| 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 | 50 | Low | 71.4 | Confident | 223 Ų | 223 | 96.6 Ų | 96.6 | 100% | 1.099 | 50% | 0.499 | S | S | * | . | 0 | 127.3 | 0 | -82.4 | -173.6 | 168.2 | 0 | 0 | 106.4 | S3 | M1-S3 PolarHBondContact O-N 2.77Š| |||
| 2 | D | 57.9 | Low | 71.9 | Confident | 109 Ų | 109 | 94.2 Ų | 94.2 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | trans | -70.5 | 112.6 | -178.9 | -170.3 | -8.5 | 0 | 0 | 0 | 108.5 | C4 Y5 | D2-C4 PolarHBondContact O-N 3.21Å; D2-C4 PolarHBondContact OD1-N 3.08Å; D2-Y5 WeakPolarHBondContact O-CB 3.46Å; D2-Y5 PolarHBondContact O-N 3.26Å | ||
| 3 | S | 67.8 | Low | 72.8 | Confident | 26 Ų | 26 | 88.3 Ų | 88.3 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15 | -173.8 | -44.3 | 0 | 0 | 0 | 0 | 112.6 | M1 S17 | M1-S3 PolarHBondContact O-N 2.77Å; S3-S17 WeakPolarHBondContact CB-OG 3.22Å; S3-S17 PolarHBondContact OG-OG 2.71Å |
| 4 | C | 75.3 | Confident | 73.7 | Confident | 30 Ų | 30 | 88.6 Ų | 88.6 | 20% | 0.203 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.1 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 114.4 | D2 N6 S7 C15 | D2-C4 PolarHBondContact O-N 3.21Å; D2-C4 PolarHBondContact OD1-N 3.08Å; C4-N6 PolarHBondContact O-N 2.93Å; C4-S7 PolarHBondContact O-N 3.06Å; C4-C15 VanDerWaalsContact CA-SG 3.51Å; C4-C15 HydrophobicContact CB-CB 3.84Å; C4-C15 WeakPolarHBondContact CB-SG 3.13Å; C4-C15 VanDerWaalsContact SG-C 3.5Å; C4-C15 WeakPolarHBondContact SG-CB 3.37Å; C4-C15 CovalentContact SG-SG 2.05Å; C4-C15 PolarHBondContact SG-SG 3.08Å |
| 5 | Y | 70.6 | Confident | 74.6 | Confident | 208 Ų | 208 | 84.6 Ų | 84.6 | 82% | 0.816 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.4 | -177 | -167.8 | -103.4 | 0 | 0 | 0 | 114 | D2 | D2-Y5 WeakPolarHBondContact O-CB 3.46Å; D2-Y5 PolarHBondContact O-N 3.26Å |
| 6 | N | 65.8 | Low | 75.1 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 80% | 0.802 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145 | 46.3 | 174.4 | -155.9 | 22.6 | 0 | 0 | 0 | 111.2 | C4 | C4-N6 PolarHBondContact O-N 2.93Š|
| 7 | S | 65.7 | Low | 75.4 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | trans | -65.8 | 136.2 | -175.6 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | C4 C9 C15 | C4-S7 PolarHBondContact O-N 3.06Å; S7-C9 VanDerWaalsContact C-N 3.32Å; S7-C15 VanDerWaalsContact CB-SG 3.59Å | ||
| 8 | T | 80.1 | Confident | 75.4 | Confident | 74 Ų | 74 | 83.4 Ų | 83.4 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | trans | -93.9 | 16.6 | 174.8 | 44 | 0 | 0 | 0 | 0 | 112.9 | Q10 Y23 L35 | T8-Q10 WeakPolarHBondContact O-CG 3.45Å; T8-Q10 PolarHBondContact O-N 2.87Å; T8-Y23 PolarHBondContact OG1-OH 3.23Å; T8-L35 VanDerWaalsContact OG1-CD2 3.32Å; T8-L35 WeakPolarHBondContact OG1-CD2 3.12Å | ||
| 9 | C | 85.8 | Confident | 74.8 | Confident | 25 Ų | 25 | 81.1 Ų | 81.1 | 17% | 0.169 | 47% | 0.467 | C | S | . | . | trans | -61.8 | 128.4 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | S7 A13 C25 | S7-C9 VanDerWaalsContact C-N 3.32Å; C9-A13 HydrophobicContact CB-CB 3.93Å; C9-C25 WeakPolarHBondContact CA-SG 3.36Å; C9-C25 HydrophobicContact CB-CB 3.87Å; C9-C25 WeakPolarHBondContact CB-SG 3Å; C9-C25 WeakPolarHBondContact SG-CB 3.35Å; C9-C25 CovalentContact SG-SG 2.04Å; C9-C25 PolarHBondContact SG-SG 3.25Å | ||
| 10 | Q | 83.8 | Confident | 74.3 | Confident | 92 Ų | 92 | 85.5 Ų | 85.5 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | trans | -102.3 | 169.6 | -175.9 | -56.4 | -173.2 | 2.3 | 0 | 0 | 111.3 | T8 G12 A13 L35 | T8-Q10 WeakPolarHBondContact O-CG 3.45Å; T8-Q10 PolarHBondContact O-N 2.87Å; Q10-G12 VanDerWaalsContact C-N 3.25Å; Q10-G12 PolarHBondContact O-N 3.21Å; Q10-G12 VanDerWaalsContact O-N 3.08Å; Q10-A13 VanDerWaalsContact O-CB 3.26Å; Q10-A13 WeakPolarHBondContact O-CB 3.25Å; Q10-A13 PolarHBondContact O-N 3.29Å; Q10-A13 VanDerWaalsContact O-N 3.08Å; Q10-L35 WeakPolarHBondContact CB-O 3.22Å; Q10-L35 PolarHBondContact N-O 3.42Å | ||
| 11 | N | 82.6 | Confident | 73.9 | Confident | 75 Ų | 75 | 87.9 Ų | 87.9 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 30.8 | 168.2 | -61.1 | -47.3 | 0 | 0 | 0 | 115.9 | P28 F31 C36 | N11-P28 WeakPolarHBondContact O-CG 3.24Å; N11-F31 HydrophobicContact CB-CD1 3.54Å; N11-F31 HydrophobicContact CB-CD2 4Å; N11-F31 HydrophobicContact CB-CE1 3.51Å; N11-F31 HydrophobicContact CB-CE2 3.97Å; N11-F31 HydrophobicContact CB-CG 3.78Å; N11-F31 HydrophobicContact CB-CZ 3.73Å; N11-F31 VanDerWaalsContact ND2-CD1 3.33Å; N11-F31 WeakPolarHBondContact ND2-CD1 3.25Å; N11-F31 WeakPolarHBondContact ND2-CE1 3.24Å; N11-C36 PolarHBondContact ND2-O 3.44Å |
| 12 | G | 77.9 | Confident | 75.1 | Confident | 67 Ų | 67 | 79.7 Ų | 79.7 | 69% | 0.691 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 18.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q10 | Q10-G12 VanDerWaalsContact C-N 3.25Å; Q10-G12 PolarHBondContact O-N 3.21Å; Q10-G12 VanDerWaalsContact O-N 3.08Å |
| 13 | A | 83 | Confident | 76.3 | Confident | 18 Ų | 18 | 78.7 Ų | 78.7 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 146.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C9 Q10 C25 V26 C36 | C9-A13 HydrophobicContact CB-CB 3.93Å; Q10-A13 VanDerWaalsContact O-CB 3.26Å; Q10-A13 WeakPolarHBondContact O-CB 3.25Å; Q10-A13 PolarHBondContact O-N 3.29Å; Q10-A13 VanDerWaalsContact O-N 3.08Å; A13-C25 HydrophobicContact CB-CB 4.31Å; A13-V26 VanDerWaalsContact CA-O 3.26Å; A13-V26 WeakPolarHBondContact CA-O 3.34Å; A13-V26 VanDerWaalsContact CB-O 3.32Å; A13-V26 WeakPolarHBondContact CB-O 3.46Å; A13-C36 HydrophobicContact CB-CB 3.73Å; A13-C36 WeakPolarHBondContact CB-SG 3.49Å |
| 14 | T | 85.7 | Confident | 77.1 | Confident | 92 Ų | 92 | 83 Ų | 83 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.5 | -178.6 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | V26 | T14-V26 PolarHBondContact N-O 2.78Å; T14-V26 PolarHBondContact O-N 3.43Å |
| 15 | C | 87.1 | Confident | 77.7 | Confident | 29 Ų | 29 | 82.2 Ų | 82.2 | 20% | 0.196 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 128.3 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | C4 S7 | C4-C15 VanDerWaalsContact CA-SG 3.51Å; C4-C15 HydrophobicContact CB-CB 3.84Å; C4-C15 WeakPolarHBondContact CB-SG 3.13Å; C4-C15 VanDerWaalsContact SG-C 3.5Å; C4-C15 WeakPolarHBondContact SG-CB 3.37Å; C4-C15 CovalentContact SG-SG 2.05Å; C4-C15 PolarHBondContact SG-SG 3.08Å; S7-C15 VanDerWaalsContact CB-SG 3.59Å |
| 16 | M | 82.6 | Confident | 78.4 | Confident | 94 Ų | 94 | 75.5 Ų | 75.5 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128 | 172.4 | -62 | -164 | -53.3 | 0 | 0 | 110.2 | Y23 E24 V26 | M16-Y23 CarbonylContact O-C 3.39Å; M16-Y23 VanDerWaalsContact O-CA 3.26Å; M16-Y23 WeakPolarHBondContact O-CA 3.34Å; M16-E24 PolarHBondContact N-O 2.81Å; M16-E24 PolarHBondContact O-N 2.02Å; M16-V26 HydrophobicContact CE-CG2 3.37Å; M16-V26 HydrophobicContact CG-CG2 3.97Å; M16-V26 HydrophobicContact SD-CG2 3.81Å |
| 17 | S | 79.5 | Confident | 79.2 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | S3 S22 | S3-S17 WeakPolarHBondContact CB-OG 3.22Å; S3-S17 PolarHBondContact OG-OG 2.71Å; S17-S22 PolarHBondContact OG-O 3.43Å |
| 18 | T | 75.7 | Confident | 79.7 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 11.4 | -178.5 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | S22 E24 | T18-S22 PolarHBondContact N-O 3.18Å; T18-S22 WeakPolarHBondContact OG1-CB 3.34Å; T18-S22 PolarHBondContact OG1-O 2.03Å; T18-S22 PolarHBondContact OG1-OG 3.25Å; T18-E24 HydrophobicContact CG2-CB 4.02Å |
| 19 | G | 64 | Low | 79.1 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 40% | 0.402 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.2 | 169.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N21 S22 | G19-N21 PolarHBondContact O-N 2.74Å; G19-S22 PolarHBondContact O-N 3.12Å; G19-S22 PolarHBondContact O-OG 2.79Å |
| 20 | N | 65.6 | Low | 78.1 | Confident | 169 Ų | 169 | 71.9 Ų | 71.9 | 90% | 0.904 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.3 | 178.8 | -73.7 | -8.1 | 0 | 0 | 0 | 116.9 | S22 | N20-S22 PolarHBondContact O-N 3.2Å; N20-S22 VanDerWaalsContact O-N 3.1Å |
| 21 | N | 66.1 | Low | 77.8 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 72% | 0.722 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 18.5 | -178 | -68.2 | -16.4 | 0 | 0 | 0 | 114.5 | G19 | G19-N21 PolarHBondContact O-N 2.74Š|
| 22 | S | 75.5 | Confident | 77.4 | Confident | 52 Ų | 52 | 69 Ų | 69 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 153.9 | 172.8 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | S17 T18 G19 N20 | S17-S22 PolarHBondContact OG-O 3.43Å; T18-S22 PolarHBondContact N-O 3.18Å; T18-S22 WeakPolarHBondContact OG1-CB 3.34Å; T18-S22 PolarHBondContact OG1-O 2.03Å; T18-S22 PolarHBondContact OG1-OG 3.25Å; G19-S22 PolarHBondContact O-N 3.12Å; G19-S22 PolarHBondContact O-OG 2.79Å; N20-S22 PolarHBondContact O-N 3.2Å; N20-S22 VanDerWaalsContact O-N 3.1Å |
| 23 | Y | 82.3 | Confident | 77.3 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.6 | 175.6 | 70.3 | -88.8 | 0 | 0 | 0 | 110.4 | T8 M16 L35 | T8-Y23 PolarHBondContact OG1-OH 3.23Å; M16-Y23 CarbonylContact O-C 3.39Å; M16-Y23 VanDerWaalsContact O-CA 3.26Å; M16-Y23 WeakPolarHBondContact O-CA 3.34Å; Y23-L35 HydrophobicContact CE2-CD2 4.24Å |
| 24 | E | 84.1 | Confident | 77.2 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.6 | 175.1 | -172.5 | 175.4 | -175.4 | 0 | 0 | 109.1 | M16 T18 | M16-E24 PolarHBondContact N-O 2.81Å; M16-E24 PolarHBondContact O-N 2.02Å; T18-E24 HydrophobicContact CG2-CB 4.02Å |
| 25 | C | 87.4 | Confident | 77.2 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.9 | 178.7 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | C9 A13 H34 | C9-C25 WeakPolarHBondContact CA-SG 3.36Å; C9-C25 HydrophobicContact CB-CB 3.87Å; C9-C25 WeakPolarHBondContact CB-SG 3Å; C9-C25 WeakPolarHBondContact SG-CB 3.35Å; C9-C25 CovalentContact SG-SG 2.04Å; C9-C25 PolarHBondContact SG-SG 3.25Å; A13-C25 HydrophobicContact CB-CB 4.31Å; C25-H34 WeakPolarHBondContact CB-O 3.47Å |
| 26 | V | 86.1 | Confident | 77.1 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | A13 T14 M16 | A13-V26 VanDerWaalsContact CA-O 3.26Å; A13-V26 WeakPolarHBondContact CA-O 3.34Å; A13-V26 VanDerWaalsContact CB-O 3.32Å; A13-V26 WeakPolarHBondContact CB-O 3.46Å; T14-V26 PolarHBondContact N-O 2.78Å; T14-V26 PolarHBondContact O-N 3.43Å; M16-V26 HydrophobicContact CE-CG2 3.37Å; M16-V26 HydrophobicContact CG-CG2 3.97Å; M16-V26 HydrophobicContact SD-CG2 3.81Å |
| 27 | C | 81.7 | Confident | 77.2 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 29% | 0.291 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 135.2 | -175.9 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | F31 G33 C36 | C27-F31 HydrophobicContact CB-CB 4.4Å; C27-F31 WeakPolarHBondContact CB-O 3.43Å; C27-G33 PolarHBondContact SG-O 2.86Å; C27-C36 WeakPolarHBondContact CA-SG 3.16Å; C27-C36 HydrophobicContact CB-CB 3.67Å; C27-C36 WeakPolarHBondContact CB-SG 3.22Å; C27-C36 PolarHBondContact N-SG 3.46Å; C27-C36 VanDerWaalsContact N-SG 3.41Å; C27-C36 WeakPolarHBondContact SG-CA 3.02Å; C27-C36 WeakPolarHBondContact SG-CB 3.45Å; C27-C36 CovalentContact SG-SG 2.02Å; C27-C36 PolarHBondContact SG-SG 2.84Å |
| 28 | P | 77.4 | Confident | 77.1 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 31% | 0.305 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 159 | 170.2 | 27.8 | -27.5 | 0 | 0 | 0 | 110.5 | N11 G30 F31 | N11-P28 WeakPolarHBondContact O-CG 3.24Å; P28-G30 PolarHBondContact O-N 3.41Å; P28-F31 HydrophobicContact CG-CD2 4.11Å; P28-F31 PolarHBondContact O-N 2.08Å |
| 29 | S | 68.3 | Low | 76.9 | Confident | 103 Ų | 103 | 76 Ų | 76 | 72% | 0.72 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 125.8 | -179.3 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 30 | G | 64.4 | Low | 76.9 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | 0.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P28 R39 I40 | P28-G30 PolarHBondContact O-N 3.41Å; G30-R39 CarbonylContact O-C 3.57Å; G30-R39 WeakPolarHBondContact O-CA 3.44Å; G30-I40 PolarHBondContact O-N 2.95Å |
| 31 | F | 77.6 | Confident | 76.5 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 21% | 0.211 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.6 | 175.5 | -61.1 | -88.5 | 0 | 0 | 0 | 112.2 | N11 C27 P28 C36 R38 R39 | N11-F31 HydrophobicContact CB-CD1 3.54Å; N11-F31 HydrophobicContact CB-CD2 4Å; N11-F31 HydrophobicContact CB-CE1 3.51Å; N11-F31 HydrophobicContact CB-CE2 3.97Å; N11-F31 HydrophobicContact CB-CG 3.78Å; N11-F31 HydrophobicContact CB-CZ 3.73Å; N11-F31 VanDerWaalsContact ND2-CD1 3.33Å; N11-F31 WeakPolarHBondContact ND2-CD1 3.25Å; N11-F31 WeakPolarHBondContact ND2-CE1 3.24Å; C27-F31 HydrophobicContact CB-CB 4.4Å; C27-F31 WeakPolarHBondContact CB-O 3.43Å; P28-F31 HydrophobicContact CG-CD2 4.11Å; P28-F31 PolarHBondContact O-N 2.08Å; F31-C36 HydrophobicContact CB-CB 4.26Å; F31-R38 CarbonylContact C-O 3.42Å; F31-R38 WeakPolarHBondContact CA-O 3.48Å; F31-R39 HydrophobicContact CD1-CB 4.37Å; F31-R39 HydrophobicContact CD1-CG 4.44Å; F31-R39 HydrophobicContact CE1-CB 4.3Å; F31-R39 HydrophobicContact CE1-CG 4.14Å |
| 32 | I | 73.7 | Confident | 76.1 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 168.9 | 176.4 | 59.8 | 166.5 | 0 | 0 | 0 | 109.8 | C36 E37 R38 I40 A61 | I32-C36 CarbonylContact O-C 3.36Å; I32-E37 PolarHBondContact O-N 3.49Å; I32-R38 HydrophobicContact CG1-CB 3.8Å; I32-R38 PolarHBondContact N-O 3.29Å; I32-R38 WeakPolarHBondContact O-CB 3.02Å; I32-R38 PolarHBondContact O-N 3.48Å; I32-I40 HydrophobicContact CG1-CG1 4.44Å; I32-I40 HydrophobicContact CG2-CD1 3.83Å; I32-I40 HydrophobicContact CG2-CG1 3.65Å; I32-A61 HydrophobicContact CG2-CB 4.49Å |
| 33 | G | 75 | Confident | 75.5 | Confident | 33 Ų | 33 | 71.1 Ų | 71.1 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 106.7 | 158.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | C27 L35 C36 | C27-G33 PolarHBondContact SG-O 2.86Å; G33-L35 PolarHBondContact O-N 2.86Å; G33-C36 PolarHBondContact O-N 3.23Å |
| 34 | H | 81.2 | Confident | 74.7 | Confident | 141 Ų | 141 | 69 Ų | 69 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.6 | -175.3 | 74.2 | -51.9 | 0 | 0 | 0 | 114 | C25 E37 | C25-H34 WeakPolarHBondContact CB-O 3.47Å; H34-E37 IonicContact CE1-OE1 2.66Å; H34-E37 PolarHBondContact N-OE2 3.43Å; H34-E37 IonicContact ND1-OE1 3.91Å; H34-E37 PolarHBondContact ND1-OE1 3.17Å; H34-E37 IonicContact ND1-OE2 3.58Å |
| 35 | L | 85.8 | Confident | 73.5 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 12.3 | 174 | -61.4 | 174.4 | 0 | 0 | 0 | 111.2 | T8 Q10 Y23 G33 E37 | T8-L35 VanDerWaalsContact OG1-CD2 3.32Å; T8-L35 WeakPolarHBondContact OG1-CD2 3.12Å; Q10-L35 WeakPolarHBondContact CB-O 3.22Å; Q10-L35 PolarHBondContact N-O 3.42Å; Y23-L35 HydrophobicContact CE2-CD2 4.24Å; G33-L35 PolarHBondContact O-N 2.86Å; L35-E37 VanDerWaalsContact C-OE2 3.23Å; L35-E37 VanDerWaalsContact CA-OE2 3.3Å; L35-E37 WeakPolarHBondContact CA-OE2 3.26Å; L35-E37 WeakPolarHBondContact CB-OE2 3Å; L35-E37 PolarHBondContact N-OE2 3.39Å; L35-E37 PolarHBondContact O-N 3.27Å |
| 36 | C | 85.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 60.5 | 31.2 | -176.2 | -47.4 | 0 | 0 | 0 | 0 | 113.8 | N11 A13 C27 F31 I32 G33 | N11-C36 PolarHBondContact ND2-O 3.44Å; A13-C36 HydrophobicContact CB-CB 3.73Å; A13-C36 WeakPolarHBondContact CB-SG 3.49Å; C27-C36 WeakPolarHBondContact CA-SG 3.16Å; C27-C36 HydrophobicContact CB-CB 3.67Å; C27-C36 WeakPolarHBondContact CB-SG 3.22Å; C27-C36 PolarHBondContact N-SG 3.46Å; C27-C36 VanDerWaalsContact N-SG 3.41Å; C27-C36 WeakPolarHBondContact SG-CA 3.02Å; C27-C36 WeakPolarHBondContact SG-CB 3.45Å; C27-C36 CovalentContact SG-SG 2.02Å; C27-C36 PolarHBondContact SG-SG 2.84Å; F31-C36 HydrophobicContact CB-CB 4.26Å; I32-C36 CarbonylContact O-C 3.36Å; G33-C36 PolarHBondContact O-N 3.23Å |
| 37 | E | 84.8 | Confident | 70.7 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | trans | -78.8 | -18.8 | -172.5 | 68.3 | -79.3 | -169.8 | 0 | 0 | 114.2 | I32 H34 L35 | I32-E37 PolarHBondContact O-N 3.49Å; H34-E37 IonicContact CE1-OE1 2.66Å; H34-E37 PolarHBondContact N-OE2 3.43Å; H34-E37 IonicContact ND1-OE1 3.91Å; H34-E37 PolarHBondContact ND1-OE1 3.17Å; H34-E37 IonicContact ND1-OE2 3.58Å; L35-E37 VanDerWaalsContact C-OE2 3.23Å; L35-E37 VanDerWaalsContact CA-OE2 3.3Å; L35-E37 WeakPolarHBondContact CA-OE2 3.26Å; L35-E37 WeakPolarHBondContact CB-OE2 3Å; L35-E37 PolarHBondContact N-OE2 3.39Å; L35-E37 PolarHBondContact O-N 3.27Å | ||
| 38 | R | 77.9 | Confident | 69.9 | Low | 140 Ų | 140 | 78.9 Ų | 78.9 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.2 | -177.1 | -69.6 | 177.7 | 72 | -175 | 1.6 | 110.9 | F31 I32 | F31-R38 CarbonylContact C-O 3.42Å; F31-R38 WeakPolarHBondContact CA-O 3.48Å; I32-R38 HydrophobicContact CG1-CB 3.8Å; I32-R38 PolarHBondContact N-O 3.29Å; I32-R38 WeakPolarHBondContact O-CB 3.02Å; I32-R38 PolarHBondContact O-N 3.48Å |
| 39 | R | 70.8 | Confident | 69.2 | Low | 175 Ų | 175 | 77.2 Ų | 77.2 | 66% | 0.66 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 139.8 | 172.1 | -158 | -178.8 | -139.5 | -142.5 | 4.4 | 110 | G30 F31 T41 | G30-R39 CarbonylContact O-C 3.57Å; G30-R39 WeakPolarHBondContact O-CA 3.44Å; F31-R39 HydrophobicContact CD1-CB 4.37Å; F31-R39 HydrophobicContact CD1-CG 4.44Å; F31-R39 HydrophobicContact CE1-CB 4.3Å; F31-R39 HydrophobicContact CE1-CG 4.14Å; R39-T41 VanDerWaalsContact C-N 3.29Å; R39-T41 HydrophobicContact CB-CG2 3.9Å; R39-T41 HydrophobicContact CG-CG2 3.93Å; R39-T41 PolarHBondContact O-N 2.92Å; R39-T41 PolarHBondContact O-OG1 2.79Å |
| 40 | I | 64.6 | Low | 68.6 | Low | 50 Ų | 50 | 75.7 Ų | 75.7 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | trans | -72.4 | 87 | 172.2 | -57.6 | 174.1 | 0 | 0 | 0 | 107.5 | G30 I32 V43 | G30-I40 PolarHBondContact O-N 2.95Å; I32-I40 HydrophobicContact CG1-CG1 4.44Å; I32-I40 HydrophobicContact CG2-CD1 3.83Å; I32-I40 HydrophobicContact CG2-CG1 3.65Å; I40-V43 HydrophobicContact CG2-CG2 4.26Å | ||
| 41 | T | 57.7 | Low | 68 | Low | 65 Ų | 65 | 81.4 Ų | 81.4 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | trans | -108.2 | -5.9 | -177 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | R39 M45 | R39-T41 VanDerWaalsContact C-N 3.29Å; R39-T41 HydrophobicContact CB-CG2 3.9Å; R39-T41 HydrophobicContact CG-CG2 3.93Å; R39-T41 PolarHBondContact O-N 2.92Å; R39-T41 PolarHBondContact O-OG1 2.79Å; T41-M45 WeakPolarHBondContact O-CE 3.3Å; T41-M45 WeakPolarHBondContact O-CG 3.24Å | ||
| 42 | E | 56.7 | Low | 67 | Low | 143 Ų | 143 | 82.5 Ų | 82.5 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -103 | -19.8 | -165.8 | -69.3 | 178.2 | -173.4 | 0 | 0 | 115.4 | ||
| 43 | V | 62.4 | Low | 66.3 | Low | 36 Ų | 36 | 80.4 Ų | 80.4 | 22% | 0.218 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -20 | -170.1 | -164 | 0 | 0 | 0 | 0 | 113.9 | I40 P57 Y64 | I40-V43 HydrophobicContact CG2-CG2 4.26Å; V43-P57 HydrophobicContact CB-CB 4.37Å; V43-Y64 HydrophobicContact CG1-CD1 4.25Å |
| 44 | C | 65.8 | Low | 66.1 | Low | 43 Ų | 43 | 82.5 Ų | 82.5 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 20.6 | 178.3 | -70.4 | 0 | 0 | 0 | 0 | 113.5 | N46 C55 | C44-N46 PolarHBondContact O-N 2.84Å; C44-C55 VanDerWaalsContact CA-SG 3.58Å; C44-C55 HydrophobicContact CB-CB 3.8Å; C44-C55 WeakPolarHBondContact CB-SG 3.48Å; C44-C55 VanDerWaalsContact SG-C 3.52Å; C44-C55 WeakPolarHBondContact SG-CB 3.03Å; C44-C55 CovalentContact SG-SG 2.05Å; C44-C55 PolarHBondContact SG-SG 3.33Å |
| 45 | M | 59.2 | Low | 65.7 | Low | 134 Ų | 134 | 76.8 Ų | 76.8 | 66% | 0.66 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -64.6 | -23.8 | -174.1 | -117.5 | 171.9 | -175.1 | 0 | 0 | 113.7 | T41 | T41-M45 WeakPolarHBondContact O-CE 3.3Å; T41-M45 WeakPolarHBondContact O-CG 3.24Å |
| 46 | N | 57 | Low | 64.8 | Low | 141 Ų | 141 | 82.5 Ų | 82.5 | 75% | 0.754 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -130 | 119.1 | 165.8 | -83.1 | -27.8 | 0 | 0 | 0 | 107.1 | C44 S48 | C44-N46 PolarHBondContact O-N 2.84Å; N46-S48 VanDerWaalsContact C-N 3.33Å; N46-S48 PolarHBondContact O-N 3.38Å; N46-S48 PolarHBondContact O-OG 3.43Å |
| 47 | N | 58.2 | Low | 63.9 | Low | 87 Ų | 87 | 85.8 Ų | 85.8 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | trans | -63.3 | 90.2 | -177.9 | -169.8 | 12.9 | 0 | 0 | 0 | 110.7 | C49 S53 C55 | N47-C49 PolarHBondContact O-N 3.22Å; N47-C49 VanDerWaalsContact OD1-CB 3.31Å; N47-C49 WeakPolarHBondContact OD1-CB 3.3Å; N47-C49 PolarHBondContact OD1-N 3.45Å; N47-S53 PolarHBondContact ND2-O 3.42Å; N47-S53 PolarHBondContact OD1-O 2.96Å; N47-C55 WeakPolarHBondContact OD1-CB 3.25Å | ||
| 48 | S | 63.3 | Low | 62.8 | Low | 85 Ų | 85 | 87.4 Ų | 87.4 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | trans | -75 | 2.3 | 179.3 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | N46 | N46-S48 VanDerWaalsContact C-N 3.33Å; N46-S48 PolarHBondContact O-N 3.38Å; N46-S48 PolarHBondContact O-OG 3.43Å | ||
| 49 | C | 64.8 | Low | 61.6 | Low | 12 Ų | 12 | 91.5 Ų | 91.5 | 8% | 0.081 | 49% | 0.487 | C | S | . | . | trans | -78.5 | 124.7 | 177.7 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | N47 C66 | N47-C49 PolarHBondContact O-N 3.22Å; N47-C49 VanDerWaalsContact OD1-CB 3.31Å; N47-C49 WeakPolarHBondContact OD1-CB 3.3Å; N47-C49 PolarHBondContact OD1-N 3.45Å; C49-C66 VanDerWaalsContact CA-SG 3.52Å; C49-C66 HydrophobicContact CB-CB 3.66Å; C49-C66 WeakPolarHBondContact CB-SG 3.44Å; C49-C66 VanDerWaalsContact SG-CA 3.51Å; C49-C66 WeakPolarHBondContact SG-CB 3.01Å; C49-C66 CovalentContact SG-SG 2.03Å; C49-C66 PolarHBondContact SG-SG 3.08Å | ||
| 50 | A | 54.2 | Low | 61.1 | Low | 71 Ų | 71 | 86.6 Ų | 86.6 | 59% | 0.587 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -64.2 | 158.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G52 S53 | A50-G52 PolarHBondContact O-N 2.79Å; A50-S53 PolarHBondContact O-N 2.95Å; A50-S53 PolarHBondContact O-OG 2.82Å |
| 51 | N | 52.3 | Low | 60.4 | Low | 151 Ų | 151 | 85.8 Ų | 85.8 | 81% | 0.807 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | 62.7 | 30.4 | 169.8 | -57.9 | -26.3 | 0 | 0 | 0 | 116.5 | S53 | N51-S53 PolarHBondContact O-N 3.19Š|
| 52 | G | 57.5 | Low | 60.3 | Low | 72 Ų | 72 | 92.5 Ų | 92.5 | 74% | 0.742 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | 69.8 | 17.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | A50 | A50-G52 PolarHBondContact O-N 2.79Š|
| 53 | S | 58.9 | Low | 60.3 | Low | 15 Ų | 15 | 89.5 Ų | 89.5 | 11% | 0.105 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 153 | 175.5 | -37.8 | 0 | 0 | 0 | 0 | 110.6 | N47 A50 N51 | N47-S53 PolarHBondContact ND2-O 3.42Å; N47-S53 PolarHBondContact OD1-O 2.96Å; A50-S53 PolarHBondContact O-N 2.95Å; A50-S53 PolarHBondContact O-OG 2.82Å; N51-S53 PolarHBondContact O-N 3.19Å |
| 54 | T | 69.7 | Low | 60.7 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.1 | -177.2 | -50.2 | 0 | 0 | 0 | 0 | 110.2 | D67 | T54-D67 PolarHBondContact N-O 3.24Å; T54-D67 PolarHBondContact O-N 3.31Å |
| 55 | C | 72.1 | Confident | 60.9 | Low | 21 Ų | 21 | 93.1 Ų | 93.1 | 14% | 0.142 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 128 | 173.4 | -176 | 0 | 0 | 0 | 0 | 111 | C44 N47 | C44-C55 VanDerWaalsContact CA-SG 3.58Å; C44-C55 HydrophobicContact CB-CB 3.8Å; C44-C55 WeakPolarHBondContact CB-SG 3.48Å; C44-C55 VanDerWaalsContact SG-C 3.52Å; C44-C55 WeakPolarHBondContact SG-CB 3.03Å; C44-C55 CovalentContact SG-SG 2.05Å; C44-C55 PolarHBondContact SG-SG 3.33Å; N47-C55 WeakPolarHBondContact OD1-CB 3.25Å |
| 56 | R | 67.7 | Low | 61.5 | Low | 146 Ų | 146 | 89.6 Ų | 89.6 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.3 | 173 | -95.1 | -172.1 | 170.6 | 161.7 | -9.2 | 110.4 | Y64 T65 D67 | R56-Y64 CarbonylContact O-C 3.55Å; R56-Y64 VanDerWaalsContact O-CA 3.23Å; R56-Y64 WeakPolarHBondContact O-CA 3.31Å; R56-T65 WeakPolarHBondContact CB-OG1 3.27Å; R56-T65 PolarHBondContact N-O 3.16Å; R56-T65 PolarHBondContact O-N 3.35Å; R56-T65 PolarHBondContact O-OG1 2.94Å; R56-D67 WeakPolarHBondContact CD-OD2 3.13Å; R56-D67 IonicContact CZ-OD2 3.8Å; R56-D67 IonicContact NE-OD2 3.42Å; R56-D67 IonicContact NH1-OD2 3.79Å; R56-D67 PolarHBondContact NH1-OD2 3.1Å |
| 57 | P | 65.7 | Low | 61.7 | Low | 69 Ų | 69 | 85.6 Ų | 85.6 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 138.6 | 175.8 | 25.1 | -29.3 | 0 | 0 | 0 | 111.4 | V43 | V43-P57 HydrophobicContact CB-CB 4.37Å |
| 58 | K | 61.8 | Low | 61.4 | Low | 103 Ų | 103 | 89.3 Ų | 89.3 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | trans | -79.9 | 162 | 171.9 | -77.9 | -167.2 | 176.1 | 178 | 0 | 111.1 | D60 A61 N63 T65 | K58-D60 WeakPolarHBondContact CB-OD1 3.45Å; K58-D60 PolarHBondContact O-N 3.13Å; K58-D60 VanDerWaalsContact O-N 3.15Å; K58-A61 PolarHBondContact O-N 2.73Å; K58-N63 HydrophobicContact CB-CB 4.05Å; K58-N63 WeakPolarHBondContact CB-O 3.29Å; K58-N63 HydrophobicContact CD-CB 3.85Å; K58-N63 HydrophobicContact CG-CB 4.22Å; K58-N63 PolarHBondContact N-O 3.11Å; K58-T65 HydrophobicContact CD-CG2 4.25Å; K58-T65 HydrophobicContact CG-CG2 3.94Å | ||
| 59 | Y | 52.7 | Low | 60.5 | Low | 226 Ų | 226 | 92.1 Ų | 92.1 | 89% | 0.886 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.3 | -179.5 | -69.7 | -79.9 | 0 | 0 | 0 | 114.9 | A61 | Y59-A61 VanDerWaalsContact C-N 3.31Å; Y59-A61 PolarHBondContact O-N 2.96Å |
| 60 | D | 60 | Low | 59.2 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.2 | -177.5 | 59.5 | 9.4 | 0 | 0 | 0 | 113.8 | K58 Y62 N63 | K58-D60 WeakPolarHBondContact CB-OD1 3.45Å; K58-D60 PolarHBondContact O-N 3.13Å; K58-D60 VanDerWaalsContact O-N 3.15Å; D60-Y62 WeakPolarHBondContact O-CD2 3.34Å; D60-Y62 PolarHBondContact O-N 3.11Å; D60-Y62 PolarHBondContact OD1-N 2.87Å; D60-N63 WeakPolarHBondContact OD1-CB 3.35Å; D60-N63 PolarHBondContact OD1-N 3.37Å; D60-N63 PolarHBondContact OD2-ND2 2.03Å |
| 61 | A | 50.3 | Low | 58.1 | Low | 33 Ų | 33 | 104.4 Ų | 104.4 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | S | Bend | trans | 60.7 | 1.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I32 K58 Y59 | I32-A61 HydrophobicContact CG2-CB 4.49Å; K58-A61 PolarHBondContact O-N 2.73Å; Y59-A61 VanDerWaalsContact C-N 3.31Å; Y59-A61 PolarHBondContact O-N 2.96Å |
| 62 | Y | 56 | Low | 57 | Low | 205 Ų | 205 | 107.4 Ų | 107.4 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -120.8 | -16.2 | -180 | -61.8 | -71.7 | 0 | 0 | 0 | 113.7 | D60 | D60-Y62 WeakPolarHBondContact O-CD2 3.34Å; D60-Y62 PolarHBondContact O-N 3.11Å; D60-Y62 PolarHBondContact OD1-N 2.87Å |
| 63 | N | 57.4 | Low | 55.7 | Low | 80 Ų | 80 | 109 Ų | 109 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | trans | -116.5 | 158 | -178.1 | -70.2 | -39.4 | 0 | 0 | 0 | 113.2 | K58 D60 | K58-N63 HydrophobicContact CB-CB 4.05Å; K58-N63 WeakPolarHBondContact CB-O 3.29Å; K58-N63 HydrophobicContact CD-CB 3.85Å; K58-N63 HydrophobicContact CG-CB 4.22Å; K58-N63 PolarHBondContact N-O 3.11Å; D60-N63 WeakPolarHBondContact OD1-CB 3.35Å; D60-N63 PolarHBondContact OD1-N 3.37Å; D60-N63 PolarHBondContact OD2-ND2 2.03Å | ||
| 64 | Y | 69.7 | Low | 54.3 | Low | 103 Ų | 103 | 117.9 Ų | 117.9 | 40% | 0.404 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 159.5 | 170.1 | 63.2 | -83.8 | 0 | 0 | 0 | 111.2 | V43 R56 | V43-Y64 HydrophobicContact CG1-CD1 4.25Å; R56-Y64 CarbonylContact O-C 3.55Å; R56-Y64 VanDerWaalsContact O-CA 3.23Å; R56-Y64 WeakPolarHBondContact O-CA 3.31Å |
| 65 | T | 71.5 | Confident | 52.3 | Low | 53 Ų | 53 | 118.9 Ų | 118.9 | 33% | 0.325 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.2 | 169.4 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | R56 K58 | R56-T65 WeakPolarHBondContact CB-OG1 3.27Å; R56-T65 PolarHBondContact N-O 3.16Å; R56-T65 PolarHBondContact O-N 3.35Å; R56-T65 PolarHBondContact O-OG1 2.94Å; K58-T65 HydrophobicContact CD-CG2 4.25Å; K58-T65 HydrophobicContact CG-CG2 3.94Å |
| 66 | C | 70.8 | Confident | 50.2 | Low | 60 Ų | 60 | 122.6 Ų | 122.6 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.7 | 175.2 | -63.3 | 0 | 0 | 0 | 0 | 109 | C49 | C49-C66 VanDerWaalsContact CA-SG 3.52Å; C49-C66 HydrophobicContact CB-CB 3.66Å; C49-C66 WeakPolarHBondContact CB-SG 3.44Å; C49-C66 VanDerWaalsContact SG-CA 3.51Å; C49-C66 WeakPolarHBondContact SG-CB 3.01Å; C49-C66 CovalentContact SG-SG 2.03Å; C49-C66 PolarHBondContact SG-SG 3.08Å |
| 67 | D | 61.6 | Low | 48.5 | Very low | 56 Ų | 56 | 123.4 Ų | 123.4 | 30% | 0.299 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.2 | 178.4 | -95.1 | -23.1 | 0 | 0 | 0 | 110.8 | T54 R56 | T54-D67 PolarHBondContact N-O 3.24Å; T54-D67 PolarHBondContact O-N 3.31Å; R56-D67 WeakPolarHBondContact CD-OD2 3.13Å; R56-D67 IonicContact CZ-OD2 3.8Å; R56-D67 IonicContact NE-OD2 3.42Å; R56-D67 IonicContact NH1-OD2 3.79Å; R56-D67 PolarHBondContact NH1-OD2 3.1Å |
| 68 | Y | 52.6 | Low | 46.8 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | trans | -89 | 113.8 | 173.1 | -171.1 | -99.7 | 0 | 0 | 0 | 110 | L70 | Y68-L70 HydrophobicContact CD1-CG 4.21Å; Y68-L70 HydrophobicContact CE1-CD2 4.28Å; Y68-L70 HydrophobicContact CE1-CG 4.12Å; Y68-L70 PolarHBondContact O-N 2.83Å | ||
| 69 | Q | 42.8 | Very low | 45.2 | Very low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.673 | 65% | 0.648 | S | S | * | * | trans | -87.4 | 102.1 | 177.8 | -74.5 | -79.8 | -27.6 | 0 | 0 | 110.3 | K71 | Q69-K71 PolarHBondContact O-N 3.42Š| ||
| 70 | L | 37.1 | Very low | 44.2 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 75% | 0.749 | 64% | 0.635 | S | S | * | * | trans | -64.5 | 98.5 | 166.2 | -85.5 | 155.1 | 0 | 0 | 0 | 109.9 | Y68 K72 | Y68-L70 HydrophobicContact CD1-CG 4.21Å; Y68-L70 HydrophobicContact CE1-CD2 4.28Å; Y68-L70 HydrophobicContact CE1-CG 4.12Å; Y68-L70 PolarHBondContact O-N 2.83Å; L70-K72 PolarHBondContact O-N 2.82Å; L70-K72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | K | 32.3 | Very low | 43 | Very low | 199 Ų | 199 | 129.6 Ų | 129.6 | 87% | 0.865 | 66% | 0.658 | S | S | * | * | trans | -65.3 | 107.9 | 163.8 | -82.2 | -172 | 177.7 | 179.2 | 0 | 109 | Q69 S73 | Q69-K71 PolarHBondContact O-N 3.42Å; K71-S73 PolarHBondContact O-N 3.27Å | ||
| 72 | K | 29.1 | Very low | 42.5 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.926 | 69% | 0.687 | S | S | * | * | trans | -62.4 | 112.3 | 167.5 | -84.8 | 178.2 | 172.9 | 174.9 | 0 | 110.3 | L70 | L70-K72 PolarHBondContact O-N 2.82Å; L70-K72 VanDerWaalsContact O-N 3.09Å | ||
| 73 | S | 29.9 | Very low | 42 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 68% | 0.679 | S | S | * | * | trans | -154.5 | 114.1 | 150.4 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | K71 | K71-S73 PolarHBondContact O-N 3.27Š| ||
| 74 | F | 29.3 | Very low | 42 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 68% | 0.683 | S | S | * | * | trans | 37 | 120.7 | 147 | -89.5 | -98.1 | 0 | 0 | 0 | 121.5 | ||||
| 75 | S | 28 | Very low | 41.6 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | 61.6 | 120.2 | 138 | 67.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 76 | S | 29 | Very low | 40.9 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | 71.2 | 119.7 | 138.4 | 63 | 0 | 0 | 0 | 0 | 120 | ||||
| 77 | L | 30.2 | Very low | 40.1 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 70% | 0.701 | S | S | * | * | trans | 69.3 | 108.3 | 157.9 | -80.3 | 89.6 | 0 | 0 | 0 | 118.7 | ||||
| 78 | C | 30.1 | Very low | 40.1 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | 165.4 | 99.4 | 118.8 | -88.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 79 | R | 28.5 | Very low | 41 | Very low | 233 Ų | 233 | 131.8 Ų | 131.8 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | 85.4 | 105.8 | 94.9 | -122.3 | -175.8 | -176.6 | 173.4 | 0.4 | 112.9 | |||||
| 80 | S | 31.5 | Very low | 42.4 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | trans | 29.9 | 115.4 | 142.9 | 56 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 81 | D | 35 | Very low | 44.1 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | trans | 172.7 | 21.9 | 134.6 | -80.8 | -14 | 0 | 0 | 0 | 115.7 | ||||
| 82 | L | 40 | Very low | 45.8 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 88% | 0.88 | 64% | 0.641 | S | S | * | * | trans | -122.2 | 73.8 | 169.6 | -85.9 | 130.8 | 0 | 0 | 0 | 110.6 | ||||
| 83 | L | 45.7 | Very low | 48 | Very low | 122 Ų | 122 | 113 Ų | 113 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | trans | -81.4 | 113.1 | 166.6 | -146.5 | 77.7 | 0 | 0 | 0 | 106.8 | C85 A86 | L83-C85 CarbonylContact O-C 3.51Å; L83-C85 PolarHBondContact O-N 2.74Å; L83-A86 PolarHBondContact O-N 3.48Å | ||
| 84 | M | 57 | Low | 50.1 | Low | 107 Ų | 107 | 109 Ų | 109 | 53% | 0.527 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -65.8 | -21.7 | -178.2 | -66.2 | -129.3 | 166 | 0 | 0 | 111.6 | A86 E98 | M84-A86 PolarHBondContact O-N 3.48Å; M84-E98 PolarHBondContact N-OE1 3.21Å |
| 85 | C | 62.5 | Low | 52.5 | Low | 25 Ų | 25 | 107.2 Ų | 107.2 | 17% | 0.169 | 58% | 0.575 | C | S | . | * | S | Bend | trans | -88 | 71.9 | 159.7 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | L83 C96 E98 | L83-C85 CarbonylContact O-C 3.51Å; L83-C85 PolarHBondContact O-N 2.74Å; C85-C96 WeakPolarHBondContact CA-SG 3.14Å; C85-C96 HydrophobicContact CB-CB 3.74Å; C85-C96 WeakPolarHBondContact CB-SG 2.95Å; C85-C96 WeakPolarHBondContact SG-CB 3.48Å; C85-C96 CovalentContact SG-SG 2.03Å; C85-C96 PolarHBondContact SG-SG 2.96Å; C85-E98 HydrophobicContact CB-CG 4.38Å |
| 86 | A | 56.6 | Low | 54.9 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | trans | -60.3 | 152.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L83 M84 D88 T89 | L83-A86 PolarHBondContact O-N 3.48Å; M84-A86 PolarHBondContact O-N 3.48Å; A86-D88 PolarHBondContact O-N 3.11Å; A86-D88 VanDerWaalsContact O-N 3.09Å; A86-T89 PolarHBondContact O-N 2.75Å; A86-T89 PolarHBondContact O-OG1 2.99Å | ||
| 87 | K | 53.8 | Low | 57 | Low | 197 Ų | 197 | 104.4 Ų | 104.4 | 86% | 0.857 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 121.6 | 178 | -120.6 | 177.7 | -178.8 | 176.9 | 0 | 108.9 | ||
