22 AromaticContact CZ3-CD1 3.84Å; W17-F22 HydrophobicContact CZ3-CD1 3.84Å; W17-F22 PolarHBondContact NE1-O 3.29Å; W17-Q23 WeakPolarHBondContact CB-O 3.49Å; W17-R25 VanDerWaalsContact CA-O 3.26Å; W17-R25 WeakPolarHBondContact CA-O 3.41Å; W17-R26 HydrophobicContact CD2-CB 4.19Å; W17-R26 HydrophobicContact CG-CB 4.03Å; W17-V45 CarbonylContact O-C 3.49Å; W17-V45 VanDerWaalsContact O-CA 3.3Å; W17-V45 WeakPolarHBondContact O-CA 3.46Å; W17-R46 PolarHBondContact O-N 3.01Å; W17-S47 WeakPolarHBondContact CB-OG 3.26Å; W17-S47 PolarHBondContact N-O 3.32Å; W17-S47 PolarHBondContact O-N 2.96Å; W17-K49 HydrophobicContact CH2-CB 3.6Å; W17-K49 HydrophobicContact CH2-CD 4.19Å; W17-K49 HydrophobicContact CZ3-CB 3.38Å |
| 18 | D | 96.8 | Very high | 89.9 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -82.5 | -11.3 | 175.1 | 66.8 | -11.9 | 0 | 0 | 0 | 114.6 | R25 L42 R44 R46 | D18-R25 PolarHBondContact N-O 2.94Å; D18-R25 PolarHBondContact OD1-N 3.49Å; D18-R25 IonicContact OD2-CZ 3.32Å; D18-R25 IonicContact OD2-NE 2.85Å; D18-R25 PolarHBondContact OD2-NE 2.72Å; D18-R25 IonicContact OD2-NH2 2.9Å; D18-R25 PolarHBondContact OD2-NH2 3.36Å; D18-L42 HydrophobicContact CB-CD2 3.93Å; D18-R44 VanDerWaalsContact CA-O 3.31Å; D18-R44 WeakPolarHBondContact CA-O 3.28Å; D18-R44 VanDerWaalsContact CB-O 3.32Å; D18-R44 WeakPolarHBondContact CB-O 3.5Å; D18-R46 VanDerWaalsContact O-CD 3.24Å; D18-R46 WeakPolarHBondContact O-CD 3.44Å; D18-R46 VanDerWaalsContact O-CG 3.24Å; D18-R46 WeakPolarHBondContact O-CG 3.3Å |
| 19 | E | 98 | Very high | 91.2 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -113.7 | 167.1 | 172.5 | -59.5 | -179.3 | -178.1 | 0 | 0 | 113 | Q23 R46 S47 | E19-Q23 HydrophobicContact CB-CB 4.1Å; E19-Q23 WeakPolarHBondContact CB-O 3.38Å; E19-R46 VanDerWaalsContact C-CB 3.41Å; E19-R46 WeakPolarHBondContact O-CB 3.44Å; E19-S47 WeakPolarHBondContact O-CB 3.49Å; E19-S47 PolarHBondContact O-N 3.03Å; E19-S47 PolarHBondContact O-OG 3.35Å |
| 20 | E | 97.8 | Very high | 92.4 | Very high | 113 Ų | 113 | 72 Ų | 72 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -72.8 | 167.4 | 174.9 | -70.1 | 164.5 | -153.4 | 0 | 0 | 110 | F22 Q23 R46 | E20-F22 PolarHBondContact O-N 3.37Å; E20-Q23 WeakPolarHBondContact O-CB 3.38Å; E20-Q23 PolarHBondContact O-N 3.04Å; E20-Q23 VanDerWaalsContact O-N 3.13Å; E20-R46 HydrophobicContact CG-CB 4.04Å; E20-R46 IonicContact OE1-NH1 3.32Å; E20-R46 PolarHBondContact OE1-NH1 3.37Å |
| 21 | D | 97.6 | Very high | 93.3 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 32.2 | 175.6 | -55.8 | -45.9 | 0 | 0 | 0 | 115.6 | Q23 | D21-Q23 VanDerWaalsContact C-N 3.26Å; D21-Q23 PolarHBondContact O-N 2.75Å; D21-Q23 PolarHBondContact O-NE2 2.83Å |