| 88 | D | 60.6 | Low | 58.5 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 4.7 | 175.1 | -50.3 | -30.2 | 0 | 0 | 0 | 118.3 | A86 C90 R91 | A86-D88 PolarHBondContact O-N 3.11Å; A86-D88 VanDerWaalsContact O-N 3.09Å; D88-C90 VanDerWaalsContact C-N 3.33Å; D88-C90 PolarHBondContact O-N 2.98Å; D88-R91 HydrophobicContact CB-CB 4.31Å; D88-R91 HydrophobicContact CB-CG 4.37Å; D88-R91 PolarHBondContact O-N 2.84Å; D88-R91 VanDerWaalsContact O-N 3.16Å; D88-R91 WeakPolarHBondContact OD1-CD 3.47Å; D88-R91 IonicContact OD1-CZ 3.54Å; D88-R91 IonicContact OD1-NE 3.04Å; D88-R91 PolarHBondContact OD1-NE 2.85Å; D88-R91 IonicContact OD1-NH1 2.71Å; D88-R91 PolarHBondContact OD1-NH1 3.09Å; D88-R91 IonicContact OD1-NH2 3.93Å; D88-R91 IonicContact OD2-NH1 3.54Å |
| 89 | T | 71.2 | Confident | 59.8 | Low | 32 Ų | 32 | 101 Ų | 101 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -37.6 | -178.5 | -51.8 | 0 | 0 | 0 | 0 | 114.9 | A86 F103 T115 | A86-T89 PolarHBondContact O-N 2.75Å; A86-T89 PolarHBondContact O-OG1 2.99Å; T89-F103 HydrophobicContact CG2-CD1 4.17Å; T89-F103 HydrophobicContact CG2-CD2 3.66Å; T89-F103 HydrophobicContact CG2-CE1 3.8Å; T89-F103 HydrophobicContact CG2-CE2 3.25Å; T89-F103 HydrophobicContact CG2-CG 4.12Å; T89-F103 HydrophobicContact CG2-CZ 3.33Å; T89-T115 VanDerWaalsContact O-CB 3.27Å; T89-T115 WeakPolarHBondContact O-CB 3.39Å; T89-T115 VanDerWaalsContact O-CG2 3.3Å; T89-T115 WeakPolarHBondContact O-CG2 3.45Å |
| 90 | C | 72.7 | Confident | 61 | Low | 6 Ų | 6 | 98.1 Ų | 98.1 | 4% | 0.041 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 25.5 | 179.4 | -52 | 0 | 0 | 0 | 0 | 113.2 | D88 G94 C96 C105 T115 | D88-C90 VanDerWaalsContact C-N 3.33Å; D88-C90 PolarHBondContact O-N 2.98Å; C90-G94 CarbonylContact O-C 3.29Å; C90-G94 WeakPolarHBondContact O-CA 3.03Å; C90-G94 PolarHBondContact O-N 2.07Å; C90-G94 VanDerWaalsContact O-O 3.09Å; C90-C96 HydrophobicContact CB-CB 4.46Å; C90-C96 WeakPolarHBondContact SG-CA 3.41Å; C90-C96 WeakPolarHBondContact SG-CB 3.19Å; C90-C96 PolarHBondContact SG-N 3.5Å; C90-C105 VanDerWaalsContact CA-SG 3.52Å; C90-C105 HydrophobicContact CB-CB 3.7Å; C90-C105 WeakPolarHBondContact CB-SG 3.48Å; C90-C105 WeakPolarHBondContact SG-CA 3.36Å; C90-C105 WeakPolarHBondContact SG-CB 3.35Å; C90-C105 CovalentContact SG-SG 2.02Å; C90-C105 PolarHBondContact SG-SG 3.15Å; C90-T115 CarbonylContact C-O 3.45Å |
| 91 | R | 73 | Confident | 61.8 | Low | 163 Ų | 163 | 101.9 Ų | 101.9 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 146.9 | -179 | -81.3 | -161.1 | -177.6 | 168.1 | -9.5 | 112 | D88 | D88-R91 HydrophobicContact CB-CB 4.31Å; D88-R91 HydrophobicContact CB-CG 4.37Å; D88-R91 PolarHBondContact O-N 2.84Å; D88-R91 VanDerWaalsContact O-N 3.16Å; D88-R91 WeakPolarHBondContact OD1-CD 3.47Å; D88-R91 IonicContact OD1-CZ 3.54Å; D88-R91 IonicContact OD1-NE 3.04Å; D88-R91 PolarHBondContact OD1-NE 2.85Å; D88-R91 IonicContact OD1-NH1 2.71Å; D88-R91 PolarHBondContact OD1-NH1 3.09Å; D88-R91 IonicContact OD1-NH2 3.93Å; D88-R91 IonicContact OD2-NH1 3.54Å |
| 92 | P | 69 | Low | 63.1 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.2 | -13.9 | 10.4 | 1.7 | 16 | 0 | 0 | 0 | 114.4 | ||
| 93 | N | 74.8 | Confident | 64.8 | Low | 37 Ų | 37 | 91.1 Ų | 91.1 | 20% | 0.198 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 35.2 | -156.2 | -60.4 | -64.8 | 0 | 0 | 0 | 113.3 | C107 T108 F111 C116 | N93-C107 CarbonylContact O-C 3.59Å; N93-C107 VanDerWaalsContact O-CA 3.29Å; N93-C107 WeakPolarHBondContact O-CA 3.4Å; N93-T108 WeakPolarHBondContact CB-OG1 3.16Å; N93-T108 PolarHBondContact O-N 3.06Å; N93-T108 PolarHBondContact O-OG1 2.8Å; N93-F111 HydrophobicContact CB-CB 3.77Å; N93-F111 HydrophobicContact CB-CD1 3.78Å; N93-F111 HydrophobicContact CB-CD2 3.41Å; N93-F111 VanDerWaalsContact CB-CD2 3.41Å; N93-F111 HydrophobicContact CB-CE1 4.22Å; N93-F111 HydrophobicContact CB-CE2 3.88Å; N93-F111 HydrophobicContact CB-CG 3.35Å; N93-F111 HydrophobicContact CB-CZ 4.25Å; N93-F111 VanDerWaalsContact CG-CD2 3.47Å; N93-F111 VanDerWaalsContact CG-CE1 3.49Å; N93-F111 WeakPolarHBondContact ND2-CD1 3.02Å; N93-F111 WeakPolarHBondContact ND2-CE1 3.21Å; N93-F111 VanDerWaalsContact ND2-CZ 3.27Å; N93-F111 WeakPolarHBondContact ND2-CZ 3.48Å; N93-F111 WeakPolarHBondContact OD1-CE2 3.03Å; N93-F111 WeakPolarHBondContact OD1-CZ 3.33Å; N93-C116 HydrophobicContact CB-CB 4.41Å; N93-C116 WeakPolarHBondContact O-CB 3.28Å |
| 94 | G | 74 | Confident | 66.3 | Low | 24 Ų | 24 | 90.7 Ų | 90.7 | 25% | 0.247 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 160.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C90 S106 | C90-G94 CarbonylContact O-C 3.29Å; C90-G94 WeakPolarHBondContact O-CA 3.03Å; C90-G94 PolarHBondContact O-N 2.07Å; C90-G94 VanDerWaalsContact O-O 3.09Å; G94-S106 CarbonylContact C-O 3.55Å; G94-S106 WeakPolarHBondContact CA-O 3.48Å |
| 95 | K | 78.8 | Confident | 67.2 | Low | 164 Ų | 164 | 86.5 Ų | 86.5 | 71% | 0.713 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.3 | 172.2 | -100.9 | -175.8 | 173.5 | -176.9 | 0 | 109.8 | C105 S106 | K95-C105 CarbonylContact O-C 3.59Å; K95-S106 PolarHBondContact N-O 3.35Å; K95-S106 PolarHBondContact O-N 3.02Å |
| 96 | C | 79.6 | Confident | 67.9 | Low | 42 Ų | 42 | 88 Ų | 88 | 28% | 0.284 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.8 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | C85 C90 E104 | C85-C96 WeakPolarHBondContact CA-SG 3.14Å; C85-C96 HydrophobicContact CB-CB 3.74Å; C85-C96 WeakPolarHBondContact CB-SG 2.95Å; C85-C96 WeakPolarHBondContact SG-CB 3.48Å; C85-C96 CovalentContact SG-SG 2.03Å; C85-C96 PolarHBondContact SG-SG 2.96Å; C90-C96 HydrophobicContact CB-CB 4.46Å; C90-C96 WeakPolarHBondContact SG-CA 3.41Å; C90-C96 WeakPolarHBondContact SG-CB 3.19Å; C90-C96 PolarHBondContact SG-N 3.5Å; C96-E104 CarbonylContact C-O 3.58Å |
| 97 | M | 72 | Confident | 68.7 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | 175 | -57.3 | -177.3 | 179.1 | 0 | 0 | 108.5 | F103 E104 S106 | M97-F103 CarbonylContact O-C 3.41Å; M97-F103 VanDerWaalsContact O-CA 3.27Å; M97-F103 WeakPolarHBondContact O-CA 3.32Å; M97-E104 PolarHBondContact N-O 3.41Å; M97-E104 PolarHBondContact O-N 2.03Å; M97-S106 VanDerWaalsContact CE-CB 3.41Å |
| 98 | E | 62.8 | Low | 69.4 | Low | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135 | 176.8 | -69.7 | -173.8 | 150.5 | 0 | 0 | 110.6 | M84 C85 | M84-E98 PolarHBondContact N-OE1 3.21Å; C85-E98 HydrophobicContact CB-CG 4.38Å |
| 99 | L | 57.7 | Low | 69.1 | Low | 98 Ų | 98 | 83.3 Ų | 83.3 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 158.3 | 173.7 | -68.7 | 169.6 | 0 | 0 | 0 | 109.1 | D101 G102 E104 | L99-D101 PolarHBondContact O-N 3.14Å; L99-G102 PolarHBondContact N-O 3.39Å; L99-G102 PolarHBondContact O-N 2.77Å; L99-E104 HydrophobicContact CD1-CB 3.94Å |
| 100 | D | 52 | Low | 68.2 | Low | 171 Ų | 171 | 84.7 Ų | 84.7 | 91% | 0.914 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.1 | -178.4 | -71.7 | -33.9 | 0 | 0 | 0 | 113.2 | ||
| 101 | D | 49 | Very low | 67.8 | Low | 167 Ų | 167 | 87.4 Ų | 87.4 | 89% | 0.893 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | 31 | 179.4 | -56.5 | -37.1 | 0 | 0 | 0 | 113.7 | L99 | L99-D101 PolarHBondContact O-N 3.14Š|
| 102 | G | 63 | Low | 67.4 | Low | 18 Ų | 18 | 83.2 Ų | 83.2 | 19% | 0.186 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | -151.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L99 | L99-G102 PolarHBondContact N-O 3.39Å; L99-G102 PolarHBondContact O-N 2.77Å |
| 103 | F | 75.1 | Confident | 67.2 | Low | 85 Ų | 85 | 79.9 Ų | 79.9 | 37% | 0.373 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.1 | 173 | 72.9 | -89.8 | 0 | 0 | 0 | 111.2 | T89 M97 | T89-F103 HydrophobicContact CG2-CD1 4.17Å; T89-F103 HydrophobicContact CG2-CD2 3.66Å; T89-F103 HydrophobicContact CG2-CE1 3.8Å; T89-F103 HydrophobicContact CG2-CE2 3.25Å; T89-F103 HydrophobicContact CG2-CG 4.12Å; T89-F103 HydrophobicContact CG2-CZ 3.33Å; M97-F103 CarbonylContact O-C 3.41Å; M97-F103 VanDerWaalsContact O-CA 3.27Å; M97-F103 WeakPolarHBondContact O-CA 3.32Å |
| 104 | E | 76.3 | Confident | 67 | Low | 113 Ų | 113 | 86.6 Ų | 86.6 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.1 | 172.4 | -174.7 | 174.2 | -174.3 | 0 | 0 | 110.2 | C96 M97 L99 | C96-E104 CarbonylContact C-O 3.58Å; M97-E104 PolarHBondContact N-O 3.41Å; M97-E104 PolarHBondContact O-N 2.03Å; L99-E104 HydrophobicContact CD1-CB 3.94Å |
| 105 | C | 77.1 | Confident | 67.2 | Low | 19 Ų | 19 | 87.5 Ų | 87.5 | 13% | 0.128 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.3 | 178.3 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | C90 K95 C107 E114 | C90-C105 VanDerWaalsContact CA-SG 3.52Å; C90-C105 HydrophobicContact CB-CB 3.7Å; C90-C105 WeakPolarHBondContact CB-SG 3.48Å; C90-C105 WeakPolarHBondContact SG-CA 3.36Å; C90-C105 WeakPolarHBondContact SG-CB 3.35Å; C90-C105 CovalentContact SG-SG 2.02Å; C90-C105 PolarHBondContact SG-SG 3.15Å; K95-C105 CarbonylContact O-C 3.59Å; C105-C107 PolarHBondContact O-N 2.97Å; C105-E114 WeakPolarHBondContact CB-O 3.3Å; C105-E114 PolarHBondContact SG-O 2.73Å |
| 106 | S | 77.4 | Confident | 67 | Low | 57 Ų | 57 | 79.7 Ų | 79.7 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 100.3 | 170.4 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | G94 K95 M97 | G94-S106 CarbonylContact C-O 3.55Å; G94-S106 WeakPolarHBondContact CA-O 3.48Å; K95-S106 PolarHBondContact N-O 3.35Å; K95-S106 PolarHBondContact O-N 3.02Å; M97-S106 VanDerWaalsContact CE-CB 3.41Å |
| 107 | C | 72.5 | Confident | 66.5 | Low | 43 Ų | 43 | 82.4 Ų | 82.4 | 29% | 0.291 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 144.5 | -178 | -52.1 | 0 | 0 | 0 | 0 | 113.9 | N93 C105 F111 C116 | N93-C107 CarbonylContact O-C 3.59Å; N93-C107 VanDerWaalsContact O-CA 3.29Å; N93-C107 WeakPolarHBondContact O-CA 3.4Å; C105-C107 PolarHBondContact O-N 2.97Å; C107-F111 WeakPolarHBondContact CB-O 3.1Å; C107-C116 WeakPolarHBondContact CA-SG 2.89Å; C107-C116 HydrophobicContact CB-CB 3.74Å; C107-C116 WeakPolarHBondContact CB-SG 3.35Å; C107-C116 PolarHBondContact N-SG 3.19Å; C107-C116 VanDerWaalsContact N-SG 3.42Å; C107-C116 WeakPolarHBondContact SG-CA 3.23Å; C107-C116 WeakPolarHBondContact SG-CB 3.19Å; C107-C116 CovalentContact SG-SG 2.03Å; C107-C116 PolarHBondContact SG-SG 2.75Å |
| 108 | T | 69.3 | Low | 66.1 | Low | 70 Ų | 70 | 83.3 Ų | 83.3 | 43% | 0.429 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 148.9 | 168 | 41 | 0 | 0 | 0 | 0 | 110.5 | N93 G110 F111 | N93-T108 WeakPolarHBondContact CB-OG1 3.16Å; N93-T108 PolarHBondContact O-N 3.06Å; N93-T108 PolarHBondContact O-OG1 2.8Å; T108-G110 PolarHBondContact O-N 2.79Å; T108-F111 PolarHBondContact O-N 2.7Å |
| 109 | P | 54.7 | Low | 65.7 | Low | 134 Ų | 134 | 80.1 Ų | 80.1 | 87% | 0.87 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 123.6 | -179 | -26.4 | 33.9 | 0 | 0 | 0 | 112.4 | ||
| 110 | G | 51.8 | Low | 65 | Low | 61 Ų | 61 | 84.7 Ų | 84.7 | 63% | 0.629 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.1 | 1.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T108 | T108-G110 PolarHBondContact O-N 2.79Š|
| 111 | F | 64.3 | Low | 64.5 | Low | 63 Ų | 63 | 86.3 Ų | 86.3 | 28% | 0.276 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.2 | 174.6 | -64.4 | -89 | 0 | 0 | 0 | 112.1 | N93 C107 T108 E118 G119 | N93-F111 HydrophobicContact CB-CB 3.77Å; N93-F111 HydrophobicContact CB-CD1 3.78Å; N93-F111 HydrophobicContact CB-CD2 3.41Å; N93-F111 VanDerWaalsContact CB-CD2 3.41Å; N93-F111 HydrophobicContact CB-CE1 4.22Å; N93-F111 HydrophobicContact CB-CE2 3.88Å; N93-F111 HydrophobicContact CB-CG 3.35Å; N93-F111 HydrophobicContact CB-CZ 4.25Å; N93-F111 VanDerWaalsContact CG-CD2 3.47Å; N93-F111 VanDerWaalsContact CG-CE1 3.49Å; N93-F111 WeakPolarHBondContact ND2-CD1 3.02Å; N93-F111 WeakPolarHBondContact ND2-CE1 3.21Å; N93-F111 VanDerWaalsContact ND2-CZ 3.27Å; N93-F111 WeakPolarHBondContact ND2-CZ 3.48Å; N93-F111 WeakPolarHBondContact OD1-CE2 3.03Å; N93-F111 WeakPolarHBondContact OD1-CZ 3.33Å; C107-F111 WeakPolarHBondContact CB-O 3.1Å; T108-F111 PolarHBondContact O-N 2.7Å; F111-E118 CarbonylContact C-O 3.59Å; F111-E118 WeakPolarHBondContact CA-O 3.49Å; F111-E118 WeakPolarHBondContact CD1-O 3.22Å; F111-G119 VanDerWaalsContact CD1-CA 3.5Å |
| 112 | T | 64.9 | Low | 64 | Low | 74 Ų | 74 | 90.2 Ų | 90.2 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 178.8 | -179.6 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | C116 N117 E118 | T112-C116 CarbonylContact O-C 3.24Å; T112-C116 WeakPolarHBondContact O-CA 3.03Å; T112-N117 PolarHBondContact O-N 3.11Å; T112-E118 PolarHBondContact N-O 2.82Å; T112-E118 WeakPolarHBondContact O-CB 3.34Å; T112-E118 PolarHBondContact O-N 2.79Å; T112-E118 WeakPolarHBondContact OG1-CB 3.36Å; T112-E118 PolarHBondContact OG1-OE2 2.92Å |
| 113 | G | 64.8 | Low | 62.9 | Low | 28 Ų | 28 | 95.6 Ų | 95.6 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 96.1 | 156.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T115 C116 | G113-T115 PolarHBondContact O-N 3.32Å; G113-T115 VanDerWaalsContact O-N 3.08Å; G113-C116 PolarHBondContact O-N 2.03Å |
| 114 | E | 70.2 | Confident | 61.2 | Low | 179 Ų | 179 | 98.2 Ų | 98.2 | 84% | 0.836 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22 | 180 | -73.1 | -173.8 | 161.7 | 0 | 0 | 113.5 | C105 | C105-E114 WeakPolarHBondContact CB-O 3.3Å; C105-E114 PolarHBondContact SG-O 2.73Å |
| 115 | T | 77.6 | Confident | 59.5 | Low | 43 Ų | 43 | 104.6 Ų | 104.6 | 26% | 0.264 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 13 | 178.2 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | T89 C90 G113 N117 | T89-T115 VanDerWaalsContact O-CB 3.27Å; T89-T115 WeakPolarHBondContact O-CB 3.39Å; T89-T115 VanDerWaalsContact O-CG2 3.3Å; T89-T115 WeakPolarHBondContact O-CG2 3.45Å; C90-T115 CarbonylContact C-O 3.45Å; G113-T115 PolarHBondContact O-N 3.32Å; G113-T115 VanDerWaalsContact O-N 3.08Å; T115-N117 PolarHBondContact O-N 3.29Å; T115-N117 PolarHBondContact OG1-ND2 3.11Å; T115-N117 VanDerWaalsContact OG1-ND2 3.17Å; T115-N117 PolarHBondContact OG1-OD1 3.01Å; T115-N117 VanDerWaalsContact OG1-OD1 3.07Å |
| 116 | C | 74.3 | Confident | 58.1 | Low | 0 Ų | 0 | 109.7 Ų | 109.7 | 0% | 0 | 58% | 0.576 | C | S | . | * | S | Bend | trans | 57.4 | 34.8 | -178.8 | -51.1 | 0 | 0 | 0 | 0 | 114.2 | N93 C107 T112 G113 | N93-C116 HydrophobicContact CB-CB 4.41Å; N93-C116 WeakPolarHBondContact O-CB 3.28Å; C107-C116 WeakPolarHBondContact CA-SG 2.89Å; C107-C116 HydrophobicContact CB-CB 3.74Å; C107-C116 WeakPolarHBondContact CB-SG 3.35Å; C107-C116 PolarHBondContact N-SG 3.19Å; C107-C116 VanDerWaalsContact N-SG 3.42Å; C107-C116 WeakPolarHBondContact SG-CA 3.23Å; C107-C116 WeakPolarHBondContact SG-CB 3.19Å; C107-C116 CovalentContact SG-SG 2.03Å; C107-C116 PolarHBondContact SG-SG 2.75Å; T112-C116 CarbonylContact O-C 3.24Å; T112-C116 WeakPolarHBondContact O-CA 3.03Å; G113-C116 PolarHBondContact O-N 2.03Å |
| 117 | N | 69.6 | Low | 56.9 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | trans | -98.7 | -6.9 | -174.4 | 56 | -22.8 | 0 | 0 | 0 | 113.6 | T112 T115 | T112-N117 PolarHBondContact O-N 3.11Å; T115-N117 PolarHBondContact O-N 3.29Å; T115-N117 PolarHBondContact OG1-ND2 3.11Å; T115-N117 VanDerWaalsContact OG1-ND2 3.17Å; T115-N117 PolarHBondContact OG1-OD1 3.01Å; T115-N117 VanDerWaalsContact OG1-OD1 3.07Å | ||
| 118 | E | 63.1 | Low | 55.8 | Low | 112 Ų | 112 | 119.2 Ų | 119.2 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.5 | 177.2 | -59.6 | 174.3 | 168.4 | 0 | 0 | 110.2 | F111 T112 | F111-E118 CarbonylContact C-O 3.59Å; F111-E118 WeakPolarHBondContact CA-O 3.49Å; F111-E118 WeakPolarHBondContact CD1-O 3.22Å; T112-E118 PolarHBondContact N-O 2.82Å; T112-E118 WeakPolarHBondContact O-CB 3.34Å; T112-E118 PolarHBondContact O-N 2.79Å; T112-E118 WeakPolarHBondContact OG1-CB 3.36Å; T112-E118 PolarHBondContact OG1-OE2 2.92Å |
| 119 | G | 55.8 | Low | 55.3 | Low | 48 Ų | 48 | 124.9 Ų | 124.9 | 50% | 0.495 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F111 | F111-G119 VanDerWaalsContact CD1-CA 3.5Å |
| 120 | K | 43.3 | Very low | 55.4 | Low | 194 Ų | 194 | 119.6 Ų | 119.6 | 84% | 0.843 | 58% | 0.58 | S | S | * | * | trans | 72.9 | 85.3 | 153.9 | -131.7 | 175.9 | -167.4 | 173.7 | 0 | 119.5 | ||||
| 121 | F | 40.5 | Very low | 55.9 | Low | 205 Ų | 205 | 122.9 Ų | 122.9 | 90% | 0.899 | 58% | 0.579 | S | S | * | * | trans | -73.7 | 130.1 | 156.7 | -101.4 | -94.8 | 0 | 0 | 0 | 111.5 | L123 | F121-L123 PolarHBondContact O-N 2.96Š| ||
| 122 | R | 38 | Very low | 55.7 | Low | 250 Ų | 250 | 122.2 Ų | 122.2 | 94% | 0.943 | 58% | 0.582 | S | S | * | * | trans | -66.4 | 103.7 | 171.5 | -90.6 | 179.8 | 168.1 | 173.9 | -2 | 110 | ||||
| 123 | L | 40.5 | Very low | 55.2 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 69% | 0.686 | 58% | 0.581 | S | S | * | * | trans | -80.6 | 132.6 | 166.8 | -79.7 | 158 | 0 | 0 | 0 | 110.6 | F121 F127 | F121-L123 PolarHBondContact O-N 2.96Å; L123-F127 HydrophobicContact CB-CD2 4.1Å; L123-F127 HydrophobicContact CD2-CD2 4.09Å; L123-F127 HydrophobicContact CD2-CE2 4.21Å; L123-F127 HydrophobicContact CD2-CG 4.49Å | ||
| 124 | L | 38.9 | Very low | 54.5 | Low | 139 Ų | 139 | 127.4 Ų | 127.4 | 73% | 0.728 | 60% | 0.601 | S | S | * | * | trans | -59.5 | 164.4 | -176.7 | -79.3 | 145.8 | 0 | 0 | 0 | 113.6 | T126 F127 | L124-T126 PolarHBondContact O-N 2.72Å; L124-F127 HydrophobicContact CB-CD2 4.42Å; L124-F127 HydrophobicContact CB-CE2 4.21Å; L124-F127 VanDerWaalsContact O-CD2 3.23Å; L124-F127 WeakPolarHBondContact O-CD2 3.2Å; L124-F127 PolarHBondContact O-N 3.32Å | ||
| 125 | R | 41.2 | Very low | 53.7 | Low | 247 Ų | 247 | 121.9 Ų | 121.9 | 93% | 0.932 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -13.7 | -165.8 | -75.5 | -178.9 | 175 | -175.5 | -1.4 | 116.9 | ||
| 126 | T | 46.9 | Very low | 52 | Low | 127 Ų | 127 | 129.5 Ų | 129.5 | 78% | 0.779 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -15.5 | -175.9 | 30.4 | 0 | 0 | 0 | 0 | 114.7 | L124 R128 | L124-T126 PolarHBondContact O-N 2.72Å; T126-R128 PolarHBondContact O-N 2.86Å |
| 127 | F | 53.3 | Low | 50.5 | Low | 59 Ų | 59 | 132.8 Ų | 132.8 | 26% | 0.259 | 65% | 0.646 | S | S | . | * | trans | -90.2 | 5.3 | -168.2 | -63.7 | -74.1 | 0 | 0 | 0 | 116.3 | L123 L124 R129 A130 L152 | L123-F127 HydrophobicContact CB-CD2 4.1Å; L123-F127 HydrophobicContact CD2-CD2 4.09Å; L123-F127 HydrophobicContact CD2-CE2 4.21Å; L123-F127 HydrophobicContact CD2-CG 4.49Å; L124-F127 HydrophobicContact CB-CD2 4.42Å; L124-F127 HydrophobicContact CB-CE2 4.21Å; L124-F127 VanDerWaalsContact O-CD2 3.23Å; L124-F127 WeakPolarHBondContact O-CD2 3.2Å; L124-F127 PolarHBondContact O-N 3.32Å; F127-R129 PolarHBondContact O-N 2.9Å; F127-A130 PolarHBondContact O-N 2.74Å; F127-L152 HydrophobicContact CE1-CB 4.46Å | ||
| 128 | R | 50 | Low | 49.6 | Very low | 240 Ų | 240 | 135.6 Ų | 135.6 | 91% | 0.906 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -3.9 | -169.5 | -79.4 | -159.8 | -176.9 | -160.8 | 3 | 116.2 | T126 | T126-R128 PolarHBondContact O-N 2.86Š|
| 129 | R | 56.8 | Low | 48.7 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -6.5 | -178 | -60.5 | -175.1 | 178.5 | -177.7 | -1.1 | 114.3 | F127 P145 | F127-R129 PolarHBondContact O-N 2.9Å; R129-P145 HydrophobicContact CB-CG 3.74Å; R129-P145 VanDerWaalsContact O-CD 3.31Å; R129-P145 WeakPolarHBondContact O-CD 3.28Å; R129-P145 WeakPolarHBondContact O-CG 3.39Å |
| 130 | A | 58 | Low | 48.7 | Very low | 23 Ų | 23 | 139 Ų | 139 | 19% | 0.19 | 66% | 0.663 | C | S | . | * | trans | -101 | 143.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F127 I143 C153 | F127-A130 PolarHBondContact O-N 2.74Å; A130-I143 WeakPolarHBondContact CA-O 3.12Å; A130-C153 HydrophobicContact CB-CB 3.86Å; A130-C153 VanDerWaalsContact CB-SG 3.56Å | ||
| 131 | Q | 61.3 | Low | 49.6 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 61% | 0.607 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 107.5 | 169.8 | -70.8 | -178.9 | 2 | 0 | 0 | 109.2 | F133 C142 I143 | Q131-F133 HydrophobicContact CB-CE2 4.31Å; Q131-F133 HydrophobicContact CB-CZ 4.08Å; Q131-F133 VanDerWaalsContact O-CE2 3.31Å; Q131-F133 WeakPolarHBondContact O-CE2 3.48Å; Q131-C142 CarbonylContact O-C 3.26Å; Q131-C142 WeakPolarHBondContact O-CA 3.02Å; Q131-I143 HydrophobicContact CB-CB 4.33Å; Q131-I143 PolarHBondContact N-O 2.76Å; Q131-I143 PolarHBondContact O-N 2.03Å |
| 132 | C | 60.8 | Low | 50.7 | Low | 50 Ų | 50 | 125.1 Ų | 125.1 | 34% | 0.338 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.6 | -176.9 | -55 | 0 | 0 | 0 | 0 | 112.6 | T141 C142 | C132-T141 CarbonylContact C-O 3.52Å; C132-T141 VanDerWaalsContact CA-O 3.27Å; C132-T141 WeakPolarHBondContact CA-O 2.99Å; C132-C142 HydrophobicContact CB-CB 4.12Å; C132-C142 WeakPolarHBondContact CB-SG 3.25Å; C132-C142 WeakPolarHBondContact SG-CB 3.48Å; C132-C142 CovalentContact SG-SG 2.04Å; C132-C142 PolarHBondContact SG-SG 3.45Å |
| 133 | F | 54.3 | Low | 52.1 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.7 | -177.2 | -45.7 | -87.2 | 0 | 0 | 0 | 110.4 | Q131 Y140 T141 I143 | Q131-F133 HydrophobicContact CB-CE2 4.31Å; Q131-F133 HydrophobicContact CB-CZ 4.08Å; Q131-F133 VanDerWaalsContact O-CE2 3.31Å; Q131-F133 WeakPolarHBondContact O-CE2 3.48Å; F133-Y140 CarbonylContact O-C 3.5Å; F133-Y140 WeakPolarHBondContact O-CA 3.27Å; F133-T141 WeakPolarHBondContact CD2-O 3.33Å; F133-T141 PolarHBondContact N-O 2.02Å; F133-T141 PolarHBondContact O-N 3.17Å; F133-I143 HydrophobicContact CE2-CD1 3.47Å; F133-I143 VanDerWaalsContact CE2-CD1 3.47Å; F133-I143 HydrophobicContact CE2-CG1 3.81Å; F133-I143 HydrophobicContact CZ-CD1 3.89Å |
| 134 | P | 49.6 | Very low | 53.3 | Low | 110 Ų | 110 | 113.4 Ų | 113.4 | 71% | 0.714 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 140.7 | 174.1 | 26.4 | -30.2 | 0 | 0 | 0 | 111.8 | ||
| 135 | S | 54.2 | Low | 54.6 | Low | 64 Ų | 64 | 108.3 Ų | 108.3 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 163 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 110 | G137 T139 | S135-G137 PolarHBondContact O-N 3.44Å; S135-T139 WeakPolarHBondContact CB-OG1 3.43Å; S135-T139 PolarHBondContact N-O 3.04Å |
| 136 | K | 42.1 | Very low | 55.5 | Low | 202 Ų | 202 | 101.5 Ų | 101.5 | 88% | 0.878 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 133.5 | -177.4 | -88.7 | -171.6 | 174.9 | -177 | 0 | 111 | T139 | K136-T139 PolarHBondContact O-OG1 3.5Å; K136-T139 VanDerWaalsContact O-OG1 3.1Å |
| 137 | G | 43.3 | Very low | 56.2 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 71% | 0.711 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 46 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | S135 T139 | S135-G137 PolarHBondContact O-N 3.44Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 3.35Å |
| 138 | N | 49.8 | Very low | 56.7 | Low | 158 Ų | 158 | 101 Ų | 101 | 85% | 0.845 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 28.2 | -179.5 | -70.1 | -13.1 | 0 | 0 | 0 | 114.9 | ||
| 139 | T | 43.9 | Very low | 57.3 | Low | 69 Ų | 69 | 90.3 Ų | 90.3 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 157 | 178.3 | 57.4 | 0 | 0 | 0 | 0 | 112 | S135 K136 G137 | S135-T139 WeakPolarHBondContact CB-OG1 3.43Å; S135-T139 PolarHBondContact N-O 3.04Å; K136-T139 PolarHBondContact O-OG1 3.5Å; K136-T139 VanDerWaalsContact O-OG1 3.1Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 3.35Å |
| 140 | Y | 55.6 | Low | 57.4 | Low | 163 Ų | 163 | 83 Ų | 83 | 64% | 0.639 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.9 | -179.8 | -38.5 | -82.1 | 0 | 0 | 0 | 110.9 | F133 | F133-Y140 CarbonylContact O-C 3.5Å; F133-Y140 WeakPolarHBondContact O-CA 3.27Å |
| 141 | T | 62.2 | Low | 57.6 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.7 | 170.5 | -56.8 | 0 | 0 | 0 | 0 | 109 | C132 F133 | C132-T141 CarbonylContact C-O 3.52Å; C132-T141 VanDerWaalsContact CA-O 3.27Å; C132-T141 WeakPolarHBondContact CA-O 2.99Å; F133-T141 WeakPolarHBondContact CD2-O 3.33Å; F133-T141 PolarHBondContact N-O 2.02Å; F133-T141 PolarHBondContact O-N 3.17Å |
| 142 | C | 63.2 | Low | 57.8 | Low | 24 Ų | 24 | 85 Ų | 85 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.7 | -178.8 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | Q131 C132 | Q131-C142 CarbonylContact O-C 3.26Å; Q131-C142 WeakPolarHBondContact O-CA 3.02Å; C132-C142 HydrophobicContact CB-CB 4.12Å; C132-C142 WeakPolarHBondContact CB-SG 3.25Å; C132-C142 WeakPolarHBondContact SG-CB 3.48Å; C132-C142 CovalentContact SG-SG 2.04Å; C132-C142 PolarHBondContact SG-SG 3.45Å |
| 143 | I | 68.4 | Low | 58.1 | Low | 95 Ų | 95 | 83.4 Ų | 83.4 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.1 | 169.2 | -62 | 172.1 | 0 | 0 | 0 | 108 | A130 Q131 F133 | A130-I143 WeakPolarHBondContact CA-O 3.12Å; Q131-I143 HydrophobicContact CB-CB 4.33Å; Q131-I143 PolarHBondContact N-O 2.76Å; Q131-I143 PolarHBondContact O-N 2.03Å; F133-I143 HydrophobicContact CE2-CD1 3.47Å; F133-I143 VanDerWaalsContact CE2-CD1 3.47Å; F133-I143 HydrophobicContact CE2-CG1 3.81Å; F133-I143 HydrophobicContact CZ-CD1 3.89Å |
| 144 | C | 66 | Low | 58.7 | Low | 40 Ų | 40 | 84.1 Ų | 84.1 | 27% | 0.27 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -91 | 146.2 | -177 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | F148 C153 | C144-F148 HydrophobicContact CB-CB 4.33Å; C144-F148 VanDerWaalsContact CB-O 3.25Å; C144-F148 WeakPolarHBondContact CB-O 3.47Å; C144-C153 WeakPolarHBondContact CA-SG 3.29Å; C144-C153 HydrophobicContact CB-CB 3.66Å; C144-C153 WeakPolarHBondContact CB-SG 3.49Å; C144-C153 PolarHBondContact N-SG 3.01Å; C144-C153 WeakPolarHBondContact SG-CA 3.11Å; C144-C153 WeakPolarHBondContact SG-CB 3.26Å; C144-C153 CovalentContact SG-SG 2.03Å; C144-C153 PolarHBondContact SG-SG 2.03Å |
| 145 | P | 66.5 | Low | 59.3 | Low | 32 Ų | 32 | 84.6 Ų | 84.6 | 21% | 0.208 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 156.8 | 166 | -18.5 | 28.2 | 0 | 0 | 0 | 111.8 | R129 E147 F148 | R129-P145 HydrophobicContact CB-CG 3.74Å; R129-P145 VanDerWaalsContact O-CD 3.31Å; R129-P145 WeakPolarHBondContact O-CD 3.28Å; R129-P145 WeakPolarHBondContact O-CG 3.39Å; P145-E147 PolarHBondContact O-N 2.98Å; P145-F148 HydrophobicContact CB-CD2 4.18Å; P145-F148 HydrophobicContact CG-CD2 4.26Å; P145-F148 PolarHBondContact O-N 3.5Å |
| 146 | P | 59.4 | Low | 59.5 | Low | 105 Ų | 105 | 89.5 Ų | 89.5 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -11 | -175 | 20.7 | -32 | 0 | 0 | 0 | 116.2 | L175 | P146-L175 HydrophobicContact CB-CD2 3.91Š|
| 147 | E | 61.4 | Low | 60.1 | Low | 119 Ų | 119 | 83.6 Ų | 83.6 | 56% | 0.556 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -2.1 | 178 | -60.6 | -179.9 | -159.8 | 0 | 0 | 113.5 | P145 L157 | P145-E147 PolarHBondContact O-N 2.98Å; E147-L157 PolarHBondContact O-N 2.7Å |
| 148 | F | 64.2 | Low | 60.7 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 25% | 0.25 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.2 | -171.6 | -67.1 | -95.8 | 0 | 0 | 0 | 113.2 | C144 P145 C153 E155 | C144-F148 HydrophobicContact CB-CB 4.33Å; C144-F148 VanDerWaalsContact CB-O 3.25Å; C144-F148 WeakPolarHBondContact CB-O 3.47Å; P145-F148 HydrophobicContact CB-CD2 4.18Å; P145-F148 HydrophobicContact CG-CD2 4.26Å; P145-F148 PolarHBondContact O-N 3.5Å; F148-C153 HydrophobicContact CB-CB 4.42Å; F148-E155 CarbonylContact C-O 3.47Å; F148-E155 WeakPolarHBondContact CA-O 2.99Å |
| 149 | G | 62.1 | Low | 60.9 | Low | 14 Ų | 14 | 82.9 Ų | 82.9 | 14% | 0.144 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C153 D154 E155 | G149-C153 CarbonylContact O-C 3.45Å; G149-C153 VanDerWaalsContact O-C 3.26Å; G149-C153 WeakPolarHBondContact O-CA 3.49Å; G149-D154 PolarHBondContact O-N 3.41Å; G149-D154 VanDerWaalsContact O-N 3.08Å; G149-E155 PolarHBondContact N-O 3.45Å; G149-E155 WeakPolarHBondContact O-CB 3.28Å; G149-E155 PolarHBondContact O-N 3.17Å |
| 150 | G | 60.1 | Low | 61.8 | Low | 35 Ų | 35 | 81.7 Ų | 81.7 | 36% | 0.361 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 92.7 | 160.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L152 C153 | G150-L152 PolarHBondContact O-N 3.35Å; G150-C153 PolarHBondContact O-N 3.16Å; G150-C153 VanDerWaalsContact O-N 3.17Å |
| 151 | T | 60.9 | Low | 61.9 | Low | 121 Ų | 121 | 77.3 Ų | 77.3 | 74% | 0.742 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.6 | -179.7 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 152 | L | 65 | Low | 61.7 | Low | 76 Ų | 76 | 84.9 Ų | 84.9 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 11.3 | 178.6 | -64 | 174.3 | 0 | 0 | 0 | 112.8 | F127 G150 D154 | F127-L152 HydrophobicContact CE1-CB 4.46Å; G150-L152 PolarHBondContact O-N 3.35Å; L152-D154 VanDerWaalsContact C-N 3.29Å; L152-D154 PolarHBondContact O-N 3.34Å |
| 153 | C | 67.7 | Low | 61.5 | Low | 15 Ų | 15 | 86.4 Ų | 86.4 | 10% | 0.101 | 49% | 0.485 | C | S | . | . | S | Bend | trans | 59.8 | 35.9 | -177.8 | -49 | 0 | 0 | 0 | 0 | 114.3 | A130 C144 F148 G149 G150 | A130-C153 HydrophobicContact CB-CB 3.86Å; A130-C153 VanDerWaalsContact CB-SG 3.56Å; C144-C153 WeakPolarHBondContact CA-SG 3.29Å; C144-C153 HydrophobicContact CB-CB 3.66Å; C144-C153 WeakPolarHBondContact CB-SG 3.49Å; C144-C153 PolarHBondContact N-SG 3.01Å; C144-C153 WeakPolarHBondContact SG-CA 3.11Å; C144-C153 WeakPolarHBondContact SG-CB 3.26Å; C144-C153 CovalentContact SG-SG 2.03Å; C144-C153 PolarHBondContact SG-SG 2.03Å; F148-C153 HydrophobicContact CB-CB 4.42Å; G149-C153 CarbonylContact O-C 3.45Å; G149-C153 VanDerWaalsContact O-C 3.26Å; G149-C153 WeakPolarHBondContact O-CA 3.49Å; G150-C153 PolarHBondContact O-N 3.16Å; G150-C153 VanDerWaalsContact O-N 3.17Å |
| 154 | D | 67.8 | Low | 61.3 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 62% | 0.62 | 50% | 0.5 | S | S | * | . | trans | -97.9 | -10.7 | -174.8 | 53.8 | -38.5 | 0 | 0 | 0 | 114 | G149 L152 | G149-D154 PolarHBondContact O-N 3.41Å; G149-D154 VanDerWaalsContact O-N 3.08Å; L152-D154 VanDerWaalsContact C-N 3.29Å; L152-D154 PolarHBondContact O-N 3.34Å | ||
| 155 | E | 60.8 | Low | 61.8 | Low | 120 Ų | 120 | 90 Ų | 90 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 145.2 | 175.1 | -60.6 | -173.8 | 150 | 0 | 0 | 111.8 | F148 G149 | F148-E155 CarbonylContact C-O 3.47Å; F148-E155 WeakPolarHBondContact CA-O 2.99Å; G149-E155 PolarHBondContact N-O 3.45Å; G149-E155 WeakPolarHBondContact O-CB 3.28Å; G149-E155 PolarHBondContact O-N 3.17Å |
| 156 | K | 60.1 | Low | 62.2 | Low | 166 Ų | 166 | 94 Ų | 94 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.4 | 178 | -165.7 | -179.7 | -177.9 | -173.6 | 0 | 110 | ||
| 157 | L | 54.7 | Low | 62.5 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 134.6 | -177.1 | -69.6 | 160.2 | 0 | 0 | 0 | 111 | E147 Y178 | E147-L157 PolarHBondContact O-N 2.7Å; L157-Y178 HydrophobicContact CD1-CD1 4.15Å; L157-Y178 HydrophobicContact CD1-CE1 3.96Å |
| 158 | G | 54.2 | Low | 63 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 63% | 0.629 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 167.6 | -158.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 159 | D | 55.2 | Low | 63.4 | Low | 151 Ų | 151 | 91 Ų | 91 | 81% | 0.807 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 161 | -160.3 | -150.6 | -15 | 0 | 0 | 0 | 115.5 | G161 | D159-G161 PolarHBondContact O-N 3.16Š|
| 160 | C | 62.6 | Low | 64.2 | Low | 44 Ų | 44 | 94.2 Ų | 94.2 | 30% | 0.297 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -68.1 | 29.6 | 178.3 | -104.6 | 0 | 0 | 0 | 0 | 114.2 | C171 | C160-C171 HydrophobicContact CB-CB 3.93Å; C160-C171 WeakPolarHBondContact CB-SG 3.49Å; C160-C171 VanDerWaalsContact SG-C 3.59Å; C160-C171 WeakPolarHBondContact SG-CB 3.49Å; C160-C171 CovalentContact SG-SG 2.06Å; C160-C171 PolarHBondContact SG-SG 3.44Å |
| 161 | G | 56.9 | Low | 65 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 74% | 0.742 | 52% | 0.516 | S | S | * | . | trans | -89.5 | -7.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | D159 | D159-G161 PolarHBondContact O-N 3.16Š| ||
| 162 | R | 58.3 | Low | 65.7 | Low | 242 Ų | 242 | 94.7 Ų | 94.7 | 91% | 0.913 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -101.6 | -17.5 | -172.2 | -75.6 | -168.5 | -175.4 | -168.4 | 3.2 | 116.5 | ||
| 163 | I | 58.4 | Low | 65.8 | Low | 56 Ų | 56 | 95.8 Ų | 95.8 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | trans | -120.3 | 133.6 | -178.5 | -73.1 | -131 | 0 | 0 | 0 | 112.3 | Y180 | I163-Y180 HydrophobicContact CB-CD2 4.26Å; I163-Y180 HydrophobicContact CB-CE2 3.79Å; I163-Y180 HydrophobicContact CD1-CD2 4.48Å; I163-Y180 HydrophobicContact CD1-CE2 3.32Å; I163-Y180 WeakPolarHBondContact CD1-OH 3.39Å; I163-Y180 HydrophobicContact CG1-CD2 4.22Å; I163-Y180 HydrophobicContact CG1-CE1 4.42Å; I163-Y180 HydrophobicContact CG1-CE2 3.3Å; I163-Y180 VanDerWaalsContact CG1-CZ 3.41Å; I163-Y180 VanDerWaalsContact CG1-OH 3.27Å; I163-Y180 WeakPolarHBondContact CG1-OH 2.87Å; I163-Y180 HydrophobicContact CG2-CE2 4.26Å | ||
| 164 | K | 65.5 | Low | 65.4 | Low | 182 Ų | 182 | 96.4 Ų | 96.4 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | trans | -91.9 | 99.7 | 169.9 | -78.4 | -175.7 | 177.2 | 179.4 | 0 | 109.5 | F166 | K164-F166 WeakPolarHBondContact O-CD2 3.23Š| ||
| 165 | C | 75.1 | Confident | 64.7 | Low | 27 Ų | 27 | 97 Ų | 97 | 18% | 0.182 | 52% | 0.515 | C | S | . | . | trans | -70.4 | 132.9 | 167.4 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | S169 C182 | C165-S169 WeakPolarHBondContact CA-OG 3.12Å; C165-S169 WeakPolarHBondContact CB-OG 3.19Å; C165-S169 PolarHBondContact O-OG 2.95Å; C165-C182 VanDerWaalsContact CA-SG 3.56Å; C165-C182 HydrophobicContact CB-CB 3.57Å; C165-C182 WeakPolarHBondContact CB-SG 3.14Å; C165-C182 WeakPolarHBondContact SG-CB 3.15Å; C165-C182 CovalentContact SG-SG 2.03Å; C165-C182 PolarHBondContact SG-SG 3.29Å | ||
| 166 | F | 75.8 | Confident | 64.1 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -91 | 151.7 | -174.6 | -71.7 | -91.9 | 0 | 0 | 0 | 113.7 | K164 S169 S192 C193 | K164-F166 WeakPolarHBondContact O-CD2 3.23Å; F166-S169 PolarHBondContact N-OG 3.03Å; F166-S169 WeakPolarHBondContact O-CB 2.98Å; F166-S169 PolarHBondContact O-OG 2.92Å; F166-S192 WeakPolarHBondContact CB-O 3.13Å; F166-S192 WeakPolarHBondContact CD2-O 3.31Å; F166-S192 PolarHBondContact N-O 3.48Å; F166-C193 WeakPolarHBondContact O-CB 3Å |
| 167 | G | 65.5 | Low | 63.9 | Low | 37 Ų | 37 | 89.3 Ų | 89.3 | 38% | 0.381 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 29.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S169 P185 | G167-S169 VanDerWaalsContact C-N 3.31Å; G167-P185 WeakPolarHBondContact O-CG 3.24Å |
| 168 | N | 72.5 | Confident | 63.9 | Low | 162 Ų | 162 | 94.1 Ų | 94.1 | 87% | 0.866 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 21.5 | -172.6 | -67 | -8.7 | 0 | 0 | 0 | 114.9 | ||
| 169 | S | 72.2 | Confident | 64.1 | Low | 17 Ų | 17 | 94.2 Ų | 94.2 | 12% | 0.119 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 151.6 | 170.7 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | C165 F166 G167 D183 C193 | C165-S169 WeakPolarHBondContact CA-OG 3.12Å; C165-S169 WeakPolarHBondContact CB-OG 3.19Å; C165-S169 PolarHBondContact O-OG 2.95Å; F166-S169 PolarHBondContact N-OG 3.03Å; F166-S169 WeakPolarHBondContact O-CB 2.98Å; F166-S169 PolarHBondContact O-OG 2.92Å; G167-S169 VanDerWaalsContact C-N 3.31Å; S169-D183 WeakPolarHBondContact CA-O 3.2Å; S169-D183 WeakPolarHBondContact CB-O 3.2Å; S169-C193 WeakPolarHBondContact CB-SG 3.39Å |
| 170 | T | 79.7 | Confident | 64.8 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.5 | -177.5 | -47.8 | 0 | 0 | 0 | 0 | 111.5 | D183 | T170-D183 PolarHBondContact N-O 3.39Å; T170-D183 PolarHBondContact O-N 3.43Å |
| 171 | C | 76.7 | Confident | 65.4 | Low | 35 Ų | 35 | 94.7 Ų | 94.7 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 133.2 | 173 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | C160 | C160-C171 HydrophobicContact CB-CB 3.93Å; C160-C171 WeakPolarHBondContact CB-SG 3.49Å; C160-C171 VanDerWaalsContact SG-C 3.59Å; C160-C171 WeakPolarHBondContact SG-CB 3.49Å; C160-C171 CovalentContact SG-SG 2.06Å; C160-C171 PolarHBondContact SG-SG 3.44Å |
| 172 | R | 75.4 | Confident | 66.4 | Low | 130 Ų | 130 | 92 Ų | 92 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.7 | 175 | -67.9 | -165.6 | -173.5 | -134.4 | 11.2 | 112 | Y180 Y181 D183 | R172-Y180 CarbonylContact O-C 3.54Å; R172-Y180 VanDerWaalsContact O-CA 3.22Å; R172-Y180 WeakPolarHBondContact O-CA 3.03Å; R172-Y181 HydrophobicContact CB-CD1 4.15Å; R172-Y181 HydrophobicContact CB-CD2 4.49Å; R172-Y181 HydrophobicContact CB-CE1 3.62Å; R172-Y181 HydrophobicContact CB-CE2 4Å; R172-Y181 VanDerWaalsContact CD-OH 3.28Å; R172-Y181 WeakPolarHBondContact CD-OH 2.94Å; R172-Y181 HydrophobicContact CG-CE2 4.46Å; R172-Y181 PolarHBondContact N-O 2.8Å; R172-Y181 PolarHBondContact O-N 2.8Å; R172-D183 IonicContact CZ-OD2 3.26Å; R172-D183 VanDerWaalsContact CZ-OD2 3.26Å; R172-D183 IonicContact NE-OD2 2.66Å; R172-D183 PolarHBondContact NE-OD2 2.98Å; R172-D183 IonicContact NH2-OD2 3.06Å; R172-D183 PolarHBondContact NH2-OD2 3.24Å |
| 173 | L | 66.5 | Low | 67.3 | Low | 99 Ų | 99 | 83.3 Ų | 83.3 | 52% | 0.518 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133.5 | 171.6 | -88 | 140.6 | 0 | 0 | 0 | 111 | ||
| 174 | N | 59.3 | Low | 68 | Low | 29 Ų | 29 | 83 Ų | 83 | 16% | 0.155 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 100.9 | 170.8 | -168.7 | -14.6 | 0 | 0 | 0 | 110 | A176 N177 Y178 T179 Y181 | N174-A176 PolarHBondContact O-N 3.45Å; N174-A176 VanDerWaalsContact O-N 3.09Å; N174-A176 WeakPolarHBondContact OD1-CB 3.35Å; N174-A176 PolarHBondContact OD1-N 2.03Å; N174-N177 VanDerWaalsContact CB-OD1 3.3Å; N174-N177 WeakPolarHBondContact CB-OD1 3.33Å; N174-N177 PolarHBondContact ND2-OD1 2.83Å; N174-N177 VanDerWaalsContact ND2-OD1 3.09Å; N174-N177 PolarHBondContact O-OD1 3.38Å; N174-N177 PolarHBondContact OD1-OD1 3.22Å; N174-Y178 WeakPolarHBondContact O-CA 2.99Å; N174-Y178 PolarHBondContact O-N 3.29Å; N174-T179 WeakPolarHBondContact CA-O 3.06Å; N174-T179 WeakPolarHBondContact CB-O 3.4Å; N174-T179 PolarHBondContact N-O 2.84Å; N174-T179 PolarHBondContact O-N 3.41Å; N174-Y181 HydrophobicContact CB-CD1 4.3Å |
| 175 | L | 54.2 | Low | 68.3 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 68% | 0.675 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.2 | 178.6 | -69.9 | 144.3 | 0 | 0 | 0 | 113.8 | P146 | P146-L175 HydrophobicContact CB-CD2 3.91Š|
| 176 | A | 46.6 | Very low | 67.7 | Low | 43 Ų | 43 | 77.3 Ų | 77.3 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -36.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | N174 K242 | N174-A176 PolarHBondContact O-N 3.45Å; N174-A176 VanDerWaalsContact O-N 3.09Å; N174-A176 WeakPolarHBondContact OD1-CB 3.35Å; N174-A176 PolarHBondContact OD1-N 2.03Å; A176-K242 VanDerWaalsContact CA-NZ 3.31Å |
| 177 | N | 57.6 | Low | 67.3 | Low | 81 Ų | 81 | 73.2 Ų | 73.2 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 10.3 | -165.2 | 59.2 | -11 | 0 | 0 | 0 | 110.9 | N174 T179 | N174-N177 VanDerWaalsContact CB-OD1 3.3Å; N174-N177 WeakPolarHBondContact CB-OD1 3.33Å; N174-N177 PolarHBondContact ND2-OD1 2.83Å; N174-N177 VanDerWaalsContact ND2-OD1 3.09Å; N174-N177 PolarHBondContact O-OD1 3.38Å; N174-N177 PolarHBondContact OD1-OD1 3.22Å; N177-T179 PolarHBondContact ND2-OG1 2.73Å; N177-T179 PolarHBondContact O-N 3.43Å; N177-T179 PolarHBondContact OD1-N 2.77Å; N177-T179 PolarHBondContact OD1-OG1 3.28Å |
| 178 | Y | 54.4 | Low | 67.6 | Low | 178 Ų | 178 | 75.7 Ų | 75.7 | 70% | 0.698 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 29.6 | 177.6 | -50 | -85.5 | 0 | 0 | 0 | 113.7 | L157 N174 | L157-Y178 HydrophobicContact CD1-CD1 4.15Å; L157-Y178 HydrophobicContact CD1-CE1 3.96Å; N174-Y178 WeakPolarHBondContact O-CA 2.99Å; N174-Y178 PolarHBondContact O-N 3.29Å |
| 179 | T | 57.6 | Low | 67.6 | Low | 63 Ų | 63 | 72 Ų | 72 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -179 | 174.3 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | N174 N177 | N174-T179 WeakPolarHBondContact CA-O 3.06Å; N174-T179 WeakPolarHBondContact CB-O 3.4Å; N174-T179 PolarHBondContact N-O 2.84Å; N174-T179 PolarHBondContact O-N 3.41Å; N177-T179 PolarHBondContact ND2-OG1 2.73Å; N177-T179 PolarHBondContact O-N 3.43Å; N177-T179 PolarHBondContact OD1-N 2.77Å; N177-T179 PolarHBondContact OD1-OG1 3.28Å |
| 180 | Y | 70 | Confident | 67.4 | Low | 115 Ų | 115 | 72.7 Ų | 72.7 | 45% | 0.451 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 162.2 | 173.3 | 57.4 | -96 | 0 | 0 | 0 | 111 | I163 R172 | I163-Y180 HydrophobicContact CB-CD2 4.26Å; I163-Y180 HydrophobicContact CB-CE2 3.79Å; I163-Y180 HydrophobicContact CD1-CD2 4.48Å; I163-Y180 HydrophobicContact CD1-CE2 3.32Å; I163-Y180 WeakPolarHBondContact CD1-OH 3.39Å; I163-Y180 HydrophobicContact CG1-CD2 4.22Å; I163-Y180 HydrophobicContact CG1-CE1 4.42Å; I163-Y180 HydrophobicContact CG1-CE2 3.3Å; I163-Y180 VanDerWaalsContact CG1-CZ 3.41Å; I163-Y180 VanDerWaalsContact CG1-OH 3.27Å; I163-Y180 WeakPolarHBondContact CG1-OH 2.87Å; I163-Y180 HydrophobicContact CG2-CE2 4.26Å; R172-Y180 CarbonylContact O-C 3.54Å; R172-Y180 VanDerWaalsContact O-CA 3.22Å; R172-Y180 WeakPolarHBondContact O-CA 3.03Å |
| 181 | Y | 75 | Confident | 67 | Low | 91 Ų | 91 | 77.3 Ų | 77.3 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 161.3 | 174.3 | 68.5 | -84.4 | 0 | 0 | 0 | 112.3 | R172 N174 D183 | R172-Y181 HydrophobicContact CB-CD1 4.15Å; R172-Y181 HydrophobicContact CB-CD2 4.49Å; R172-Y181 HydrophobicContact CB-CE1 3.62Å; R172-Y181 HydrophobicContact CB-CE2 4Å; R172-Y181 VanDerWaalsContact CD-OH 3.28Å; R172-Y181 WeakPolarHBondContact CD-OH 2.94Å; R172-Y181 HydrophobicContact CG-CE2 4.46Å; R172-Y181 PolarHBondContact N-O 2.8Å; R172-Y181 PolarHBondContact O-N 2.8Å; N174-Y181 HydrophobicContact CB-CD1 4.3Å; Y181-D183 WeakPolarHBondContact CE2-OD1 3.24Å |
| 182 | C | 79.2 | Confident | 67 | Low | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.9 | 179.4 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | C165 C184 C193 | C165-C182 VanDerWaalsContact CA-SG 3.56Å; C165-C182 HydrophobicContact CB-CB 3.57Å; C165-C182 WeakPolarHBondContact CB-SG 3.14Å; C165-C182 WeakPolarHBondContact SG-CB 3.15Å; C165-C182 CovalentContact SG-SG 2.03Å; C165-C182 PolarHBondContact SG-SG 3.29Å; C182-C184 PolarHBondContact O-N 2.9Å; C182-C193 VanDerWaalsContact CB-SG 3.59Å |
| 183 | D | 75.3 | Confident | 67.2 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 101.8 | 169.3 | -92.2 | -12.9 | 0 | 0 | 0 | 109.7 | S169 T170 R172 Y181 | S169-D183 WeakPolarHBondContact CA-O 3.2Å; S169-D183 WeakPolarHBondContact CB-O 3.2Å; T170-D183 PolarHBondContact N-O 3.39Å; T170-D183 PolarHBondContact O-N 3.43Å; R172-D183 IonicContact CZ-OD2 3.26Å; R172-D183 VanDerWaalsContact CZ-OD2 3.26Å; R172-D183 IonicContact NE-OD2 2.66Å; R172-D183 PolarHBondContact NE-OD2 2.98Å; R172-D183 IonicContact NH2-OD2 3.06Å; R172-D183 PolarHBondContact NH2-OD2 3.24Å; Y181-D183 WeakPolarHBondContact CE2-OD1 3.24Å |
| 184 | C | 73.6 | Confident | 67.8 | Low | 49 Ų | 49 | 70.4 Ų | 70.4 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 134.2 | -178.7 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | C182 Y188 C193 | C182-C184 PolarHBondContact O-N 2.9Å; C184-Y188 VanDerWaalsContact CB-O 3.27Å; C184-Y188 WeakPolarHBondContact CB-O 3.16Å; C184-C193 WeakPolarHBondContact CA-SG 3.38Å; C184-C193 HydrophobicContact CB-CB 3.67Å; C184-C193 WeakPolarHBondContact CB-SG 3.41Å; C184-C193 PolarHBondContact N-SG 2.78Å; C184-C193 WeakPolarHBondContact SG-CA 3.38Å; C184-C193 WeakPolarHBondContact SG-CB 3Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 2.83Å |
| 185 | P | 71.5 | Confident | 68.5 | Low | 46 Ų | 46 | 74.2 Ų | 74.2 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 167.8 | 173.9 | 18.4 | -16.9 | 0 | 0 | 0 | 112.6 | G167 N187 Y188 | G167-P185 WeakPolarHBondContact O-CG 3.24Å; P185-N187 PolarHBondContact O-N 3.38Å; P185-Y188 HydrophobicContact CG-CD2 4.27Å; P185-Y188 WeakPolarHBondContact O-CB 3.43Å; P185-Y188 PolarHBondContact O-N 3.4Å |
| 186 | A | 62.3 | Low | 69.3 | Low | 45 Ų | 45 | 76.3 Ų | 76.3 | 37% | 0.372 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 132.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y188 V217 | A186-Y188 VanDerWaalsContact C-N 3.34Å; A186-V217 HydrophobicContact CB-CG1 3.83Å |
| 187 | N | 67.8 | Low | 70.1 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -8.6 | -170.8 | -45.2 | -72 | 0 | 0 | 0 | 116.6 | P185 R196 A197 M219 | P185-N187 PolarHBondContact O-N 3.38Å; N187-R196 HydrophobicContact CB-CG 3.73Å; N187-R196 CarbonylContact O-C 3.42Å; N187-R196 WeakPolarHBondContact O-CA 3.21Å; N187-R196 VanDerWaalsContact O-CG 3.31Å; N187-R196 WeakPolarHBondContact O-CG 3Å; N187-A197 PolarHBondContact O-N 2.92Å; N187-A197 PolarHBondContact OD1-O 3.37Å; N187-M219 WeakPolarHBondContact OD1-CB 3.42Å; N187-M219 PolarHBondContact OD1-O 2.9Å |
| 188 | Y | 72.9 | Confident | 70.3 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 35% | 0.345 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.8 | -179.7 | -69.9 | -95.5 | 0 | 0 | 0 | 113.2 | C184 P185 A186 C193 K195 | C184-Y188 VanDerWaalsContact CB-O 3.27Å; C184-Y188 WeakPolarHBondContact CB-O 3.16Å; P185-Y188 HydrophobicContact CG-CD2 4.27Å; P185-Y188 WeakPolarHBondContact O-CB 3.43Å; P185-Y188 PolarHBondContact O-N 3.4Å; A186-Y188 VanDerWaalsContact C-N 3.34Å; Y188-C193 WeakPolarHBondContact CD1-O 3.15Å; Y188-K195 CarbonylContact C-O 3.57Å; Y188-K195 WeakPolarHBondContact CA-O 3.18Å |
| 189 | Y | 72 | Confident | 71.1 | Confident | 84 Ų | 84 | 72 Ų | 72 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 166.3 | 178.4 | 70.2 | -81.4 | 0 | 0 | 0 | 111.5 | C193 E194 K195 A197 | Y189-C193 CarbonylContact O-C 3.4Å; Y189-E194 PolarHBondContact O-N 3.34Å; Y189-K195 HydrophobicContact CD1-CB 3.77Å; Y189-K195 WeakPolarHBondContact CD1-O 3.25Å; Y189-K195 HydrophobicContact CD2-CB 3.89Å; Y189-K195 HydrophobicContact CD2-CD 4.12Å; Y189-K195 HydrophobicContact CE1-CB 3.45Å; Y189-K195 VanDerWaalsContact CE1-CB 3.45Å; Y189-K195 HydrophobicContact CE2-CB 3.58Å; Y189-K195 HydrophobicContact CE2-CD 3.5Å; Y189-K195 VanDerWaalsContact CE2-CD 3.5Å; Y189-K195 HydrophobicContact CE2-CG 4.14Å; Y189-K195 HydrophobicContact CG-CB 3.97Å; Y189-K195 PolarHBondContact N-O 3.14Å; Y189-K195 WeakPolarHBondContact O-CA 3.16Å; Y189-K195 WeakPolarHBondContact O-CB 2.99Å; Y189-K195 PolarHBondContact O-N 2.97Å; Y189-A197 HydrophobicContact CD1-CB 4.22Å; Y189-A197 HydrophobicContact CE1-CB 3.73Å |
| 190 | G | 68.6 | Low | 71.7 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 113.4 | 164.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S192 C193 E194 | G190-S192 PolarHBondContact O-N 2.78Å; G190-C193 PolarHBondContact O-N 3.27Å; G190-C193 VanDerWaalsContact O-N 3.14Å; G190-E194 WeakPolarHBondContact CA-OE1 3.16Å |
| 191 | E | 70.4 | Confident | 71.6 | Confident | 180 Ų | 180 | 67.5 Ų | 67.5 | 84% | 0.841 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.9 | -176.6 | -80.7 | -166.4 | 153.8 | 0 | 0 | 113 | E194 | E191-E194 PolarHBondContact N-OE2 2.93Š|
| 192 | S | 77.1 | Confident | 71.3 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 15.5 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 112 | F166 G190 E194 | F166-S192 WeakPolarHBondContact CB-O 3.13Å; F166-S192 WeakPolarHBondContact CD2-O 3.31Å; F166-S192 PolarHBondContact N-O 3.48Å; G190-S192 PolarHBondContact O-N 2.78Å; S192-E194 WeakPolarHBondContact CA-OE2 3.19Å; S192-E194 PolarHBondContact N-OE2 2.04Å |
| 193 | C | 79.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 63.1 | 36.1 | -175.3 | -49.2 | 0 | 0 | 0 | 0 | 114.6 | F166 S169 C182 C184 Y188 Y189 G190 | F166-C193 WeakPolarHBondContact O-CB 3Å; S169-C193 WeakPolarHBondContact CB-SG 3.39Å; C182-C193 VanDerWaalsContact CB-SG 3.59Å; C184-C193 WeakPolarHBondContact CA-SG 3.38Å; C184-C193 HydrophobicContact CB-CB 3.67Å; C184-C193 WeakPolarHBondContact CB-SG 3.41Å; C184-C193 PolarHBondContact N-SG 2.78Å; C184-C193 WeakPolarHBondContact SG-CA 3.38Å; C184-C193 WeakPolarHBondContact SG-CB 3Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 2.83Å; Y188-C193 WeakPolarHBondContact CD1-O 3.15Å; Y189-C193 CarbonylContact O-C 3.4Å; G190-C193 PolarHBondContact O-N 3.27Å; G190-C193 VanDerWaalsContact O-N 3.14Å |
| 194 | E | 80.1 | Confident | 71.1 | Confident | 90 Ų | 90 | 76.9 Ų | 76.9 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | trans | -87.3 | -12.3 | -171.5 | 71.7 | -71.1 | 166.5 | 0 | 0 | 115.7 | Y189 G190 E191 S192 | Y189-E194 PolarHBondContact O-N 3.34Å; G190-E194 WeakPolarHBondContact CA-OE1 3.16Å; E191-E194 PolarHBondContact N-OE2 2.93Å; S192-E194 WeakPolarHBondContact CA-OE2 3.19Å; S192-E194 PolarHBondContact N-OE2 2.04Å | ||
| 195 | K | 72.5 | Confident | 71.5 | Confident | 108 Ų | 108 | 75.2 Ų | 75.2 | 47% | 0.47 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 154.1 | -174.6 | -53.7 | -177.8 | -178.7 | 175.1 | 0 | 112.4 | Y188 Y189 | Y188-K195 CarbonylContact C-O 3.57Å; Y188-K195 WeakPolarHBondContact CA-O 3.18Å; Y189-K195 HydrophobicContact CD1-CB 3.77Å; Y189-K195 WeakPolarHBondContact CD1-O 3.25Å; Y189-K195 HydrophobicContact CD2-CB 3.89Å; Y189-K195 HydrophobicContact CD2-CD 4.12Å; Y189-K195 HydrophobicContact CE1-CB 3.45Å; Y189-K195 VanDerWaalsContact CE1-CB 3.45Å; Y189-K195 HydrophobicContact CE2-CB 3.58Å; Y189-K195 HydrophobicContact CE2-CD 3.5Å; Y189-K195 VanDerWaalsContact CE2-CD 3.5Å; Y189-K195 HydrophobicContact CE2-CG 4.14Å; Y189-K195 HydrophobicContact CG-CB 3.97Å; Y189-K195 PolarHBondContact N-O 3.14Å; Y189-K195 WeakPolarHBondContact O-CA 3.16Å; Y189-K195 WeakPolarHBondContact O-CB 2.99Å; Y189-K195 PolarHBondContact O-N 2.97Å |
| 196 | R | 71.6 | Confident | 71.9 | Confident | 174 Ų | 174 | 76.6 Ų | 76.6 | 66% | 0.657 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | -176.5 | -161.2 | -179.5 | -178.9 | -167.9 | -0 | 114.5 | N187 | N187-R196 HydrophobicContact CB-CG 3.73Å; N187-R196 CarbonylContact O-C 3.42Å; N187-R196 WeakPolarHBondContact O-CA 3.21Å; N187-R196 VanDerWaalsContact O-CG 3.31Å; N187-R196 WeakPolarHBondContact O-CG 3Å |
| 197 | A | 63.9 | Low | 72.6 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | trans | -147.2 | 147 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N187 Y189 P201 | N187-A197 PolarHBondContact O-N 2.92Å; N187-A197 PolarHBondContact OD1-O 3.37Å; Y189-A197 HydrophobicContact CD1-CB 4.22Å; Y189-A197 HydrophobicContact CE1-CB 3.73Å; A197-P201 HydrophobicContact CB-CG 3.75Å | ||
| 198 | S | 62.6 | Low | 73.1 | Confident | 86 Ų | 86 | 82 Ų | 82 | 60% | 0.601 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -109.9 | -9.8 | -174 | 54 | 0 | 0 | 0 | 0 | 115.8 | ||
| 199 | T | 70.6 | Confident | 73.4 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 64% | 0.638 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -132.9 | 157.8 | 172.9 | 47.9 | 0 | 0 | 0 | 0 | 108.3 | P201 F221 | T199-P201 WeakPolarHBondContact O-CD 3.15Å; T199-F221 WeakPolarHBondContact O-CZ 3.47Å |
| 200 | C | 69.9 | Low | 74 | Confident | 48 Ų | 48 | 81.5 Ų | 81.5 | 32% | 0.324 | 42% | 0.424 | S | S | . | . | trans | -54.3 | 110.9 | 179.3 | -89.7 | 0 | 0 | 0 | 0 | 108.4 | C211 F221 | C200-C211 HydrophobicContact CB-CB 3.9Å; C200-C211 WeakPolarHBondContact CB-SG 3.44Å; C200-C211 WeakPolarHBondContact SG-CB 3.5Å; C200-C211 CovalentContact SG-SG 2.05Å; C200-C211 PolarHBondContact SG-SG 3.17Å; C200-F221 HydrophobicContact CB-CD1 4.17Å; C200-F221 HydrophobicContact CB-CE1 4.35Å; C200-F221 WeakPolarHBondContact SG-CD1 3.46Å | ||
| 201 | P | 67.4 | Low | 74.7 | Confident | 35 Ų | 35 | 81.6 Ų | 81.6 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | trans | -63.6 | 146.6 | 178.7 | -18.4 | 29.8 | 0 | 0 | 0 | 110.6 | A197 T199 N203 Y204 | A197-P201 HydrophobicContact CB-CG 3.75Å; T199-P201 WeakPolarHBondContact O-CD 3.15Å; P201-N203 PolarHBondContact O-N 3.1Å; P201-Y204 HydrophobicContact CG-CD2 4.25Å; P201-Y204 VanDerWaalsContact O-CB 3.26Å; P201-Y204 WeakPolarHBondContact O-CB 3.4Å; P201-Y204 PolarHBondContact O-N 2.03Å | ||
| 202 | E | 70 | Confident | 75.2 | Confident | 184 Ų | 184 | 74.5 Ų | 74.5 | 86% | 0.86 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.5 | 166.3 | -81.3 | -174.6 | 157.6 | 0 | 0 | 109.4 | Y204 | E202-Y204 VanDerWaalsContact C-N 3.27Å; E202-Y204 PolarHBondContact O-N 2.75Å |
| 203 | N | 70.3 | Confident | 75.1 | Confident | 136 Ų | 136 | 78.1 Ų | 78.1 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 18.8 | -175.8 | -48.8 | -50.7 | 0 | 0 | 0 | 115.8 | P201 C205 | P201-N203 PolarHBondContact O-N 3.1Å; N203-C205 VanDerWaalsContact C-N 3.33Å; N203-C205 PolarHBondContact O-N 3.41Å |
| 204 | Y | 79.4 | Confident | 74.5 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -62.2 | -40.3 | 172.7 | 178 | -96.8 | 0 | 0 | 0 | 112.8 | P201 E202 C211 F221 Q233 | P201-Y204 HydrophobicContact CG-CD2 4.25Å; P201-Y204 VanDerWaalsContact O-CB 3.26Å; P201-Y204 WeakPolarHBondContact O-CB 3.4Å; P201-Y204 PolarHBondContact O-N 2.03Å; E202-Y204 VanDerWaalsContact C-N 3.27Å; E202-Y204 PolarHBondContact O-N 2.75Å; Y204-C211 VanDerWaalsContact CD1-SG 3.59Å; Y204-F221 HydrophobicContact CD1-CB 4.05Å; Y204-F221 HydrophobicContact CE1-CB 3.47Å; Y204-F221 VanDerWaalsContact CE1-CB 3.47Å; Y204-F221 HydrophobicContact CE1-CG 4.38Å; Y204-F221 HydrophobicContact CE2-CD2 4.29Å; Y204-Q233 WeakPolarHBondContact O-CB 3.46Å; Y204-Q233 WeakPolarHBondContact O-CG 3.22Å; Y204-Q233 PolarHBondContact O-NE2 3.35Å |
| 205 | C | 81.9 | Confident | 73.9 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -99.2 | 129.8 | 171.5 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | N203 A209 C211 C223 | N203-C205 VanDerWaalsContact C-N 3.33Å; N203-C205 PolarHBondContact O-N 3.41Å; C205-A209 HydrophobicContact CB-CB 3.82Å; C205-A209 VanDerWaalsContact CB-O 3.27Å; C205-A209 WeakPolarHBondContact CB-O 3.46Å; C205-C211 WeakPolarHBondContact SG-CA 3.37Å; C205-C211 WeakPolarHBondContact SG-CB 3.09Å; C205-C223 WeakPolarHBondContact CA-SG 3.34Å; C205-C223 HydrophobicContact CB-CB 3.82Å; C205-C223 WeakPolarHBondContact CB-SG 3.42Å; C205-C223 WeakPolarHBondContact SG-CA 3.06Å; C205-C223 WeakPolarHBondContact SG-CB 3.45Å; C205-C223 CovalentContact SG-SG 2.02Å; C205-C223 PolarHBondContact SG-SG 2.73Å |
| 206 | L | 79.1 | Confident | 73.4 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 39% | 0.387 | 45% | 0.448 | S | S | . | . | trans | -89.5 | 168.5 | 178 | -56.7 | -178.1 | 0 | 0 | 0 | 110.9 | D208 A209 Q233 | L206-D208 PolarHBondContact O-N 3.47Å; L206-A209 WeakPolarHBondContact O-CB 3.39Å; L206-A209 PolarHBondContact O-N 2.97Å; L206-Q233 PolarHBondContact N-O 3.37Å | ||
| 207 | N | 77.7 | Confident | 72.7 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 44 | 173.1 | -56 | -53.6 | 0 | 0 | 0 | 114.4 | A209 F229 C234 | N207-A209 PolarHBondContact O-N 3.04Å; N207-A209 VanDerWaalsContact O-N 3.1Å; N207-F229 HydrophobicContact CB-CD1 3.88Å; N207-F229 HydrophobicContact CB-CD2 3.94Å; N207-F229 HydrophobicContact CB-CE1 3.83Å; N207-F229 HydrophobicContact CB-CE2 3.9Å; N207-F229 HydrophobicContact CB-CG 3.93Å; N207-F229 HydrophobicContact CB-CZ 3.84Å; N207-F229 WeakPolarHBondContact ND2-CD1 3.44Å; N207-F229 WeakPolarHBondContact ND2-CE1 3.3Å; N207-C234 PolarHBondContact ND2-O 2.8Å |
| 208 | D | 77.6 | Confident | 72.1 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 66% | 0.663 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 24.4 | -177.5 | -60.1 | -32.4 | 0 | 0 | 0 | 114.4 | L206 R226 | L206-D208 PolarHBondContact O-N 3.47Å; D208-R226 VanDerWaalsContact CB-CZ 3.48Å; D208-R226 IonicContact OD2-CZ 3.87Å; D208-R226 IonicContact OD2-NH1 2.65Å; D208-R226 PolarHBondContact OD2-NH1 2.04Å; D208-R226 IonicContact OD2-NH2 3.24Å; D208-R226 PolarHBondContact OD2-NH2 3.22Å |
| 209 | A | 79.2 | Confident | 71.9 | Confident | 14 Ų | 14 | 81.4 Ų | 81.4 | 12% | 0.116 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 143.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C205 L206 N207 H224 C234 | C205-A209 HydrophobicContact CB-CB 3.82Å; C205-A209 VanDerWaalsContact CB-O 3.27Å; C205-A209 WeakPolarHBondContact CB-O 3.46Å; L206-A209 WeakPolarHBondContact O-CB 3.39Å; L206-A209 PolarHBondContact O-N 2.97Å; N207-A209 PolarHBondContact O-N 3.04Å; N207-A209 VanDerWaalsContact O-N 3.1Å; A209-H224 WeakPolarHBondContact CA-O 3.35Å; A209-H224 WeakPolarHBondContact CB-O 3.47Å; A209-C234 HydrophobicContact CB-CB 3.71Å; A209-C234 WeakPolarHBondContact CB-SG 3.49Å |
| 210 | K | 84.4 | Confident | 71.4 | Confident | 147 Ų | 147 | 77 Ų | 77 | 64% | 0.639 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.8 | -175.8 | -173.2 | 179.3 | -178.3 | 179.5 | 0 | 110.7 | H224 | K210-H224 HydrophobicContact CB-CB 4.31Å; K210-H224 PolarHBondContact N-O 2.77Å; K210-H224 PolarHBondContact O-N 2.8Å |
| 211 | C | 83.5 | Confident | 71.6 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130 | 174 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | C200 Y204 C205 Q222 | C200-C211 HydrophobicContact CB-CB 3.9Å; C200-C211 WeakPolarHBondContact CB-SG 3.44Å; C200-C211 WeakPolarHBondContact SG-CB 3.5Å; C200-C211 CovalentContact SG-SG 2.05Å; C200-C211 PolarHBondContact SG-SG 3.17Å; Y204-C211 VanDerWaalsContact CD1-SG 3.59Å; C205-C211 WeakPolarHBondContact SG-CA 3.37Å; C205-C211 WeakPolarHBondContact SG-CB 3.09Å; C211-Q222 CarbonylContact C-O 3.41Å; C211-Q222 WeakPolarHBondContact CA-O 3.07Å |
| 212 | T | 82.2 | Confident | 72.2 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151 | 174.2 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | S214 F221 Q222 H224 | T212-S214 PolarHBondContact O-N 3.47Å; T212-F221 CarbonylContact O-C 3.46Å; T212-F221 WeakPolarHBondContact O-CA 3.37Å; T212-Q222 PolarHBondContact N-O 2.75Å; T212-Q222 PolarHBondContact O-N 2.82Å; T212-Q222 PolarHBondContact OG1-O 3.11Å; T212-H224 PolarHBondContact OG1-NE2 2.92Å |
| 213 | P | 73.9 | Confident | 72.9 | Confident | 105 Ų | 105 | 70.6 Ų | 70.6 | 68% | 0.682 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 132.4 | 169 | -22.1 | 33.2 | 0 | 0 | 0 | 110.4 | ||
| 214 | S | 67.7 | Low | 73.6 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | trans | -63.4 | 126.6 | -179.3 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | T212 V216 V217 G220 | T212-S214 PolarHBondContact O-N 3.47Å; S214-V216 PolarHBondContact O-N 3.38Å; S214-V216 PolarHBondContact OG-N 3.28Å; S214-V217 PolarHBondContact OG-N 3.21Å; S214-G220 PolarHBondContact N-O 2.78Å | ||
| 215 | P | 66.6 | Low | 73.7 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 70% | 0.695 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.6 | -12.6 | 175 | 28.4 | -31.5 | 0 | 0 | 0 | 112.6 | Q222 | P215-Q222 VanDerWaalsContact CD-OE1 3.26Š|
| 216 | V | 61.6 | Low | 73.5 | Confident | 128 Ų | 128 | 74.9 Ų | 74.9 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -100.2 | -25.7 | -174.2 | -168.8 | 0 | 0 | 0 | 0 | 112 | S214 | S214-V216 PolarHBondContact O-N 3.38Å; S214-V216 PolarHBondContact OG-N 3.28Å |
| 217 | V | 56.7 | Low | 73 | Confident | 68 Ų | 68 | 78 Ų | 78 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -131.1 | 117 | -173.7 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | A186 S214 M219 G220 | A186-V217 HydrophobicContact CB-CG1 3.83Å; S214-V217 PolarHBondContact OG-N 3.21Å; V217-M219 PolarHBondContact O-N 3.48Å; V217-G220 PolarHBondContact O-N 3.43Å |
| 218 | A | 51.7 | Low | 72.4 | Confident | 94 Ų | 94 | 76.4 Ų | 76.4 | 78% | 0.777 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 122.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 219 | M | 58.3 | Low | 72.2 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 61% | 0.611 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 27.2 | -172.2 | -45 | -171.3 | 107.4 | 0 | 0 | 115.4 | N187 V217 | N187-M219 WeakPolarHBondContact OD1-CB 3.42Å; N187-M219 PolarHBondContact OD1-O 2.9Å; V217-M219 PolarHBondContact O-N 3.48Å |
| 220 | G | 61.3 | Low | 72 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | trans | -96.6 | 164.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S214 V217 | S214-G220 PolarHBondContact N-O 2.78Å; V217-G220 PolarHBondContact O-N 3.43Å | ||
| 221 | F | 73.5 | Confident | 71.3 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 17% | 0.167 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.4 | 174.6 | -51.7 | -64.3 | 0 | 0 | 0 | 110.9 | T199 C200 Y204 T212 | T199-F221 WeakPolarHBondContact O-CZ 3.47Å; C200-F221 HydrophobicContact CB-CD1 4.17Å; C200-F221 HydrophobicContact CB-CE1 4.35Å; C200-F221 WeakPolarHBondContact SG-CD1 3.46Å; Y204-F221 HydrophobicContact CD1-CB 4.05Å; Y204-F221 HydrophobicContact CE1-CB 3.47Å; Y204-F221 VanDerWaalsContact CE1-CB 3.47Å; Y204-F221 HydrophobicContact CE1-CG 4.38Å; Y204-F221 HydrophobicContact CE2-CD2 4.29Å; T212-F221 CarbonylContact O-C 3.46Å; T212-F221 WeakPolarHBondContact O-CA 3.37Å |
| 222 | Q | 80.3 | Confident | 70.7 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135 | 176.6 | 179 | 175.9 | 0.1 | 0 | 0 | 109.4 | C211 T212 P215 | C211-Q222 CarbonylContact C-O 3.41Å; C211-Q222 WeakPolarHBondContact CA-O 3.07Å; T212-Q222 PolarHBondContact N-O 2.75Å; T212-Q222 PolarHBondContact O-N 2.82Å; T212-Q222 PolarHBondContact OG1-O 3.11Å; P215-Q222 VanDerWaalsContact CD-OE1 3.26Å |
| 223 | C | 84.9 | Confident | 70.6 | Confident | 16 Ų | 16 | 75.6 Ų | 75.6 | 11% | 0.108 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.6 | 173.2 | -63.2 | 0 | 0 | 0 | 0 | 111 | C205 P232 C234 | C205-C223 WeakPolarHBondContact CA-SG 3.34Å; C205-C223 HydrophobicContact CB-CB 3.82Å; C205-C223 WeakPolarHBondContact CB-SG 3.42Å; C205-C223 WeakPolarHBondContact SG-CA 3.06Å; C205-C223 WeakPolarHBondContact SG-CB 3.45Å; C205-C223 CovalentContact SG-SG 2.02Å; C205-C223 PolarHBondContact SG-SG 2.73Å; C223-P232 PolarHBondContact SG-O 3.09Å; C223-P232 VanDerWaalsContact SG-O 3.32Å; C223-C234 WeakPolarHBondContact CB-SG 3.43Å |
| 224 | H | 84.8 | Confident | 70.9 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 43% | 0.426 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 99.5 | 168.3 | -62.1 | -62.8 | 0 | 0 | 0 | 109.3 | A209 K210 T212 | A209-H224 WeakPolarHBondContact CA-O 3.35Å; A209-H224 WeakPolarHBondContact CB-O 3.47Å; K210-H224 HydrophobicContact CB-CB 4.31Å; K210-H224 PolarHBondContact N-O 2.77Å; K210-H224 PolarHBondContact O-N 2.8Å; T212-H224 PolarHBondContact OG1-NE2 2.92Å |
| 225 | C | 80.8 | Confident | 71.4 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 141.7 | -177.8 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | F229 C234 | C225-F229 HydrophobicContact CB-CB 4.16Å; C225-F229 WeakPolarHBondContact CB-O 3.47Å; C225-C234 WeakPolarHBondContact CA-SG 2.96Å; C225-C234 HydrophobicContact CB-CB 3.77Å; C225-C234 WeakPolarHBondContact CB-SG 3.14Å; C225-C234 PolarHBondContact N-SG 3.16Å; C225-C234 VanDerWaalsContact N-SG 3.43Å; C225-C234 VanDerWaalsContact SG-CA 3.51Å; C225-C234 WeakPolarHBondContact SG-CB 3.35Å; C225-C234 CovalentContact SG-SG 2.03Å; C225-C234 PolarHBondContact SG-SG 2.79Å |
| 226 | R | 78.1 | Confident | 71.4 | Confident | 146 Ų | 146 | 71 Ų | 71 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 158.8 | 164 | -80.4 | -174.9 | 175.5 | 159.4 | 6.2 | 110.3 | D208 N228 F229 | D208-R226 VanDerWaalsContact CB-CZ 3.48Å; D208-R226 IonicContact OD2-CZ 3.87Å; D208-R226 IonicContact OD2-NH1 2.65Å; D208-R226 PolarHBondContact OD2-NH1 2.04Å; D208-R226 IonicContact OD2-NH2 3.24Å; D208-R226 PolarHBondContact OD2-NH2 3.22Å; R226-N228 PolarHBondContact O-N 2.71Å; R226-F229 HydrophobicContact CB-CD2 4.49Å; R226-F229 PolarHBondContact O-N 3.09Å; R226-F229 VanDerWaalsContact O-N 3.11Å |
| 227 | D | 68.8 | Low | 71.6 | Confident | 141 Ų | 141 | 71.3 Ų | 71.3 | 75% | 0.754 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 135.9 | 169.5 | -70.5 | -40.2 | 0 | 0 | 0 | 109.3 | ||
| 228 | N | 64.8 | Low | 71.8 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -2.6 | -172.3 | -43.5 | -49.3 | 0 | 0 | 0 | 118.2 | R226 K238 G257 | R226-N228 PolarHBondContact O-N 2.71Å; N228-K238 PolarHBondContact O-N 3.39Å; N228-G257 PolarHBondContact OD1-N 2.76Å |
| 229 | F | 72.8 | Confident | 72.4 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 21% | 0.211 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152.4 | 173.6 | -64.4 | -85.5 | 0 | 0 | 0 | 112.9 | N207 C225 R226 C234 Y236 E237 | N207-F229 HydrophobicContact CB-CD1 3.88Å; N207-F229 HydrophobicContact CB-CD2 3.94Å; N207-F229 HydrophobicContact CB-CE1 3.83Å; N207-F229 HydrophobicContact CB-CE2 3.9Å; N207-F229 HydrophobicContact CB-CG 3.93Å; N207-F229 HydrophobicContact CB-CZ 3.84Å; N207-F229 WeakPolarHBondContact ND2-CD1 3.44Å; N207-F229 WeakPolarHBondContact ND2-CE1 3.3Å; C225-F229 HydrophobicContact CB-CB 4.16Å; C225-F229 WeakPolarHBondContact CB-O 3.47Å; R226-F229 HydrophobicContact CB-CD2 4.49Å; R226-F229 PolarHBondContact O-N 3.09Å; R226-F229 VanDerWaalsContact O-N 3.11Å; F229-C234 HydrophobicContact CB-CB 4.22Å; F229-Y236 CarbonylContact C-O 3.56Å; F229-Y236 WeakPolarHBondContact CA-O 3.03Å; F229-E237 HydrophobicContact CD1-CB 4.36Å; F229-E237 HydrophobicContact CE1-CB 4.16Å; F229-E237 HydrophobicContact CE1-CG 4.3Å |
| 230 | F | 74.8 | Confident | 72.8 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 173.7 | 177 | 77.4 | -78.2 | 0 | 0 | 0 | 112.9 | C234 Y236 E237 K238 | F230-C234 CarbonylContact O-C 3.56Å; F230-C234 WeakPolarHBondContact O-CA 3.32Å; F230-Y236 VanDerWaalsContact CD1-O 3.22Å; F230-Y236 WeakPolarHBondContact CD1-O 3.5Å; F230-Y236 VanDerWaalsContact CE1-CB 3.4Å; F230-Y236 HydrophobicContact CE1-CG 4.49Å; F230-Y236 HydrophobicContact CE2-CD2 4.5Å; F230-Y236 HydrophobicContact CE2-CG 4.4Å; F230-Y236 HydrophobicContact CZ-CG 4.22Å; F230-Y236 PolarHBondContact N-O 3.37Å; F230-Y236 WeakPolarHBondContact O-CB 3.01Å; F230-Y236 PolarHBondContact O-N 3.39Å; F230-Y236 VanDerWaalsContact O-N 3.13Å; F230-E237 WeakPolarHBondContact CE1-O 3.03Å; F230-K238 HydrophobicContact CB-CG 4.37Å; F230-K238 HydrophobicContact CD1-CB 4.33Å; F230-K238 HydrophobicContact CD1-CG 3.55Å; F230-K238 HydrophobicContact CE1-CG 4.24Å; F230-K238 HydrophobicContact CG-CG 4.28Å |
| 231 | G | 69.6 | Low | 73.4 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 95.1 | 169.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q233 C234 | G231-Q233 VanDerWaalsContact C-N 3.25Å; G231-Q233 PolarHBondContact O-N 3.44Å; G231-C234 PolarHBondContact O-N 2.76Å; G231-C234 VanDerWaalsContact O-N 3.12Å |
| 232 | P | 71.3 | Confident | 73.2 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.1 | -171.1 | 21.7 | -31.2 | 0 | 0 | 0 | 114.1 | C223 | C223-P232 PolarHBondContact SG-O 3.09Å; C223-P232 VanDerWaalsContact SG-O 3.32Å |
| 233 | Q | 80.7 | Confident | 72.4 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 10.6 | 176 | -62.8 | -174 | -78.9 | 0 | 0 | 113.2 | Y204 L206 G231 S235 | Y204-Q233 WeakPolarHBondContact O-CB 3.46Å; Y204-Q233 WeakPolarHBondContact O-CG 3.22Å; Y204-Q233 PolarHBondContact O-NE2 3.35Å; L206-Q233 PolarHBondContact N-O 3.37Å; G231-Q233 VanDerWaalsContact C-N 3.25Å; G231-Q233 PolarHBondContact O-N 3.44Å; Q233-S235 PolarHBondContact O-N 2.03Å |
| 234 | C | 80.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 56.8 | 28.9 | -172.4 | -49.7 | 0 | 0 | 0 | 0 | 113.8 | N207 A209 C223 C225 F229 F230 G231 | N207-C234 PolarHBondContact ND2-O 2.8Å; A209-C234 HydrophobicContact CB-CB 3.71Å; A209-C234 WeakPolarHBondContact CB-SG 3.49Å; C223-C234 WeakPolarHBondContact CB-SG 3.43Å; C225-C234 WeakPolarHBondContact CA-SG 2.96Å; C225-C234 HydrophobicContact CB-CB 3.77Å; C225-C234 WeakPolarHBondContact CB-SG 3.14Å; C225-C234 PolarHBondContact N-SG 3.16Å; C225-C234 VanDerWaalsContact N-SG 3.43Å; C225-C234 VanDerWaalsContact SG-CA 3.51Å; C225-C234 WeakPolarHBondContact SG-CB 3.35Å; C225-C234 CovalentContact SG-SG 2.03Å; C225-C234 PolarHBondContact SG-SG 2.79Å; F229-C234 HydrophobicContact CB-CB 4.22Å; F230-C234 CarbonylContact O-C 3.56Å; F230-C234 WeakPolarHBondContact O-CA 3.32Å; G231-C234 PolarHBondContact O-N 2.76Å; G231-C234 VanDerWaalsContact O-N 3.12Å |
| 235 | S | 76.6 | Confident | 71.4 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | trans | -78.7 | -17.3 | -178 | 55.2 | 0 | 0 | 0 | 0 | 114 | Q233 | Q233-S235 PolarHBondContact O-N 2.03Š| ||
| 236 | Y | 66.7 | Low | 71.6 | Confident | 96 Ų | 96 | 81 Ų | 81 | 38% | 0.376 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119 | -177 | -55.4 | -76.5 | 0 | 0 | 0 | 110.1 | F229 F230 | F229-Y236 CarbonylContact C-O 3.56Å; F229-Y236 WeakPolarHBondContact CA-O 3.03Å; F230-Y236 VanDerWaalsContact CD1-O 3.22Å; F230-Y236 WeakPolarHBondContact CD1-O 3.5Å; F230-Y236 VanDerWaalsContact CE1-CB 3.4Å; F230-Y236 HydrophobicContact CE1-CG 4.49Å; F230-Y236 HydrophobicContact CE2-CD2 4.5Å; F230-Y236 HydrophobicContact CE2-CG 4.4Å; F230-Y236 HydrophobicContact CZ-CG 4.22Å; F230-Y236 PolarHBondContact N-O 3.37Å; F230-Y236 WeakPolarHBondContact O-CB 3.01Å; F230-Y236 PolarHBondContact O-N 3.39Å; F230-Y236 VanDerWaalsContact O-N 3.13Å |