| 22 | F | 97.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 71.4 Ų | 71.4 | 46% | 0.456 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 32.3 | 178.9 | -39.7 | -70.3 | 0 | 0 | 0 | 113.9 | W17 E20 S47 V48 K49 | W17-F22 VanDerWaalsContact CD1-C 3.43Å; W17-F22 HydrophobicContact CD2-CB 4.15Å; W17-F22 HydrophobicContact CD2-CD1 4.46Å; W17-F22 HydrophobicContact CE3-CB 4.46Å; W17-F22 AromaticContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CH2-CB 4.39Å; W17-F22 HydrophobicContact CH2-CD1 4.24Å; W17-F22 HydrophobicContact CZ2-CB 4.08Å; W17-F22 AromaticContact CZ3-CD1 3.84Å; W17-F22 HydrophobicContact CZ3-CD1 3.84Å; W17-F22 PolarHBondContact NE1-O 3.29Å; E20-F22 PolarHBondContact O-N 3.37Å; F22-S47 WeakPolarHBondContact CA-OG 3.4Å; F22-S47 PolarHBondContact N-OG 3.48Å; F22-S47 VanDerWaalsContact N-OG 3.1Å; F22-V48 WeakPolarHBondContact CE1-O 3.41Å; F22-K49 HydrophobicContact CD1-CB 4.29Å; F22-K49 HydrophobicContact CE1-CB 4.16Å |
| 23 | Q | 96.9 | Very high | 94 | Very high | 116 Ų | 116 | 70.6 Ų | 70.6 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | trans | -101.3 | 173.4 | 177.8 | -60.1 | -57.1 | -49.3 | 0 | 0 | 112.6 | W17 E19 E20 D21 | W17-Q23 WeakPolarHBondContact CB-O 3.49Å; E19-Q23 HydrophobicContact CB-CB 4.1Å; E19-Q23 WeakPolarHBondContact CB-O 3.38Å; E20-Q23 WeakPolarHBondContact O-CB 3.38Å; E20-Q23 PolarHBondContact O-N 3.04Å; E20-Q23 VanDerWaalsContact O-N 3.13Å; D21-Q23 VanDerWaalsContact C-N 3.26Å; D21-Q23 PolarHBondContact O-N 2.75Å; D21-Q23 PolarHBondContact O-NE2 2.83Å | ||
| 24 | G | 95.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 75.6 Ų | 75.6 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 77 | -154.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 25 | R | 95.2 | Very high | 93.7 | Very high | 155 Ų | 155 | 76 Ų | 76 | 59% | 0.585 | 39% | 0.387 | S | S | * | . | trans | -74.5 | 143.8 | 179.4 | -70.9 | 179.2 | -69.2 | -161.6 | -7.5 | 109.9 | W17 D18 L42 | W17-R25 VanDerWaalsContact CA-O 3.26Å; W17-R25 WeakPolarHBondContact CA-O 3.41Å; D18-R25 PolarHBondContact N-O 2.94Å; D18-R25 PolarHBondContact OD1-N 3.49Å; D18-R25 IonicContact OD2-CZ 3.32Å; D18-R25 IonicContact OD2-NE 2.85Å; D18-R25 PolarHBondContact OD2-NE 2.72Å; D18-R25 IonicContact OD2-NH2 2.9Å; D18-R25 PolarHBondContact OD2-NH2 3.36Å; R25-L42 HydrophobicContact CB-CD2 3.97Å | ||
| 26 | R | 94.7 | Very high | 93.4 | Very high | 168 Ų | 168 | 77.9 Ų | 77.9 | 63% | 0.634 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 149.9 | -178.2 | 73 | -174.1 | -179.2 | 113.2 | -0.8 | 113.9 | T15 L16 W17 | T15-R26 HydrophobicContact CG2-CB 3.93Å; T15-R26 HydrophobicContact CG2-CG 4.35Å; L16-R26 CarbonylContact O-C 3.4Å; L16-R26 WeakPolarHBondContact O-CA 3.24Å; L16-R26 WeakPolarHBondContact O-CB 3.5Å; W17-R26 HydrophobicContact CD2-CB 4.19Å; W17-R26 HydrophobicContact CG-CB 4.03Å |
| 27 | C | 94.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 7% | 0.068 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.1 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | T15 L16 G40 L42 | T15-C27 WeakPolarHBondContact CA-O 3.45Å; L16-C27 PolarHBondContact N-O 3.35Å; L16-C27 PolarHBondContact O-N 3.04Å; C27-G40 WeakPolarHBondContact SG-CA 3.45Å; C27-L42 HydrophobicContact CB-CD1 3.5Å; C27-L42 HydrophobicContact CB-CG 4.12Å |