| 237 | E | 65.7 | Low | 71.7 | Confident | 134 Ų | 134 | 81.9 Ų | 81.9 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 132.7 | 165.3 | -166.3 | 173.3 | -167.4 | 0 | 0 | 108.8 | F229 F230 N239 | F229-E237 HydrophobicContact CD1-CB 4.36Å; F229-E237 HydrophobicContact CE1-CB 4.16Å; F229-E237 HydrophobicContact CE1-CG 4.3Å; F230-E237 WeakPolarHBondContact CE1-O 3.03Å; E237-N239 VanDerWaalsContact C-N 3.31Å; E237-N239 PolarHBondContact O-N 3.05Å |
| 238 | K | 61.8 | Low | 72.2 | Confident | 85 Ų | 85 | 78.6 Ų | 78.6 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | trans | -64.4 | 95.3 | 174.3 | -80.8 | -176.6 | -178.9 | 168.7 | 0 | 108.3 | N228 F230 Y240 | N228-K238 PolarHBondContact O-N 3.39Å; F230-K238 HydrophobicContact CB-CG 4.37Å; F230-K238 HydrophobicContact CD1-CB 4.33Å; F230-K238 HydrophobicContact CD1-CG 3.55Å; F230-K238 HydrophobicContact CE1-CG 4.24Å; F230-K238 HydrophobicContact CG-CG 4.28Å; K238-Y240 HydrophobicContact CB-CD2 4.3Å; K238-Y240 HydrophobicContact CB-CE1 4.5Å; K238-Y240 HydrophobicContact CB-CE2 3.72Å; K238-Y240 HydrophobicContact CD-CE1 4.45Å; K238-Y240 WeakPolarHBondContact CD-OH 3.24Å; K238-Y240 WeakPolarHBondContact O-CD2 3.41Å; K238-Y240 WeakPolarHBondContact O-CE2 3.22Å; K238-Y240 PolarHBondContact O-N 3.48Å | ||
| 239 | N | 64.2 | Low | 72.6 | Confident | 95 Ų | 95 | 80 Ų | 80 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | trans | -75.7 | 92.3 | 171.5 | -171.3 | -18.5 | 0 | 0 | 0 | 109.3 | E237 C241 K242 S254 | E237-N239 VanDerWaalsContact C-N 3.31Å; E237-N239 PolarHBondContact O-N 3.05Å; N239-C241 PolarHBondContact O-N 3.14Å; N239-C241 VanDerWaalsContact O-N 3.15Å; N239-C241 WeakPolarHBondContact OD1-CA 3.42Å; N239-C241 WeakPolarHBondContact OD1-CB 3.37Å; N239-C241 PolarHBondContact OD1-N 3.15Å; N239-K242 WeakPolarHBondContact O-CB 3.18Å; N239-K242 PolarHBondContact O-N 3.37Å; N239-K242 VanDerWaalsContact O-N 3.15Å; N239-S254 PolarHBondContact OD1-OG 2.7Å | ||
| 240 | Y | 67.5 | Low | 73.1 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 26% | 0.255 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -63.9 | -13.4 | 176.5 | -64.5 | -82.1 | 0 | 0 | 0 | 112.5 | K238 S254 G257 S258 | K238-Y240 HydrophobicContact CB-CD2 4.3Å; K238-Y240 HydrophobicContact CB-CE1 4.5Å; K238-Y240 HydrophobicContact CB-CE2 3.72Å; K238-Y240 HydrophobicContact CD-CE1 4.45Å; K238-Y240 WeakPolarHBondContact CD-OH 3.24Å; K238-Y240 WeakPolarHBondContact O-CD2 3.41Å; K238-Y240 WeakPolarHBondContact O-CE2 3.22Å; K238-Y240 PolarHBondContact O-N 3.48Å; Y240-S254 PolarHBondContact N-OG 2.03Å; Y240-G257 WeakPolarHBondContact OH-CA 3.4Å; Y240-S258 WeakPolarHBondContact CB-O 3.14Å; Y240-S258 WeakPolarHBondContact CD2-O 3.48Å |
| 241 | C | 73.8 | Confident | 73.5 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -84.3 | -0.8 | 174.8 | -62.7 | 0 | 0 | 0 | 0 | 114.9 | N239 K243 N244 C252 | N239-C241 PolarHBondContact O-N 3.14Å; N239-C241 VanDerWaalsContact O-N 3.15Å; N239-C241 WeakPolarHBondContact OD1-CA 3.42Å; N239-C241 WeakPolarHBondContact OD1-CB 3.37Å; N239-C241 PolarHBondContact OD1-N 3.15Å; C241-K243 PolarHBondContact O-N 3.27Å; C241-N244 WeakPolarHBondContact O-CA 3.25Å; C241-N244 WeakPolarHBondContact O-CB 3.46Å; C241-N244 PolarHBondContact O-N 2.77Å; C241-C252 WeakPolarHBondContact CA-SG 3.2Å; C241-C252 HydrophobicContact CB-CB 3.63Å; C241-C252 WeakPolarHBondContact CB-SG 3.26Å; C241-C252 WeakPolarHBondContact SG-CB 3.34Å; C241-C252 CovalentContact SG-SG 2.03Å; C241-C252 PolarHBondContact SG-SG 3.18Å |
| 242 | K | 68.1 | Low | 74.2 | Confident | 131 Ų | 131 | 77.2 Ų | 77.2 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -62.9 | -24.9 | -177.3 | -166.3 | 178.1 | 177.8 | -170.7 | 0 | 114.5 | A176 N239 | A176-K242 VanDerWaalsContact CA-NZ 3.31Å; N239-K242 WeakPolarHBondContact O-CB 3.18Å; N239-K242 PolarHBondContact O-N 3.37Å; N239-K242 VanDerWaalsContact O-N 3.15Å |
| 243 | K | 65.3 | Low | 74.6 | Confident | 186 Ų | 186 | 76.9 Ų | 76.9 | 81% | 0.809 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -95.4 | 7.2 | 172.4 | -77.6 | -172.1 | 177.1 | -178.4 | 0 | 113.6 | C241 L245 | C241-K243 PolarHBondContact O-N 3.27Å; K243-L245 PolarHBondContact O-N 2.84Å; K243-L245 VanDerWaalsContact O-N 3.12Å |
| 244 | N | 67.5 | Low | 74.1 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | trans | 1.6 | 86.8 | -170.2 | -167.1 | 7.1 | 0 | 0 | 0 | 114.6 | C241 C246 | C241-N244 WeakPolarHBondContact O-CA 3.25Å; C241-N244 WeakPolarHBondContact O-CB 3.46Å; C241-N244 PolarHBondContact O-N 2.77Å; N244-C246 PolarHBondContact O-N 3.45Å; N244-C246 VanDerWaalsContact OD1-CB 3.24Å; N244-C246 WeakPolarHBondContact OD1-CB 3.41Å; N244-C246 PolarHBondContact OD1-N 2.04Å | ||
| 245 | L | 80.4 | Confident | 73.2 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | trans | -81.4 | -6.3 | 178.2 | -78.5 | 154.9 | 0 | 0 | 0 | 112.2 | K243 R247 Y259 Y271 | K243-L245 PolarHBondContact O-N 2.84Å; K243-L245 VanDerWaalsContact O-N 3.12Å; L245-R247 PolarHBondContact O-N 3.05Å; L245-Y259 HydrophobicContact CB-CE2 4.16Å; L245-Y259 VanDerWaalsContact CB-OH 3.27Å; L245-Y259 WeakPolarHBondContact CB-OH 3.36Å; L245-Y259 HydrophobicContact CD1-CE1 4.45Å; L245-Y259 WeakPolarHBondContact CD1-OH 3.28Å; L245-Y271 HydrophobicContact CB-CD1 3.9Å; L245-Y271 HydrophobicContact CB-CE1 4.21Å; L245-Y271 WeakPolarHBondContact O-CB 2.99Å | ||
| 246 | C | 84.2 | Confident | 72.5 | Confident | 16 Ų | 16 | 83.7 Ų | 83.7 | 11% | 0.108 | 43% | 0.428 | C | S | . | . | trans | -67.2 | 130.7 | 178.5 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | N244 A250 C252 C261 Y271 | N244-C246 PolarHBondContact O-N 3.45Å; N244-C246 VanDerWaalsContact OD1-CB 3.24Å; N244-C246 WeakPolarHBondContact OD1-CB 3.41Å; N244-C246 PolarHBondContact OD1-N 2.04Å; C246-A250 HydrophobicContact CB-CB 4Å; C246-C252 VanDerWaalsContact SG-CB 3.59Å; C246-C261 WeakPolarHBondContact CA-SG 3.22Å; C246-C261 HydrophobicContact CB-CB 3.75Å; C246-C261 WeakPolarHBondContact CB-SG 3.34Å; C246-C261 WeakPolarHBondContact SG-CA 3.02Å; C246-C261 WeakPolarHBondContact SG-CB 3.16Å; C246-C261 CovalentContact SG-SG 2.03Å; C246-C261 PolarHBondContact SG-SG 2.04Å; C246-Y271 CarbonylContact C-O 3.3Å | ||
| 247 | R | 81.4 | Confident | 72.2 | Confident | 163 Ų | 163 | 81.4 Ų | 81.4 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | trans | -102.3 | 172 | -177.8 | -57.2 | -118.9 | 178.9 | -155.4 | 1.2 | 110.4 | L245 G249 A250 Y271 E273 | L245-R247 PolarHBondContact O-N 3.05Å; R247-G249 VanDerWaalsContact C-N 3.26Å; R247-G249 PolarHBondContact O-N 3.42Å; R247-G249 VanDerWaalsContact O-N 3.12Å; R247-A250 VanDerWaalsContact O-CB 3.3Å; R247-A250 WeakPolarHBondContact O-CB 3.32Å; R247-A250 PolarHBondContact O-N 2.66Å; R247-A250 VanDerWaalsContact O-N 3.1Å; R247-Y271 WeakPolarHBondContact CB-O 3.42Å; R247-Y271 PolarHBondContact N-O 2.89Å; R247-E273 HydrophobicContact CG-CB 4.37Å | ||
| 248 | N | 77.9 | Confident | 72.2 | Confident | 72 Ų | 72 | 77.7 Ų | 77.7 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 36 | 168.9 | -59.1 | -45.4 | 0 | 0 | 0 | 115.4 | A250 N264 F267 C272 | N248-A250 VanDerWaalsContact C-N 3.28Å; N248-A250 PolarHBondContact O-N 3.26Å; N248-N264 PolarHBondContact O-ND2 3.35Å; N248-F267 HydrophobicContact CB-CB 4.32Å; N248-F267 HydrophobicContact CB-CD1 3.5Å; N248-F267 VanDerWaalsContact CB-CD1 3.5Å; N248-F267 HydrophobicContact CB-CD2 3.55Å; N248-F267 HydrophobicContact CB-CE1 3.55Å; N248-F267 HydrophobicContact CB-CE2 3.61Å; N248-F267 HydrophobicContact CB-CG 3.5Å; N248-F267 VanDerWaalsContact CB-CG 3.5Å; N248-F267 HydrophobicContact CB-CZ 3.6Å; N248-F267 WeakPolarHBondContact ND2-CD1 3.42Å; N248-F267 VanDerWaalsContact ND2-CE1 3.26Å; N248-F267 WeakPolarHBondContact ND2-CE1 3.2Å; N248-C272 PolarHBondContact ND2-O 3.06Å |
| 249 | G | 74.5 | Confident | 72.7 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 16.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R247 N264 | R247-G249 VanDerWaalsContact C-N 3.26Å; R247-G249 PolarHBondContact O-N 3.42Å; R247-G249 VanDerWaalsContact O-N 3.12Å; G249-N264 PolarHBondContact O-ND2 3.08Å |
| 250 | A | 82.2 | Confident | 73.5 | Confident | 9 Ų | 9 | 76 Ų | 76 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 145.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | C246 R247 N248 C261 K262 C272 | C246-A250 HydrophobicContact CB-CB 4Å; R247-A250 VanDerWaalsContact O-CB 3.3Å; R247-A250 WeakPolarHBondContact O-CB 3.32Å; R247-A250 PolarHBondContact O-N 2.66Å; R247-A250 VanDerWaalsContact O-N 3.1Å; N248-A250 VanDerWaalsContact C-N 3.28Å; N248-A250 PolarHBondContact O-N 3.26Å; A250-C261 HydrophobicContact CB-CB 4.48Å; A250-K262 WeakPolarHBondContact CA-O 3.36Å; A250-K262 WeakPolarHBondContact CB-O 3.19Å; A250-C272 HydrophobicContact CB-CB 3.56Å; A250-C272 WeakPolarHBondContact CB-SG 3.14Å |
| 251 | T | 84.5 | Confident | 74.3 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.1 | 178.9 | -45.5 | 0 | 0 | 0 | 0 | 109.8 | L253 K262 | T251-L253 HydrophobicContact CG2-CD2 4.35Å; T251-K262 PolarHBondContact N-O 2.84Å; T251-K262 WeakPolarHBondContact O-CB 3.36Å; T251-K262 PolarHBondContact O-N 3.37Å |
| 252 | C | 83.3 | Confident | 74.8 | Confident | 24 Ų | 24 | 79 Ų | 79 | 16% | 0.162 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 128.7 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | C241 C246 | C241-C252 WeakPolarHBondContact CA-SG 3.2Å; C241-C252 HydrophobicContact CB-CB 3.63Å; C241-C252 WeakPolarHBondContact CB-SG 3.26Å; C241-C252 WeakPolarHBondContact SG-CB 3.34Å; C241-C252 CovalentContact SG-SG 2.03Å; C241-C252 PolarHBondContact SG-SG 3.18Å; C246-C252 VanDerWaalsContact SG-CB 3.59Å |
| 253 | L | 80.1 | Confident | 75.5 | Confident | 88 Ų | 88 | 74.8 Ų | 74.8 | 46% | 0.461 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.4 | 175 | -58.4 | 175.3 | 0 | 0 | 0 | 108.2 | T251 Y259 T260 K262 | T251-L253 HydrophobicContact CG2-CD2 4.35Å; L253-Y259 CarbonylContact O-C 3.48Å; L253-Y259 VanDerWaalsContact O-CA 3.3Å; L253-Y259 WeakPolarHBondContact O-CA 3.45Å; L253-T260 PolarHBondContact N-O 2.02Å; L253-T260 PolarHBondContact O-N 3.31Å; L253-K262 HydrophobicContact CD1-CB 4.08Å; L253-K262 HydrophobicContact CD1-CD 4.43Å; L253-K262 HydrophobicContact CG-CB 4.45Å |
| 254 | S | 70.7 | Confident | 76.2 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.9 | 170.9 | -67.6 | 0 | 0 | 0 | 0 | 108.8 | N239 Y240 | N239-S254 PolarHBondContact OD1-OG 2.7Å; Y240-S254 PolarHBondContact N-OG 2.03Å |
| 255 | G | 61.7 | Low | 76.5 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G257 S258 | G255-G257 PolarHBondContact O-N 3.36Å; G255-S258 CarbonylContact C-O 3.57Å; G255-S258 WeakPolarHBondContact CA-O 3.48Å; G255-S258 PolarHBondContact N-O 2.91Å; G255-S258 PolarHBondContact O-N 3.25Å |
| 256 | E | 60.7 | Low | 76 | Confident | 174 Ų | 174 | 81 Ų | 81 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 106.7 | -179 | -157.6 | 171.1 | -159.4 | 0 | 0 | 110.1 | S258 | E256-S258 VanDerWaalsContact C-N 3.27Å; E256-S258 PolarHBondContact O-N 3.3Å |
| 257 | G | 61.4 | Low | 75.8 | Confident | 48 Ų | 48 | 82.7 Ų | 82.7 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | -0.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | N228 Y240 G255 | N228-G257 PolarHBondContact OD1-N 2.76Å; Y240-G257 WeakPolarHBondContact OH-CA 3.4Å; G255-G257 PolarHBondContact O-N 3.36Å |
| 258 | S | 64.7 | Low | 75.7 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -179.6 | -172.8 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | Y240 G255 E256 | Y240-S258 WeakPolarHBondContact CB-O 3.14Å; Y240-S258 WeakPolarHBondContact CD2-O 3.48Å; G255-S258 CarbonylContact C-O 3.57Å; G255-S258 WeakPolarHBondContact CA-O 3.48Å; G255-S258 PolarHBondContact N-O 2.91Å; G255-S258 PolarHBondContact O-N 3.25Å; E256-S258 VanDerWaalsContact C-N 3.27Å; E256-S258 PolarHBondContact O-N 3.3Å |
| 259 | Y | 72.4 | Confident | 75.4 | Confident | 57 Ų | 57 | 75.6 Ų | 75.6 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.9 | 166.2 | 67.6 | -79.6 | 0 | 0 | 0 | 110.2 | L245 L253 Y271 | L245-Y259 HydrophobicContact CB-CE2 4.16Å; L245-Y259 VanDerWaalsContact CB-OH 3.27Å; L245-Y259 WeakPolarHBondContact CB-OH 3.36Å; L245-Y259 HydrophobicContact CD1-CE1 4.45Å; L245-Y259 WeakPolarHBondContact CD1-OH 3.28Å; L253-Y259 CarbonylContact O-C 3.48Å; L253-Y259 VanDerWaalsContact O-CA 3.3Å; L253-Y259 WeakPolarHBondContact O-CA 3.45Å; Y259-Y271 HydrophobicContact CE2-CD1 4.27Å; Y259-Y271 HydrophobicContact CE2-CE1 4.26Å; Y259-Y271 AromaticContact CZ-CE1 3.93Å; Y259-Y271 WeakPolarHBondContact OH-CE1 3.47Å |
| 260 | T | 80.3 | Confident | 75.6 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.9 | 177.2 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | L253 | L253-T260 PolarHBondContact N-O 2.02Å; L253-T260 PolarHBondContact O-N 3.31Å |
| 261 | C | 84.8 | Confident | 75.7 | Confident | 14 Ų | 14 | 81.3 Ų | 81.3 | 10% | 0.095 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.5 | 175 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | C246 A250 C263 P270 C272 | C246-C261 WeakPolarHBondContact CA-SG 3.22Å; C246-C261 HydrophobicContact CB-CB 3.75Å; C246-C261 WeakPolarHBondContact CB-SG 3.34Å; C246-C261 WeakPolarHBondContact SG-CA 3.02Å; C246-C261 WeakPolarHBondContact SG-CB 3.16Å; C246-C261 CovalentContact SG-SG 2.03Å; C246-C261 PolarHBondContact SG-SG 2.04Å; A250-C261 HydrophobicContact CB-CB 4.48Å; C261-C263 PolarHBondContact O-N 3.34Å; C261-P270 PolarHBondContact SG-O 2.95Å; C261-C272 WeakPolarHBondContact CB-SG 3.02Å |
| 262 | K | 84.3 | Confident | 75.7 | Confident | 136 Ų | 136 | 77.6 Ų | 77.6 | 59% | 0.591 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 98.3 | 170.4 | -175 | -177.6 | 179.7 | -178.2 | 0 | 108.8 | A250 T251 L253 | A250-K262 WeakPolarHBondContact CA-O 3.36Å; A250-K262 WeakPolarHBondContact CB-O 3.19Å; T251-K262 PolarHBondContact N-O 2.84Å; T251-K262 WeakPolarHBondContact O-CB 3.36Å; T251-K262 PolarHBondContact O-N 3.37Å; L253-K262 HydrophobicContact CD1-CB 4.08Å; L253-K262 HydrophobicContact CD1-CD 4.43Å; L253-K262 HydrophobicContact CG-CB 4.45Å |
| 263 | C | 82.8 | Confident | 75.5 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | trans | -67.8 | 143.9 | -175.6 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | C261 F267 C272 | C261-C263 PolarHBondContact O-N 3.34Å; C263-F267 HydrophobicContact CB-CB 4.42Å; C263-F267 WeakPolarHBondContact CB-O 3.44Å; C263-C272 WeakPolarHBondContact CA-SG 3.23Å; C263-C272 HydrophobicContact CB-CB 3.73Å; C263-C272 WeakPolarHBondContact CB-SG 3.5Å; C263-C272 PolarHBondContact N-SG 2.83Å; C263-C272 VanDerWaalsContact N-SG 3.45Å; C263-C272 WeakPolarHBondContact SG-CA 3Å; C263-C272 WeakPolarHBondContact SG-CB 3.49Å; C263-C272 CovalentContact SG-SG 2.03Å; C263-C272 PolarHBondContact SG-SG 2.82Å | ||
| 264 | N | 80.2 | Confident | 75.2 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 40% | 0.401 | 42% | 0.415 | S | S | . | . | trans | -65.6 | 162 | 169.7 | -77.9 | -30.8 | 0 | 0 | 0 | 111.3 | N248 G249 R266 F267 | N248-N264 PolarHBondContact O-ND2 3.35Å; G249-N264 PolarHBondContact O-ND2 3.08Å; N264-R266 PolarHBondContact O-N 2.04Å; N264-F267 HydrophobicContact CB-CD2 4.32Å; N264-F267 PolarHBondContact O-N 3.36Å | ||
| 265 | R | 73.1 | Confident | 75.2 | Confident | 237 Ų | 237 | 80.6 Ų | 80.6 | 89% | 0.894 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -2.9 | -171.6 | -75.2 | -172.8 | 170.1 | 171.9 | -1.4 | 116.7 | R281 | R265-R281 PolarHBondContact O-NH2 3.21Š|
| 266 | R | 71.7 | Confident | 75.6 | Confident | 175 Ų | 175 | 81.1 Ų | 81.1 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.8 | 7.4 | -178.1 | -74.6 | -178.7 | -87.5 | -172.8 | -5.7 | 114.6 | N264 L275 L276 | N264-R266 PolarHBondContact O-N 2.04Å; R266-L275 HydrophobicContact CB-CD1 4.41Å; R266-L275 WeakPolarHBondContact O-CD1 3.03Å; R266-L276 PolarHBondContact O-N 2.87Å |
| 267 | F | 79.8 | Confident | 76.3 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 23% | 0.228 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.8 | -176.6 | -61.9 | -84.1 | 0 | 0 | 0 | 112.3 | N248 C263 N264 C272 T274 L275 | N248-F267 HydrophobicContact CB-CB 4.32Å; N248-F267 HydrophobicContact CB-CD1 3.5Å; N248-F267 VanDerWaalsContact CB-CD1 3.5Å; N248-F267 HydrophobicContact CB-CD2 3.55Å; N248-F267 HydrophobicContact CB-CE1 3.55Å; N248-F267 HydrophobicContact CB-CE2 3.61Å; N248-F267 HydrophobicContact CB-CG 3.5Å; N248-F267 VanDerWaalsContact CB-CG 3.5Å; N248-F267 HydrophobicContact CB-CZ 3.6Å; N248-F267 WeakPolarHBondContact ND2-CD1 3.42Å; N248-F267 VanDerWaalsContact ND2-CE1 3.26Å; N248-F267 WeakPolarHBondContact ND2-CE1 3.2Å; C263-F267 HydrophobicContact CB-CB 4.42Å; C263-F267 WeakPolarHBondContact CB-O 3.44Å; N264-F267 HydrophobicContact CB-CD2 4.32Å; N264-F267 PolarHBondContact O-N 3.36Å; F267-C272 HydrophobicContact CB-CB 4.2Å; F267-T274 CarbonylContact C-O 3.47Å; F267-T274 WeakPolarHBondContact CA-O 3.43Å; F267-L275 HydrophobicContact CD1-CB 4.45Å; F267-L275 HydrophobicContact CD1-CD1 4.22Å; F267-L275 HydrophobicContact CE1-CB 4.3Å; F267-L275 HydrophobicContact CE1-CD1 3.67Å; F267-L275 HydrophobicContact CZ-CD1 3.93Å |
| 268 | T | 78 | Confident | 77.2 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 179.5 | 178.2 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | C272 E273 T274 L276 | T268-C272 CarbonylContact O-C 3.48Å; T268-C272 VanDerWaalsContact O-C 3.29Å; T268-C272 VanDerWaalsContact O-CA 3.23Å; T268-C272 WeakPolarHBondContact O-CA 3.42Å; T268-E273 PolarHBondContact O-N 2.91Å; T268-T274 HydrophobicContact CG2-CG2 3.91Å; T268-T274 PolarHBondContact N-O 2.76Å; T268-T274 WeakPolarHBondContact O-CB 3.17Å; T268-T274 PolarHBondContact O-N 2.93Å; T268-L276 HydrophobicContact CG2-CB 4.44Å; T268-L276 HydrophobicContact CG2-CD1 3.73Å |
| 269 | G | 72.4 | Confident | 78.2 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 97.1 | 161 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y271 C272 | G269-Y271 PolarHBondContact O-N 3.33Å; G269-Y271 VanDerWaalsContact O-N 3.16Å; G269-C272 PolarHBondContact O-N 2.86Å |
| 270 | P | 78.8 | Confident | 78.5 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 60% | 0.597 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.4 | -177.7 | 23.8 | -33.1 | 0 | 0 | 0 | 113.4 | C261 E273 | C261-P270 PolarHBondContact SG-O 2.95Å; P270-E273 WeakPolarHBondContact CD-OE1 3.45Å |
| 271 | Y | 84.4 | Confident | 78.5 | Confident | 98 Ų | 98 | 77.8 Ų | 77.8 | 38% | 0.384 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 13 | 176.7 | -51.2 | -53.6 | 0 | 0 | 0 | 112.4 | L245 C246 R247 Y259 G269 E273 | L245-Y271 HydrophobicContact CB-CD1 3.9Å; L245-Y271 HydrophobicContact CB-CE1 4.21Å; L245-Y271 WeakPolarHBondContact O-CB 2.99Å; C246-Y271 CarbonylContact C-O 3.3Å; R247-Y271 WeakPolarHBondContact CB-O 3.42Å; R247-Y271 PolarHBondContact N-O 2.89Å; Y259-Y271 HydrophobicContact CE2-CD1 4.27Å; Y259-Y271 HydrophobicContact CE2-CE1 4.26Å; Y259-Y271 AromaticContact CZ-CE1 3.93Å; Y259-Y271 WeakPolarHBondContact OH-CE1 3.47Å; G269-Y271 PolarHBondContact O-N 3.33Å; G269-Y271 VanDerWaalsContact O-N 3.16Å; Y271-E273 WeakPolarHBondContact CA-OE2 3.37Å; Y271-E273 VanDerWaalsContact CB-OE2 3.32Å; Y271-E273 WeakPolarHBondContact CB-OE2 3.34Å; Y271-E273 PolarHBondContact N-OE2 2.73Å; Y271-E273 PolarHBondContact O-N 2.71Å |
| 272 | C | 84.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | S | Bend | trans | 56.1 | 31.5 | -174.8 | -49.8 | 0 | 0 | 0 | 0 | 113.8 | N248 A250 C261 C263 F267 T268 G269 | N248-C272 PolarHBondContact ND2-O 3.06Å; A250-C272 HydrophobicContact CB-CB 3.56Å; A250-C272 WeakPolarHBondContact CB-SG 3.14Å; C261-C272 WeakPolarHBondContact CB-SG 3.02Å; C263-C272 WeakPolarHBondContact CA-SG 3.23Å; C263-C272 HydrophobicContact CB-CB 3.73Å; C263-C272 WeakPolarHBondContact CB-SG 3.5Å; C263-C272 PolarHBondContact N-SG 2.83Å; C263-C272 VanDerWaalsContact N-SG 3.45Å; C263-C272 WeakPolarHBondContact SG-CA 3Å; C263-C272 WeakPolarHBondContact SG-CB 3.49Å; C263-C272 CovalentContact SG-SG 2.03Å; C263-C272 PolarHBondContact SG-SG 2.82Å; F267-C272 HydrophobicContact CB-CB 4.2Å; T268-C272 CarbonylContact O-C 3.48Å; T268-C272 VanDerWaalsContact O-C 3.29Å; T268-C272 VanDerWaalsContact O-CA 3.23Å; T268-C272 WeakPolarHBondContact O-CA 3.42Å; G269-C272 PolarHBondContact O-N 2.86Å |
| 273 | E | 79.7 | Confident | 78.5 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | trans | -80.4 | -24.9 | -176.9 | 68.1 | -85.5 | -146.7 | 0 | 0 | 113.2 | R247 T268 P270 Y271 | R247-E273 HydrophobicContact CG-CB 4.37Å; T268-E273 PolarHBondContact O-N 2.91Å; P270-E273 WeakPolarHBondContact CD-OE1 3.45Å; Y271-E273 WeakPolarHBondContact CA-OE2 3.37Å; Y271-E273 VanDerWaalsContact CB-OE2 3.32Å; Y271-E273 WeakPolarHBondContact CB-OE2 3.34Å; Y271-E273 PolarHBondContact N-OE2 2.73Å; Y271-E273 PolarHBondContact O-N 2.71Å | ||
| 274 | T | 72.7 | Confident | 78.8 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 124.2 | -174.7 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | F267 T268 L276 | F267-T274 CarbonylContact C-O 3.47Å; F267-T274 WeakPolarHBondContact CA-O 3.43Å; T268-T274 HydrophobicContact CG2-CG2 3.91Å; T268-T274 PolarHBondContact N-O 2.76Å; T268-T274 WeakPolarHBondContact O-CB 3.17Å; T268-T274 PolarHBondContact O-N 2.93Å; T274-L276 PolarHBondContact O-N 3.15Å |
| 275 | L | 71.1 | Confident | 79.1 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 45% | 0.45 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 120 | 169.4 | -176.9 | 71.5 | 0 | 0 | 0 | 108.4 | R266 F267 M277 | R266-L275 HydrophobicContact CB-CD1 4.41Å; R266-L275 WeakPolarHBondContact O-CD1 3.03Å; F267-L275 HydrophobicContact CD1-CB 4.45Å; F267-L275 HydrophobicContact CD1-CD1 4.22Å; F267-L275 HydrophobicContact CE1-CB 4.3Å; F267-L275 HydrophobicContact CE1-CD1 3.67Å; F267-L275 HydrophobicContact CZ-CD1 3.93Å; L275-M277 HydrophobicContact CD2-SD 3.71Å; L275-M277 HydrophobicContact CG-SD 4.24Å; L275-M277 PolarHBondContact O-N 2.82Å; L275-M277 VanDerWaalsContact O-N 3.15Å |
| 276 | L | 70.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | trans | -76.5 | 101 | 175.5 | -168.3 | 84 | 0 | 0 | 0 | 108.1 | R266 T268 T274 D280 R281 | R266-L276 PolarHBondContact O-N 2.87Å; T268-L276 HydrophobicContact CG2-CB 4.44Å; T268-L276 HydrophobicContact CG2-CD1 3.73Å; T274-L276 PolarHBondContact O-N 3.15Å; L276-D280 HydrophobicContact CD1-CB 3.65Å; L276-D280 HydrophobicContact CG-CB 4.14Å; L276-R281 HydrophobicContact CD2-CG 3.92Å | ||
| 277 | M | 75.7 | Confident | 80 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | trans | -75.9 | 152.1 | 176.3 | -64.4 | -70.8 | -88.8 | 0 | 0 | 109.5 | L275 C279 D280 N292 | L275-M277 HydrophobicContact CD2-SD 3.71Å; L275-M277 HydrophobicContact CG-SD 4.24Å; L275-M277 PolarHBondContact O-N 2.82Å; L275-M277 VanDerWaalsContact O-N 3.15Å; M277-C279 PolarHBondContact O-N 3.03Å; M277-C279 VanDerWaalsContact O-N 3.09Å; M277-D280 PolarHBondContact N-OD2 3.42Å; M277-D280 WeakPolarHBondContact O-CB 2.94Å; M277-D280 PolarHBondContact O-N 2.95Å; M277-N292 WeakPolarHBondContact CB-ND2 3.3Å; M277-N292 HydrophobicContact CE-CB 3.78Å | ||
| 278 | P | 78.9 | Confident | 80.3 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -52.4 | -36 | -176.7 | -30.2 | 36.6 | 0 | 0 | 0 | 114.5 | D280 R281 P283 N292 Y299 | P278-D280 VanDerWaalsContact C-N 3.32Å; P278-D280 PolarHBondContact O-N 3.09Å; P278-R281 PolarHBondContact O-N 3.25Å; P278-P283 WeakPolarHBondContact O-CD 3.45Å; P278-N292 WeakPolarHBondContact CD-OD1 2.98Å; P278-Y299 HydrophobicContact CB-CD1 3.68Å; P278-Y299 HydrophobicContact CB-CG 4.15Å |
| 279 | C | 85.2 | Confident | 80.9 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -69.5 | -19.6 | 177.4 | -68.8 | 0 | 0 | 0 | 0 | 115.2 | M277 R281 K282 C290 T291 N292 | M277-C279 PolarHBondContact O-N 3.03Å; M277-C279 VanDerWaalsContact O-N 3.09Å; C279-R281 PolarHBondContact O-N 2.8Å; C279-K282 WeakPolarHBondContact O-CA 3.15Å; C279-K282 PolarHBondContact O-N 2.7Å; C279-C290 WeakPolarHBondContact CA-SG 2.97Å; C279-C290 HydrophobicContact CB-CB 3.71Å; C279-C290 WeakPolarHBondContact CB-SG 3.4Å; C279-C290 WeakPolarHBondContact SG-CB 3.36Å; C279-C290 CovalentContact SG-SG 2.04Å; C279-C290 PolarHBondContact SG-SG 3.23Å; C279-T291 PolarHBondContact SG-N 3.26Å; C279-T291 VanDerWaalsContact SG-N 3.45Å; C279-N292 WeakPolarHBondContact CB-OD1 3.3Å; C279-N292 PolarHBondContact N-OD1 3.13Å; C279-N292 PolarHBondContact SG-OD1 3.25Å |
| 280 | D | 80.4 | Confident | 81.7 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -66.2 | -25.2 | 178.5 | -62.8 | -30.1 | 0 | 0 | 0 | 111.9 | L276 M277 P278 K282 | L276-D280 HydrophobicContact CD1-CB 3.65Å; L276-D280 HydrophobicContact CG-CB 4.14Å; M277-D280 PolarHBondContact N-OD2 3.42Å; M277-D280 WeakPolarHBondContact O-CB 2.94Å; M277-D280 PolarHBondContact O-N 2.95Å; P278-D280 VanDerWaalsContact C-N 3.32Å; P278-D280 PolarHBondContact O-N 3.09Å; D280-K282 PolarHBondContact O-N 3.33Å |
| 281 | R | 78.9 | Confident | 82.1 | Confident | 170 Ų | 170 | 66.6 Ų | 66.6 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -80 | 5.7 | 173.6 | -61.9 | -170.3 | -177 | -162.4 | 2.1 | 113.4 | R265 L276 P278 C279 | R265-R281 PolarHBondContact O-NH2 3.21Å; L276-R281 HydrophobicContact CD2-CG 3.92Å; P278-R281 PolarHBondContact O-N 3.25Å; C279-R281 PolarHBondContact O-N 2.8Å |
| 282 | K | 82.9 | Confident | 82.1 | Confident | 179 Ų | 179 | 64.7 Ų | 64.7 | 78% | 0.778 | 35% | 0.35 | S | S | * | . | trans | 46.3 | 59 | -177.3 | -59.5 | -178.4 | -179.7 | -178.7 | 0 | 112.4 | C279 D280 C284 | C279-K282 WeakPolarHBondContact O-CA 3.15Å; C279-K282 PolarHBondContact O-N 2.7Å; D280-K282 PolarHBondContact O-N 3.33Å; K282-C284 VanDerWaalsContact C-N 3.29Å; K282-C284 PolarHBondContact O-N 3Å | ||
| 283 | P | 86.3 | Confident | 81.8 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | trans | -72.7 | -21.2 | -171.4 | 30.2 | -35.7 | 0 | 0 | 0 | 113.7 | P278 Y299 R311 | P278-P283 WeakPolarHBondContact O-CD 3.45Å; P283-Y299 HydrophobicContact CB-CD2 4.06Å; P283-Y299 HydrophobicContact CB-CE1 4.21Å; P283-Y299 HydrophobicContact CB-CE2 3.51Å; P283-Y299 HydrophobicContact CG-CD1 4.27Å; P283-Y299 HydrophobicContact CG-CD2 3.49Å; P283-Y299 VanDerWaalsContact CG-CD2 3.49Å; P283-Y299 HydrophobicContact CG-CE1 4.28Å; P283-Y299 HydrophobicContact CG-CE2 3.49Å; P283-Y299 VanDerWaalsContact CG-CE2 3.49Å; P283-Y299 HydrophobicContact CG-CG 3.9Å; P283-R311 VanDerWaalsContact CA-NH2 3.27Å; P283-R311 PolarHBondContact O-NE 2.06Å; P283-R311 PolarHBondContact O-NH2 2.85Å | ||
| 284 | C | 90.1 | Very high | 81.3 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | trans | -84.1 | 133.3 | -179.4 | -44.9 | 0 | 0 | 0 | 0 | 111.5 | K282 A288 C290 C301 | K282-C284 VanDerWaalsContact C-N 3.29Å; K282-C284 PolarHBondContact O-N 3Å; C284-A288 HydrophobicContact CB-CB 3.68Å; C284-C290 WeakPolarHBondContact SG-CB 3.01Å; C284-C290 VanDerWaalsContact SG-SG 3.65Å; C284-C301 WeakPolarHBondContact CA-SG 3.05Å; C284-C301 HydrophobicContact CB-CB 3.71Å; C284-C301 WeakPolarHBondContact CB-SG 3.47Å; C284-C301 WeakPolarHBondContact SG-CA 3.2Å; C284-C301 WeakPolarHBondContact SG-CB 3.03Å; C284-C301 CovalentContact SG-SG 2.02Å; C284-C301 PolarHBondContact SG-SG 3.21Å | ||
| 285 | M | 86 | Confident | 81.1 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | trans | -90.5 | 173.6 | 177.9 | -66.4 | -168.6 | 159.2 | 0 | 0 | 111.8 | G287 A288 R311 E313 | M285-G287 PolarHBondContact O-N 3.03Å; M285-A288 VanDerWaalsContact O-CB 3.29Å; M285-A288 WeakPolarHBondContact O-CB 3.5Å; M285-A288 PolarHBondContact O-N 3.22Å; M285-R311 PolarHBondContact N-O 2.77Å; M285-E313 HydrophobicContact SD-CB 3.78Å | ||
| 286 | N | 83.8 | Confident | 80.9 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.8 | 169.2 | -61 | -41.6 | 0 | 0 | 0 | 116.1 | A288 P304 F307 C312 | N286-A288 VanDerWaalsContact C-N 3.33Å; N286-P304 WeakPolarHBondContact O-CG 3.18Å; N286-F307 HydrophobicContact CB-CD1 3.68Å; N286-F307 HydrophobicContact CB-CD2 3.69Å; N286-F307 HydrophobicContact CB-CE1 3.68Å; N286-F307 HydrophobicContact CB-CE2 3.69Å; N286-F307 HydrophobicContact CB-CG 3.69Å; N286-F307 HydrophobicContact CB-CZ 3.69Å; N286-F307 WeakPolarHBondContact ND2-CD1 3.35Å; N286-F307 VanDerWaalsContact ND2-CE1 3.32Å; N286-F307 WeakPolarHBondContact ND2-CE1 3.01Å; N286-C312 PolarHBondContact ND2-O 3.23Å |
| 287 | G | 80.4 | Confident | 80.9 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 78% | 0.784 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 15.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M285 | M285-G287 PolarHBondContact O-N 3.03Š|
| 288 | A | 85.8 | Confident | 81 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -66 | 146.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C284 M285 N286 T302 C312 | C284-A288 HydrophobicContact CB-CB 3.68Å; M285-A288 VanDerWaalsContact O-CB 3.29Å; M285-A288 WeakPolarHBondContact O-CB 3.5Å; M285-A288 PolarHBondContact O-N 3.22Å; N286-A288 VanDerWaalsContact C-N 3.33Å; A288-T302 WeakPolarHBondContact CB-O 3.33Å; A288-C312 HydrophobicContact CB-CB 3.71Å; A288-C312 WeakPolarHBondContact CB-SG 3.39Å |
| 289 | N | 89.2 | Confident | 81.3 | Confident | 113 Ų | 113 | 80.9 Ų | 80.9 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.5 | 178.9 | -163.6 | 11.2 | 0 | 0 | 0 | 110.2 | T302 | N289-T302 PolarHBondContact N-O 2.9Å; N289-T302 VanDerWaalsContact N-O 3.15Å; N289-T302 PolarHBondContact O-N 2.68Å |
| 290 | C | 89.9 | Confident | 81.4 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.6 | -177.8 | -169.5 | 0 | 0 | 0 | 0 | 110.5 | C279 C284 | C279-C290 WeakPolarHBondContact CA-SG 2.97Å; C279-C290 HydrophobicContact CB-CB 3.71Å; C279-C290 WeakPolarHBondContact CB-SG 3.4Å; C279-C290 WeakPolarHBondContact SG-CB 3.36Å; C279-C290 CovalentContact SG-SG 2.04Å; C279-C290 PolarHBondContact SG-SG 3.23Å; C284-C290 WeakPolarHBondContact SG-CB 3.01Å; C284-C290 VanDerWaalsContact SG-SG 3.65Å |
| 291 | T | 88.2 | Confident | 81.8 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.5 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | C279 Y299 T300 | C279-T291 PolarHBondContact SG-N 3.26Å; C279-T291 VanDerWaalsContact SG-N 3.45Å; T291-Y299 CarbonylContact O-C 3.6Å; T291-Y299 WeakPolarHBondContact O-CA 3.36Å; T291-T300 PolarHBondContact N-O 3.14Å; T291-T300 PolarHBondContact O-N 3.01Å; T291-T300 PolarHBondContact OG1-O 3.01Å |
| 292 | N | 83.9 | Confident | 82.3 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 32% | 0.316 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 148.6 | 174.3 | -61.5 | -55.7 | 0 | 0 | 0 | 110 | M277 P278 C279 | M277-N292 WeakPolarHBondContact CB-ND2 3.3Å; M277-N292 HydrophobicContact CE-CB 3.78Å; P278-N292 WeakPolarHBondContact CD-OD1 2.98Å; C279-N292 WeakPolarHBondContact CB-OD1 3.3Å; C279-N292 PolarHBondContact N-OD1 3.13Å; C279-N292 PolarHBondContact SG-OD1 3.25Å |
| 293 | S | 78 | Confident | 82.4 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | trans | -68.3 | 157.5 | 168.7 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | D295 G296 R297 A298 | S293-D295 VanDerWaalsContact CB-OD1 3.25Å; S293-D295 WeakPolarHBondContact CB-OD1 2.99Å; S293-D295 PolarHBondContact O-N 2.88Å; S293-D295 PolarHBondContact OG-OD1 3.05Å; S293-G296 PolarHBondContact O-N 3.19Å; S293-R297 PolarHBondContact OG-N 2.76Å; S293-A298 PolarHBondContact N-O 2.72Å; S293-A298 WeakPolarHBondContact OG-CA 3.3Å; S293-A298 WeakPolarHBondContact OG-CB 3.39Å; S293-A298 PolarHBondContact OG-N 3.46Å; S293-A298 PolarHBondContact OG-O 3.35Å; S293-A298 VanDerWaalsContact OG-O 3.12Å | ||
| 294 | L | 69 | Low | 82.1 | Confident | 194 Ų | 194 | 72.5 Ų | 72.5 | 100% | 1.016 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.6 | -179.4 | -80.4 | 152.3 | 0 | 0 | 0 | 113.7 | ||
| 295 | D | 68.3 | Low | 81.2 | Confident | 104 Ų | 104 | 80 Ų | 80 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.3 | 177.7 | 70.3 | -21.1 | 0 | 0 | 0 | 113.6 | S293 R297 | S293-D295 VanDerWaalsContact CB-OD1 3.25Å; S293-D295 WeakPolarHBondContact CB-OD1 2.99Å; S293-D295 PolarHBondContact O-N 2.88Å; S293-D295 PolarHBondContact OG-OD1 3.05Å; D295-R297 PolarHBondContact O-N 3.45Å; D295-R297 PolarHBondContact OD1-N 3.12Å |
| 296 | G | 67.2 | Low | 80.4 | Confident | 21 Ų | 21 | 79.6 Ų | 79.6 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 69.3 | 12.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S293 | S293-G296 PolarHBondContact O-N 3.19Š|
| 297 | R | 71.6 | Confident | 80.3 | Confident | 205 Ų | 205 | 77.8 Ų | 77.8 | 77% | 0.774 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -101.2 | -19.4 | -177 | -61.6 | -176.8 | -178.7 | -166 | 2.4 | 114.1 | S293 D295 | S293-R297 PolarHBondContact OG-N 2.76Å; D295-R297 PolarHBondContact O-N 3.45Å; D295-R297 PolarHBondContact OD1-N 3.12Å |
| 298 | A | 76.8 | Confident | 80.3 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | trans | -128 | 169.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S293 | S293-A298 PolarHBondContact N-O 2.72Å; S293-A298 WeakPolarHBondContact OG-CA 3.3Å; S293-A298 WeakPolarHBondContact OG-CB 3.39Å; S293-A298 PolarHBondContact OG-N 3.46Å; S293-A298 PolarHBondContact OG-O 3.35Å; S293-A298 VanDerWaalsContact OG-O 3.12Å | ||
| 299 | Y | 84.7 | Confident | 79.9 | Confident | 83 Ų | 83 | 77.9 Ų | 77.9 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156.5 | 171.5 | 61.8 | -75.7 | 0 | 0 | 0 | 110.2 | P278 P283 T291 C301 | P278-Y299 HydrophobicContact CB-CD1 3.68Å; P278-Y299 HydrophobicContact CB-CG 4.15Å; P283-Y299 HydrophobicContact CB-CD2 4.06Å; P283-Y299 HydrophobicContact CB-CE1 4.21Å; P283-Y299 HydrophobicContact CB-CE2 3.51Å; P283-Y299 HydrophobicContact CG-CD1 4.27Å; P283-Y299 HydrophobicContact CG-CD2 3.49Å; P283-Y299 VanDerWaalsContact CG-CD2 3.49Å; P283-Y299 HydrophobicContact CG-CE1 4.28Å; P283-Y299 HydrophobicContact CG-CE2 3.49Å; P283-Y299 VanDerWaalsContact CG-CE2 3.49Å; P283-Y299 HydrophobicContact CG-CG 3.9Å; T291-Y299 CarbonylContact O-C 3.6Å; T291-Y299 WeakPolarHBondContact O-CA 3.36Å; Y299-C301 VanDerWaalsContact CE2-SG 3.58Å |
| 300 | T | 87.1 | Confident | 79.6 | Confident | 88 Ų | 88 | 77 Ų | 77 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.2 | 169.3 | -52.4 | 0 | 0 | 0 | 0 | 108.5 | T291 | T291-T300 PolarHBondContact N-O 3.14Å; T291-T300 PolarHBondContact O-N 3.01Å; T291-T300 PolarHBondContact OG1-O 3.01Å |
| 301 | C | 90 | Very high | 79.5 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 11% | 0.108 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | C284 Y299 C303 | C284-C301 WeakPolarHBondContact CA-SG 3.05Å; C284-C301 HydrophobicContact CB-CB 3.71Å; C284-C301 WeakPolarHBondContact CB-SG 3.47Å; C284-C301 WeakPolarHBondContact SG-CA 3.2Å; C284-C301 WeakPolarHBondContact SG-CB 3.03Å; C284-C301 CovalentContact SG-SG 2.02Å; C284-C301 PolarHBondContact SG-SG 3.21Å; Y299-C301 VanDerWaalsContact CE2-SG 3.58Å; C301-C303 PolarHBondContact O-N 3.39Å |
| 302 | T | 89 | Confident | 79.4 | Confident | 84 Ų | 84 | 77 Ų | 77 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 101.5 | 173.1 | -37.2 | 0 | 0 | 0 | 0 | 108.4 | A288 N289 | A288-T302 WeakPolarHBondContact CB-O 3.33Å; N289-T302 PolarHBondContact N-O 2.9Å; N289-T302 VanDerWaalsContact N-O 3.15Å; N289-T302 PolarHBondContact O-N 2.68Å |
| 303 | C | 84.9 | Confident | 79.4 | Confident | 45 Ų | 45 | 77.9 Ų | 77.9 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | trans | -70.6 | 137.7 | -174.2 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | C301 F307 C312 | C301-C303 PolarHBondContact O-N 3.39Å; C303-F307 HydrophobicContact CB-CB 4.45Å; C303-F307 VanDerWaalsContact CB-O 3.22Å; C303-F307 WeakPolarHBondContact CB-O 3.49Å; C303-C312 WeakPolarHBondContact CA-SG 3.31Å; C303-C312 HydrophobicContact CB-CB 3.75Å; C303-C312 WeakPolarHBondContact CB-SG 3.4Å; C303-C312 WeakPolarHBondContact SG-CA 3.3Å; C303-C312 WeakPolarHBondContact SG-CB 3.39Å; C303-C312 CovalentContact SG-SG 2.03Å; C303-C312 PolarHBondContact SG-SG 3Å | ||
| 304 | P | 79.9 | Confident | 79.5 | Confident | 49 Ų | 49 | 81.8 Ų | 81.8 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | trans | -61.6 | 163.6 | 169.6 | -17.3 | 31.4 | 0 | 0 | 0 | 110.2 | N286 Q306 F307 | N286-P304 WeakPolarHBondContact O-CG 3.18Å; P304-Q306 PolarHBondContact O-N 2.73Å; P304-F307 HydrophobicContact CB-CD2 4.49Å; P304-F307 PolarHBondContact O-N 3.21Å | ||
| 305 | Q | 70.7 | Confident | 79.7 | Confident | 177 Ų | 177 | 78 Ų | 78 | 83% | 0.827 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 39.6 | -176 | -76.8 | -144.3 | -7.1 | 0 | 0 | 115.8 | R338 | Q305-R338 VanDerWaalsContact O-CZ 3.28Å; Q305-R338 PolarHBondContact O-NH1 2.74Å; Q305-R338 PolarHBondContact O-NH2 2.88Å |
| 306 | Q | 70.2 | Confident | 79.8 | Confident | 87 Ų | 87 | 76 Ų | 76 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.7 | -6.7 | 175.8 | -54.6 | -166 | -27.6 | 0 | 0 | 113.3 | P304 I316 | P304-Q306 PolarHBondContact O-N 2.73Å; Q306-I316 PolarHBondContact O-N 2.81Å |
| 307 | F | 82.1 | Confident | 79.9 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.1 | -168.5 | -60.2 | -82.2 | 0 | 0 | 0 | 112 | N286 C303 P304 C312 E314 E315 I316 | N286-F307 HydrophobicContact CB-CD1 3.68Å; N286-F307 HydrophobicContact CB-CD2 3.69Å; N286-F307 HydrophobicContact CB-CE1 3.68Å; N286-F307 HydrophobicContact CB-CE2 3.69Å; N286-F307 HydrophobicContact CB-CG 3.69Å; N286-F307 HydrophobicContact CB-CZ 3.69Å; N286-F307 WeakPolarHBondContact ND2-CD1 3.35Å; N286-F307 VanDerWaalsContact ND2-CE1 3.32Å; N286-F307 WeakPolarHBondContact ND2-CE1 3.01Å; C303-F307 HydrophobicContact CB-CB 4.45Å; C303-F307 VanDerWaalsContact CB-O 3.22Å; C303-F307 WeakPolarHBondContact CB-O 3.49Å; P304-F307 HydrophobicContact CB-CD2 4.49Å; P304-F307 PolarHBondContact O-N 3.21Å; F307-C312 HydrophobicContact CB-CB 4.11Å; F307-E314 CarbonylContact C-O 3.4Å; F307-E314 WeakPolarHBondContact CA-O 3.47Å; F307-E315 HydrophobicContact CD1-CB 4.48Å; F307-E315 HydrophobicContact CE1-CB 4.44Å; F307-E315 HydrophobicContact CE1-CG 4.42Å; F307-I316 WeakPolarHBondContact O-CD1 3.48Å |
| 308 | T | 79.1 | Confident | 80 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -177.7 | 176.6 | -166.8 | 0 | 0 | 0 | 0 | 109.9 | C312 E313 E314 I316 | T308-C312 CarbonylContact O-C 3.45Å; T308-C312 VanDerWaalsContact O-C 3.29Å; T308-C312 WeakPolarHBondContact O-CA 3.43Å; T308-E313 PolarHBondContact O-N 2.93Å; T308-E314 HydrophobicContact CG2-CB 3.84Å; T308-E314 PolarHBondContact N-O 2.61Å; T308-E314 PolarHBondContact O-N 2.79Å; T308-I316 HydrophobicContact CG2-CG1 3.93Å |
| 309 | G | 77.5 | Confident | 80.2 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 92.4 | 161.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R311 C312 | G309-R311 PolarHBondContact O-N 2.77Å; G309-R311 VanDerWaalsContact O-N 3.17Å; G309-C312 PolarHBondContact O-N 3.26Å; G309-C312 VanDerWaalsContact O-N 3.08Å |
| 310 | S | 83.2 | Confident | 80 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -22.3 | -174.4 | 65.7 | 0 | 0 | 0 | 0 | 114 | E313 | S310-E313 PolarHBondContact N-OE2 3.07Š|
| 311 | R | 87.6 | Confident | 79.5 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 13.3 | 177.2 | -52.4 | -179.3 | 83.4 | -149.7 | 3.5 | 111.5 | P283 M285 G309 E313 | P283-R311 VanDerWaalsContact CA-NH2 3.27Å; P283-R311 PolarHBondContact O-NE 2.06Å; P283-R311 PolarHBondContact O-NH2 2.85Å; M285-R311 PolarHBondContact N-O 2.77Å; G309-R311 PolarHBondContact O-N 2.77Å; G309-R311 VanDerWaalsContact O-N 3.17Å; R311-E313 WeakPolarHBondContact CA-OE2 3.23Å; R311-E313 WeakPolarHBondContact CB-OE2 3.46Å; R311-E313 PolarHBondContact N-OE2 3.15Å; R311-E313 PolarHBondContact O-N 3.21Å |
| 312 | C | 86 | Confident | 78.9 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 58.4 | 32.2 | -175.4 | -45.9 | 0 | 0 | 0 | 0 | 113.6 | N286 A288 C303 F307 T308 G309 | N286-C312 PolarHBondContact ND2-O 3.23Å; A288-C312 HydrophobicContact CB-CB 3.71Å; A288-C312 WeakPolarHBondContact CB-SG 3.39Å; C303-C312 WeakPolarHBondContact CA-SG 3.31Å; C303-C312 HydrophobicContact CB-CB 3.75Å; C303-C312 WeakPolarHBondContact CB-SG 3.4Å; C303-C312 WeakPolarHBondContact SG-CA 3.3Å; C303-C312 WeakPolarHBondContact SG-CB 3.39Å; C303-C312 CovalentContact SG-SG 2.03Å; C303-C312 PolarHBondContact SG-SG 3Å; F307-C312 HydrophobicContact CB-CB 4.11Å; T308-C312 CarbonylContact O-C 3.45Å; T308-C312 VanDerWaalsContact O-C 3.29Å; T308-C312 WeakPolarHBondContact O-CA 3.43Å; G309-C312 PolarHBondContact O-N 3.26Å; G309-C312 VanDerWaalsContact O-N 3.08Å |
| 313 | E | 85.3 | Confident | 78.8 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | trans | -82.2 | -21 | -175.5 | 66.9 | -85 | -140.7 | 0 | 0 | 113.4 | M285 T308 S310 R311 | M285-E313 HydrophobicContact SD-CB 3.78Å; T308-E313 PolarHBondContact O-N 2.93Å; S310-E313 PolarHBondContact N-OE2 3.07Å; R311-E313 WeakPolarHBondContact CA-OE2 3.23Å; R311-E313 WeakPolarHBondContact CB-OE2 3.46Å; R311-E313 PolarHBondContact N-OE2 3.15Å; R311-E313 PolarHBondContact O-N 3.21Å | ||
| 314 | E | 79.3 | Confident | 78.9 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134 | -177.1 | -55.5 | -171.7 | 162.1 | 0 | 0 | 110.7 | F307 T308 | F307-E314 CarbonylContact C-O 3.4Å; F307-E314 WeakPolarHBondContact CA-O 3.47Å; T308-E314 HydrophobicContact CG2-CB 3.84Å; T308-E314 PolarHBondContact N-O 2.61Å; T308-E314 PolarHBondContact O-N 2.79Å |
| 315 | E | 72.5 | Confident | 79.1 | Confident | 115 Ų | 115 | 68.4 Ų | 68.4 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.2 | 172.2 | -166.6 | -171.5 | -144.8 | 0 | 0 | 109.3 | F307 N317 K332 | F307-E315 HydrophobicContact CD1-CB 4.48Å; F307-E315 HydrophobicContact CE1-CB 4.44Å; F307-E315 HydrophobicContact CE1-CG 4.42Å; E315-N317 PolarHBondContact O-N 2.86Å; E315-K332 IonicContact OE2-NZ 2.7Å; E315-K332 PolarHBondContact OE2-NZ 2.03Å |
| 316 | I | 70.5 | Confident | 79.5 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | trans | -63.5 | 113.9 | 176.5 | -65.9 | 171.3 | 0 | 0 | 0 | 107.8 | Q306 F307 T308 P318 | Q306-I316 PolarHBondContact O-N 2.81Å; F307-I316 WeakPolarHBondContact O-CD1 3.48Å; T308-I316 HydrophobicContact CG2-CG1 3.93Å; I316-P318 WeakPolarHBondContact O-CD 3.18Å; I316-P318 VanDerWaalsContact O-N 3.17Å | ||
| 317 | N | 70.5 | Confident | 79.7 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -68 | 109.1 | 168.1 | -177.5 | -1.3 | 0 | 0 | 0 | 108.3 | E315 C319 S320 | E315-N317 PolarHBondContact O-N 2.86Å; N317-C319 PolarHBondContact O-N 2.04Å; N317-C319 WeakPolarHBondContact OD1-CB 3.38Å; N317-C319 PolarHBondContact OD1-N 3.26Å; N317-C319 VanDerWaalsContact OD1-N 3.09Å; N317-S320 WeakPolarHBondContact O-CB 3.38Å; N317-S320 PolarHBondContact O-N 3.39Å; N317-S320 PolarHBondContact O-OG 3.2Å | ||
| 318 | P | 72.5 | Confident | 79.7 | Confident | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.104 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.6 | -177 | 28.1 | -34.4 | 0 | 0 | 0 | 112.6 | I316 P323 K332 R338 Y339 | I316-P318 WeakPolarHBondContact O-CD 3.18Å; I316-P318 VanDerWaalsContact O-N 3.17Å; P318-P323 WeakPolarHBondContact O-CG 3.22Å; P318-K332 HydrophobicContact CG-CG 4.33Å; P318-R338 HydrophobicContact CB-CB 4.37Å; P318-R338 HydrophobicContact CG-CB 4.08Å; P318-R338 WeakPolarHBondContact CG-O 3Å; P318-Y339 HydrophobicContact CB-CD1 4.11Å |
| 319 | C | 82.1 | Confident | 80 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.3 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 114.5 | N317 S321 S322 C330 | N317-C319 PolarHBondContact O-N 2.04Å; N317-C319 WeakPolarHBondContact OD1-CB 3.38Å; N317-C319 PolarHBondContact OD1-N 3.26Å; N317-C319 VanDerWaalsContact OD1-N 3.09Å; C319-S321 VanDerWaalsContact C-N 3.32Å; C319-S321 PolarHBondContact O-N 3.37Å; C319-S322 PolarHBondContact O-N 3.18Å; C319-S322 VanDerWaalsContact O-N 3.13Å; C319-C330 WeakPolarHBondContact CA-SG 3.33Å; C319-C330 HydrophobicContact CB-CB 3.66Å; C319-C330 WeakPolarHBondContact CB-SG 3.18Å; C319-C330 WeakPolarHBondContact SG-CB 3.36Å; C319-C330 CovalentContact SG-SG 2.04Å; C319-C330 PolarHBondContact SG-SG 2.7Å |
| 320 | S | 79.2 | Confident | 80.5 | Confident | 89 Ų | 89 | 68 Ų | 68 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.7 | -176.8 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | N317 S322 | N317-S320 WeakPolarHBondContact O-CB 3.38Å; N317-S320 PolarHBondContact O-N 3.39Å; N317-S320 PolarHBondContact O-OG 3.2Å; S320-S322 PolarHBondContact O-N 3.06Å |
| 321 | S | 77.2 | Confident | 80.6 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 2.6 | 173.2 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | C319 | C319-S321 VanDerWaalsContact C-N 3.32Å; C319-S321 PolarHBondContact O-N 3.37Å |
| 322 | S | 78.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 67% | 0.671 | 38% | 0.379 | S | S | * | . | trans | 50.3 | 56.3 | -174.1 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | C319 S320 C324 | C319-S322 PolarHBondContact O-N 3.18Å; C319-S322 VanDerWaalsContact O-N 3.13Å; S320-S322 PolarHBondContact O-N 3.06Å; S322-C324 PolarHBondContact O-N 3.31Å; S322-C324 VanDerWaalsContact O-N 3.13Å | ||
| 323 | P | 85.3 | Confident | 79.8 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | trans | -68.7 | -11.3 | -174.2 | 30.7 | -37.5 | 0 | 0 | 0 | 113.8 | P318 Y339 H351 | P318-P323 WeakPolarHBondContact O-CG 3.22Å; P323-Y339 HydrophobicContact CB-CD2 4.26Å; P323-Y339 HydrophobicContact CB-CE1 4.44Å; P323-Y339 HydrophobicContact CB-CE2 3.89Å; P323-Y339 HydrophobicContact CG-CD1 4.44Å; P323-Y339 HydrophobicContact CG-CD2 3.82Å; P323-Y339 HydrophobicContact CG-CE2 3.99Å; P323-Y339 HydrophobicContact CG-CG 4.11Å; P323-H351 WeakPolarHBondContact O-CB 3.34Å; P323-H351 PolarHBondContact O-ND1 2.76Å | ||
| 324 | C | 88.1 | Confident | 79.3 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 13% | 0.128 | 42% | 0.418 | C | S | . | . | trans | -100 | 127.2 | -177 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | S322 S328 C330 C341 | S322-C324 PolarHBondContact O-N 3.31Å; S322-C324 VanDerWaalsContact O-N 3.13Å; C324-S328 VanDerWaalsContact CB-OG 3.26Å; C324-S328 WeakPolarHBondContact CB-OG 3.04Å; C324-C330 HydrophobicContact CB-CB 4.39Å; C324-C330 WeakPolarHBondContact SG-CB 3.19Å; C324-C341 WeakPolarHBondContact CA-SG 3.29Å; C324-C341 HydrophobicContact CB-CB 3.72Å; C324-C341 WeakPolarHBondContact CB-SG 3.11Å; C324-C341 WeakPolarHBondContact SG-CA 3.31Å; C324-C341 WeakPolarHBondContact SG-CB 3.17Å; C324-C341 CovalentContact SG-SG 2.02Å; C324-C341 PolarHBondContact SG-SG 2.75Å | ||
| 325 | S | 84.6 | Confident | 78.9 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | trans | -84.7 | 173.3 | -179.6 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | M327 S328 H351 | S325-M327 VanDerWaalsContact C-N 3.31Å; S325-M327 PolarHBondContact O-N 3.41Å; S325-M327 VanDerWaalsContact O-N 3.15Å; S325-S328 WeakPolarHBondContact O-CB 3.23Å; S325-S328 PolarHBondContact O-N 3.06Å; S325-S328 VanDerWaalsContact O-N 3.07Å; S325-S328 PolarHBondContact O-OG 3.39Å; S325-H351 WeakPolarHBondContact CB-O 3.26Å; S325-H351 PolarHBondContact N-O 2.03Å | ||
| 326 | N | 78.6 | Confident | 78.9 | Confident | 76 Ų | 76 | 74 Ų | 74 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.4 | 168.4 | -60.3 | -41.8 | 0 | 0 | 0 | 115.4 | S328 F347 C352 | N326-S328 PolarHBondContact O-N 3.44Å; N326-S328 VanDerWaalsContact O-N 3.12Å; N326-F347 HydrophobicContact CB-CD1 4.01Å; N326-F347 HydrophobicContact CB-CD2 4.22Å; N326-F347 HydrophobicContact CB-CE1 3.9Å; N326-F347 HydrophobicContact CB-CE2 4.11Å; N326-F347 HydrophobicContact CB-CG 4.17Å; N326-F347 HydrophobicContact CB-CZ 3.95Å; N326-F347 VanDerWaalsContact CG-CE1 3.47Å; N326-F347 WeakPolarHBondContact ND2-CD1 3.31Å; N326-F347 VanDerWaalsContact ND2-CE1 3.26Å; N326-F347 WeakPolarHBondContact ND2-CE1 3.29Å; N326-C352 PolarHBondContact ND2-O 3.35Å |
| 327 | M | 74 | Confident | 78.9 | Confident | 183 Ų | 183 | 74.8 Ų | 74.8 | 90% | 0.901 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 18 | 179.9 | -54.1 | 176.5 | 65.2 | 0 | 0 | 114.4 | S325 | S325-M327 VanDerWaalsContact C-N 3.31Å; S325-M327 PolarHBondContact O-N 3.41Å; S325-M327 VanDerWaalsContact O-N 3.15Å |
| 328 | S | 81.5 | Confident | 79.2 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 10% | 0.098 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 149.8 | 176.9 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | C324 S325 N326 I342 C352 | C324-S328 VanDerWaalsContact CB-OG 3.26Å; C324-S328 WeakPolarHBondContact CB-OG 3.04Å; S325-S328 WeakPolarHBondContact O-CB 3.23Å; S325-S328 PolarHBondContact O-N 3.06Å; S325-S328 VanDerWaalsContact O-N 3.07Å; S325-S328 PolarHBondContact O-OG 3.39Å; N326-S328 PolarHBondContact O-N 3.44Å; N326-S328 VanDerWaalsContact O-N 3.12Å; S328-I342 VanDerWaalsContact CB-O 3.29Å; S328-I342 WeakPolarHBondContact CB-O 3.16Å; S328-C352 VanDerWaalsContact OG-CB 3.31Å; S328-C352 WeakPolarHBondContact OG-CB 3.21Å |
| 329 | T | 86.2 | Confident | 79.7 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.6 | -174.7 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | V331 I342 | T329-V331 HydrophobicContact CG2-CG1 4.23Å; T329-I342 PolarHBondContact N-O 3.11Å; T329-I342 PolarHBondContact O-N 2.79Å |
| 330 | C | 87.6 | Confident | 79.8 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 22% | 0.216 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.2 | 171 | -173 | 0 | 0 | 0 | 0 | 110.8 | C319 C324 | C319-C330 WeakPolarHBondContact CA-SG 3.33Å; C319-C330 HydrophobicContact CB-CB 3.66Å; C319-C330 WeakPolarHBondContact CB-SG 3.18Å; C319-C330 WeakPolarHBondContact SG-CB 3.36Å; C319-C330 CovalentContact SG-SG 2.04Å; C319-C330 PolarHBondContact SG-SG 2.7Å; C324-C330 HydrophobicContact CB-CB 4.39Å; C324-C330 WeakPolarHBondContact SG-CB 3.19Å |
| 331 | V | 85.5 | Confident | 80.3 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 34% | 0.339 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.4 | 170.8 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | T329 A333 Y339 K340 I342 | T329-V331 HydrophobicContact CG2-CG1 4.23Å; V331-A333 PolarHBondContact O-N 3.3Å; V331-Y339 CarbonylContact O-C 3.59Å; V331-Y339 WeakPolarHBondContact O-CA 3.22Å; V331-K340 HydrophobicContact CG2-CB 4.17Å; V331-K340 WeakPolarHBondContact CG2-O 3.33Å; V331-K340 PolarHBondContact N-O 3.4Å; V331-K340 PolarHBondContact O-N 3.31Å; V331-I342 HydrophobicContact CG1-CD1 3.93Å; V331-I342 HydrophobicContact CG2-CD1 4.15Å; V331-I342 HydrophobicContact CG2-CG1 4.31Å |
| 332 | K | 80.6 | Confident | 80.8 | Confident | 117 Ų | 117 | 76.8 Ų | 76.8 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 127.7 | 166.3 | -72.4 | -171.1 | 175.6 | -171.5 | 0 | 108 | E315 P318 | E315-K332 IonicContact OE2-NZ 2.7Å; E315-K332 PolarHBondContact OE2-NZ 2.03Å; P318-K332 HydrophobicContact CG-CG 4.33Å |
| 333 | A | 76.5 | Confident | 81 | Confident | 27 Ų | 27 | 74.4 Ų | 74.4 | 22% | 0.223 | 40% | 0.399 | C | S | . | . | trans | -131.7 | 148.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V331 T335 R338 K340 | V331-A333 PolarHBondContact O-N 3.3Å; A333-T335 HydrophobicContact CB-CG2 4.29Å; A333-T335 PolarHBondContact O-N 2.85Å; A333-R338 PolarHBondContact N-O 3.13Å; A333-R338 CarbonylContact O-C 3.54Å; A333-R338 VanDerWaalsContact O-C 3.31Å; A333-R338 WeakPolarHBondContact O-CA 3.22Å; A333-K340 HydrophobicContact CB-CB 3.59Å | ||
| 334 | N | 73.9 | Confident | 80.8 | Confident | 181 Ų | 181 | 78.7 Ų | 78.7 | 97% | 0.968 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -84 | 61.6 | 178.1 | -152.1 | 11.3 | 0 | 0 | 0 | 110.2 | ||
| 335 | T | 70.7 | Confident | 80.2 | Confident | 70 Ų | 70 | 84.8 Ų | 84.8 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -122.4 | 164.3 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | A333 D337 R338 Y339 | A333-T335 HydrophobicContact CB-CG2 4.29Å; A333-T335 PolarHBondContact O-N 2.85Å; T335-D337 PolarHBondContact O-N 3.34Å; T335-D337 VanDerWaalsContact O-N 3.1Å; T335-R338 PolarHBondContact O-N 2.78Å; T335-Y339 PolarHBondContact OG1-O 2.02Å |
| 336 | D | 72.9 | Confident | 79.6 | Confident | 172 Ų | 172 | 84.9 Ų | 84.9 | 92% | 0.92 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -32.2 | 178.4 | -73.4 | -22.7 | 0 | 0 | 0 | 112.8 | ||
| 337 | D | 70.1 | Confident | 79.8 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7 | 177.6 | -64.2 | -66.2 | 0 | 0 | 0 | 114.8 | T335 Y339 K350 | T335-D337 PolarHBondContact O-N 3.34Å; T335-D337 VanDerWaalsContact O-N 3.1Å; D337-Y339 HydrophobicContact CB-CD1 4.34Å; D337-Y339 HydrophobicContact CB-CE1 4Å; D337-Y339 WeakPolarHBondContact O-CD1 3.39Å; D337-Y339 PolarHBondContact O-N 2.04Å; D337-K350 VanDerWaalsContact CG-CE 3.41Å; D337-K350 IonicContact OD1-NZ 2.7Å; D337-K350 PolarHBondContact OD1-NZ 2.76Å; D337-K350 WeakPolarHBondContact OD2-CE 3.26Å; D337-K350 IonicContact OD2-NZ 3.61Å; D337-K350 PolarHBondContact OD2-NZ 2.77Å |
| 338 | R | 76.9 | Confident | 80.1 | Confident | 70 Ų | 70 | 78 Ų | 78 | 26% | 0.264 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 61.1 | -6.1 | -178 | -55.2 | -162.4 | -61.2 | -89.3 | 11.5 | 118.3 | Q305 P318 A333 T335 | Q305-R338 VanDerWaalsContact O-CZ 3.28Å; Q305-R338 PolarHBondContact O-NH1 2.74Å; Q305-R338 PolarHBondContact O-NH2 2.88Å; P318-R338 HydrophobicContact CB-CB 4.37Å; P318-R338 HydrophobicContact CG-CB 4.08Å; P318-R338 WeakPolarHBondContact CG-O 3Å; A333-R338 PolarHBondContact N-O 3.13Å; A333-R338 CarbonylContact O-C 3.54Å; A333-R338 VanDerWaalsContact O-C 3.31Å; A333-R338 WeakPolarHBondContact O-CA 3.22Å; T335-R338 PolarHBondContact O-N 2.78Å |
| 339 | Y | 83.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 160.6 | 170.9 | 70.1 | -81.9 | 0 | 0 | 0 | 111.4 | P318 P323 V331 T335 D337 K350 H351 | P318-Y339 HydrophobicContact CB-CD1 4.11Å; P323-Y339 HydrophobicContact CB-CD2 4.26Å; P323-Y339 HydrophobicContact CB-CE1 4.44Å; P323-Y339 HydrophobicContact CB-CE2 3.89Å; P323-Y339 HydrophobicContact CG-CD1 4.44Å; P323-Y339 HydrophobicContact CG-CD2 3.82Å; P323-Y339 HydrophobicContact CG-CE2 3.99Å; P323-Y339 HydrophobicContact CG-CG 4.11Å; V331-Y339 CarbonylContact O-C 3.59Å; V331-Y339 WeakPolarHBondContact O-CA 3.22Å; T335-Y339 PolarHBondContact OG1-O 2.02Å; D337-Y339 HydrophobicContact CB-CD1 4.34Å; D337-Y339 HydrophobicContact CB-CE1 4Å; D337-Y339 WeakPolarHBondContact O-CD1 3.39Å; D337-Y339 PolarHBondContact O-N 2.04Å; Y339-K350 WeakPolarHBondContact OH-CE 3.23Å; Y339-H351 AromaticContact CZ-CE1 3.84Å; Y339-H351 PolarHBondContact OH-CE1 2.91Å; Y339-H351 PolarHBondContact OH-ND1 2.86Å |
| 340 | K | 85.2 | Confident | 79.8 | Confident | 130 Ų | 130 | 79.5 Ų | 79.5 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.7 | 169.3 | -177.3 | 177.8 | -179.2 | -179.5 | 0 | 108.9 | V331 A333 | V331-K340 HydrophobicContact CG2-CB 4.17Å; V331-K340 WeakPolarHBondContact CG2-O 3.33Å; V331-K340 PolarHBondContact N-O 3.4Å; V331-K340 PolarHBondContact O-N 3.31Å; A333-K340 HydrophobicContact CB-CB 3.59Å |
| 341 | C | 89 | Confident | 79.9 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 9% | 0.088 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.6 | 171.4 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | C324 K350 C352 | C324-C341 WeakPolarHBondContact CA-SG 3.29Å; C324-C341 HydrophobicContact CB-CB 3.72Å; C324-C341 WeakPolarHBondContact CB-SG 3.11Å; C324-C341 WeakPolarHBondContact SG-CA 3.31Å; C324-C341 WeakPolarHBondContact SG-CB 3.17Å; C324-C341 CovalentContact SG-SG 2.02Å; C324-C341 PolarHBondContact SG-SG 2.75Å; C341-K350 PolarHBondContact SG-O 3.47Å; C341-K350 VanDerWaalsContact SG-O 3.4Å; C341-C352 WeakPolarHBondContact CB-SG 3.44Å |
| 342 | I | 87.1 | Confident | 79.9 | Confident | 93 Ų | 93 | 78.2 Ų | 78.2 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 101.8 | 171.9 | -56.8 | 175.4 | 0 | 0 | 0 | 106.7 | S328 T329 V331 | S328-I342 VanDerWaalsContact CB-O 3.29Å; S328-I342 WeakPolarHBondContact CB-O 3.16Å; T329-I342 PolarHBondContact N-O 3.11Å; T329-I342 PolarHBondContact O-N 2.79Å; V331-I342 HydrophobicContact CG1-CD1 3.93Å; V331-I342 HydrophobicContact CG2-CD1 4.15Å; V331-I342 HydrophobicContact CG2-CG1 4.31Å |
| 343 | C | 83.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 31% | 0.311 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 133.5 | -174.9 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | F347 C352 | C343-F347 HydrophobicContact CB-CB 4.28Å; C343-F347 WeakPolarHBondContact CB-O 3.39Å; C343-C352 WeakPolarHBondContact CA-SG 3.37Å; C343-C352 HydrophobicContact CB-CB 3.75Å; C343-C352 WeakPolarHBondContact CB-SG 3.4Å; C343-C352 PolarHBondContact N-SG 3.05Å; C343-C352 VanDerWaalsContact N-SG 3.39Å; C343-C352 VanDerWaalsContact SG-CA 3.53Å; C343-C352 WeakPolarHBondContact SG-CB 3.47Å; C343-C352 CovalentContact SG-SG 2.04Å; C343-C352 PolarHBondContact SG-SG 2.81Å |
| 344 | E | 79.8 | Confident | 80.3 | Confident | 111 Ų | 111 | 80.6 Ų | 80.6 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 158.5 | 164.5 | -84.2 | -78.3 | 167.6 | 0 | 0 | 110.2 | L346 F347 | E344-L346 PolarHBondContact O-N 2.99Å; E344-F347 HydrophobicContact CB-CD2 4.21Å; E344-F347 PolarHBondContact O-N 3.27Å |
| 345 | K | 75 | Confident | 80.3 | Confident | 147 Ų | 147 | 79.2 Ų | 79.2 | 64% | 0.639 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 139 | 179.5 | -56.3 | -179 | 178 | 178.4 | 0 | 109.4 | Y377 | K345-Y377 HydrophobicContact CB-CE1 3.51Å; K345-Y377 HydrophobicContact CD-CE1 4.04Å; K345-Y377 HydrophobicContact CD-CE2 4.33Å; K345-Y377 WeakPolarHBondContact CD-OH 3.36Å; K345-Y377 HydrophobicContact CG-CE1 4.36Å |
| 346 | L | 72.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -1.5 | -172.5 | -53.5 | 167.8 | 0 | 0 | 0 | 116.9 | E344 I356 L358 Y377 | E344-L346 PolarHBondContact O-N 2.99Å; L346-I356 PolarHBondContact O-N 3.31Å; L346-L358 HydrophobicContact CD2-CD1 4.27Å; L346-Y377 HydrophobicContact CD2-CD1 3.66Å; L346-Y377 HydrophobicContact CD2-CE1 3.89Å; L346-Y377 HydrophobicContact CG-CD1 4.15Å; L346-Y377 HydrophobicContact CG-CE1 3.85Å |
| 347 | F | 82.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 150.1 | 176.2 | -59.9 | -82.2 | 0 | 0 | 0 | 112.8 | N326 C343 E344 C352 Q354 E355 | N326-F347 HydrophobicContact CB-CD1 4.01Å; N326-F347 HydrophobicContact CB-CD2 4.22Å; N326-F347 HydrophobicContact CB-CE1 3.9Å; N326-F347 HydrophobicContact CB-CE2 4.11Å; N326-F347 HydrophobicContact CB-CG 4.17Å; N326-F347 HydrophobicContact CB-CZ 3.95Å; N326-F347 VanDerWaalsContact CG-CE1 3.47Å; N326-F347 WeakPolarHBondContact ND2-CD1 3.31Å; N326-F347 VanDerWaalsContact ND2-CE1 3.26Å; N326-F347 WeakPolarHBondContact ND2-CE1 3.29Å; C343-F347 HydrophobicContact CB-CB 4.28Å; C343-F347 WeakPolarHBondContact CB-O 3.39Å; E344-F347 HydrophobicContact CB-CD2 4.21Å; E344-F347 PolarHBondContact O-N 3.27Å; F347-C352 HydrophobicContact CB-CB 4.33Å; F347-Q354 CarbonylContact C-O 3.52Å; F347-Q354 WeakPolarHBondContact CA-O 3.07Å; F347-E355 HydrophobicContact CD1-CG 3.93Å; F347-E355 HydrophobicContact CE1-CG 3.57Å; F347-E355 HydrophobicContact CZ-CG 4.49Å |
| 348 | T | 79.9 | Confident | 80.9 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | -176 | 178.6 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | C352 D353 Q354 I356 | T348-C352 CarbonylContact O-C 3.55Å; T348-C352 VanDerWaalsContact O-CA 3.23Å; T348-C352 WeakPolarHBondContact O-CA 3.42Å; T348-D353 PolarHBondContact O-N 3.4Å; T348-Q354 HydrophobicContact CG2-CB 3.73Å; T348-Q354 PolarHBondContact N-O 2.9Å; T348-Q354 WeakPolarHBondContact O-CB 3.02Å; T348-Q354 PolarHBondContact O-N 3.44Å; T348-I356 HydrophobicContact CG2-CG1 4.04Å |
| 349 | G | 78.6 | Confident | 81.2 | Confident | 24 Ų | 24 | 72 Ų | 72 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 89.1 | 163.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H351 C352 | G349-H351 PolarHBondContact O-N 3.46Å; G349-C352 PolarHBondContact O-N 2.02Å |
| 350 | K | 84.7 | Confident | 81 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.6 | -176.9 | 178.1 | 174.3 | 167.2 | 175.5 | 0 | 112.7 | D337 Y339 C341 | D337-K350 VanDerWaalsContact CG-CE 3.41Å; D337-K350 IonicContact OD1-NZ 2.7Å; D337-K350 PolarHBondContact OD1-NZ 2.76Å; D337-K350 WeakPolarHBondContact OD2-CE 3.26Å; D337-K350 IonicContact OD2-NZ 3.61Å; D337-K350 PolarHBondContact OD2-NZ 2.77Å; Y339-K350 WeakPolarHBondContact OH-CE 3.23Å; C341-K350 PolarHBondContact SG-O 3.47Å; C341-K350 VanDerWaalsContact SG-O 3.4Å |
| 351 | H | 87.9 | Confident | 80.4 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 29% | 0.287 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 9.6 | -179.6 | -61 | -81.3 | 0 | 0 | 0 | 112.6 | P323 S325 Y339 G349 D353 | P323-H351 WeakPolarHBondContact O-CB 3.34Å; P323-H351 PolarHBondContact O-ND1 2.76Å; S325-H351 WeakPolarHBondContact CB-O 3.26Å; S325-H351 PolarHBondContact N-O 2.03Å; Y339-H351 AromaticContact CZ-CE1 3.84Å; Y339-H351 PolarHBondContact OH-CE1 2.91Å; Y339-H351 PolarHBondContact OH-ND1 2.86Å; G349-H351 PolarHBondContact O-N 3.46Å; H351-D353 HydrophobicContact CB-CB 4.26Å; H351-D353 PolarHBondContact O-N 3.21Å |
| 352 | C | 86.9 | Confident | 80 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 53.9 | 31.4 | -173 | -51 | 0 | 0 | 0 | 0 | 113.4 | N326 S328 C341 C343 F347 T348 G349 | N326-C352 PolarHBondContact ND2-O 3.35Å; S328-C352 VanDerWaalsContact OG-CB 3.31Å; S328-C352 WeakPolarHBondContact OG-CB 3.21Å; C341-C352 WeakPolarHBondContact CB-SG 3.44Å; C343-C352 WeakPolarHBondContact CA-SG 3.37Å; C343-C352 HydrophobicContact CB-CB 3.75Å; C343-C352 WeakPolarHBondContact CB-SG 3.4Å; C343-C352 PolarHBondContact N-SG 3.05Å; C343-C352 VanDerWaalsContact N-SG 3.39Å; C343-C352 VanDerWaalsContact SG-CA 3.53Å; C343-C352 WeakPolarHBondContact SG-CB 3.47Å; C343-C352 CovalentContact SG-SG 2.04Å; C343-C352 PolarHBondContact SG-SG 2.81Å; F347-C352 HydrophobicContact CB-CB 4.33Å; T348-C352 CarbonylContact O-C 3.55Å; T348-C352 VanDerWaalsContact O-CA 3.23Å; T348-C352 WeakPolarHBondContact O-CA 3.42Å; G349-C352 PolarHBondContact O-N 2.02Å |
| 353 | D | 85.8 | Confident | 79.9 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | trans | -93.3 | -11.4 | -176.9 | 58.3 | -41.2 | 0 | 0 | 0 | 112.9 | T348 H351 | T348-D353 PolarHBondContact O-N 3.4Å; H351-D353 HydrophobicContact CB-CB 4.26Å; H351-D353 PolarHBondContact O-N 3.21Å | ||
| 354 | Q | 79.9 | Confident | 80.2 | Confident | 110 Ų | 110 | 75.3 Ų | 75.3 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.3 | 179.7 | -58.1 | 178.6 | -15.6 | 0 | 0 | 109.4 | F347 T348 | F347-Q354 CarbonylContact C-O 3.52Å; F347-Q354 WeakPolarHBondContact CA-O 3.07Å; T348-Q354 HydrophobicContact CG2-CB 3.73Å; T348-Q354 PolarHBondContact N-O 2.9Å; T348-Q354 WeakPolarHBondContact O-CB 3.02Å; T348-Q354 PolarHBondContact O-N 3.44Å |
| 355 | E | 74.1 | Confident | 80.4 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 71% | 0.71 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 139.7 | 166.4 | -75.8 | -177.4 | 171.5 | 0 | 0 | 109.8 | F347 D357 | F347-E355 HydrophobicContact CD1-CG 3.93Å; F347-E355 HydrophobicContact CE1-CG 3.57Å; F347-E355 HydrophobicContact CZ-CG 4.49Å; E355-D357 PolarHBondContact O-N 3.29Å; E355-D357 VanDerWaalsContact O-N 3.09Å |
| 356 | I | 71.5 | Confident | 80.7 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | trans | -68.7 | 108.2 | 172.3 | -63.6 | 173.9 | 0 | 0 | 0 | 107.4 | L346 T348 L358 | L346-I356 PolarHBondContact O-N 3.31Å; T348-I356 HydrophobicContact CG2-CG1 4.04Å; I356-L358 HydrophobicContact CG2-CD2 4.21Å; I356-L358 PolarHBondContact O-N 3.48Å | ||
| 357 | D | 74 | Confident | 81.1 | Confident | 103 Ų | 103 | 72.3 Ų | 72.3 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | trans | -70.1 | 95.4 | 169.6 | -179.3 | 2.8 | 0 | 0 | 0 | 109.4 | E355 C359 A360 | E355-D357 PolarHBondContact O-N 3.29Å; E355-D357 VanDerWaalsContact O-N 3.09Å; D357-C359 PolarHBondContact O-N 2.73Å; D357-C359 WeakPolarHBondContact OD1-CA 3.48Å; D357-C359 WeakPolarHBondContact OD1-CB 3Å; D357-C359 PolarHBondContact OD1-N 3.47Å; D357-A360 HydrophobicContact CB-CB 3.89Å; D357-A360 WeakPolarHBondContact O-CB 3.26Å; D357-A360 PolarHBondContact O-N 2.8Å; D357-A360 PolarHBondContact OD1-N 3.17Å | ||
| 358 | L | 79.4 | Confident | 81.2 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -13.5 | 176.9 | -64.4 | 168.6 | 0 | 0 | 0 | 112.7 | L346 I356 P372 Y379 | L346-L358 HydrophobicContact CD2-CD1 4.27Å; I356-L358 HydrophobicContact CG2-CD2 4.21Å; I356-L358 PolarHBondContact O-N 3.48Å; L358-P372 HydrophobicContact CB-CB 4.04Å; L358-P372 HydrophobicContact CD1-CB 3.96Å; L358-Y379 VanDerWaalsContact O-CD1 3.3Å; L358-Y379 WeakPolarHBondContact O-CD1 3.03Å |
| 359 | C | 83.2 | Confident | 81.6 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 14% | 0.142 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -2.4 | 177.1 | -75.2 | 0 | 0 | 0 | 0 | 114 | D357 N361 H362 C370 | D357-C359 PolarHBondContact O-N 2.73Å; D357-C359 WeakPolarHBondContact OD1-CA 3.48Å; D357-C359 WeakPolarHBondContact OD1-CB 3Å; D357-C359 PolarHBondContact OD1-N 3.47Å; C359-N361 PolarHBondContact O-N 3.42Å; C359-N361 VanDerWaalsContact O-N 3.08Å; C359-H362 PolarHBondContact O-CD2 3.3Å; C359-H362 PolarHBondContact O-N 2.04Å; C359-C370 WeakPolarHBondContact CA-SG 3.02Å; C359-C370 HydrophobicContact CB-CB 3.75Å; C359-C370 WeakPolarHBondContact CB-SG 3.4Å; C359-C370 WeakPolarHBondContact SG-CB 3.4Å; C359-C370 CovalentContact SG-SG 2.04Å; C359-C370 PolarHBondContact SG-SG 3.01Å |
| 360 | A | 79.1 | Confident | 82.1 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D357 | D357-A360 HydrophobicContact CB-CB 3.89Å; D357-A360 WeakPolarHBondContact O-CB 3.26Å; D357-A360 PolarHBondContact O-N 2.8Å; D357-A360 PolarHBondContact OD1-N 3.17Å |
| 361 | N | 72.4 | Confident | 82.2 | Confident | 151 Ų | 151 | 69.5 Ų | 69.5 | 81% | 0.807 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.3 | 47.1 | 178.1 | -156.7 | 11.9 | 0 | 0 | 0 | 111.8 | C359 | C359-N361 PolarHBondContact O-N 3.42Å; C359-N361 VanDerWaalsContact O-N 3.08Å |
| 362 | H | 81.2 | Confident | 81.9 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 32% | 0.324 | 39% | 0.391 | S | S | . | . | trans | -71.1 | 148.1 | 179.3 | 68 | 65.4 | 0 | 0 | 0 | 112.1 | C359 C364 C370 Y379 | C359-H362 PolarHBondContact O-CD2 3.3Å; C359-H362 PolarHBondContact O-N 2.04Å; H362-C364 WeakPolarHBondContact ND1-CB 3.18Å; H362-C364 PolarHBondContact ND1-N 3.13Å; H362-C370 HydrophobicContact CB-CB 3.94Å; H362-C370 WeakPolarHBondContact CD2-CB 3.17Å; H362-Y379 HydrophobicContact CB-CD2 3.81Å; H362-Y379 HydrophobicContact CB-CE1 4.35Å; H362-Y379 HydrophobicContact CB-CE2 3.53Å; H362-Y379 HydrophobicContact CB-CG 4.36Å | ||
| 363 | S | 86.3 | Confident | 81.4 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 48% | 0.476 | 40% | 0.401 | S | S | . | . | trans | -96 | 19.8 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | A365 Y379 | S363-A365 PolarHBondContact O-N 3.43Å; S363-Y379 PolarHBondContact N-OH 2.8Å | ||
| 364 | C | 88.4 | Confident | 80.6 | Confident | 17 Ų | 17 | 71 Ų | 71 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | trans | -62.3 | 120.2 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | H362 A368 C381 | H362-C364 WeakPolarHBondContact ND1-CB 3.18Å; H362-C364 PolarHBondContact ND1-N 3.13Å; C364-A368 HydrophobicContact CB-CB 4.03Å; C364-C381 WeakPolarHBondContact CA-SG 3.31Å; C364-C381 HydrophobicContact CB-CB 3.71Å; C364-C381 WeakPolarHBondContact CB-SG 3.01Å; C364-C381 VanDerWaalsContact SG-CA 3.52Å; C364-C381 WeakPolarHBondContact SG-CB 3.37Å; C364-C381 CovalentContact SG-SG 2.03Å; C364-C381 PolarHBondContact SG-SG 3.02Å | ||
| 365 | A | 85.5 | Confident | 80.1 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | trans | -83.4 | 170.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S363 N367 A368 R391 E393 | S363-A365 PolarHBondContact O-N 3.43Å; A365-N367 VanDerWaalsContact C-N 3.34Å; A365-N367 PolarHBondContact O-N 3.26Å; A365-A368 VanDerWaalsContact O-CB 3.25Å; A365-A368 WeakPolarHBondContact O-CB 3.02Å; A365-A368 PolarHBondContact O-N 3.09Å; A365-R391 WeakPolarHBondContact CA-O 3.35Å; A365-R391 VanDerWaalsContact CB-O 3.28Å; A365-R391 WeakPolarHBondContact CB-O 3.26Å; A365-R391 PolarHBondContact N-O 2.7Å; A365-E393 HydrophobicContact CB-CB 4.44Å | ||