| 28 | R | 93.2 | Very high | 92.6 | Very high | 121 Ų | 121 | 86.7 Ų | 86.7 | 46% | 0.457 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.4 | 175.5 | -164 | -179.8 | -164.8 | -173.2 | 6.4 | 110 | C13 L30 R39 E51 | C13-R28 VanDerWaalsContact SG-CZ 3.6Å; C13-R28 PolarHBondContact SG-NE 3.01Å; C13-R28 PolarHBondContact SG-NH2 2.9Å; R28-L30 HydrophobicContact CG-CD2 4.27Å; R28-R39 PolarHBondContact O-NH1 2.79Å; R28-E51 IonicContact CZ-OE2 3.39Å; R28-E51 IonicContact NE-OE2 3.17Å; R28-E51 PolarHBondContact NE-OE2 2.61Å; R28-E51 IonicContact NH2-OE1 3.75Å; R28-E51 IonicContact NH2-OE2 2.8Å; R28-E51 PolarHBondContact NH2-OE2 2.8Å |
| 29 | L | 91.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 91.9 Ų | 91.9 | 8% | 0.084 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125 | 175.7 | -57.9 | -173.4 | 0 | 0 | 0 | 108.9 | C13 L14 L16 C33 V36 | C13-L29 WeakPolarHBondContact CA-O 3.11Å; L14-L29 HydrophobicContact CD1-CB 4.11Å; L14-L29 HydrophobicContact CD1-CD1 3.96Å; L14-L29 HydrophobicContact CD1-CG 4.19Å; L14-L29 HydrophobicContact CG-CB 4.11Å; L14-L29 PolarHBondContact N-O 2.82Å; L14-L29 VanDerWaalsContact N-O 3.08Å; L14-L29 PolarHBondContact O-N 3.48Å; L16-L29 HydrophobicContact CD1-CD1 3.85Å; L16-L29 HydrophobicContact CD1-CG 4.4Å; L16-L29 HydrophobicContact CG-CD1 4.48Å; L29-C33 HydrophobicContact CD1-CB 3.79Å; L29-C33 HydrophobicContact CD2-CB 3.74Å; L29-C33 HydrophobicContact CG-CB 4.39Å; L29-V36 HydrophobicContact CD1-CG1 4.26Å |
| 30 | L | 89.9 | Confident | 90.7 | Very high | 101 Ų | 101 | 88 Ų | 88 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -112.1 | -0.2 | 177.6 | -59.7 | 178.3 | 0 | 0 | 0 | 112 | V12 C13 R28 | V12-L30 CarbonylContact O-C 3.54Å; V12-L30 VanDerWaalsContact O-CA 3.27Å; V12-L30 WeakPolarHBondContact O-CA 3.44Å; C13-L30 HydrophobicContact CB-CD2 4.31Å; C13-L30 VanDerWaalsContact SG-CD2 3.56Å; R28-L30 HydrophobicContact CG-CD2 4.27Å |
| 31 | S | 87.1 | Confident | 89.8 | Confident | 30 Ų | 30 | 85.6 Ų | 85.6 | 21% | 0.21 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -164.7 | 173.3 | -178.5 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | C33 | S31-C33 PolarHBondContact O-N 2.89Š|
| 32 | D | 86.4 | Confident | 89.5 | Confident | 112 Ų | 112 | 79.6 Ų | 79.6 | 60% | 0.599 | 42% | 0.419 | S | S | * | . | trans | -55.7 | 138.6 | 179.6 | -57.4 | -25 | 0 | 0 | 0 | 111.8 | S3 | S3-D32 WeakPolarHBondContact OG-CB 3.06Å; S3-D32 PolarHBondContact OG-OD2 2.88Å | ||
| 33 | C | 87.8 | Confident | 89.3 | Confident | 34 Ų | 34 | 86 Ų | 86 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | trans | -129.2 | 104.9 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | L29 S31 N35 R39 | L29-C33 HydrophobicContact CD1-CB 3.79Å; L29-C33 HydrophobicContact CD2-CB 3.74Å; L29-C33 HydrophobicContact CG-CB 4.39Å; S31-C33 PolarHBondContact O-N 2.89Å; C33-N35 PolarHBondContact O-N 2.92Å; C33-N35 VanDerWaalsContact SG-C 3.53Å; C33-N35 PolarHBondContact SG-O 2.97Å; C33-N35 VanDerWaalsContact SG-O 3.35Å; C33-R39 VanDerWaalsContact SG-CD 3.53Å | ||