| 366 | N | 81.2 | Confident | 80 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 32% | 0.316 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 41.4 | 164.2 | -64 | -35.7 | 0 | 0 | 0 | 115.4 | A368 Y387 C392 | N366-A368 PolarHBondContact O-N 2.96Å; N366-A368 VanDerWaalsContact O-N 3.11Å; N366-Y387 HydrophobicContact CB-CD1 3.63Å; N366-Y387 HydrophobicContact CB-CD2 3.7Å; N366-Y387 HydrophobicContact CB-CE1 3.52Å; N366-Y387 HydrophobicContact CB-CE2 3.61Å; N366-Y387 HydrophobicContact CB-CG 3.67Å; N366-Y387 VanDerWaalsContact CB-CZ 3.45Å; N366-Y387 VanDerWaalsContact CG-CD1 3.44Å; N366-Y387 VanDerWaalsContact CG-CZ 3.45Å; N366-Y387 WeakPolarHBondContact ND2-CD1 3.47Å; N366-Y387 WeakPolarHBondContact ND2-CE1 3.28Å; N366-Y387 WeakPolarHBondContact OD1-CE1 3.39Å; N366-C392 WeakPolarHBondContact CB-O 3.21Å; N366-C392 PolarHBondContact ND2-O 3.02Å |
| 367 | N | 81 | Confident | 79.9 | Confident | 157 Ų | 157 | 75.3 Ų | 75.3 | 84% | 0.84 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 23.4 | -177.7 | -76.8 | -3 | 0 | 0 | 0 | 114.7 | A365 | A365-N367 VanDerWaalsContact C-N 3.34Å; A365-N367 PolarHBondContact O-N 3.26Å |
| 368 | A | 85.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 141.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C364 A365 N366 C381 L382 C392 | C364-A368 HydrophobicContact CB-CB 4.03Å; A365-A368 VanDerWaalsContact O-CB 3.25Å; A365-A368 WeakPolarHBondContact O-CB 3.02Å; A365-A368 PolarHBondContact O-N 3.09Å; N366-A368 PolarHBondContact O-N 2.96Å; N366-A368 VanDerWaalsContact O-N 3.11Å; A368-C381 HydrophobicContact CB-CB 4.27Å; A368-L382 CarbonylContact C-O 3.5Å; A368-L382 WeakPolarHBondContact CA-O 3.05Å; A368-L382 WeakPolarHBondContact CB-O 3.44Å; A368-C392 HydrophobicContact CB-CB 3.54Å; A368-C392 WeakPolarHBondContact CB-SG 3.46Å |
| 369 | T | 88.1 | Confident | 80.1 | Confident | 91 Ų | 91 | 75 Ų | 75 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121.8 | -178 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | L382 | T369-L382 PolarHBondContact N-O 3.46Å; T369-L382 WeakPolarHBondContact O-CB 3.42Å; T369-L382 PolarHBondContact O-N 3.28Å |
| 370 | C | 88.3 | Confident | 80.3 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 12% | 0.122 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.7 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 111 | C359 H362 Y379 | C359-C370 WeakPolarHBondContact CA-SG 3.02Å; C359-C370 HydrophobicContact CB-CB 3.75Å; C359-C370 WeakPolarHBondContact CB-SG 3.4Å; C359-C370 WeakPolarHBondContact SG-CB 3.4Å; C359-C370 CovalentContact SG-SG 2.04Å; C359-C370 PolarHBondContact SG-SG 3.01Å; H362-C370 HydrophobicContact CB-CB 3.94Å; H362-C370 WeakPolarHBondContact CD2-CB 3.17Å; C370-Y379 VanDerWaalsContact SG-CB 3.53Å |
| 371 | Q | 86.4 | Confident | 80.7 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.2 | 174 | -173.8 | -179.3 | -10.2 | 0 | 0 | 109.7 | Y379 R380 L382 | Q371-Y379 CarbonylContact O-C 3.54Å; Q371-Y379 WeakPolarHBondContact O-CA 3.24Å; Q371-R380 HydrophobicContact CB-CG 3.97Å; Q371-R380 PolarHBondContact N-O 2.81Å; Q371-R380 PolarHBondContact O-N 2.99Å; Q371-R380 VanDerWaalsContact OE1-NE 3.13Å; Q371-L382 HydrophobicContact CB-CD1 4.25Å; Q371-L382 HydrophobicContact CB-CG 4.3Å |
| 372 | P | 81.2 | Confident | 81.5 | Confident | 67 Ų | 67 | 74.5 Ų | 74.5 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 147.3 | 177.5 | 25.8 | -32.3 | 0 | 0 | 0 | 112 | L358 | L358-P372 HydrophobicContact CB-CB 4.04Å; L358-P372 HydrophobicContact CD1-CB 3.96Å |
| 373 | S | 77.1 | Confident | 81.7 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 86.6 | 175.8 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | K375 D376 Y377 S378 | S373-K375 VanDerWaalsContact C-N 3.29Å; S373-K375 PolarHBondContact O-N 2.89Å; S373-D376 PolarHBondContact O-N 2.7Å; S373-Y377 PolarHBondContact O-N 2.66Å; S373-S378 WeakPolarHBondContact CA-O 2.98Å; S373-S378 PolarHBondContact N-O 3Å; S373-S378 PolarHBondContact O-N 3.24Å |
| 374 | P | 69.7 | Low | 81.4 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25 | -170.9 | -23.8 | 33.4 | 0 | 0 | 0 | 115.4 | D376 | P374-D376 VanDerWaalsContact C-N 3.35Å; P374-D376 PolarHBondContact O-N 2.98Å |
| 375 | K | 68.7 | Low | 81 | Confident | 191 Ų | 191 | 76.3 Ų | 76.3 | 83% | 0.83 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -35.7 | -177.9 | -73.9 | -174.2 | 176.9 | -178.3 | 0 | 113.1 | S373 | S373-K375 VanDerWaalsContact C-N 3.29Å; S373-K375 PolarHBondContact O-N 2.89Å |
| 376 | D | 72.5 | Confident | 80.6 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 66% | 0.658 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 7.1 | -173.3 | -52.5 | -37.7 | 0 | 0 | 0 | 112.4 | S373 P374 S378 | S373-D376 PolarHBondContact O-N 2.7Å; P374-D376 VanDerWaalsContact C-N 3.35Å; P374-D376 PolarHBondContact O-N 2.98Å; D376-S378 VanDerWaalsContact C-N 3.34Å; D376-S378 PolarHBondContact O-N 3.1Å |
| 377 | Y | 69.5 | Low | 80.6 | Confident | 117 Ų | 117 | 77.6 Ų | 77.6 | 46% | 0.459 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 41 | -177.5 | -54.1 | -89.8 | 0 | 0 | 0 | 113.3 | K345 L346 S373 | K345-Y377 HydrophobicContact CB-CE1 3.51Å; K345-Y377 HydrophobicContact CD-CE1 4.04Å; K345-Y377 HydrophobicContact CD-CE2 4.33Å; K345-Y377 WeakPolarHBondContact CD-OH 3.36Å; K345-Y377 HydrophobicContact CG-CE1 4.36Å; L346-Y377 HydrophobicContact CD2-CD1 3.66Å; L346-Y377 HydrophobicContact CD2-CE1 3.89Å; L346-Y377 HydrophobicContact CG-CD1 4.15Å; L346-Y377 HydrophobicContact CG-CE1 3.85Å; S373-Y377 PolarHBondContact O-N 2.66Å |
| 378 | S | 73.7 | Confident | 80.5 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -175.2 | -177.3 | 80.1 | 0 | 0 | 0 | 0 | 113.4 | S373 D376 | S373-S378 WeakPolarHBondContact CA-O 2.98Å; S373-S378 PolarHBondContact N-O 3Å; S373-S378 PolarHBondContact O-N 3.24Å; D376-S378 VanDerWaalsContact C-N 3.34Å; D376-S378 PolarHBondContact O-N 3.1Å |
| 379 | Y | 83.7 | Confident | 80.2 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161.9 | 171.8 | 68.7 | -91.2 | 0 | 0 | 0 | 111.5 | L358 H362 S363 C370 Q371 | L358-Y379 VanDerWaalsContact O-CD1 3.3Å; L358-Y379 WeakPolarHBondContact O-CD1 3.03Å; H362-Y379 HydrophobicContact CB-CD2 3.81Å; H362-Y379 HydrophobicContact CB-CE1 4.35Å; H362-Y379 HydrophobicContact CB-CE2 3.53Å; H362-Y379 HydrophobicContact CB-CG 4.36Å; S363-Y379 PolarHBondContact N-OH 2.8Å; C370-Y379 VanDerWaalsContact SG-CB 3.53Å; Q371-Y379 CarbonylContact O-C 3.54Å; Q371-Y379 WeakPolarHBondContact O-CA 3.24Å |
| 380 | R | 87.1 | Confident | 79.9 | Confident | 135 Ų | 135 | 76.6 Ų | 76.6 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.6 | 173.2 | 69.7 | -178 | -174.3 | -156.2 | 7.3 | 111.5 | Q371 | Q371-R380 HydrophobicContact CB-CG 3.97Å; Q371-R380 PolarHBondContact N-O 2.81Å; Q371-R380 PolarHBondContact O-N 2.99Å; Q371-R380 VanDerWaalsContact OE1-NE 3.13Å |
| 381 | C | 88.3 | Confident | 79.8 | Confident | 22 Ų | 22 | 82 Ų | 82 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.9 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | C364 A368 | C364-C381 WeakPolarHBondContact CA-SG 3.31Å; C364-C381 HydrophobicContact CB-CB 3.71Å; C364-C381 WeakPolarHBondContact CB-SG 3.01Å; C364-C381 VanDerWaalsContact SG-CA 3.52Å; C364-C381 WeakPolarHBondContact SG-CB 3.37Å; C364-C381 CovalentContact SG-SG 2.03Å; C364-C381 PolarHBondContact SG-SG 3.02Å; A368-C381 HydrophobicContact CB-CB 4.27Å |
| 382 | L | 88.6 | Confident | 79.7 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 41% | 0.414 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.8 | 171.6 | -57.5 | 177.4 | 0 | 0 | 0 | 108.7 | A368 T369 Q371 | A368-L382 CarbonylContact C-O 3.5Å; A368-L382 WeakPolarHBondContact CA-O 3.05Å; A368-L382 WeakPolarHBondContact CB-O 3.44Å; T369-L382 PolarHBondContact N-O 3.46Å; T369-L382 WeakPolarHBondContact O-CB 3.42Å; T369-L382 PolarHBondContact O-N 3.28Å; Q371-L382 HydrophobicContact CB-CD1 4.25Å; Q371-L382 HydrophobicContact CB-CG 4.3Å |
| 383 | C | 84.2 | Confident | 79.8 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 34% | 0.338 | 42% | 0.418 | S | S | . | . | trans | -73 | 144.3 | -177 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | Y387 C392 | C383-Y387 VanDerWaalsContact CB-O 3.27Å; C383-Y387 WeakPolarHBondContact CB-O 3.3Å; C383-C392 WeakPolarHBondContact CA-SG 3.01Å; C383-C392 HydrophobicContact CB-CB 3.66Å; C383-C392 WeakPolarHBondContact CB-SG 3.46Å; C383-C392 PolarHBondContact N-SG 2.04Å; C383-C392 VanDerWaalsContact N-SG 3.35Å; C383-C392 WeakPolarHBondContact SG-CA 3.46Å; C383-C392 WeakPolarHBondContact SG-CB 3.5Å; C383-C392 CovalentContact SG-SG 2.03Å; C383-C392 PolarHBondContact SG-SG 3.43Å | ||
| 384 | T | 82 | Confident | 79.7 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 31% | 0.307 | 43% | 0.433 | S | S | . | . | trans | -70.7 | 167.1 | 168.7 | 71.9 | 0 | 0 | 0 | 0 | 110 | E386 Y387 | T384-E386 WeakPolarHBondContact CB-OE2 3.44Å; T384-E386 PolarHBondContact O-N 3.44Å; T384-E386 PolarHBondContact OG1-OE2 3.16Å; T384-Y387 PolarHBondContact O-N 3.02Å; T384-Y387 VanDerWaalsContact O-N 3.1Å; T384-Y387 WeakPolarHBondContact OG1-CD2 3.35Å | ||
| 385 | A | 80 | Confident | 79.8 | Confident | 93 Ų | 93 | 84.6 Ų | 84.6 | 77% | 0.769 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -19.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 386 | E | 75.5 | Confident | 79.8 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.4 | -176.1 | -55.7 | 78.2 | -165.5 | 0 | 0 | 114.8 | T384 V396 F417 | T384-E386 WeakPolarHBondContact CB-OE2 3.44Å; T384-E386 PolarHBondContact O-N 3.44Å; T384-E386 PolarHBondContact OG1-OE2 3.16Å; E386-V396 PolarHBondContact O-N 2.9Å; E386-F417 HydrophobicContact CB-CD1 3.32Å; E386-F417 HydrophobicContact CB-CE1 3.54Å; E386-F417 HydrophobicContact CB-CG 3.99Å; E386-F417 HydrophobicContact CB-CZ 4.4Å; E386-F417 HydrophobicContact CG-CB 4.11Å; E386-F417 HydrophobicContact CG-CD1 3.58Å; E386-F417 HydrophobicContact CG-CE1 4.28Å; E386-F417 HydrophobicContact CG-CG 3.8Å |
| 387 | Y | 82.6 | Confident | 79.5 | Confident | 38 Ų | 38 | 77.5 Ų | 77.5 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.4 | -174.4 | -60.3 | -86.7 | 0 | 0 | 0 | 113.9 | N366 C383 T384 L394 E395 F417 | N366-Y387 HydrophobicContact CB-CD1 3.63Å; N366-Y387 HydrophobicContact CB-CD2 3.7Å; N366-Y387 HydrophobicContact CB-CE1 3.52Å; N366-Y387 HydrophobicContact CB-CE2 3.61Å; N366-Y387 HydrophobicContact CB-CG 3.67Å; N366-Y387 VanDerWaalsContact CB-CZ 3.45Å; N366-Y387 VanDerWaalsContact CG-CD1 3.44Å; N366-Y387 VanDerWaalsContact CG-CZ 3.45Å; N366-Y387 WeakPolarHBondContact ND2-CD1 3.47Å; N366-Y387 WeakPolarHBondContact ND2-CE1 3.28Å; N366-Y387 WeakPolarHBondContact OD1-CE1 3.39Å; C383-Y387 VanDerWaalsContact CB-O 3.27Å; C383-Y387 WeakPolarHBondContact CB-O 3.3Å; T384-Y387 PolarHBondContact O-N 3.02Å; T384-Y387 VanDerWaalsContact O-N 3.1Å; T384-Y387 WeakPolarHBondContact OG1-CD2 3.35Å; Y387-L394 CarbonylContact C-O 3.47Å; Y387-L394 WeakPolarHBondContact CA-O 3.29Å; Y387-E395 HydrophobicContact CD1-CG 3.91Å; Y387-E395 HydrophobicContact CE1-CG 3.67Å; Y387-F417 HydrophobicContact CD1-CZ 4.39Å; Y387-F417 HydrophobicContact CD2-CZ 4.45Å; Y387-F417 AromaticContact CE1-CE1 3.99Å; Y387-F417 HydrophobicContact CE1-CE1 3.99Å; Y387-F417 HydrophobicContact CE1-CE2 4.43Å; Y387-F417 AromaticContact CE1-CZ 3.46Å; Y387-F417 HydrophobicContact CE1-CZ 3.46Å; Y387-F417 VanDerWaalsContact CE1-CZ 3.46Å; Y387-F417 HydrophobicContact CE2-CE1 4.02Å; Y387-F417 AromaticContact CE2-CE2 3.95Å; Y387-F417 HydrophobicContact CE2-CE2 3.95Å; Y387-F417 AromaticContact CE2-CZ 3.53Å; Y387-F417 HydrophobicContact CE2-CZ 3.53Å; Y387-F417 AromaticContact CZ-CE1 3.77Å; Y387-F417 AromaticContact CZ-CE2 3.58Å; Y387-F417 AromaticContact CZ-CZ 2.99Å; Y387-F417 WeakPolarHBondContact OH-CE2 3.02Å; Y387-F417 WeakPolarHBondContact OH-CZ 3.26Å |
| 388 | T | 78.3 | Confident | 79.3 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 174.9 | 178.7 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | C392 E393 L394 | T388-C392 CarbonylContact O-C 3.49Å; T388-C392 VanDerWaalsContact O-CA 3.28Å; T388-C392 WeakPolarHBondContact O-CA 3.38Å; T388-E393 PolarHBondContact O-N 3.07Å; T388-E393 VanDerWaalsContact O-N 3.11Å; T388-L394 HydrophobicContact CG2-CB 3.64Å; T388-L394 HydrophobicContact CG2-CD1 4.22Å; T388-L394 PolarHBondContact N-O 2.82Å; T388-L394 WeakPolarHBondContact O-CB 3.49Å; T388-L394 PolarHBondContact O-N 3.27Å |
| 389 | G | 78.4 | Confident | 79.4 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 103.2 | 165.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R391 C392 E393 | G389-R391 VanDerWaalsContact C-N 3.27Å; G389-R391 PolarHBondContact O-N 2.85Å; G389-C392 PolarHBondContact O-N 3.04Å; G389-C392 VanDerWaalsContact O-N 3.11Å; G389-E393 WeakPolarHBondContact CA-OE2 3.39Å |
| 390 | V | 82.8 | Confident | 78.9 | Confident | 130 Ų | 130 | 79.6 Ų | 79.6 | 79% | 0.788 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.7 | -177.1 | -97.7 | 0 | 0 | 0 | 0 | 113.3 | E393 | V390-E393 PolarHBondContact N-OE2 3.04Š|
| 391 | R | 85 | Confident | 78 | Confident | 133 Ų | 133 | 79.8 Ų | 79.8 | 50% | 0.502 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 14.6 | 172.3 | -66 | -178.7 | -67.1 | -179.3 | 0.7 | 111.2 | A365 G389 E393 | A365-R391 WeakPolarHBondContact CA-O 3.35Å; A365-R391 VanDerWaalsContact CB-O 3.28Å; A365-R391 WeakPolarHBondContact CB-O 3.26Å; A365-R391 PolarHBondContact N-O 2.7Å; G389-R391 VanDerWaalsContact C-N 3.27Å; G389-R391 PolarHBondContact O-N 2.85Å; R391-E393 VanDerWaalsContact C-N 3.28Å; R391-E393 VanDerWaalsContact C-OE2 3.25Å; R391-E393 WeakPolarHBondContact CA-OE2 3.35Å; R391-E393 PolarHBondContact N-OE2 2.93Å; R391-E393 PolarHBondContact O-N 2.79Å |
| 392 | C | 85.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 59.4 | 34.6 | -176.1 | -49.5 | 0 | 0 | 0 | 0 | 114 | N366 A368 C383 T388 G389 | N366-C392 WeakPolarHBondContact CB-O 3.21Å; N366-C392 PolarHBondContact ND2-O 3.02Å; A368-C392 HydrophobicContact CB-CB 3.54Å; A368-C392 WeakPolarHBondContact CB-SG 3.46Å; C383-C392 WeakPolarHBondContact CA-SG 3.01Å; C383-C392 HydrophobicContact CB-CB 3.66Å; C383-C392 WeakPolarHBondContact CB-SG 3.46Å; C383-C392 PolarHBondContact N-SG 2.04Å; C383-C392 VanDerWaalsContact N-SG 3.35Å; C383-C392 WeakPolarHBondContact SG-CA 3.46Å; C383-C392 WeakPolarHBondContact SG-CB 3.5Å; C383-C392 CovalentContact SG-SG 2.03Å; C383-C392 PolarHBondContact SG-SG 3.43Å; T388-C392 CarbonylContact O-C 3.49Å; T388-C392 VanDerWaalsContact O-CA 3.28Å; T388-C392 WeakPolarHBondContact O-CA 3.38Å; G389-C392 PolarHBondContact O-N 3.04Å; G389-C392 VanDerWaalsContact O-N 3.11Å |
| 393 | E | 83.5 | Confident | 76.8 | Confident | 76 Ų | 76 | 84.3 Ų | 84.3 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | trans | -84.6 | -11.7 | -172.5 | 65.6 | -91.2 | -128.9 | 0 | 0 | 115.4 | A365 T388 G389 V390 R391 | A365-E393 HydrophobicContact CB-CB 4.44Å; T388-E393 PolarHBondContact O-N 3.07Å; T388-E393 VanDerWaalsContact O-N 3.11Å; G389-E393 WeakPolarHBondContact CA-OE2 3.39Å; V390-E393 PolarHBondContact N-OE2 3.04Å; R391-E393 VanDerWaalsContact C-N 3.28Å; R391-E393 VanDerWaalsContact C-OE2 3.25Å; R391-E393 WeakPolarHBondContact CA-OE2 3.35Å; R391-E393 PolarHBondContact N-OE2 2.93Å; R391-E393 PolarHBondContact O-N 2.79Å | ||
| 394 | L | 75.2 | Confident | 76.8 | Confident | 103 Ų | 103 | 82.8 Ų | 82.8 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.4 | -174.9 | -58.9 | 173 | 0 | 0 | 0 | 111.2 | Y387 T388 | Y387-L394 CarbonylContact C-O 3.47Å; Y387-L394 WeakPolarHBondContact CA-O 3.29Å; T388-L394 HydrophobicContact CG2-CB 3.64Å; T388-L394 HydrophobicContact CG2-CD1 4.22Å; T388-L394 PolarHBondContact N-O 2.82Å; T388-L394 WeakPolarHBondContact O-CB 3.49Å; T388-L394 PolarHBondContact O-N 3.27Å |
| 395 | E | 70.1 | Confident | 76.9 | Confident | 120 Ų | 120 | 85.4 Ų | 85.4 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 143.3 | 175.1 | -67.9 | 179.3 | 173.4 | 0 | 0 | 112.2 | Y387 F417 | Y387-E395 HydrophobicContact CD1-CG 3.91Å; Y387-E395 HydrophobicContact CE1-CG 3.67Å; E395-F417 HydrophobicContact CG-CE1 4.1Å; E395-F417 HydrophobicContact CG-CZ 4.23Å |
| 396 | V | 69.6 | Low | 76.8 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 39% | 0.394 | 43% | 0.431 | S | S | . | . | trans | -87.2 | 128.8 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | E386 P398 | E386-V396 PolarHBondContact O-N 2.9Å; V396-P398 VanDerWaalsContact O-CD 3.31Å; V396-P398 WeakPolarHBondContact O-CD 3.42Å | ||
| 397 | D | 66.5 | Low | 77.1 | Confident | 100 Ų | 100 | 87.6 Ų | 87.6 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | trans | -63.9 | 114.4 | 179.9 | 179.3 | -4.2 | 0 | 0 | 0 | 112.7 | C399 R400 | D397-C399 PolarHBondContact O-N 2.92Å; D397-C399 PolarHBondContact OD1-N 3.18Å; D397-R400 WeakPolarHBondContact O-CB 3.41Å; D397-R400 PolarHBondContact O-N 2.96Å | ||
| 398 | P | 65.3 | Low | 77 | Confident | 48 Ų | 48 | 86.2 Ų | 86.2 | 31% | 0.312 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -73.8 | -15.8 | -175.8 | 28.8 | -33.4 | 0 | 0 | 0 | 114.8 | V396 A412 | V396-P398 VanDerWaalsContact O-CD 3.31Å; V396-P398 WeakPolarHBondContact O-CD 3.42Å; P398-A412 HydrophobicContact CG-CB 4Å |
| 399 | C | 74.7 | Confident | 77.3 | Confident | 34 Ų | 34 | 86.7 Ų | 86.7 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -89.9 | 3 | 177.4 | -76.7 | 0 | 0 | 0 | 0 | 113.4 | D397 N401 C410 | D397-C399 PolarHBondContact O-N 2.92Å; D397-C399 PolarHBondContact OD1-N 3.18Å; C399-N401 PolarHBondContact O-N 2.89Å; C399-C410 HydrophobicContact CB-CB 4.19Å; C399-C410 WeakPolarHBondContact CB-SG 3.22Å; C399-C410 WeakPolarHBondContact SG-CB 3.32Å; C399-C410 CovalentContact SG-SG 2.08Å; C399-C410 PolarHBondContact SG-SG 2.85Å |
| 400 | R | 74.6 | Confident | 77.6 | Confident | 211 Ų | 211 | 86.4 Ų | 86.4 | 80% | 0.796 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -62.4 | -25 | 178 | -165.5 | 175.5 | -179.1 | -176.8 | 1 | 113.6 | D397 | D397-R400 WeakPolarHBondContact O-CB 3.41Å; D397-R400 PolarHBondContact O-N 2.96Å |
| 401 | N | 68 | Low | 77.5 | Confident | 139 Ų | 139 | 84.5 Ų | 84.5 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -122.3 | 76.8 | 172.1 | -84.9 | -15.4 | 0 | 0 | 0 | 110.5 | C399 L403 | C399-N401 PolarHBondContact O-N 2.89Å; N401-L403 PolarHBondContact O-N 3Å |
| 402 | N | 68.9 | Low | 76.8 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | trans | -61.8 | 112.9 | -175.4 | -175.6 | 6.9 | 0 | 0 | 0 | 113.3 | C404 | N402-C404 WeakPolarHBondContact OD1-CB 3.33Å; N402-C404 PolarHBondContact OD1-N 2.92Å; N402-C404 VanDerWaalsContact OD1-N 3.08Å | ||
| 403 | L | 82 | Confident | 75.9 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 52% | 0.524 | 44% | 0.441 | S | S | . | . | trans | -100.4 | -0.5 | 179.6 | -74.8 | 166.9 | 0 | 0 | 0 | 114.3 | N401 Q405 Y419 Y431 | N401-L403 PolarHBondContact O-N 3Å; L403-Q405 PolarHBondContact O-N 3Å; L403-Y419 HydrophobicContact CB-CE2 4.28Å; L403-Y419 VanDerWaalsContact CB-OH 3.26Å; L403-Y419 WeakPolarHBondContact CB-OH 3.17Å; L403-Y419 WeakPolarHBondContact CD1-OH 3.01Å; L403-Y431 HydrophobicContact CB-CD1 4.32Å; L403-Y431 HydrophobicContact CB-CE1 4.43Å | ||
| 404 | C | 84.7 | Confident | 74.8 | Confident | 18 Ų | 18 | 87.9 Ų | 87.9 | 12% | 0.122 | 46% | 0.461 | C | S | . | . | trans | -68.7 | 125.3 | -179.2 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | N402 A408 C421 | N402-C404 WeakPolarHBondContact OD1-CB 3.33Å; N402-C404 PolarHBondContact OD1-N 2.92Å; N402-C404 VanDerWaalsContact OD1-N 3.08Å; C404-A408 HydrophobicContact CB-CB 3.97Å; C404-C421 WeakPolarHBondContact CA-SG 2.99Å; C404-C421 HydrophobicContact CB-CB 3.7Å; C404-C421 WeakPolarHBondContact CB-SG 3.44Å; C404-C421 WeakPolarHBondContact SG-CA 3.22Å; C404-C421 WeakPolarHBondContact SG-CB 3.41Å; C404-C421 CovalentContact SG-SG 2.03Å; C404-C421 PolarHBondContact SG-SG 3.25Å | ||
| 405 | Q | 82.9 | Confident | 73.8 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | trans | -93.6 | 175.2 | 179.7 | -53.3 | -175.5 | 4.7 | 0 | 0 | 111.8 | L403 N407 A408 Y431 | L403-Q405 PolarHBondContact O-N 3Å; Q405-N407 VanDerWaalsContact C-N 3.31Å; Q405-N407 PolarHBondContact O-N 3.01Å; Q405-A408 VanDerWaalsContact O-CB 3.22Å; Q405-A408 WeakPolarHBondContact O-CB 3.13Å; Q405-A408 PolarHBondContact O-N 2.95Å; Q405-Y431 WeakPolarHBondContact CA-O 3.45Å; Q405-Y431 WeakPolarHBondContact CB-O 3.38Å; Q405-Y431 PolarHBondContact N-O 3.41Å | ||
| 406 | N | 79.3 | Confident | 73.1 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 37% | 0.369 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.4 | 174.3 | -64.7 | -48 | 0 | 0 | 0 | 114.8 | A408 L424 F427 C432 | N406-A408 PolarHBondContact O-N 2.73Å; N406-L424 WeakPolarHBondContact O-CD1 3.2Å; N406-F427 HydrophobicContact CB-CD1 4.1Å; N406-F427 HydrophobicContact CB-CD2 4.35Å; N406-F427 HydrophobicContact CB-CE1 4.14Å; N406-F427 HydrophobicContact CB-CE2 4.39Å; N406-F427 HydrophobicContact CB-CG 4.2Å; N406-F427 HydrophobicContact CB-CZ 4.28Å; N406-F427 WeakPolarHBondContact ND2-CD1 3.48Å; N406-C432 PolarHBondContact ND2-O 3.24Å |
| 407 | N | 80.4 | Confident | 72.6 | Confident | 150 Ų | 150 | 87.2 Ų | 87.2 | 80% | 0.802 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 31.2 | -178.3 | -78.3 | -1.2 | 0 | 0 | 0 | 114.1 | Q405 L424 | Q405-N407 VanDerWaalsContact C-N 3.31Å; Q405-N407 PolarHBondContact O-N 3.01Å; N407-L424 HydrophobicContact CB-CD1 4.36Å |
| 408 | A | 81.1 | Confident | 72.5 | Confident | 9 Ų | 9 | 83.3 Ų | 83.3 | 7% | 0.074 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 147.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C404 Q405 N406 C421 S422 C432 | C404-A408 HydrophobicContact CB-CB 3.97Å; Q405-A408 VanDerWaalsContact O-CB 3.22Å; Q405-A408 WeakPolarHBondContact O-CB 3.13Å; Q405-A408 PolarHBondContact O-N 2.95Å; N406-A408 PolarHBondContact O-N 2.73Å; A408-C421 HydrophobicContact CB-CB 4.14Å; A408-S422 VanDerWaalsContact CA-O 3.25Å; A408-S422 WeakPolarHBondContact CA-O 3.13Å; A408-S422 VanDerWaalsContact CB-O 3.24Å; A408-S422 WeakPolarHBondContact CB-O 3.33Å; A408-C432 HydrophobicContact CB-CB 3.89Å; A408-C432 WeakPolarHBondContact CB-SG 3.07Å |
| 409 | T | 85 | Confident | 72.8 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.8 | -179 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | L411 C421 S422 | T409-L411 HydrophobicContact CG2-CD2 4.12Å; T409-L411 HydrophobicContact CG2-CG 4.43Å; T409-C421 WeakPolarHBondContact O-CA 3.03Å; T409-S422 PolarHBondContact N-O 3.01Å; T409-S422 PolarHBondContact O-N 3.47Å |
| 410 | C | 84.3 | Confident | 73 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 16% | 0.162 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.3 | 171.3 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | C399 Y419 | C399-C410 HydrophobicContact CB-CB 4.19Å; C399-C410 WeakPolarHBondContact CB-SG 3.22Å; C399-C410 WeakPolarHBondContact SG-CB 3.32Å; C399-C410 CovalentContact SG-SG 2.08Å; C399-C410 PolarHBondContact SG-SG 2.85Å; C410-Y419 VanDerWaalsContact SG-CB 3.57Å |
| 411 | L | 81 | Confident | 73.5 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.3 | 175.9 | -62.1 | 172.4 | 0 | 0 | 0 | 108.2 | T409 N413 Y419 N420 | T409-L411 HydrophobicContact CG2-CD2 4.12Å; T409-L411 HydrophobicContact CG2-CG 4.43Å; L411-N413 PolarHBondContact O-N 2.77Å; L411-Y419 CarbonylContact O-C 3.59Å; L411-Y419 VanDerWaalsContact O-CA 3.25Å; L411-Y419 WeakPolarHBondContact O-CA 3.18Å; L411-N420 PolarHBondContact N-O 2.76Å; L411-N420 PolarHBondContact O-N 3.05Å |
| 412 | A | 70.1 | Confident | 74.3 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 130.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P398 Q414 | P398-A412 HydrophobicContact CG-CB 4Å; A412-Q414 PolarHBondContact O-N 3.25Å |
| 413 | N | 67 | Low | 74.8 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | trans | -72 | 126.9 | 177.3 | -69.7 | -27.8 | 0 | 0 | 0 | 108.8 | L411 G416 G418 N420 | L411-N413 PolarHBondContact O-N 2.77Å; N413-G416 PolarHBondContact O-N 2.68Å; N413-G416 VanDerWaalsContact O-O 3.11Å; N413-G418 PolarHBondContact N-O 2.96Å; N413-N420 WeakPolarHBondContact OD1-CB 3.03Å | ||
| 414 | Q | 60.6 | Low | 74.5 | Confident | 166 Ų | 166 | 70 Ų | 70 | 78% | 0.776 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 118.6 | 177.4 | -74.4 | -87.7 | -54.6 | 0 | 0 | 108.9 | A412 | A412-Q414 PolarHBondContact O-N 3.25Š|
| 415 | P | 54.1 | Low | 74.1 | Confident | 133 Ų | 133 | 75.2 Ų | 75.2 | 86% | 0.864 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.7 | 138.6 | -5.9 | 33.2 | -25.2 | 0 | 0 | 0 | 111.7 | ||
| 416 | G | 55.3 | Low | 73.4 | Confident | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 150.1 | 163.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N413 G418 | N413-G416 PolarHBondContact O-N 2.68Å; N413-G416 VanDerWaalsContact O-O 3.11Å; G416-G418 PolarHBondContact O-N 2.94Å; G416-G418 VanDerWaalsContact O-N 3.13Å |
| 417 | F | 57.9 | Low | 73.3 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -77.8 | 92.8 | 176.7 | -60.8 | -67.6 | 0 | 0 | 0 | 110.8 | E386 Y387 E395 | E386-F417 HydrophobicContact CB-CD1 3.32Å; E386-F417 HydrophobicContact CB-CE1 3.54Å; E386-F417 HydrophobicContact CB-CG 3.99Å; E386-F417 HydrophobicContact CB-CZ 4.4Å; E386-F417 HydrophobicContact CG-CB 4.11Å; E386-F417 HydrophobicContact CG-CD1 3.58Å; E386-F417 HydrophobicContact CG-CE1 4.28Å; E386-F417 HydrophobicContact CG-CG 3.8Å; Y387-F417 HydrophobicContact CD1-CZ 4.39Å; Y387-F417 HydrophobicContact CD2-CZ 4.45Å; Y387-F417 AromaticContact CE1-CE1 3.99Å; Y387-F417 HydrophobicContact CE1-CE1 3.99Å; Y387-F417 HydrophobicContact CE1-CE2 4.43Å; Y387-F417 AromaticContact CE1-CZ 3.46Å; Y387-F417 HydrophobicContact CE1-CZ 3.46Å; Y387-F417 VanDerWaalsContact CE1-CZ 3.46Å; Y387-F417 HydrophobicContact CE2-CE1 4.02Å; Y387-F417 AromaticContact CE2-CE2 3.95Å; Y387-F417 HydrophobicContact CE2-CE2 3.95Å; Y387-F417 AromaticContact CE2-CZ 3.53Å; Y387-F417 HydrophobicContact CE2-CZ 3.53Å; Y387-F417 AromaticContact CZ-CE1 3.77Å; Y387-F417 AromaticContact CZ-CE2 3.58Å; Y387-F417 AromaticContact CZ-CZ 2.99Å; Y387-F417 WeakPolarHBondContact OH-CE2 3.02Å; Y387-F417 WeakPolarHBondContact OH-CZ 3.26Å; E395-F417 HydrophobicContact CG-CE1 4.1Å; E395-F417 HydrophobicContact CG-CZ 4.23Å |
| 418 | G | 64.5 | Low | 73.1 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 19% | 0.186 | 41% | 0.412 | C | S | . | . | trans | 170 | 167.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | N413 G416 | N413-G418 PolarHBondContact N-O 2.96Å; G416-G418 PolarHBondContact O-N 2.94Å; G416-G418 VanDerWaalsContact O-N 3.13Å | ||
| 419 | Y | 72.6 | Confident | 72.8 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 22% | 0.216 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.2 | 167.7 | 64.7 | -81 | 0 | 0 | 0 | 109.2 | L403 C410 L411 Y431 | L403-Y419 HydrophobicContact CB-CE2 4.28Å; L403-Y419 VanDerWaalsContact CB-OH 3.26Å; L403-Y419 WeakPolarHBondContact CB-OH 3.17Å; L403-Y419 WeakPolarHBondContact CD1-OH 3.01Å; C410-Y419 VanDerWaalsContact SG-CB 3.57Å; L411-Y419 CarbonylContact O-C 3.59Å; L411-Y419 VanDerWaalsContact O-CA 3.25Å; L411-Y419 WeakPolarHBondContact O-CA 3.18Å; Y419-Y431 HydrophobicContact CE2-CD1 4.38Å; Y419-Y431 HydrophobicContact CE2-CE1 4.26Å; Y419-Y431 AromaticContact CZ-CE1 3.98Å; Y419-Y431 WeakPolarHBondContact OH-CE1 3.24Å |
| 420 | N | 79.7 | Confident | 72.7 | Confident | 91 Ų | 91 | 78.5 Ų | 78.5 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.7 | 172.8 | -169.8 | 12.2 | 0 | 0 | 0 | 109.5 | L411 N413 | L411-N420 PolarHBondContact N-O 2.76Å; L411-N420 PolarHBondContact O-N 3.05Å; N413-N420 WeakPolarHBondContact OD1-CB 3.03Å |
| 421 | C | 83.2 | Confident | 72.6 | Confident | 7 Ų | 7 | 80.9 Ų | 80.9 | 5% | 0.047 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 114.1 | 175.8 | -61 | 0 | 0 | 0 | 0 | 109.5 | C404 A408 T409 C423 | C404-C421 WeakPolarHBondContact CA-SG 2.99Å; C404-C421 HydrophobicContact CB-CB 3.7Å; C404-C421 WeakPolarHBondContact CB-SG 3.44Å; C404-C421 WeakPolarHBondContact SG-CA 3.22Å; C404-C421 WeakPolarHBondContact SG-CB 3.41Å; C404-C421 CovalentContact SG-SG 2.03Å; C404-C421 PolarHBondContact SG-SG 3.25Å; A408-C421 HydrophobicContact CB-CB 4.14Å; T409-C421 WeakPolarHBondContact O-CA 3.03Å; C421-C423 PolarHBondContact O-N 2.04Å; C421-C423 VanDerWaalsContact O-N 3.17Å |
| 422 | S | 85 | Confident | 72.6 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 99.7 | 173.6 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | A408 T409 | A408-S422 VanDerWaalsContact CA-O 3.25Å; A408-S422 WeakPolarHBondContact CA-O 3.13Å; A408-S422 VanDerWaalsContact CB-O 3.24Å; A408-S422 WeakPolarHBondContact CB-O 3.33Å; T409-S422 PolarHBondContact N-O 3.01Å; T409-S422 PolarHBondContact O-N 3.47Å |
| 423 | C | 80 | Confident | 73.1 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 30% | 0.297 | 42% | 0.415 | S | S | . | . | trans | -76.2 | 146.5 | -175.6 | -51.6 | 0 | 0 | 0 | 0 | 113.6 | C421 F427 C432 | C421-C423 PolarHBondContact O-N 2.04Å; C421-C423 VanDerWaalsContact O-N 3.17Å; C423-F427 HydrophobicContact CB-CB 4.49Å; C423-C432 WeakPolarHBondContact CA-SG 3.42Å; C423-C432 HydrophobicContact CB-CB 3.66Å; C423-C432 WeakPolarHBondContact CB-SG 3.27Å; C423-C432 WeakPolarHBondContact SG-CA 3.19Å; C423-C432 WeakPolarHBondContact SG-CB 3.37Å; C423-C432 CovalentContact SG-SG 2.02Å; C423-C432 PolarHBondContact SG-SG 3.47Å | ||
| 424 | L | 76.7 | Confident | 73.3 | Confident | 86 Ų | 86 | 80.5 Ų | 80.5 | 45% | 0.45 | 42% | 0.423 | S | S | . | . | trans | -66.1 | 153 | 168.1 | -71.1 | 171.5 | 0 | 0 | 0 | 111.4 | N406 N407 L426 F427 | N406-L424 WeakPolarHBondContact O-CD1 3.2Å; N407-L424 HydrophobicContact CB-CD1 4.36Å; L424-L426 PolarHBondContact O-N 2.78Å; L424-F427 HydrophobicContact CB-CD2 4.11Å; L424-F427 PolarHBondContact O-N 3.5Å | ||
| 425 | P | 76 | Confident | 73.2 | Confident | 128 Ų | 128 | 80.7 Ų | 80.7 | 83% | 0.831 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17 | -166.4 | -28.2 | 35 | 0 | 0 | 0 | 117.7 | ||
| 426 | L | 67.9 | Low | 73.3 | Confident | 121 Ų | 121 | 83.5 Ų | 83.5 | 63% | 0.634 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -4.2 | -179.1 | -66.5 | 171.8 | 0 | 0 | 0 | 113.4 | L424 | L424-L426 PolarHBondContact O-N 2.78Š|
| 427 | F | 77 | Confident | 73.5 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.9 | -174.7 | -62.6 | -88.9 | 0 | 0 | 0 | 112.1 | N406 C423 L424 C432 Y434 | N406-F427 HydrophobicContact CB-CD1 4.1Å; N406-F427 HydrophobicContact CB-CD2 4.35Å; N406-F427 HydrophobicContact CB-CE1 4.14Å; N406-F427 HydrophobicContact CB-CE2 4.39Å; N406-F427 HydrophobicContact CB-CG 4.2Å; N406-F427 HydrophobicContact CB-CZ 4.28Å; N406-F427 WeakPolarHBondContact ND2-CD1 3.48Å; C423-F427 HydrophobicContact CB-CB 4.49Å; L424-F427 HydrophobicContact CB-CD2 4.11Å; L424-F427 PolarHBondContact O-N 3.5Å; F427-C432 HydrophobicContact CB-CB 4.38Å; F427-Y434 CarbonylContact C-O 3.43Å; F427-Y434 WeakPolarHBondContact CA-O 3.38Å |
| 428 | Q | 77 | Confident | 73.7 | Confident | 65 Ų | 65 | 84.9 Ų | 84.9 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 171.3 | 174.9 | 72 | -177.8 | 7.4 | 0 | 0 | 109.4 | C432 E433 Y434 D440 | Q428-C432 CarbonylContact O-C 3.57Å; Q428-E433 PolarHBondContact O-N 2.88Å; Q428-Y434 PolarHBondContact N-O 3.08Å; Q428-Y434 WeakPolarHBondContact O-CA 3.44Å; Q428-Y434 WeakPolarHBondContact O-CB 3.29Å; Q428-Y434 PolarHBondContact O-N 3.08Å; Q428-D440 PolarHBondContact NE2-OD2 2.91Å |
| 429 | G | 74 | Confident | 73.9 | Confident | 34 Ų | 34 | 87 Ų | 87 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 108.9 | 164.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y431 C432 E433 | G429-Y431 VanDerWaalsContact C-N 3.28Å; G429-Y431 PolarHBondContact O-N 3.3Å; G429-C432 PolarHBondContact O-N 2.97Å; G429-E433 WeakPolarHBondContact CA-OE2 3.45Å |
| 430 | R | 82.9 | Confident | 73.4 | Confident | 193 Ų | 193 | 88.9 Ų | 88.9 | 73% | 0.728 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -31 | -172.5 | -172.9 | 178 | -167.9 | 171.2 | 3.6 | 112.3 | E433 | R430-E433 PolarHBondContact N-OE1 3.38Å; R430-E433 PolarHBondContact N-OE2 2.05Å; R430-E433 VanDerWaalsContact N-OE2 3.08Å |
| 431 | Y | 83.1 | Confident | 72.8 | Confident | 75 Ų | 75 | 88 Ų | 88 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 17 | 176.7 | -50.1 | -54.4 | 0 | 0 | 0 | 110.9 | L403 Q405 Y419 G429 E433 | L403-Y431 HydrophobicContact CB-CD1 4.32Å; L403-Y431 HydrophobicContact CB-CE1 4.43Å; Q405-Y431 WeakPolarHBondContact CA-O 3.45Å; Q405-Y431 WeakPolarHBondContact CB-O 3.38Å; Q405-Y431 PolarHBondContact N-O 3.41Å; Y419-Y431 HydrophobicContact CE2-CD1 4.38Å; Y419-Y431 HydrophobicContact CE2-CE1 4.26Å; Y419-Y431 AromaticContact CZ-CE1 3.98Å; Y419-Y431 WeakPolarHBondContact OH-CE1 3.24Å; G429-Y431 VanDerWaalsContact C-N 3.28Å; G429-Y431 PolarHBondContact O-N 3.3Å; Y431-E433 VanDerWaalsContact C-OE2 3.26Å; Y431-E433 WeakPolarHBondContact CA-OE2 3.34Å; Y431-E433 PolarHBondContact N-OE2 2.04Å |
| 432 | C | 80.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 63 | 35.9 | -176.7 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | N406 A408 C423 F427 Q428 G429 | N406-C432 PolarHBondContact ND2-O 3.24Å; A408-C432 HydrophobicContact CB-CB 3.89Å; A408-C432 WeakPolarHBondContact CB-SG 3.07Å; C423-C432 WeakPolarHBondContact CA-SG 3.42Å; C423-C432 HydrophobicContact CB-CB 3.66Å; C423-C432 WeakPolarHBondContact CB-SG 3.27Å; C423-C432 WeakPolarHBondContact SG-CA 3.19Å; C423-C432 WeakPolarHBondContact SG-CB 3.37Å; C423-C432 CovalentContact SG-SG 2.02Å; C423-C432 PolarHBondContact SG-SG 3.47Å; F427-C432 HydrophobicContact CB-CB 4.38Å; Q428-C432 CarbonylContact O-C 3.57Å; G429-C432 PolarHBondContact O-N 2.97Å |
| 433 | E | 80.6 | Confident | 72.1 | Confident | 56 Ų | 56 | 94 Ų | 94 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | trans | -86.1 | -17.1 | -169.3 | 68 | -84.8 | -161 | 0 | 0 | 116.1 | Q428 G429 R430 Y431 | Q428-E433 PolarHBondContact O-N 2.88Å; G429-E433 WeakPolarHBondContact CA-OE2 3.45Å; R430-E433 PolarHBondContact N-OE1 3.38Å; R430-E433 PolarHBondContact N-OE2 2.05Å; R430-E433 VanDerWaalsContact N-OE2 3.08Å; Y431-E433 VanDerWaalsContact C-OE2 3.26Å; Y431-E433 WeakPolarHBondContact CA-OE2 3.34Å; Y431-E433 PolarHBondContact N-OE2 2.04Å | ||