| 34 | A | 89.2 | Confident | 89.2 | Confident | 117 Ų | 117 | 88.5 Ų | 88.5 | 97% | 0.967 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -66.5 | -27.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 35 | N | 90.6 | Very high | 89.2 | Confident | 60 Ų | 60 | 88.9 Ų | 88.9 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | trans | -142.8 | 103.6 | 178.6 | -169.2 | -14.1 | 0 | 0 | 0 | 111.9 | C33 C37 E38 R39 | C33-N35 PolarHBondContact O-N 2.92Å; C33-N35 VanDerWaalsContact SG-C 3.53Å; C33-N35 PolarHBondContact SG-O 2.97Å; C33-N35 VanDerWaalsContact SG-O 3.35Å; N35-C37 VanDerWaalsContact C-N 3.29Å; N35-C37 PolarHBondContact O-N 3.34Å; N35-C37 VanDerWaalsContact OD1-CB 3.25Å; N35-C37 WeakPolarHBondContact OD1-CB 3.38Å; N35-C37 PolarHBondContact OD1-N 3.34Å; N35-E38 HydrophobicContact CB-CB 4.26Å; N35-E38 HydrophobicContact CB-CG 4.26Å; N35-E38 WeakPolarHBondContact ND2-CG 3.27Å; N35-E38 PolarHBondContact ND2-OE1 3.28Å; N35-E38 PolarHBondContact O-N 3.08Å; N35-E38 PolarHBondContact OD1-N 3.17Å; N35-R39 PolarHBondContact O-N 3.01Å | ||
| 36 | V | 89.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 87.5 Ų | 87.5 | 26% | 0.261 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70 | -24.3 | 178.8 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | L16 L29 G40 | L16-V36 HydrophobicContact CD1-CB 4.29Å; L16-V36 HydrophobicContact CD1-CG1 3.71Å; L29-V36 HydrophobicContact CD1-CG1 4.26Å; V36-G40 PolarHBondContact O-N 2.83Å |
| 37 | C | 89.2 | Confident | 89.5 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 176.1 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | N35 A41 L42 | N35-C37 VanDerWaalsContact C-N 3.29Å; N35-C37 PolarHBondContact O-N 3.34Å; N35-C37 VanDerWaalsContact OD1-CB 3.25Å; N35-C37 WeakPolarHBondContact OD1-CB 3.38Å; N35-C37 PolarHBondContact OD1-N 3.34Å; C37-A41 WeakPolarHBondContact O-CA 3.47Å; C37-A41 PolarHBondContact O-N 3.13Å; C37-A41 VanDerWaalsContact O-N 3.14Å; C37-L42 PolarHBondContact SG-O 3.1Å |
| 38 | E | 86.3 | Confident | 89.6 | Confident | 161 Ų | 161 | 83.2 Ų | 83.2 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -75 | -41.6 | 178.1 | -75.4 | 169.7 | -157.5 | 0 | 0 | 112 | N35 | N35-E38 HydrophobicContact CB-CB 4.26Å; N35-E38 HydrophobicContact CB-CG 4.26Å; N35-E38 WeakPolarHBondContact ND2-CG 3.27Å; N35-E38 PolarHBondContact ND2-OE1 3.28Å; N35-E38 PolarHBondContact O-N 3.08Å; N35-E38 PolarHBondContact OD1-N 3.17Å |
| 39 | R | 79.8 | Confident | 89.7 | Confident | 132 Ų | 132 | 82.6 Ų | 82.6 | 50% | 0.498 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -82.1 | -33.7 | -173.5 | -163.3 | 171.3 | -165.2 | -90.5 | 1.5 | 113.9 | R28 C33 N35 | R28-R39 PolarHBondContact O-NH1 2.79Å; C33-R39 VanDerWaalsContact SG-CD 3.53Å; N35-R39 PolarHBondContact O-N 3.01Å |
| 40 | G | 75.5 | Confident | 89.9 | Confident | 20 Ų | 20 | 86 Ų | 86 | 21% | 0.206 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -117.2 | -4.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C27 V36 L42 | C27-G40 WeakPolarHBondContact SG-CA 3.45Å; V36-G40 PolarHBondContact O-N 2.83Å; G40-L42 PolarHBondContact O-N 3.09Å |
| 41 | A | 79.2 | Confident | 90.1 | Very high | 63 Ų | 63 | 85.6 Ų | 85.6 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | trans | 52.8 | 19.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C37 R43 | C37-A41 WeakPolarHBondContact O-CA 3.47Å; C37-A41 PolarHBondContact O-N 3.13Å; C37-A41 VanDerWaalsContact O-N 3.14Å; A41-R43 PolarHBondContact O-N 3.14Å | ||