| 434 | Y | 70.7 | Confident | 72.4 | Confident | 140 Ų | 140 | 92.9 Ų | 92.9 | 55% | 0.549 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 162.4 | -171.7 | -55.3 | -62 | 0 | 0 | 0 | 114.3 | F427 Q428 | F427-Y434 CarbonylContact C-O 3.43Å; F427-Y434 WeakPolarHBondContact CA-O 3.38Å; Q428-Y434 PolarHBondContact N-O 3.08Å; Q428-Y434 WeakPolarHBondContact O-CA 3.44Å; Q428-Y434 WeakPolarHBondContact O-CB 3.29Å; Q428-Y434 PolarHBondContact O-N 3.08Å |
| 435 | K | 57.4 | Low | 72.7 | Confident | 170 Ų | 170 | 96.8 Ų | 96.8 | 74% | 0.739 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.1 | 174.1 | -164 | 176.7 | -177.3 | 179.7 | 0 | 110.2 | ||
| 436 | R | 58.2 | Low | 72.7 | Confident | 191 Ų | 191 | 94.1 Ų | 94.1 | 72% | 0.721 | 47% | 0.465 | S | S | * | . | trans | -77.3 | 139.5 | -168.1 | -164.9 | 171.3 | -171.1 | 164.1 | 3.8 | 115.1 | ||||
| 437 | G | 58.3 | Low | 73 | Confident | 41 Ų | 41 | 91.8 Ų | 91.8 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | trans | -120.6 | 167.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | C439 D440 | G437-C439 PolarHBondContact O-N 3.02Å; G437-D440 PolarHBondContact N-OD2 2.8Å; G437-D440 VanDerWaalsContact N-OD2 3.12Å; G437-D440 VanDerWaalsContact O-CB 3.3Å; G437-D440 WeakPolarHBondContact O-CB 3.42Å; G437-D440 PolarHBondContact O-N 2.74Å | ||
| 438 | L | 62.4 | Low | 73.2 | Confident | 130 Ų | 130 | 89 Ų | 89 | 68% | 0.681 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.7 | -165.7 | -89.9 | 108.5 | 0 | 0 | 0 | 118.4 | E457 | L438-E457 WeakPolarHBondContact CD2-O 3.19Š|
| 439 | C | 68.9 | Low | 73.5 | Confident | 63 Ų | 63 | 90 Ų | 90 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -0.1 | 173.1 | -68.8 | 0 | 0 | 0 | 0 | 112.9 | G437 G441 N442 | G437-C439 PolarHBondContact O-N 3.02Å; C439-G441 PolarHBondContact O-N 3.44Å; C439-N442 PolarHBondContact O-N 3.09Å; C439-N442 PolarHBondContact O-ND2 3.22Å; C439-N442 VanDerWaalsContact O-ND2 3.16Å |
| 440 | D | 62.7 | Low | 74 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 109.8 | 174.8 | -71.2 | -28.1 | 0 | 0 | 0 | 109.2 | Q428 G437 | Q428-D440 PolarHBondContact NE2-OD2 2.91Å; G437-D440 PolarHBondContact N-OD2 2.8Å; G437-D440 VanDerWaalsContact N-OD2 3.12Å; G437-D440 VanDerWaalsContact O-CB 3.3Å; G437-D440 WeakPolarHBondContact O-CB 3.42Å; G437-D440 PolarHBondContact O-N 2.74Å |
| 441 | G | 65.3 | Low | 73.9 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 75% | 0.753 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 28 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | C439 | C439-G441 PolarHBondContact O-N 3.44Š|
| 442 | N | 73.4 | Confident | 73.4 | Confident | 63 Ų | 63 | 85 Ų | 85 | 34% | 0.337 | 45% | 0.454 | S | S | . | . | trans | -57.9 | 145.5 | 171.7 | 71.6 | 81.9 | 0 | 0 | 0 | 111.5 | C439 C444 C450 Y460 | C439-N442 PolarHBondContact O-N 3.09Å; C439-N442 PolarHBondContact O-ND2 3.22Å; C439-N442 VanDerWaalsContact O-ND2 3.16Å; N442-C444 VanDerWaalsContact C-N 3.32Å; N442-C444 WeakPolarHBondContact OD1-CB 3.26Å; N442-C444 PolarHBondContact OD1-N 3.19Å; N442-C450 HydrophobicContact CB-CB 4Å; N442-C450 WeakPolarHBondContact CB-SG 3.42Å; N442-Y460 HydrophobicContact CB-CD2 4.19Å; N442-Y460 HydrophobicContact CB-CE2 3.89Å | ||
| 443 | K | 81.9 | Confident | 73 | Confident | 134 Ų | 134 | 85.3 Ų | 85.3 | 58% | 0.583 | 46% | 0.456 | S | S | * | . | trans | -89.5 | 7.3 | -179.2 | -66.6 | -179.7 | -180 | -177.1 | 0 | 113.1 | R445 Y460 F472 | K443-R445 WeakPolarHBondContact O-CG 3.15Å; K443-R445 PolarHBondContact O-N 3.45Å; K443-Y460 VanDerWaalsContact CB-OH 3.29Å; K443-Y460 WeakPolarHBondContact CB-OH 3.42Å; K443-Y460 WeakPolarHBondContact CG-OH 3.3Å; K443-Y460 PolarHBondContact N-OH 2.99Å; K443-F472 HydrophobicContact CB-CD1 3.52Å; K443-F472 HydrophobicContact CB-CE1 3.64Å; K443-F472 HydrophobicContact CB-CG 4.09Å; K443-F472 HydrophobicContact CB-CZ 4.29Å; K443-F472 HydrophobicContact CD-CE1 4.16Å; K443-F472 HydrophobicContact CD-CZ 4.05Å; K443-F472 HydrophobicContact CG-CE1 4.49Å; K443-F472 WeakPolarHBondContact O-CB 3.08Å | ||
| 444 | C | 85.6 | Confident | 72.6 | Confident | 21 Ų | 21 | 88 Ų | 88 | 14% | 0.142 | 48% | 0.479 | C | S | . | . | trans | -65.8 | 127.9 | -179.3 | -54 | 0 | 0 | 0 | 0 | 110.2 | N442 A448 C462 | N442-C444 VanDerWaalsContact C-N 3.32Å; N442-C444 WeakPolarHBondContact OD1-CB 3.26Å; N442-C444 PolarHBondContact OD1-N 3.19Å; C444-A448 HydrophobicContact CB-CB 3.95Å; C444-C462 WeakPolarHBondContact CA-SG 3.3Å; C444-C462 HydrophobicContact CB-CB 3.72Å; C444-C462 WeakPolarHBondContact CB-SG 3.02Å; C444-C462 WeakPolarHBondContact SG-CA 3.32Å; C444-C462 WeakPolarHBondContact SG-CB 3.24Å; C444-C462 CovalentContact SG-SG 2.03Å; C444-C462 PolarHBondContact SG-SG 2.77Å | ||
| 445 | R | 82.7 | Confident | 72.8 | Confident | 168 Ų | 168 | 88.3 Ų | 88.3 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | trans | -109.2 | 169.9 | -176 | -59 | -114.3 | -176 | -154.6 | 3 | 110.3 | K443 G447 A448 F472 D474 | K443-R445 WeakPolarHBondContact O-CG 3.15Å; K443-R445 PolarHBondContact O-N 3.45Å; R445-G447 VanDerWaalsContact C-N 3.32Å; R445-G447 PolarHBondContact O-N 2.78Å; R445-A448 WeakPolarHBondContact O-CB 3.09Å; R445-A448 PolarHBondContact O-N 3.17Å; R445-F472 WeakPolarHBondContact CB-O 3.1Å; R445-F472 PolarHBondContact N-O 2.87Å; R445-D474 HydrophobicContact CB-CB 4.38Å; R445-D474 HydrophobicContact CG-CB 4.26Å | ||
| 446 | N | 75.6 | Confident | 73.2 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 42.1 | 169.6 | -57.6 | -32.9 | 0 | 0 | 0 | 114.7 | A448 P465 F468 C473 | N446-A448 VanDerWaalsContact C-N 3.26Å; N446-A448 PolarHBondContact O-N 3.08Å; N446-P465 WeakPolarHBondContact O-CG 3.34Å; N446-F468 HydrophobicContact CB-CD1 3.72Å; N446-F468 HydrophobicContact CB-CD2 3.99Å; N446-F468 HydrophobicContact CB-CE1 3.75Å; N446-F468 HydrophobicContact CB-CE2 4.03Å; N446-F468 HydrophobicContact CB-CG 3.83Å; N446-F468 HydrophobicContact CB-CZ 3.91Å; N446-F468 VanDerWaalsContact CG-CE1 3.45Å; N446-F468 WeakPolarHBondContact ND2-CD1 3.32Å; N446-F468 WeakPolarHBondContact ND2-CE1 3.47Å; N446-C473 WeakPolarHBondContact CB-O 3.08Å; N446-C473 PolarHBondContact ND2-O 3.41Å |
| 447 | G | 75.6 | Confident | 73.5 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 74% | 0.742 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 14.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R445 | R445-G447 VanDerWaalsContact C-N 3.32Å; R445-G447 PolarHBondContact O-N 2.78Å |
| 448 | A | 80.2 | Confident | 73.8 | Confident | 14 Ų | 14 | 82.6 Ų | 82.6 | 12% | 0.116 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 139.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C444 R445 N446 C450 C462 K463 C473 | C444-A448 HydrophobicContact CB-CB 3.95Å; R445-A448 WeakPolarHBondContact O-CB 3.09Å; R445-A448 PolarHBondContact O-N 3.17Å; N446-A448 VanDerWaalsContact C-N 3.26Å; N446-A448 PolarHBondContact O-N 3.08Å; A448-C450 PolarHBondContact O-N 3.01Å; A448-C462 HydrophobicContact CB-CB 4.26Å; A448-K463 WeakPolarHBondContact CA-O 3Å; A448-K463 VanDerWaalsContact CB-O 3.25Å; A448-K463 WeakPolarHBondContact CB-O 3.24Å; A448-C473 HydrophobicContact CB-CB 3.62Å; A448-C473 WeakPolarHBondContact CB-SG 3.47Å |
| 449 | T | 83.3 | Confident | 74.2 | Confident | 86 Ų | 86 | 81 Ų | 81 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.9 | -179.6 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | T451 K463 | T449-T451 HydrophobicContact CG2-CG2 4.19Å; T449-K463 PolarHBondContact N-O 3.25Å; T449-K463 VanDerWaalsContact N-O 3.14Å; T449-K463 PolarHBondContact O-N 3.33Å |
| 450 | C | 84.2 | Confident | 74.6 | Confident | 29 Ų | 29 | 81 Ų | 81 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.3 | 174.5 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | N442 A448 Y460 | N442-C450 HydrophobicContact CB-CB 4Å; N442-C450 WeakPolarHBondContact CB-SG 3.42Å; A448-C450 PolarHBondContact O-N 3.01Å; C450-Y460 VanDerWaalsContact SG-CD2 3.51Å |
| 451 | T | 80.6 | Confident | 75.5 | Confident | 47 Ų | 47 | 79.9 Ų | 79.9 | 29% | 0.288 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.8 | 179 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | T449 S453 Y460 I461 | T449-T451 HydrophobicContact CG2-CG2 4.19Å; T451-S453 PolarHBondContact O-N 2.03Å; T451-Y460 CarbonylContact O-C 3.4Å; T451-Y460 VanDerWaalsContact O-CA 3.24Å; T451-Y460 WeakPolarHBondContact O-CA 3.22Å; T451-Y460 WeakPolarHBondContact O-CB 3.18Å; T451-I461 PolarHBondContact N-O 3.15Å; T451-I461 PolarHBondContact O-N 3.36Å; T451-I461 PolarHBondContact OG1-O 2.75Å |
| 452 | K | 74.3 | Confident | 76.5 | Confident | 122 Ų | 122 | 77.2 Ų | 77.2 | 53% | 0.53 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.1 | 172.2 | -172.2 | -179.2 | -179.8 | -177.4 | 0 | 109.1 | E457 | K452-E457 IonicContact NZ-OE1 3.75Å; K452-E457 PolarHBondContact NZ-OE1 2.8Å |
| 453 | S | 72.4 | Confident | 77 | Confident | 7 Ų | 7 | 80.6 Ų | 80.6 | 5% | 0.049 | 44% | 0.437 | C | S | . | . | trans | -62.4 | 132.8 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | T451 D455 E459 | T451-S453 PolarHBondContact O-N 2.03Å; S453-D455 PolarHBondContact O-N 3.25Å; S453-D455 PolarHBondContact OG-N 3.43Å; S453-E459 VanDerWaalsContact CB-O 3.3Å; S453-E459 WeakPolarHBondContact CB-O 3.16Å; S453-E459 PolarHBondContact N-O 3.12Å | ||
| 454 | P | 71.4 | Confident | 77.1 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.2 | 169.8 | -19.1 | 30.9 | 0 | 0 | 0 | 112.3 | ||
| 455 | D | 74.2 | Confident | 76.8 | Confident | 145 Ų | 145 | 78.2 Ų | 78.2 | 78% | 0.775 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.7 | -169 | -56.8 | -48.3 | 0 | 0 | 0 | 113.5 | S453 | S453-D455 PolarHBondContact O-N 3.25Å; S453-D455 PolarHBondContact OG-N 3.43Å |
| 456 | S | 66.2 | Low | 76.3 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | trans | -158.4 | 132.5 | -175.6 | 174.2 | 0 | 0 | 0 | 0 | 113.1 | A458 E459 | S456-A458 PolarHBondContact O-N 2.97Å; S456-A458 PolarHBondContact OG-N 2.02Å; S456-E459 PolarHBondContact O-N 2.73Å | ||
| 457 | E | 65.1 | Low | 76.3 | Confident | 152 Ų | 152 | 76.8 Ų | 76.8 | 71% | 0.71 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.9 | 173.8 | -66.4 | -150.9 | 110.7 | 0 | 0 | 114.5 | L438 K452 | L438-E457 WeakPolarHBondContact CD2-O 3.19Å; K452-E457 IonicContact NZ-OE1 3.75Å; K452-E457 PolarHBondContact NZ-OE1 2.8Å |
| 458 | A | 65 | Low | 76.5 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 71% | 0.711 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S456 | S456-A458 PolarHBondContact O-N 2.97Å; S456-A458 PolarHBondContact OG-N 2.02Å |
| 459 | E | 68.9 | Low | 76.5 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 46% | 0.458 | 43% | 0.432 | S | S | . | . | trans | -125.2 | 152.5 | -170.5 | -156.9 | 170.8 | -157.3 | 0 | 0 | 112.6 | S453 S456 | S453-E459 VanDerWaalsContact CB-O 3.3Å; S453-E459 WeakPolarHBondContact CB-O 3.16Å; S453-E459 PolarHBondContact N-O 3.12Å; S456-E459 PolarHBondContact O-N 2.73Å | ||
| 460 | Y | 77.6 | Confident | 76.3 | Confident | 62 Ų | 62 | 75.8 Ų | 75.8 | 24% | 0.243 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.4 | 175.8 | 69.7 | -91 | 0 | 0 | 0 | 111.2 | N442 K443 C450 T451 | N442-Y460 HydrophobicContact CB-CD2 4.19Å; N442-Y460 HydrophobicContact CB-CE2 3.89Å; K443-Y460 VanDerWaalsContact CB-OH 3.29Å; K443-Y460 WeakPolarHBondContact CB-OH 3.42Å; K443-Y460 WeakPolarHBondContact CG-OH 3.3Å; K443-Y460 PolarHBondContact N-OH 2.99Å; C450-Y460 VanDerWaalsContact SG-CD2 3.51Å; T451-Y460 CarbonylContact O-C 3.4Å; T451-Y460 VanDerWaalsContact O-CA 3.24Å; T451-Y460 WeakPolarHBondContact O-CA 3.22Å; T451-Y460 WeakPolarHBondContact O-CB 3.18Å |
| 461 | I | 82 | Confident | 76.3 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 36% | 0.359 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141 | -178.4 | -57.6 | 177 | 0 | 0 | 0 | 110 | T451 | T451-I461 PolarHBondContact N-O 3.15Å; T451-I461 PolarHBondContact O-N 3.36Å; T451-I461 PolarHBondContact OG1-O 2.75Å |
| 462 | C | 85.9 | Confident | 76.5 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 11% | 0.108 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.5 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | C444 A448 | C444-C462 WeakPolarHBondContact CA-SG 3.3Å; C444-C462 HydrophobicContact CB-CB 3.72Å; C444-C462 WeakPolarHBondContact CB-SG 3.02Å; C444-C462 WeakPolarHBondContact SG-CA 3.32Å; C444-C462 WeakPolarHBondContact SG-CB 3.24Å; C444-C462 CovalentContact SG-SG 2.03Å; C444-C462 PolarHBondContact SG-SG 2.77Å; A448-C462 HydrophobicContact CB-CB 4.26Å |
| 463 | K | 85 | Confident | 77 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 58% | 0.583 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.8 | 173.3 | -65.9 | -176.7 | 177.7 | -178.9 | 0 | 111 | A448 T449 | A448-K463 WeakPolarHBondContact CA-O 3Å; A448-K463 VanDerWaalsContact CB-O 3.25Å; A448-K463 WeakPolarHBondContact CB-O 3.24Å; T449-K463 PolarHBondContact N-O 3.25Å; T449-K463 VanDerWaalsContact N-O 3.14Å; T449-K463 PolarHBondContact O-N 3.33Å |
| 464 | C | 83.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 80 Ų | 80 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 137.8 | -173.2 | -51 | 0 | 0 | 0 | 0 | 113.5 | G470 C473 | C464-G470 PolarHBondContact SG-O 3.31Å; C464-G470 VanDerWaalsContact SG-O 3.41Å; C464-C473 WeakPolarHBondContact CA-SG 3.48Å; C464-C473 HydrophobicContact CB-CB 3.6Å; C464-C473 WeakPolarHBondContact CB-SG 3.22Å; C464-C473 PolarHBondContact N-SG 3.08Å; C464-C473 WeakPolarHBondContact SG-CA 3.34Å; C464-C473 WeakPolarHBondContact SG-CB 3.46Å; C464-C473 CovalentContact SG-SG 2.03Å; C464-C473 PolarHBondContact SG-SG 3.1Å |
| 465 | P | 79.4 | Confident | 77.8 | Confident | 52 Ų | 52 | 78 Ų | 78 | 34% | 0.338 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 167.3 | 169.5 | -7 | 20.5 | 0 | 0 | 0 | 112.6 | N446 F468 | N446-P465 WeakPolarHBondContact O-CG 3.34Å; P465-F468 HydrophobicContact CB-CD2 4.46Å; P465-F468 HydrophobicContact CG-CD2 4.4Å; P465-F468 PolarHBondContact O-N 3.18Å |
| 466 | A | 71.9 | Confident | 77.6 | Confident | 71 Ų | 71 | 75 Ų | 75 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 146 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F468 | A466-F468 VanDerWaalsContact C-N 3.3Å; A466-F468 PolarHBondContact O-N 2.86Å |
| 467 | Y | 76.3 | Confident | 77.8 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 54% | 0.541 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -0.2 | -177.6 | -38.3 | -72.4 | 0 | 0 | 0 | 116.7 | I477 P497 | Y467-I477 PolarHBondContact O-N 3.3Å; Y467-I477 VanDerWaalsContact O-N 3.16Å; Y467-P497 HydrophobicContact CD2-CB 4.44Å; Y467-P497 HydrophobicContact CG-CB 4.25Å |
| 468 | F | 79 | Confident | 78.1 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.1 | 174.1 | -61.1 | -80.3 | 0 | 0 | 0 | 112.8 | N446 P465 A466 T475 E476 P497 | N446-F468 HydrophobicContact CB-CD1 3.72Å; N446-F468 HydrophobicContact CB-CD2 3.99Å; N446-F468 HydrophobicContact CB-CE1 3.75Å; N446-F468 HydrophobicContact CB-CE2 4.03Å; N446-F468 HydrophobicContact CB-CG 3.83Å; N446-F468 HydrophobicContact CB-CZ 3.91Å; N446-F468 VanDerWaalsContact CG-CE1 3.45Å; N446-F468 WeakPolarHBondContact ND2-CD1 3.32Å; N446-F468 WeakPolarHBondContact ND2-CE1 3.47Å; P465-F468 HydrophobicContact CB-CD2 4.46Å; P465-F468 HydrophobicContact CG-CD2 4.4Å; P465-F468 PolarHBondContact O-N 3.18Å; A466-F468 VanDerWaalsContact C-N 3.3Å; A466-F468 PolarHBondContact O-N 2.86Å; F468-T475 CarbonylContact C-O 3.55Å; F468-T475 VanDerWaalsContact CA-O 3.23Å; F468-T475 WeakPolarHBondContact CA-O 3.44Å; F468-E476 HydrophobicContact CD1-CB 4.27Å; F468-E476 HydrophobicContact CE1-CB 4.13Å; F468-E476 HydrophobicContact CE1-CG 4.21Å; F468-P497 HydrophobicContact CE2-CB 4.44Å; F468-P497 HydrophobicContact CE2-CG 4.11Å; F468-P497 HydrophobicContact CZ-CB 4.28Å; F468-P497 HydrophobicContact CZ-CG 3.74Å |
| 469 | T | 80.1 | Confident | 78.3 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 175.6 | 178.2 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | C473 D474 T475 | T469-C473 CarbonylContact O-C 3.49Å; T469-C473 WeakPolarHBondContact O-CA 3.26Å; T469-D474 PolarHBondContact O-N 3.01Å; T469-D474 VanDerWaalsContact O-N 3.16Å; T469-T475 HydrophobicContact CG2-CG2 3.74Å; T469-T475 PolarHBondContact N-O 3.36Å; T469-T475 WeakPolarHBondContact O-CB 3.05Å; T469-T475 PolarHBondContact O-N 3.28Å |
| 470 | G | 80.2 | Confident | 78.9 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 99.8 | 161.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C464 F472 C473 | C464-G470 PolarHBondContact SG-O 3.31Å; C464-G470 VanDerWaalsContact SG-O 3.41Å; G470-F472 PolarHBondContact O-N 3.02Å; G470-F472 VanDerWaalsContact O-N 3.15Å; G470-C473 PolarHBondContact O-N 2.02Å |
| 471 | K | 82.4 | Confident | 79 | Confident | 153 Ų | 153 | 71.8 Ų | 71.8 | 67% | 0.665 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30.8 | -178.6 | 179.4 | 174.1 | -179.6 | 170.6 | 0 | 112.9 | ||
| 472 | F | 86.7 | Confident | 78.7 | Confident | 56 Ų | 56 | 73 Ų | 73 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 11.7 | -179.2 | -61.1 | -61 | 0 | 0 | 0 | 112.2 | K443 R445 G470 D474 | K443-F472 HydrophobicContact CB-CD1 3.52Å; K443-F472 HydrophobicContact CB-CE1 3.64Å; K443-F472 HydrophobicContact CB-CG 4.09Å; K443-F472 HydrophobicContact CB-CZ 4.29Å; K443-F472 HydrophobicContact CD-CE1 4.16Å; K443-F472 HydrophobicContact CD-CZ 4.05Å; K443-F472 HydrophobicContact CG-CE1 4.49Å; K443-F472 WeakPolarHBondContact O-CB 3.08Å; R445-F472 WeakPolarHBondContact CB-O 3.1Å; R445-F472 PolarHBondContact N-O 2.87Å; G470-F472 PolarHBondContact O-N 3.02Å; G470-F472 VanDerWaalsContact O-N 3.15Å; F472-D474 VanDerWaalsContact C-N 3.26Å; F472-D474 PolarHBondContact O-N 2.88Å |
| 473 | C | 83.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 42% | 0.424 | C | S | . | . | S | Bend | trans | 58.6 | 38.1 | -178.4 | -45.1 | 0 | 0 | 0 | 0 | 112.9 | N446 A448 C464 T469 G470 | N446-C473 WeakPolarHBondContact CB-O 3.08Å; N446-C473 PolarHBondContact ND2-O 3.41Å; A448-C473 HydrophobicContact CB-CB 3.62Å; A448-C473 WeakPolarHBondContact CB-SG 3.47Å; C464-C473 WeakPolarHBondContact CA-SG 3.48Å; C464-C473 HydrophobicContact CB-CB 3.6Å; C464-C473 WeakPolarHBondContact CB-SG 3.22Å; C464-C473 PolarHBondContact N-SG 3.08Å; C464-C473 WeakPolarHBondContact SG-CA 3.34Å; C464-C473 WeakPolarHBondContact SG-CB 3.46Å; C464-C473 CovalentContact SG-SG 2.03Å; C464-C473 PolarHBondContact SG-SG 3.1Å; T469-C473 CarbonylContact O-C 3.49Å; T469-C473 WeakPolarHBondContact O-CA 3.26Å; G470-C473 PolarHBondContact O-N 2.02Å |
| 474 | D | 83.6 | Confident | 78.4 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | trans | -97.4 | -8.5 | -170.7 | 54.5 | -26.4 | 0 | 0 | 0 | 114.2 | R445 T469 F472 | R445-D474 HydrophobicContact CB-CB 4.38Å; R445-D474 HydrophobicContact CG-CB 4.26Å; T469-D474 PolarHBondContact O-N 3.01Å; T469-D474 VanDerWaalsContact O-N 3.16Å; F472-D474 VanDerWaalsContact C-N 3.26Å; F472-D474 PolarHBondContact O-N 2.88Å | ||
| 475 | T | 76.8 | Confident | 78.7 | Confident | 70 Ų | 70 | 71 Ų | 71 | 43% | 0.429 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 121.6 | -174.8 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | F468 T469 | F468-T475 CarbonylContact C-O 3.55Å; F468-T475 VanDerWaalsContact CA-O 3.23Å; F468-T475 WeakPolarHBondContact CA-O 3.44Å; T469-T475 HydrophobicContact CG2-CG2 3.74Å; T469-T475 PolarHBondContact N-O 3.36Å; T469-T475 WeakPolarHBondContact O-CB 3.05Å; T469-T475 PolarHBondContact O-N 3.28Å |
| 476 | E | 69.6 | Low | 78.9 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 146.1 | 175.7 | -170.7 | -174.9 | -174.3 | 0 | 0 | 111.4 | F468 | F468-E476 HydrophobicContact CD1-CB 4.27Å; F468-E476 HydrophobicContact CE1-CB 4.13Å; F468-E476 HydrophobicContact CE1-CG 4.21Å |
| 477 | I | 71 | Confident | 79.5 | Confident | 101 Ų | 101 | 70.5 Ų | 70.5 | 52% | 0.518 | 38% | 0.383 | S | S | . | . | trans | -87.2 | 125.4 | 175.8 | -58.5 | 175.4 | 0 | 0 | 0 | 110.3 | Y467 P479 | Y467-I477 PolarHBondContact O-N 3.3Å; Y467-I477 VanDerWaalsContact O-N 3.16Å; I477-P479 WeakPolarHBondContact O-CD 3.33Å | ||
| 478 | D | 71.3 | Confident | 79.9 | Confident | 56 Ų | 56 | 71 Ų | 71 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | trans | -87.3 | 113.4 | -177.3 | -173.4 | -11.4 | 0 | 0 | 0 | 113.6 | C480 Q481 R493 | D478-C480 PolarHBondContact O-N 3.22Å; D478-C480 PolarHBondContact OD1-N 2.84Å; D478-Q481 HydrophobicContact CB-CG 4.23Å; D478-R493 VanDerWaalsContact OD1-CD 3.31Å; D478-R493 WeakPolarHBondContact OD1-CD 3.36Å; D478-R493 IonicContact OD1-NE 3.46Å; D478-R493 PolarHBondContact OD1-NE 2.89Å; D478-R493 IonicContact OD2-CZ 3.36Å; D478-R493 IonicContact OD2-NE 3.73Å; D478-R493 PolarHBondContact OD2-NE 2.68Å; D478-R493 IonicContact OD2-NH2 3.46Å | ||
| 479 | P | 69.7 | Low | 80 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -74.8 | -12.1 | 179.4 | 30.5 | -36.7 | 0 | 0 | 0 | 115.5 | I477 S482 R493 | I477-P479 WeakPolarHBondContact O-CD 3.33Å; P479-S482 PolarHBondContact O-OG 3.43Å; P479-R493 HydrophobicContact CG-CG 4.08Å |
| 480 | C | 81.2 | Confident | 80.4 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -84.7 | -7.2 | 179 | -77.5 | 0 | 0 | 0 | 0 | 113.7 | D478 S482 V483 C491 | D478-C480 PolarHBondContact O-N 3.22Å; D478-C480 PolarHBondContact OD1-N 2.84Å; C480-S482 PolarHBondContact O-N 2.97Å; C480-V483 PolarHBondContact O-N 3.41Å; C480-C491 VanDerWaalsContact CA-SG 3.56Å; C480-C491 HydrophobicContact CB-CB 3.96Å; C480-C491 WeakPolarHBondContact CB-SG 3.49Å; C480-C491 WeakPolarHBondContact SG-CB 3.1Å; C480-C491 CovalentContact SG-SG 2.06Å; C480-C491 PolarHBondContact SG-SG 2.91Å |
| 481 | Q | 79.5 | Confident | 80.8 | Confident | 165 Ų | 165 | 69.7 Ų | 69.7 | 77% | 0.771 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -65.4 | -18 | 177.1 | -70.8 | -142.1 | -14.1 | 0 | 0 | 114 | D478 | D478-Q481 HydrophobicContact CB-CG 4.23Š|
| 482 | S | 75.1 | Confident | 81 | Confident | 96 Ų | 96 | 70 Ų | 70 | 67% | 0.671 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -88.6 | 7.8 | 177 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | P479 C480 | P479-S482 PolarHBondContact O-OG 3.43Å; C480-S482 PolarHBondContact O-N 2.97Å |
| 483 | V | 81.5 | Confident | 80.6 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | trans | 45.7 | 62.6 | 178.1 | -163.3 | 0 | 0 | 0 | 0 | 113.8 | C480 C485 | C480-V483 PolarHBondContact O-N 3.41Å; V483-C485 PolarHBondContact O-N 2.85Å | ||
| 484 | P | 83.7 | Confident | 80.2 | Confident | 23 Ų | 23 | 80 Ų | 80 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | trans | -77.9 | -7.3 | -170 | 30.1 | -35.4 | 0 | 0 | 0 | 116.1 | C491 Y500 N512 | P484-C491 HydrophobicContact CG-CB 4.49Å; P484-Y500 HydrophobicContact CB-CD2 4.08Å; P484-Y500 HydrophobicContact CB-CE2 3.58Å; P484-Y500 HydrophobicContact CG-CD2 3.56Å; P484-Y500 HydrophobicContact CG-CE2 3.63Å; P484-Y500 HydrophobicContact CG-CG 4.13Å; P484-N512 VanDerWaalsContact O-CB 3.24Å; P484-N512 WeakPolarHBondContact O-CB 3.43Å; P484-N512 PolarHBondContact O-OD1 2.82Å | ||
| 485 | C | 89.1 | Confident | 79.5 | Confident | 20 Ų | 20 | 85.5 Ų | 85.5 | 14% | 0.135 | 45% | 0.447 | C | S | . | . | trans | -105.5 | 126.6 | -171.3 | -49 | 0 | 0 | 0 | 0 | 113 | V483 G489 C491 C502 | V483-C485 PolarHBondContact O-N 2.85Å; C485-G489 VanDerWaalsContact CB-O 3.31Å; C485-G489 WeakPolarHBondContact CB-O 3.37Å; C485-C491 VanDerWaalsContact SG-CA 3.57Å; C485-C502 WeakPolarHBondContact CA-SG 3.26Å; C485-C502 HydrophobicContact CB-CB 3.69Å; C485-C502 WeakPolarHBondContact CB-SG 3.19Å; C485-C502 WeakPolarHBondContact SG-CA 3.21Å; C485-C502 WeakPolarHBondContact SG-CB 3.16Å; C485-C502 CovalentContact SG-SG 2.03Å; C485-C502 PolarHBondContact SG-SG 2.07Å | ||
| 486 | A | 85.2 | Confident | 78.7 | Confident | 42 Ų | 42 | 88 Ų | 88 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | trans | -88.1 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N488 G489 N512 C513 | A486-N488 VanDerWaalsContact C-N 3.31Å; A486-N488 PolarHBondContact O-N 2.76Å; A486-N488 VanDerWaalsContact O-N 3.17Å; A486-G489 WeakPolarHBondContact O-CA 3.26Å; A486-G489 PolarHBondContact O-N 3.19Å; A486-N512 WeakPolarHBondContact CA-O 3.49Å; A486-N512 WeakPolarHBondContact CB-O 3.04Å; A486-N512 PolarHBondContact N-O 3.15Å; A486-C513 WeakPolarHBondContact O-CB 3.47Å | ||
| 487 | N | 83.8 | Confident | 78.4 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 44.4 | 174 | -62.1 | -40.4 | 0 | 0 | 0 | 115.3 | G489 T505 Y508 C513 | N487-G489 PolarHBondContact O-N 2.82Å; N487-T505 PolarHBondContact O-OG1 2.89Å; N487-Y508 HydrophobicContact CB-CD1 3.83Å; N487-Y508 HydrophobicContact CB-CD2 4.09Å; N487-Y508 HydrophobicContact CB-CE1 4.03Å; N487-Y508 HydrophobicContact CB-CE2 4.27Å; N487-Y508 HydrophobicContact CB-CG 3.85Å; N487-Y508 VanDerWaalsContact ND2-CD1 3.27Å; N487-Y508 WeakPolarHBondContact ND2-CD1 3.22Å; N487-C513 WeakPolarHBondContact CB-O 3.42Å; N487-C513 PolarHBondContact ND2-O 3.07Å |
| 488 | N | 84.5 | Confident | 78 | Confident | 150 Ų | 150 | 83 Ų | 83 | 80% | 0.802 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 24.6 | -175.6 | -98.1 | 15 | 0 | 0 | 0 | 114.1 | A486 T505 | A486-N488 VanDerWaalsContact C-N 3.31Å; A486-N488 PolarHBondContact O-N 2.76Å; A486-N488 VanDerWaalsContact O-N 3.17Å; N488-T505 HydrophobicContact CB-CG2 4.1Å |
| 489 | G | 82.2 | Confident | 78.1 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | C485 A486 N487 V503 | C485-G489 VanDerWaalsContact CB-O 3.31Å; C485-G489 WeakPolarHBondContact CB-O 3.37Å; A486-G489 WeakPolarHBondContact O-CA 3.26Å; A486-G489 PolarHBondContact O-N 3.19Å; N487-G489 PolarHBondContact O-N 2.82Å; G489-V503 CarbonylContact C-O 3.56Å; G489-V503 WeakPolarHBondContact CA-O 3.04Å |
| 490 | S | 88.3 | Confident | 78.7 | Confident | 69 Ų | 69 | 86.8 Ų | 86.8 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.1 | 178.5 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | V503 | S490-V503 PolarHBondContact N-O 3.13Å; S490-V503 PolarHBondContact O-N 3.12Å |
| 491 | C | 87.7 | Confident | 78.9 | Confident | 41 Ų | 41 | 88 Ų | 88 | 28% | 0.277 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.7 | 173.5 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | C480 P484 C485 D501 | C480-C491 VanDerWaalsContact CA-SG 3.56Å; C480-C491 HydrophobicContact CB-CB 3.96Å; C480-C491 WeakPolarHBondContact CB-SG 3.49Å; C480-C491 WeakPolarHBondContact SG-CB 3.1Å; C480-C491 CovalentContact SG-SG 2.06Å; C480-C491 PolarHBondContact SG-SG 2.91Å; P484-C491 HydrophobicContact CG-CB 4.49Å; C485-C491 VanDerWaalsContact SG-CA 3.57Å; C491-D501 CarbonylContact C-O 3.49Å; C491-D501 WeakPolarHBondContact CA-O 3.37Å |
| 492 | R | 86.9 | Confident | 79.3 | Confident | 160 Ų | 160 | 81.2 Ų | 81.2 | 60% | 0.604 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.8 | 173 | -66.9 | -170.8 | 176 | -178.1 | 1.6 | 109.2 | Y500 D501 V503 | R492-Y500 CarbonylContact O-C 3.5Å; R492-Y500 VanDerWaalsContact O-CA 3.29Å; R492-Y500 WeakPolarHBondContact O-CA 3.19Å; R492-D501 HydrophobicContact CB-CB 4.33Å; R492-D501 PolarHBondContact N-O 3.24Å; R492-D501 PolarHBondContact O-N 3.38Å; R492-V503 HydrophobicContact CG-CG2 3.98Å |
| 493 | R | 77.5 | Confident | 79.9 | Confident | 137 Ų | 137 | 79.4 Ų | 79.4 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 139.6 | 165.5 | -80.8 | -171.9 | -90.2 | 152.8 | -6.4 | 109.5 | D478 P479 | D478-R493 VanDerWaalsContact OD1-CD 3.31Å; D478-R493 WeakPolarHBondContact OD1-CD 3.36Å; D478-R493 IonicContact OD1-NE 3.46Å; D478-R493 PolarHBondContact OD1-NE 2.89Å; D478-R493 IonicContact OD2-CZ 3.36Å; D478-R493 IonicContact OD2-NE 3.73Å; D478-R493 PolarHBondContact OD2-NE 2.68Å; D478-R493 IonicContact OD2-NH2 3.46Å; P479-R493 HydrophobicContact CG-CG 4.08Å |
| 494 | R | 75.4 | Confident | 80 | Confident | 127 Ų | 127 | 75.6 Ų | 75.6 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | trans | -89.3 | 169.2 | 171.5 | -71.8 | -127.2 | -174 | -146 | 2.5 | 110.8 | M496 Q499 D501 | R494-M496 PolarHBondContact O-N 3.49Å; R494-Q499 HydrophobicContact CB-CB 3.58Å; R494-Q499 HydrophobicContact CG-CB 4.02Å; R494-Q499 PolarHBondContact N-O 3.24Å; R494-D501 IonicContact CZ-OD1 2.79Å; R494-D501 IonicContact CZ-OD2 2.93Å; R494-D501 IonicContact NE-OD1 3.59Å; R494-D501 PolarHBondContact NE-OD1 3.36Å; R494-D501 IonicContact NE-OD2 3.35Å; R494-D501 PolarHBondContact NE-OD2 2.08Å; R494-D501 IonicContact NH1-OD2 2.79Å; R494-D501 IonicContact NH2-OD1 3.1Å; R494-D501 PolarHBondContact NH2-OD1 2.78Å; R494-D501 IonicContact NH2-OD2 2.84Å; R494-D501 PolarHBondContact NH2-OD2 3.02Å | ||
| 495 | E | 70 | Confident | 79.8 | Confident | 201 Ų | 201 | 77 Ų | 77 | 94% | 0.939 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -63.4 | -21.9 | 179.4 | -64.9 | -178.1 | 168.1 | 0 | 0 | 113.6 | ||
| 496 | M | 60.1 | Low | 79.3 | Confident | 123 Ų | 123 | 82.5 Ų | 82.5 | 61% | 0.606 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -91.3 | 132.1 | 175.8 | -79 | -179.5 | 168.4 | 0 | 0 | 111.5 | R494 G498 Q499 | R494-M496 PolarHBondContact O-N 3.49Å; M496-G498 PolarHBondContact O-N 3.17Å; M496-Q499 HydrophobicContact CB-CG 4.44Å; M496-Q499 PolarHBondContact O-N 3.22Å; M496-Q499 VanDerWaalsContact O-N 3.13Å |
| 497 | P | 62 | Low | 78.7 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 29% | 0.292 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 126.4 | 174.2 | -25.7 | 33.3 | 0 | 0 | 0 | 111.5 | Y467 F468 | Y467-P497 HydrophobicContact CD2-CB 4.44Å; Y467-P497 HydrophobicContact CG-CB 4.25Å; F468-P497 HydrophobicContact CE2-CB 4.44Å; F468-P497 HydrophobicContact CE2-CG 4.11Å; F468-P497 HydrophobicContact CZ-CB 4.28Å; F468-P497 HydrophobicContact CZ-CG 3.74Å |
| 498 | G | 63.2 | Low | 78.6 | Confident | 34 Ų | 34 | 84 Ų | 84 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -0.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | M496 | M496-G498 PolarHBondContact O-N 3.17Š|
| 499 | Q | 73.7 | Confident | 78.3 | Confident | 91 Ų | 91 | 80.2 Ų | 80.2 | 43% | 0.425 | 41% | 0.412 | S | S | . | . | trans | -97.8 | 145.5 | 174.1 | -83.8 | -176.5 | 10.1 | 0 | 0 | 113.5 | R494 M496 | R494-Q499 HydrophobicContact CB-CB 3.58Å; R494-Q499 HydrophobicContact CG-CB 4.02Å; R494-Q499 PolarHBondContact N-O 3.24Å; M496-Q499 HydrophobicContact CB-CG 4.44Å; M496-Q499 PolarHBondContact O-N 3.22Å; M496-Q499 VanDerWaalsContact O-N 3.13Å | ||
| 500 | Y | 81.7 | Confident | 78.2 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 27% | 0.271 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.9 | 175.2 | 74.4 | -85.5 | 0 | 0 | 0 | 111.7 | P484 R492 N512 | P484-Y500 HydrophobicContact CB-CD2 4.08Å; P484-Y500 HydrophobicContact CB-CE2 3.58Å; P484-Y500 HydrophobicContact CG-CD2 3.56Å; P484-Y500 HydrophobicContact CG-CE2 3.63Å; P484-Y500 HydrophobicContact CG-CG 4.13Å; R492-Y500 CarbonylContact O-C 3.5Å; R492-Y500 VanDerWaalsContact O-CA 3.29Å; R492-Y500 WeakPolarHBondContact O-CA 3.19Å; Y500-N512 PolarHBondContact OH-OD1 3.42Å |
| 501 | D | 85.9 | Confident | 77.9 | Confident | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.283 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.4 | 170.8 | -93.1 | -5.8 | 0 | 0 | 0 | 110.4 | C491 R492 R494 | C491-D501 CarbonylContact C-O 3.49Å; C491-D501 WeakPolarHBondContact CA-O 3.37Å; R492-D501 HydrophobicContact CB-CB 4.33Å; R492-D501 PolarHBondContact N-O 3.24Å; R492-D501 PolarHBondContact O-N 3.38Å; R494-D501 IonicContact CZ-OD1 2.79Å; R494-D501 IonicContact CZ-OD2 2.93Å; R494-D501 IonicContact NE-OD1 3.59Å; R494-D501 PolarHBondContact NE-OD1 3.36Å; R494-D501 IonicContact NE-OD2 3.35Å; R494-D501 PolarHBondContact NE-OD2 2.08Å; R494-D501 IonicContact NH1-OD2 2.79Å; R494-D501 IonicContact NH2-OD1 3.1Å; R494-D501 PolarHBondContact NH2-OD1 2.78Å; R494-D501 IonicContact NH2-OD2 2.84Å; R494-D501 PolarHBondContact NH2-OD2 3.02Å |
| 502 | C | 87.6 | Confident | 77.9 | Confident | 22 Ų | 22 | 85.7 Ų | 85.7 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.3 | 166.2 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | C485 C504 K511 | C485-C502 WeakPolarHBondContact CA-SG 3.26Å; C485-C502 HydrophobicContact CB-CB 3.69Å; C485-C502 WeakPolarHBondContact CB-SG 3.19Å; C485-C502 WeakPolarHBondContact SG-CA 3.21Å; C485-C502 WeakPolarHBondContact SG-CB 3.16Å; C485-C502 CovalentContact SG-SG 2.03Å; C485-C502 PolarHBondContact SG-SG 2.07Å; C502-C504 PolarHBondContact O-N 3.34Å; C502-K511 WeakPolarHBondContact CB-O 3.43Å |
| 503 | V | 87.8 | Confident | 77.8 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 35% | 0.352 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 106.5 | 170.8 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | G489 S490 R492 | G489-V503 CarbonylContact C-O 3.56Å; G489-V503 WeakPolarHBondContact CA-O 3.04Å; S490-V503 PolarHBondContact N-O 3.13Å; S490-V503 PolarHBondContact O-N 3.12Å; R492-V503 HydrophobicContact CG-CG2 3.98Å |
| 504 | C | 84 | Confident | 78.2 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | trans | -78.7 | 149.6 | -176.9 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | C502 Y508 C513 | C502-C504 PolarHBondContact O-N 3.34Å; C504-Y508 VanDerWaalsContact CB-O 3.24Å; C504-Y508 WeakPolarHBondContact CB-O 3.49Å; C504-C513 WeakPolarHBondContact CA-SG 3.49Å; C504-C513 HydrophobicContact CB-CB 3.65Å; C504-C513 WeakPolarHBondContact CB-SG 3.28Å; C504-C513 PolarHBondContact N-SG 3.5Å; C504-C513 VanDerWaalsContact N-SG 3.42Å; C504-C513 WeakPolarHBondContact SG-CA 3.4Å; C504-C513 WeakPolarHBondContact SG-CB 3.45Å; C504-C513 CovalentContact SG-SG 2.04Å; C504-C513 PolarHBondContact SG-SG 3.42Å | ||
| 505 | T | 79.9 | Confident | 78.2 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | trans | -68.9 | 157.4 | 171.9 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | N487 N488 L507 Y508 | N487-T505 PolarHBondContact O-OG1 2.89Å; N488-T505 HydrophobicContact CB-CG2 4.1Å; T505-L507 PolarHBondContact O-N 3.49Å; T505-Y508 PolarHBondContact O-N 3.06Å; T505-Y508 WeakPolarHBondContact OG1-CD2 3.01Å | ||
| 506 | T | 77.5 | Confident | 78.3 | Confident | 137 Ų | 137 | 71.3 Ų | 71.3 | 84% | 0.84 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -4.3 | -165.6 | 43.8 | 0 | 0 | 0 | 0 | 117 | ||