| 42 | L | 90.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.005 | 45% | 0.45 | C | S | . | . | trans | -83.2 | 104.6 | 178.4 | -61.6 | 179.8 | 0 | 0 | 0 | 108.4 | L16 D18 R25 C27 C37 G40 R44 V45 | L16-L42 HydrophobicContact CB-CD1 3.65Å; D18-L42 HydrophobicContact CB-CD2 3.93Å; R25-L42 HydrophobicContact CB-CD2 3.97Å; C27-L42 HydrophobicContact CB-CD1 3.5Å; C27-L42 HydrophobicContact CB-CG 4.12Å; C37-L42 PolarHBondContact SG-O 3.1Å; G40-L42 PolarHBondContact O-N 3.09Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-V45 HydrophobicContact CD1-CG2 4.42Å | ||
| 43 | R | 92.4 | Very high | 90.1 | Very high | 238 Ų | 238 | 84.1 Ų | 84.1 | 90% | 0.898 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -73.6 | -23.1 | 174.7 | -67.9 | -170.3 | 175.8 | -160.5 | -0.9 | 113 | A41 | A41-R43 PolarHBondContact O-N 3.14Š|
| 44 | R | 94.9 | Very high | 89.3 | Confident | 169 Ų | 169 | 90.9 Ų | 90.9 | 64% | 0.638 | 50% | 0.501 | S | S | * | . | trans | -147.9 | 143 | 178.8 | -167.4 | 169 | -175.7 | 164.4 | 0.8 | 108.2 | D18 L42 | D18-R44 VanDerWaalsContact CA-O 3.31Å; D18-R44 WeakPolarHBondContact CA-O 3.28Å; D18-R44 VanDerWaalsContact CB-O 3.32Å; D18-R44 WeakPolarHBondContact CB-O 3.5Å; L42-R44 VanDerWaalsContact C-N 3.28Å | ||
| 45 | V | 96.1 | Very high | 89.3 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 32% | 0.321 | 48% | 0.478 | S | S | . | . | trans | -109.9 | 132.2 | 172 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | L16 W17 L42 V48 | L16-V45 HydrophobicContact CB-CG1 4.14Å; L16-V45 HydrophobicContact CB-CG2 4.16Å; L16-V45 HydrophobicContact CD1-CG2 4.24Å; L16-V45 HydrophobicContact CD2-CG1 4.2Å; W17-V45 CarbonylContact O-C 3.49Å; W17-V45 VanDerWaalsContact O-CA 3.3Å; W17-V45 WeakPolarHBondContact O-CA 3.46Å; L42-V45 HydrophobicContact CD1-CG2 4.42Å; V45-V48 HydrophobicContact CG1-CG2 3.66Å | ||
| 46 | R | 97.8 | Very high | 89.2 | Confident | 126 Ų | 126 | 91.1 Ų | 91.1 | 48% | 0.475 | 49% | 0.486 | S | S | . | . | trans | -121.4 | -21.4 | -179.7 | -71.8 | -166.1 | -169.3 | -124.1 | 6.4 | 113.8 | W17 D18 E19 E20 | W17-R46 PolarHBondContact O-N 3.01Å; D18-R46 VanDerWaalsContact O-CD 3.24Å; D18-R46 WeakPolarHBondContact O-CD 3.44Å; D18-R46 VanDerWaalsContact O-CG 3.24Å; D18-R46 WeakPolarHBondContact O-CG 3.3Å; E19-R46 VanDerWaalsContact C-CB 3.41Å; E19-R46 WeakPolarHBondContact O-CB 3.44Å; E20-R46 HydrophobicContact CG-CB 4.04Å; E20-R46 IonicContact OE1-NH1 3.32Å; E20-R46 PolarHBondContact OE1-NH1 3.37Å | ||
| 47 | S | 98 | Very high | 89.2 | Confident | 14 Ų | 14 | 93.8 Ų | 93.8 | 10% | 0.098 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 152.1 | 170.1 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | W17 E19 F22 | W17-S47 WeakPolarHBondContact CB-OG 3.26Å; W17-S47 PolarHBondContact N-O 3.32Å; W17-S47 PolarHBondContact O-N 2.96Å; E19-S47 WeakPolarHBondContact O-CB 3.49Å; E19-S47 PolarHBondContact O-N 3.03Å; E19-S47 PolarHBondContact O-OG 3.35Å; F22-S47 WeakPolarHBondContact CA-OG 3.4Å; F22-S47 PolarHBondContact N-OG 3.48Å; F22-S47 VanDerWaalsContact N-OG 3.1Å |
| 48 | V | 96.7 | Very high | 89.2 | Confident | 73 Ų | 73 | 95.6 Ų | 95.6 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.1 | -175.4 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | T15 L16 F22 V45 V50 | T15-V48 WeakPolarHBondContact O-CA 3.24Å; L16-V48 HydrophobicContact CD2-CB 4.33Å; L16-V48 HydrophobicContact CD2-CG1 3.89Å; L16-V48 HydrophobicContact CD2-CG2 3.66Å; F22-V48 WeakPolarHBondContact CE1-O 3.41Å; V45-V48 HydrophobicContact CG1-CG2 3.66Å; V48-V50 HydrophobicContact CG1-CG2 4.49Å |
| 49 | K | 96.4 | Very high | 89.4 | Confident | 108 Ų | 108 | 91.5 Ų | 91.5 | 47% | 0.47 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.9 | 172.9 | -172.4 | 179.2 | -179.4 | 179.1 | 0 | 109 | L14 T15 W17 F22 | L14-K49 CarbonylContact C-O 3.53Å; L14-K49 VanDerWaalsContact CA-O 3.28Å; L14-K49 WeakPolarHBondContact CA-O 3.31Å; T15-K49 PolarHBondContact N-O 3.25Å; T15-K49 PolarHBondContact O-N 2.92Å; W17-K49 HydrophobicContact CH2-CB 3.6Å; W17-K49 HydrophobicContact CH2-CD 4.19Å; W17-K49 HydrophobicContact CZ3-CB 3.38Å; F22-K49 HydrophobicContact CD1-CB 4.29Å; F22-K49 HydrophobicContact CE1-CB 4.16Å |
| 50 | V | 95.3 | Very high | 90 | Very high | 87 Ų | 87 | 88.8 Ų | 88.8 | 53% | 0.527 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.4 | 171.1 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | L14 V48 | L14-V50 HydrophobicContact CB-CG2 4.43Å; V48-V50 HydrophobicContact CG1-CG2 4.49Å |
| 51 | E | 93.9 | Very high | 91.1 | Very high | 93 Ų | 93 | 93.7 Ų | 93.7 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -35.2 | 176.4 | -59 | -177 | 113 | 0 | 0 | 111.1 | C13 R28 | C13-E51 HydrophobicContact CB-CB 4.1Å; C13-E51 WeakPolarHBondContact O-CA 3.18Å; C13-E51 WeakPolarHBondContact O-CB 3.25Å; C13-E51 PolarHBondContact O-N 3.43Å; C13-E51 PolarHBondContact SG-OE2 2.85Å; R28-E51 IonicContact CZ-OE2 3.39Å; R28-E51 IonicContact NE-OE2 3.17Å; R28-E51 PolarHBondContact NE-OE2 2.61Å; R28-E51 IonicContact NH2-OE1 3.75Å; R28-E51 IonicContact NH2-OE2 2.8Å; R28-E51 PolarHBondContact NH2-OE2 2.8Å |
| 52 | N | 89.5 | Confident | 92 | Very high | 69 Ų | 69 | 96.1 Ų | 96.1 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 142.7 | 177.9 | -165.7 | -50.5 | 0 | 0 | 0 | 110 | A10 P11 C13 | A10-N52 WeakPolarHBondContact CB-OD1 3.42Å; P11-N52 WeakPolarHBondContact O-CB 3.43Å; P11-N52 VanDerWaalsContact O-CG 3.31Å; P11-N52 PolarHBondContact O-OD1 2.98Å; C13-N52 HydrophobicContact CB-CB 3.99Å; C13-N52 PolarHBondContact N-O 2.85Å; C13-N52 PolarHBondContact O-N 3.32Å |
| 53 | G | 83.6 | Confident | 92.1 | Very high | 42 Ų | 42 | 104 Ų | 104 | 43% | 0.433 | 55% | 0.547 | S | S | . | . | trans | 110.9 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 54 | A | 70.4 | Confident | 92.1 | Very high | 176 Ų | 176 | 91.8 Ų | 91.8 | 100% | 1.455 | 52% | 0.515 | S | S | * | . | trans | -129.6 | 0 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 54 of 54 residues in 257.3 ms
(Link to these results)