| 507 | L | 73.5 | Confident | 78.8 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 1 | -178.4 | -63.2 | 172.5 | 0 | 0 | 0 | 113 | T505 E516 I517 P537 | T505-L507 PolarHBondContact O-N 3.49Å; L507-E516 WeakPolarHBondContact O-CA 2.98Å; L507-I517 PolarHBondContact O-N 3.43Å; L507-P537 HydrophobicContact CD1-CB 3.93Å |
| 508 | Y | 81.2 | Confident | 79.3 | Confident | 84 Ų | 84 | 70 Ų | 70 | 33% | 0.329 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.8 | -173.8 | -60.4 | -90.8 | 0 | 0 | 0 | 112.6 | N487 C504 T505 L515 | N487-Y508 HydrophobicContact CB-CD1 3.83Å; N487-Y508 HydrophobicContact CB-CD2 4.09Å; N487-Y508 HydrophobicContact CB-CE1 4.03Å; N487-Y508 HydrophobicContact CB-CE2 4.27Å; N487-Y508 HydrophobicContact CB-CG 3.85Å; N487-Y508 VanDerWaalsContact ND2-CD1 3.27Å; N487-Y508 WeakPolarHBondContact ND2-CD1 3.22Å; C504-Y508 VanDerWaalsContact CB-O 3.24Å; C504-Y508 WeakPolarHBondContact CB-O 3.49Å; T505-Y508 PolarHBondContact O-N 3.06Å; T505-Y508 WeakPolarHBondContact OG1-CD2 3.01Å; Y508-L515 CarbonylContact C-O 3.47Å; Y508-L515 WeakPolarHBondContact CA-O 3.49Å |
| 509 | T | 78.7 | Confident | 79.7 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 44% | 0.436 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | -177.9 | 179.2 | -170.7 | 0 | 0 | 0 | 0 | 110 | C513 E514 L515 I517 | T509-C513 CarbonylContact O-C 3.5Å; T509-C513 WeakPolarHBondContact O-CA 3.04Å; T509-E514 PolarHBondContact O-N 2.76Å; T509-L515 HydrophobicContact CG2-CB 3.59Å; T509-L515 HydrophobicContact CG2-CD1 4.24Å; T509-L515 PolarHBondContact N-O 2.91Å; T509-L515 WeakPolarHBondContact O-CB 3.21Å; T509-L515 PolarHBondContact O-N 3.45Å; T509-I517 HydrophobicContact CG2-CG1 4.14Å |
| 510 | G | 79.8 | Confident | 80.1 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 101.2 | 163.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N512 C513 E514 | G510-N512 PolarHBondContact O-N 2.02Å; G510-C513 PolarHBondContact O-N 3.04Å; G510-E514 WeakPolarHBondContact CA-OE1 3.46Å |
| 511 | K | 81.6 | Confident | 79.9 | Confident | 159 Ų | 159 | 70.2 Ų | 70.2 | 69% | 0.691 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.2 | -173.1 | -177.5 | 179 | 175.9 | -177 | 0 | 111.9 | C502 E514 | C502-K511 WeakPolarHBondContact CB-O 3.43Å; K511-E514 PolarHBondContact N-OE1 3.24Å; K511-E514 PolarHBondContact N-OE2 2.69Å |
| 512 | N | 87.3 | Confident | 79.4 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 24.5 | 178.5 | -63.9 | -19.6 | 0 | 0 | 0 | 110.3 | P484 A486 Y500 G510 E514 | P484-N512 VanDerWaalsContact O-CB 3.24Å; P484-N512 WeakPolarHBondContact O-CB 3.43Å; P484-N512 PolarHBondContact O-OD1 2.82Å; A486-N512 WeakPolarHBondContact CA-O 3.49Å; A486-N512 WeakPolarHBondContact CB-O 3.04Å; A486-N512 PolarHBondContact N-O 3.15Å; Y500-N512 PolarHBondContact OH-OD1 3.42Å; G510-N512 PolarHBondContact O-N 2.02Å; N512-E514 WeakPolarHBondContact CA-OE2 3.26Å; N512-E514 WeakPolarHBondContact CB-OE2 3.44Å; N512-E514 PolarHBondContact N-OE2 3.04Å; N512-E514 PolarHBondContact O-N 2.82Å |
| 513 | C | 85.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 62.4 | 34.5 | 178.6 | -50.2 | 0 | 0 | 0 | 0 | 116.1 | A486 N487 C504 T509 G510 | A486-C513 WeakPolarHBondContact O-CB 3.47Å; N487-C513 WeakPolarHBondContact CB-O 3.42Å; N487-C513 PolarHBondContact ND2-O 3.07Å; C504-C513 WeakPolarHBondContact CA-SG 3.49Å; C504-C513 HydrophobicContact CB-CB 3.65Å; C504-C513 WeakPolarHBondContact CB-SG 3.28Å; C504-C513 PolarHBondContact N-SG 3.5Å; C504-C513 VanDerWaalsContact N-SG 3.42Å; C504-C513 WeakPolarHBondContact SG-CA 3.4Å; C504-C513 WeakPolarHBondContact SG-CB 3.45Å; C504-C513 CovalentContact SG-SG 2.04Å; C504-C513 PolarHBondContact SG-SG 3.42Å; T509-C513 CarbonylContact O-C 3.5Å; T509-C513 WeakPolarHBondContact O-CA 3.04Å; G510-C513 PolarHBondContact O-N 3.04Å |
| 514 | E | 85.3 | Confident | 79.1 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | trans | -89.3 | -12.1 | -172.2 | 66.3 | -76.2 | 179 | 0 | 0 | 116.6 | T509 G510 K511 N512 | T509-E514 PolarHBondContact O-N 2.76Å; G510-E514 WeakPolarHBondContact CA-OE1 3.46Å; K511-E514 PolarHBondContact N-OE1 3.24Å; K511-E514 PolarHBondContact N-OE2 2.69Å; N512-E514 WeakPolarHBondContact CA-OE2 3.26Å; N512-E514 WeakPolarHBondContact CB-OE2 3.44Å; N512-E514 PolarHBondContact N-OE2 3.04Å; N512-E514 PolarHBondContact O-N 2.82Å | ||
| 515 | L | 75.4 | Confident | 79.3 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138 | -171.4 | -61 | 173.3 | 0 | 0 | 0 | 112.3 | Y508 T509 | Y508-L515 CarbonylContact C-O 3.47Å; Y508-L515 WeakPolarHBondContact CA-O 3.49Å; T509-L515 HydrophobicContact CG2-CB 3.59Å; T509-L515 HydrophobicContact CG2-CD1 4.24Å; T509-L515 PolarHBondContact N-O 2.91Å; T509-L515 WeakPolarHBondContact O-CB 3.21Å; T509-L515 PolarHBondContact O-N 3.45Å |
| 516 | E | 73.1 | Confident | 79.5 | Confident | 132 Ų | 132 | 78 Ų | 78 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 141.9 | 172.1 | -171.9 | -177.2 | 174.9 | 0 | 0 | 111.6 | L507 | L507-E516 WeakPolarHBondContact O-CA 2.98Å |
| 517 | I | 70.5 | Confident | 79.6 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | trans | -84.8 | 125.1 | -179.6 | -59.4 | 172.6 | 0 | 0 | 0 | 110.9 | L507 T509 P519 | L507-I517 PolarHBondContact O-N 3.43Å; T509-I517 HydrophobicContact CG2-CG1 4.14Å; I517-P519 WeakPolarHBondContact O-CD 2.99Å | ||
| 518 | D | 72.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 31% | 0.31 | 41% | 0.412 | S | S | . | . | trans | -76.5 | 115.7 | 174 | -172 | -20.1 | 0 | 0 | 0 | 111.5 | C520 L521 K533 | D518-C520 PolarHBondContact O-N 3.49Å; D518-C520 PolarHBondContact OD1-N 2.73Å; D518-L521 HydrophobicContact CB-CB 4.47Å; D518-L521 HydrophobicContact CB-CD1 3.74Å; D518-L521 HydrophobicContact CB-CG 3.84Å; D518-L521 WeakPolarHBondContact O-CB 3.39Å; D518-L521 PolarHBondContact O-N 3.36Å; D518-L521 VanDerWaalsContact O-N 3.09Å; D518-K533 WeakPolarHBondContact OD1-CE 3.14Å; D518-K533 IonicContact OD1-NZ 3.44Å; D518-K533 IonicContact OD2-NZ 2.82Å | ||
| 519 | P | 70.7 | Confident | 80.2 | Confident | 22 Ų | 22 | 76 Ų | 76 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -15.2 | -178.2 | 27.6 | -34.1 | 0 | 0 | 0 | 114 | I517 K533 E539 | I517-P519 WeakPolarHBondContact O-CD 2.99Å; P519-K533 HydrophobicContact CG-CG 4.19Å; P519-E539 WeakPolarHBondContact CG-O 3.29Å |
| 520 | C | 81.8 | Confident | 80.7 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.6 | 172.8 | -78.7 | 0 | 0 | 0 | 0 | 113.9 | D518 N522 H523 C531 | D518-C520 PolarHBondContact O-N 3.49Å; D518-C520 PolarHBondContact OD1-N 2.73Å; C520-N522 PolarHBondContact O-N 3.42Å; C520-H523 PolarHBondContact O-CD2 2.03Å; C520-C531 VanDerWaalsContact CA-SG 3.51Å; C520-C531 HydrophobicContact CB-CB 4.06Å; C520-C531 WeakPolarHBondContact CB-SG 3.3Å; C520-C531 VanDerWaalsContact SG-C 3.55Å; C520-C531 WeakPolarHBondContact SG-CB 3Å; C520-C531 CovalentContact SG-SG 2.08Å; C520-C531 PolarHBondContact SG-SG 3.25Å |
| 521 | L | 78.8 | Confident | 81.1 | Confident | 145 Ų | 145 | 76.8 Ų | 76.8 | 76% | 0.759 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -18.4 | 171.7 | -75.3 | 172.2 | 0 | 0 | 0 | 112.8 | D518 | D518-L521 HydrophobicContact CB-CB 4.47Å; D518-L521 HydrophobicContact CB-CD1 3.74Å; D518-L521 HydrophobicContact CB-CG 3.84Å; D518-L521 WeakPolarHBondContact O-CB 3.39Å; D518-L521 PolarHBondContact O-N 3.36Å; D518-L521 VanDerWaalsContact O-N 3.09Å |
| 522 | N | 74.4 | Confident | 81.4 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 81% | 0.807 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.3 | 36 | -177.2 | -119 | -0.3 | 0 | 0 | 0 | 111.8 | C520 | C520-N522 PolarHBondContact O-N 3.42Š|
| 523 | H | 82.9 | Confident | 81 | Confident | 74 Ų | 74 | 75.3 Ų | 75.3 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | trans | -67.7 | 154.5 | 178.1 | 68.7 | 65.3 | 0 | 0 | 0 | 111.6 | C520 C525 C531 Y540 | C520-H523 PolarHBondContact O-CD2 2.03Å; H523-C525 PolarHBondContact ND1-N 2.92Å; H523-C531 HydrophobicContact CB-CB 4.1Å; H523-C531 WeakPolarHBondContact CB-SG 3.32Å; H523-C531 WeakPolarHBondContact CD2-CB 3.39Å; H523-Y540 HydrophobicContact CB-CD2 3.85Å; H523-Y540 HydrophobicContact CB-CE2 3.92Å; H523-Y540 HydrophobicContact CB-CG 4.35Å | ||
| 524 | T | 86.9 | Confident | 80.5 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | trans | -104.8 | 15.5 | 175 | 62.9 | 0 | 0 | 0 | 0 | 114 | Q526 Y540 K552 | T524-Q526 WeakPolarHBondContact O-CG 3Å; T524-Q526 PolarHBondContact O-N 3.25Å; T524-Y540 PolarHBondContact N-OH 2.83Å; T524-Y540 PolarHBondContact OG1-OH 3.16Å; T524-K552 WeakPolarHBondContact O-CB 3.2Å; T524-K552 WeakPolarHBondContact OG1-CD 3.43Å; T524-K552 WeakPolarHBondContact OG1-CE 3.27Å; T524-K552 PolarHBondContact OG1-NZ 3.06Å | ||
| 525 | C | 87.6 | Confident | 79.9 | Confident | 16 Ų | 16 | 81.5 Ų | 81.5 | 11% | 0.108 | 43% | 0.433 | C | S | . | . | trans | -57.5 | 129.7 | 171.9 | -49.7 | 0 | 0 | 0 | 0 | 111 | H523 A529 C542 | H523-C525 PolarHBondContact ND1-N 2.92Å; C525-A529 HydrophobicContact CB-CB 4Å; C525-C542 WeakPolarHBondContact CA-SG 3.13Å; C525-C542 HydrophobicContact CB-CB 3.73Å; C525-C542 WeakPolarHBondContact CB-SG 3.46Å; C525-C542 VanDerWaalsContact SG-CA 3.52Å; C525-C542 WeakPolarHBondContact SG-CB 3Å; C525-C542 CovalentContact SG-SG 2.03Å; C525-C542 PolarHBondContact SG-SG 3.34Å | ||
| 526 | Q | 83.5 | Confident | 79.4 | Confident | 91 Ų | 91 | 84 Ų | 84 | 43% | 0.425 | 44% | 0.44 | S | S | . | . | trans | -108.6 | 170.4 | -178 | -55.4 | -171.4 | 3.1 | 0 | 0 | 110.3 | T524 N528 A529 K552 Q554 | T524-Q526 WeakPolarHBondContact O-CG 3Å; T524-Q526 PolarHBondContact O-N 3.25Å; Q526-N528 PolarHBondContact O-N 2.83Å; Q526-A529 WeakPolarHBondContact O-CB 3.17Å; Q526-A529 PolarHBondContact O-N 3.45Å; Q526-A529 VanDerWaalsContact O-N 3.08Å; Q526-K552 WeakPolarHBondContact CA-O 3.36Å; Q526-K552 WeakPolarHBondContact CB-O 3.18Å; Q526-K552 HydrophobicContact CG-CB 4.45Å; Q526-K552 PolarHBondContact N-O 3.14Å; Q526-Q554 HydrophobicContact CG-CB 4.34Å | ||
| 527 | N | 81.2 | Confident | 79 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 34% | 0.342 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 45.7 | 170.8 | -60.2 | -38.8 | 0 | 0 | 0 | 115 | A529 P545 F548 C553 | N527-A529 PolarHBondContact O-N 2.71Å; N527-A529 VanDerWaalsContact O-N 3.14Å; N527-P545 WeakPolarHBondContact O-CG 3.44Å; N527-F548 HydrophobicContact CB-CB 4.36Å; N527-F548 HydrophobicContact CB-CD1 3.47Å; N527-F548 VanDerWaalsContact CB-CD1 3.47Å; N527-F548 HydrophobicContact CB-CD2 3.98Å; N527-F548 HydrophobicContact CB-CE1 3.59Å; N527-F548 HydrophobicContact CB-CE2 4.1Å; N527-F548 HydrophobicContact CB-CG 3.65Å; N527-F548 HydrophobicContact CB-CZ 3.91Å; N527-F548 WeakPolarHBondContact ND2-CD1 3.33Å; N527-F548 WeakPolarHBondContact ND2-CE1 3.39Å; N527-C553 WeakPolarHBondContact CB-O 3.49Å; N527-C553 PolarHBondContact ND2-O 3.15Å |
| 528 | N | 83.8 | Confident | 78.8 | Confident | 163 Ų | 163 | 80.2 Ų | 80.2 | 87% | 0.872 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 25.7 | -178.9 | -87 | 1 | 0 | 0 | 0 | 114.5 | Q526 | Q526-N528 PolarHBondContact O-N 2.83Š|
| 529 | A | 83.2 | Confident | 78.9 | Confident | 11 Ų | 11 | 81.7 Ų | 81.7 | 9% | 0.091 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 138.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | C525 Q526 N527 C531 C542 L543 C553 | C525-A529 HydrophobicContact CB-CB 4Å; Q526-A529 WeakPolarHBondContact O-CB 3.17Å; Q526-A529 PolarHBondContact O-N 3.45Å; Q526-A529 VanDerWaalsContact O-N 3.08Å; N527-A529 PolarHBondContact O-N 2.71Å; N527-A529 VanDerWaalsContact O-N 3.14Å; A529-C531 PolarHBondContact O-N 3.09Å; A529-C542 HydrophobicContact CB-CB 4.36Å; A529-L543 VanDerWaalsContact CA-O 3.23Å; A529-L543 WeakPolarHBondContact CA-O 3.09Å; A529-L543 VanDerWaalsContact CB-O 3.3Å; A529-L543 WeakPolarHBondContact CB-O 3.42Å; A529-C553 HydrophobicContact CB-CB 3.65Å; A529-C553 WeakPolarHBondContact CB-SG 3.21Å |
| 530 | T | 88.7 | Confident | 79.5 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 53% | 0.534 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.4 | -179.6 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | L543 | T530-L543 PolarHBondContact N-O 2.91Å; T530-L543 VanDerWaalsContact N-O 3.14Å; T530-L543 PolarHBondContact O-N 3.01Å |
| 531 | C | 89.2 | Confident | 79.7 | Confident | 25 Ų | 25 | 87.6 Ų | 87.6 | 17% | 0.169 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | C520 H523 A529 L541 | C520-C531 VanDerWaalsContact CA-SG 3.51Å; C520-C531 HydrophobicContact CB-CB 4.06Å; C520-C531 WeakPolarHBondContact CB-SG 3.3Å; C520-C531 VanDerWaalsContact SG-C 3.55Å; C520-C531 WeakPolarHBondContact SG-CB 3Å; C520-C531 CovalentContact SG-SG 2.08Å; C520-C531 PolarHBondContact SG-SG 3.25Å; H523-C531 HydrophobicContact CB-CB 4.1Å; H523-C531 WeakPolarHBondContact CB-SG 3.32Å; H523-C531 WeakPolarHBondContact CD2-CB 3.39Å; A529-C531 PolarHBondContact O-N 3.09Å; C531-L541 CarbonylContact C-O 3.58Å; C531-L541 WeakPolarHBondContact CA-O 3.49Å |
| 532 | T | 87.5 | Confident | 80.2 | Confident | 53 Ų | 53 | 81.4 Ų | 81.4 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148 | 170.3 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | Y540 L541 L543 | T532-Y540 CarbonylContact O-C 3.53Å; T532-Y540 VanDerWaalsContact O-CA 3.24Å; T532-Y540 WeakPolarHBondContact O-CA 3.46Å; T532-L541 PolarHBondContact N-O 2.95Å; T532-L541 PolarHBondContact O-N 2.04Å; T532-L543 HydrophobicContact CG2-CD1 4.23Å |
| 533 | K | 79.1 | Confident | 80.8 | Confident | 130 Ų | 130 | 78.5 Ų | 78.5 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.9 | 175.6 | -68.8 | -172.7 | 179.3 | -175.5 | 0 | 110 | D518 P519 | D518-K533 WeakPolarHBondContact OD1-CE 3.14Å; D518-K533 IonicContact OD1-NZ 3.44Å; D518-K533 IonicContact OD2-NZ 2.82Å; P519-K533 HydrophobicContact CG-CG 4.19Å |
| 534 | G | 74.5 | Confident | 80.8 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | trans | -76.1 | -177.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K536 E539 | G534-K536 VanDerWaalsContact C-N 3.32Å; G534-K536 PolarHBondContact O-N 2.94Å; G534-E539 PolarHBondContact N-O 3.08Å | ||
| 535 | Q | 73.9 | Confident | 80.5 | Confident | 196 Ų | 196 | 76.8 Ų | 76.8 | 92% | 0.916 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -78.1 | -18.2 | -174.8 | -70.5 | -171.5 | -20.5 | 0 | 0 | 112.9 | E539 | Q535-E539 PolarHBondContact N-OE2 3.36Š|
| 536 | K | 64.2 | Low | 79.9 | Confident | 147 Ų | 147 | 80.9 Ų | 80.9 | 64% | 0.639 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -113.2 | 149.4 | 178.7 | -65.7 | 175.1 | -176.4 | 170.3 | 0 | 111.9 | G534 G538 E539 | G534-K536 VanDerWaalsContact C-N 3.32Å; G534-K536 PolarHBondContact O-N 2.94Å; K536-G538 PolarHBondContact O-N 2.74Å; K536-E539 HydrophobicContact CB-CB 4.36Å; K536-E539 PolarHBondContact N-OE2 3.45Å; K536-E539 WeakPolarHBondContact O-CB 3.32Å; K536-E539 PolarHBondContact O-N 2.89Å |
| 537 | P | 63.4 | Low | 79.3 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 123.2 | 170.5 | -24.1 | 33.4 | 0 | 0 | 0 | 110.8 | L507 | L507-P537 HydrophobicContact CD1-CB 3.93Š|
| 538 | G | 66.3 | Low | 79.2 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | K536 | K536-G538 PolarHBondContact O-N 2.74Š|
| 539 | E | 75.2 | Confident | 78.9 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 42% | 0.416 | 42% | 0.419 | S | S | . | . | trans | -96 | 148.9 | -179.7 | -164.2 | 177.5 | -143.4 | 0 | 0 | 112 | P519 G534 Q535 K536 | P519-E539 WeakPolarHBondContact CG-O 3.29Å; G534-E539 PolarHBondContact N-O 3.08Å; Q535-E539 PolarHBondContact N-OE2 3.36Å; K536-E539 HydrophobicContact CB-CB 4.36Å; K536-E539 PolarHBondContact N-OE2 3.45Å; K536-E539 WeakPolarHBondContact O-CB 3.32Å; K536-E539 PolarHBondContact O-N 2.89Å | ||
| 540 | Y | 83.1 | Confident | 78.6 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156 | 174.4 | 69.2 | -85.1 | 0 | 0 | 0 | 112.1 | H523 T524 T532 | H523-Y540 HydrophobicContact CB-CD2 3.85Å; H523-Y540 HydrophobicContact CB-CE2 3.92Å; H523-Y540 HydrophobicContact CB-CG 4.35Å; T524-Y540 PolarHBondContact N-OH 2.83Å; T524-Y540 PolarHBondContact OG1-OH 3.16Å; T532-Y540 CarbonylContact O-C 3.53Å; T532-Y540 VanDerWaalsContact O-CA 3.24Å; T532-Y540 WeakPolarHBondContact O-CA 3.46Å |
| 541 | L | 86.8 | Confident | 78.3 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.2 | 179.3 | 176.1 | 70.4 | 0 | 0 | 0 | 110.5 | C531 T532 L543 | C531-L541 CarbonylContact C-O 3.58Å; C531-L541 WeakPolarHBondContact CA-O 3.49Å; T532-L541 PolarHBondContact N-O 2.95Å; T532-L541 PolarHBondContact O-N 2.04Å; L541-L543 HydrophobicContact CD2-CD2 4.28Å |
| 542 | C | 88.3 | Confident | 78.2 | Confident | 15 Ų | 15 | 84.1 Ų | 84.1 | 10% | 0.101 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.5 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | C525 A529 | C525-C542 WeakPolarHBondContact CA-SG 3.13Å; C525-C542 HydrophobicContact CB-CB 3.73Å; C525-C542 WeakPolarHBondContact CB-SG 3.46Å; C525-C542 VanDerWaalsContact SG-CA 3.52Å; C525-C542 WeakPolarHBondContact SG-CB 3Å; C525-C542 CovalentContact SG-SG 2.03Å; C525-C542 PolarHBondContact SG-SG 3.34Å; A529-C542 HydrophobicContact CB-CB 4.36Å |
| 543 | L | 87.1 | Confident | 78 | Confident | 90 Ų | 90 | 81.6 Ų | 81.6 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111.1 | 175 | -61.6 | 172.4 | 0 | 0 | 0 | 110.2 | A529 T530 T532 L541 | A529-L543 VanDerWaalsContact CA-O 3.23Å; A529-L543 WeakPolarHBondContact CA-O 3.09Å; A529-L543 VanDerWaalsContact CB-O 3.3Å; A529-L543 WeakPolarHBondContact CB-O 3.42Å; T530-L543 PolarHBondContact N-O 2.91Å; T530-L543 VanDerWaalsContact N-O 3.14Å; T530-L543 PolarHBondContact O-N 3.01Å; T532-L543 HydrophobicContact CG2-CD1 4.23Å; L541-L543 HydrophobicContact CD2-CD2 4.28Å |
| 544 | C | 84 | Confident | 78.2 | Confident | 55 Ų | 55 | 79.3 Ų | 79.3 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 133 | -173.5 | -52.5 | 0 | 0 | 0 | 0 | 112.8 | G550 C553 | C544-G550 PolarHBondContact SG-O 3.09Å; C544-C553 WeakPolarHBondContact CA-SG 3.43Å; C544-C553 HydrophobicContact CB-CB 3.67Å; C544-C553 WeakPolarHBondContact CB-SG 3.36Å; C544-C553 PolarHBondContact N-SG 3.22Å; C544-C553 VanDerWaalsContact N-SG 3.37Å; C544-C553 WeakPolarHBondContact SG-CA 3.45Å; C544-C553 WeakPolarHBondContact SG-CB 3.47Å; C544-C553 CovalentContact SG-SG 2.04Å; C544-C553 PolarHBondContact SG-SG 3.2Å |
| 545 | P | 80.2 | Confident | 78.3 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 25% | 0.253 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 163.1 | 169.7 | 18.8 | -17 | 0 | 0 | 0 | 111.4 | N527 F547 F548 | N527-P545 WeakPolarHBondContact O-CG 3.44Å; P545-F547 PolarHBondContact O-N 3.26Å; P545-F548 HydrophobicContact CG-CD2 3.95Å; P545-F548 PolarHBondContact O-N 3.08Å |
| 546 | P | 75.3 | Confident | 78 | Confident | 102 Ų | 102 | 78 Ų | 78 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 143.2 | 174 | -25 | 33.9 | 0 | 0 | 0 | 111.3 | F548 | P546-F548 VanDerWaalsContact C-N 3.3Å; P546-F548 PolarHBondContact O-N 3.14Å |
| 547 | F | 71.1 | Confident | 78.2 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 8 | -179.7 | -43.1 | -81 | 0 | 0 | 0 | 116.6 | P545 V557 P577 | P545-F547 PolarHBondContact O-N 3.26Å; F547-V557 PolarHBondContact O-N 2.9Å; F547-P577 HydrophobicContact CB-CB 3.47Å; F547-P577 VanDerWaalsContact CB-CB 3.47Å; F547-P577 HydrophobicContact CD1-CB 4.05Å; F547-P577 HydrophobicContact CD2-CB 3.32Å; F547-P577 HydrophobicContact CD2-CG 4.22Å; F547-P577 HydrophobicContact CE2-CB 4.01Å; F547-P577 HydrophobicContact CG-CB 3.33Å |
| 548 | F | 78 | Confident | 78.4 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 19% | 0.189 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.1 | 171.1 | -62.5 | -81.4 | 0 | 0 | 0 | 112 | N527 P545 P546 C553 T555 E556 | N527-F548 HydrophobicContact CB-CB 4.36Å; N527-F548 HydrophobicContact CB-CD1 3.47Å; N527-F548 VanDerWaalsContact CB-CD1 3.47Å; N527-F548 HydrophobicContact CB-CD2 3.98Å; N527-F548 HydrophobicContact CB-CE1 3.59Å; N527-F548 HydrophobicContact CB-CE2 4.1Å; N527-F548 HydrophobicContact CB-CG 3.65Å; N527-F548 HydrophobicContact CB-CZ 3.91Å; N527-F548 WeakPolarHBondContact ND2-CD1 3.33Å; N527-F548 WeakPolarHBondContact ND2-CE1 3.39Å; P545-F548 HydrophobicContact CG-CD2 3.95Å; P545-F548 PolarHBondContact O-N 3.08Å; P546-F548 VanDerWaalsContact C-N 3.3Å; P546-F548 PolarHBondContact O-N 3.14Å; F548-C553 HydrophobicContact CB-CB 4.49Å; F548-T555 CarbonylContact C-O 3.54Å; F548-T555 VanDerWaalsContact CA-O 3.28Å; F548-T555 WeakPolarHBondContact CA-O 3.29Å; F548-E556 HydrophobicContact CD1-CB 4.2Å; F548-E556 HydrophobicContact CD1-CG 4.33Å; F548-E556 HydrophobicContact CE1-CB 3.97Å; F548-E556 HydrophobicContact CE1-CG 3.79Å; F548-E556 HydrophobicContact CZ-CG 4.37Å |
| 549 | T | 78.9 | Confident | 78.6 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 171.4 | -179.2 | -170.3 | 0 | 0 | 0 | 0 | 112 | C553 Q554 T555 | T549-C553 CarbonylContact O-C 3.45Å; T549-C553 VanDerWaalsContact O-C 3.3Å; T549-C553 WeakPolarHBondContact O-CA 3.17Å; T549-Q554 PolarHBondContact O-N 2.69Å; T549-T555 HydrophobicContact CG2-CG2 3.88Å; T549-T555 PolarHBondContact N-O 3.37Å; T549-T555 WeakPolarHBondContact O-CB 3.48Å; T549-T555 PolarHBondContact O-N 2.04Å |
| 550 | G | 76.1 | Confident | 78.7 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 99.7 | 162.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | C544 K552 C553 | C544-G550 PolarHBondContact SG-O 3.09Å; G550-K552 PolarHBondContact O-N 3.3Å; G550-K552 VanDerWaalsContact O-N 3.16Å; G550-C553 PolarHBondContact O-N 3.39Å |
| 551 | E | 83.3 | Confident | 78 | Confident | 177 Ų | 177 | 73.9 Ų | 73.9 | 83% | 0.827 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.9 | -179.3 | -83.9 | -168.7 | 146.9 | 0 | 0 | 114.1 | ||
| 552 | K | 85.4 | Confident | 77.3 | Confident | 78 Ų | 78 | 76 Ų | 76 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 10.6 | 178.4 | -58.6 | 177.9 | -177.6 | -158 | 0 | 111.2 | T524 Q526 G550 Q554 | T524-K552 WeakPolarHBondContact O-CB 3.2Å; T524-K552 WeakPolarHBondContact OG1-CD 3.43Å; T524-K552 WeakPolarHBondContact OG1-CE 3.27Å; T524-K552 PolarHBondContact OG1-NZ 3.06Å; Q526-K552 WeakPolarHBondContact CA-O 3.36Å; Q526-K552 WeakPolarHBondContact CB-O 3.18Å; Q526-K552 HydrophobicContact CG-CB 4.45Å; Q526-K552 PolarHBondContact N-O 3.14Å; G550-K552 PolarHBondContact O-N 3.3Å; G550-K552 VanDerWaalsContact O-N 3.16Å; K552-Q554 VanDerWaalsContact C-OE1 3.31Å; K552-Q554 VanDerWaalsContact CA-OE1 3.31Å; K552-Q554 VanDerWaalsContact CB-OE1 3.32Å; K552-Q554 PolarHBondContact O-N 3.49Å |
| 553 | C | 84.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 57 | 32 | -175.2 | -46.7 | 0 | 0 | 0 | 0 | 113.2 | N527 A529 C544 F548 T549 G550 | N527-C553 WeakPolarHBondContact CB-O 3.49Å; N527-C553 PolarHBondContact ND2-O 3.15Å; A529-C553 HydrophobicContact CB-CB 3.65Å; A529-C553 WeakPolarHBondContact CB-SG 3.21Å; C544-C553 WeakPolarHBondContact CA-SG 3.43Å; C544-C553 HydrophobicContact CB-CB 3.67Å; C544-C553 WeakPolarHBondContact CB-SG 3.36Å; C544-C553 PolarHBondContact N-SG 3.22Å; C544-C553 VanDerWaalsContact N-SG 3.37Å; C544-C553 WeakPolarHBondContact SG-CA 3.45Å; C544-C553 WeakPolarHBondContact SG-CB 3.47Å; C544-C553 CovalentContact SG-SG 2.04Å; C544-C553 PolarHBondContact SG-SG 3.2Å; F548-C553 HydrophobicContact CB-CB 4.49Å; T549-C553 CarbonylContact O-C 3.45Å; T549-C553 VanDerWaalsContact O-C 3.3Å; T549-C553 WeakPolarHBondContact O-CA 3.17Å; G550-C553 PolarHBondContact O-N 3.39Å |
| 554 | Q | 83.3 | Confident | 76.7 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 38% | 0.383 | 43% | 0.431 | S | S | . | . | trans | -79.8 | -19.6 | -173 | 68.4 | -83.3 | 13.4 | 0 | 0 | 114.6 | Q526 T549 K552 | Q526-Q554 HydrophobicContact CG-CB 4.34Å; T549-Q554 PolarHBondContact O-N 2.69Å; K552-Q554 VanDerWaalsContact C-OE1 3.31Å; K552-Q554 VanDerWaalsContact CA-OE1 3.31Å; K552-Q554 VanDerWaalsContact CB-OE1 3.32Å; K552-Q554 PolarHBondContact O-N 3.49Å | ||
| 555 | T | 76 | Confident | 76.8 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 115.1 | -169.2 | -50.6 | 0 | 0 | 0 | 0 | 109.6 | F548 T549 | F548-T555 CarbonylContact C-O 3.54Å; F548-T555 VanDerWaalsContact CA-O 3.28Å; F548-T555 WeakPolarHBondContact CA-O 3.29Å; T549-T555 HydrophobicContact CG2-CG2 3.88Å; T549-T555 PolarHBondContact N-O 3.37Å; T549-T555 WeakPolarHBondContact O-CB 3.48Å; T549-T555 PolarHBondContact O-N 2.04Å |
| 556 | E | 68.4 | Low | 76.9 | Confident | 130 Ų | 130 | 82.5 Ų | 82.5 | 61% | 0.607 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 137.7 | 171.2 | -161.6 | 170.6 | -158 | 0 | 0 | 109.8 | F548 D558 | F548-E556 HydrophobicContact CD1-CB 4.2Å; F548-E556 HydrophobicContact CD1-CG 4.33Å; F548-E556 HydrophobicContact CE1-CB 3.97Å; F548-E556 HydrophobicContact CE1-CG 3.79Å; F548-E556 HydrophobicContact CZ-CG 4.37Å; E556-D558 PolarHBondContact O-N 3.43Å |
| 557 | V | 68.4 | Low | 77.1 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 116.3 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | F547 P559 | F547-V557 PolarHBondContact O-N 2.9Å; V557-P559 WeakPolarHBondContact O-CD 3.35Å |
| 558 | D | 67.5 | Low | 77.2 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 116 | -178.5 | -177.8 | -4.9 | 0 | 0 | 0 | 112.2 | E556 C560 I561 | E556-D558 PolarHBondContact O-N 3.43Å; D558-C560 PolarHBondContact O-N 2.51Å; D558-C560 WeakPolarHBondContact OD1-CB 3.45Å; D558-C560 PolarHBondContact OD1-N 3.47Å; D558-I561 HydrophobicContact CB-CD1 3.83Å; D558-I561 HydrophobicContact CB-CG1 3.94Å |
| 559 | P | 69.4 | Low | 77.3 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 21% | 0.208 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -6.9 | 179.5 | 30.4 | -34.6 | 0 | 0 | 0 | 114.4 | V557 A573 | V557-P559 WeakPolarHBondContact O-CD 3.35Å; P559-A573 HydrophobicContact CG-CB 3.75Å |
| 560 | C | 76.9 | Confident | 77.6 | Confident | 26 Ų | 26 | 80 Ų | 80 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -2 | -179.6 | -72 | 0 | 0 | 0 | 0 | 114.5 | D558 D562 H563 C571 | D558-C560 PolarHBondContact O-N 2.51Å; D558-C560 WeakPolarHBondContact OD1-CB 3.45Å; D558-C560 PolarHBondContact OD1-N 3.47Å; C560-D562 PolarHBondContact O-N 2.9Å; C560-D562 VanDerWaalsContact O-N 3.16Å; C560-H563 PolarHBondContact O-CD2 2.74Å; C560-H563 VanDerWaalsContact O-CD2 3.25Å; C560-C571 VanDerWaalsContact CA-SG 3.56Å; C560-C571 HydrophobicContact CB-CB 3.91Å; C560-C571 WeakPolarHBondContact CB-SG 3.37Å; C560-C571 WeakPolarHBondContact SG-CB 3.02Å; C560-C571 CovalentContact SG-SG 2.06Å; C560-C571 PolarHBondContact SG-SG 3.12Å |
| 561 | I | 68.1 | Low | 78 | Confident | 143 Ų | 143 | 79.2 Ų | 79.2 | 73% | 0.733 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -3.8 | -179.9 | -68.8 | -178 | 0 | 0 | 0 | 113.8 | D558 | D558-I561 HydrophobicContact CB-CD1 3.83Å; D558-I561 HydrophobicContact CB-CG1 3.94Å |
| 562 | D | 72.3 | Confident | 78 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.2 | 48.5 | 169.9 | -170.9 | 26.7 | 0 | 0 | 0 | 112 | C560 | C560-D562 PolarHBondContact O-N 2.9Å; C560-D562 VanDerWaalsContact O-N 3.16Å |
| 563 | H | 78.4 | Confident | 77.4 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 35% | 0.352 | 41% | 0.411 | S | S | . | . | trans | -75 | 154.2 | -174.5 | 70.2 | 61.5 | 0 | 0 | 0 | 113.8 | C560 C565 C571 Y580 | C560-H563 PolarHBondContact O-CD2 2.74Å; C560-H563 VanDerWaalsContact O-CD2 3.25Å; H563-C565 PolarHBondContact ND1-N 3.39Å; H563-C571 HydrophobicContact CB-CB 3.88Å; H563-C571 WeakPolarHBondContact CB-SG 3.03Å; H563-C571 WeakPolarHBondContact CD2-CB 3.24Å; H563-Y580 HydrophobicContact CB-CD2 4.33Å; H563-Y580 HydrophobicContact CB-CE2 4.3Å | ||
| 564 | K | 84.3 | Confident | 76.4 | Confident | 139 Ų | 139 | 74.4 Ų | 74.4 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | trans | -104.6 | 21.2 | 178.8 | -56.3 | -139.5 | -178.8 | -154.9 | 0 | 115.6 | M566 R592 | K564-M566 PolarHBondContact O-N 2.81Å; K564-R592 WeakPolarHBondContact O-CD 3.05Å | ||
| 565 | C | 86.7 | Confident | 75.1 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 13% | 0.128 | 45% | 0.448 | C | S | . | . | trans | -65.2 | 127.6 | 175.3 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | H563 G569 C582 | H563-C565 PolarHBondContact ND1-N 3.39Å; C565-G569 WeakPolarHBondContact CB-O 3.39Å; C565-C582 WeakPolarHBondContact CA-SG 2.99Å; C565-C582 HydrophobicContact CB-CB 3.77Å; C565-C582 WeakPolarHBondContact CB-SG 3.16Å; C565-C582 VanDerWaalsContact SG-CA 3.53Å; C565-C582 WeakPolarHBondContact SG-CB 3.49Å; C565-C582 CovalentContact SG-SG 2.03Å; C565-C582 PolarHBondContact SG-SG 3.49Å | ||
| 566 | M | 81.8 | Confident | 74.1 | Confident | 102 Ų | 102 | 73 Ų | 73 | 50% | 0.502 | 45% | 0.445 | S | S | . | . | trans | -97.7 | 171.8 | 179 | -62.8 | -179.7 | 148.9 | 0 | 0 | 111.2 | K564 G568 G569 R592 C593 E594 | K564-M566 PolarHBondContact O-N 2.81Å; M566-G568 PolarHBondContact O-N 3.22Å; M566-G568 VanDerWaalsContact O-N 3.07Å; M566-G569 PolarHBondContact O-N 2.77Å; M566-R592 WeakPolarHBondContact CA-O 3.39Å; M566-R592 VanDerWaalsContact CB-O 3.29Å; M566-R592 WeakPolarHBondContact CB-O 3.21Å; M566-R592 PolarHBondContact N-O 2.05Å; M566-C593 WeakPolarHBondContact O-CB 3.47Å; M566-E594 HydrophobicContact SD-CB 4.15Å | ||
| 567 | N | 79.4 | Confident | 73.7 | Confident | 82 Ų | 82 | 70 Ų | 70 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36 | 172.1 | -60.4 | -35.6 | 0 | 0 | 0 | 115.1 | G569 F588 C593 | N567-G569 VanDerWaalsContact C-N 3.3Å; N567-G569 PolarHBondContact O-N 3.24Å; N567-F588 HydrophobicContact CB-CD1 3.87Å; N567-F588 HydrophobicContact CB-CD2 3.85Å; N567-F588 HydrophobicContact CB-CE1 3.92Å; N567-F588 HydrophobicContact CB-CE2 3.91Å; N567-F588 HydrophobicContact CB-CG 3.83Å; N567-F588 HydrophobicContact CB-CZ 3.94Å; N567-F588 VanDerWaalsContact ND2-CD1 3.31Å; N567-F588 WeakPolarHBondContact ND2-CD1 3.23Å; N567-F588 WeakPolarHBondContact ND2-CE1 3.08Å; N567-C593 PolarHBondContact ND2-O 3.42Å |
| 568 | G | 74.8 | Confident | 73.4 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 76% | 0.763 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 18.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M566 | M566-G568 PolarHBondContact O-N 3.22Å; M566-G568 VanDerWaalsContact O-N 3.07Å |
| 569 | G | 79.2 | Confident | 73.5 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 6% | 0.062 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -63 | 132.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C565 M566 N567 L583 | C565-G569 WeakPolarHBondContact CB-O 3.39Å; M566-G569 PolarHBondContact O-N 2.77Å; N567-G569 VanDerWaalsContact C-N 3.3Å; N567-G569 PolarHBondContact O-N 3.24Å; G569-L583 CarbonylContact C-O 3.38Å; G569-L583 VanDerWaalsContact CA-O 3.32Å; G569-L583 WeakPolarHBondContact CA-O 3.23Å |
| 570 | N | 84.3 | Confident | 74 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.5 | -176.7 | -162.9 | 13.6 | 0 | 0 | 0 | 110.3 | L583 | N570-L583 HydrophobicContact CB-CB 4.3Å; N570-L583 PolarHBondContact N-O 3.21Å; N570-L583 PolarHBondContact O-N 2.95Å |
| 571 | C | 85.8 | Confident | 74.4 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 10% | 0.101 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | C560 H563 T581 | C560-C571 VanDerWaalsContact CA-SG 3.56Å; C560-C571 HydrophobicContact CB-CB 3.91Å; C560-C571 WeakPolarHBondContact CB-SG 3.37Å; C560-C571 WeakPolarHBondContact SG-CB 3.02Å; C560-C571 CovalentContact SG-SG 2.06Å; C560-C571 PolarHBondContact SG-SG 3.12Å; H563-C571 HydrophobicContact CB-CB 3.88Å; H563-C571 WeakPolarHBondContact CB-SG 3.03Å; H563-C571 WeakPolarHBondContact CD2-CB 3.24Å; C571-T581 WeakPolarHBondContact CA-O 3.49Å |
| 572 | T | 83.6 | Confident | 75.3 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 30% | 0.301 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.4 | 171 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | A574 Y580 T581 L583 | T572-A574 PolarHBondContact O-N 2.93Å; T572-Y580 CarbonylContact O-C 3.45Å; T572-Y580 WeakPolarHBondContact O-CA 3.05Å; T572-T581 PolarHBondContact N-O 2.87Å; T572-T581 PolarHBondContact O-N 3.36Å; T572-T581 WeakPolarHBondContact OG1-CG2 3.39Å; T572-L583 HydrophobicContact CG2-CD1 3.55Å; T572-L583 HydrophobicContact CG2-CG 4.26Å |
| 573 | A | 73.1 | Confident | 75.9 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 132.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | P559 Q579 | P559-A573 HydrophobicContact CG-CB 3.75Å; A573-Q579 WeakPolarHBondContact CA-O 3.42Å |
| 574 | A | 62.7 | Low | 76.1 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | trans | -141.9 | 122.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T572 G576 Q579 | T572-A574 PolarHBondContact O-N 2.93Å; A574-G576 VanDerWaalsContact C-N 3.32Å; A574-G576 PolarHBondContact O-N 2.92Å; A574-Q579 PolarHBondContact N-O 2.94Å; A574-Q579 WeakPolarHBondContact O-CB 3.41Å; A574-Q579 PolarHBondContact O-OE1 2.86Å | ||
| 575 | G | 56.2 | Low | 75.9 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 89% | 0.887 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 82.3 | -14.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 576 | G | 55.9 | Low | 75.5 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 170.5 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A574 G578 Q579 | A574-G576 VanDerWaalsContact C-N 3.32Å; A574-G576 PolarHBondContact O-N 2.92Å; G576-G578 PolarHBondContact O-N 2.94Å; G576-Q579 PolarHBondContact O-N 2.94Å; G576-Q579 VanDerWaalsContact O-N 3.07Å |
| 577 | P | 58.4 | Low | 75.1 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 124.4 | 179.9 | -20.5 | 31.8 | 0 | 0 | 0 | 111 | F547 | F547-P577 HydrophobicContact CB-CB 3.47Å; F547-P577 VanDerWaalsContact CB-CB 3.47Å; F547-P577 HydrophobicContact CD1-CB 4.05Å; F547-P577 HydrophobicContact CD2-CB 3.32Å; F547-P577 HydrophobicContact CD2-CG 4.22Å; F547-P577 HydrophobicContact CE2-CB 4.01Å; F547-P577 HydrophobicContact CG-CB 3.33Å |
| 578 | G | 62.5 | Low | 75.2 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 0.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | G576 | G576-G578 PolarHBondContact O-N 2.94Š|
| 579 | Q | 70.1 | Confident | 75.4 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | trans | -101.7 | 139.7 | 178.8 | -70.7 | -175.9 | -9.1 | 0 | 0 | 112.5 | A573 A574 G576 | A573-Q579 WeakPolarHBondContact CA-O 3.42Å; A574-Q579 PolarHBondContact N-O 2.94Å; A574-Q579 WeakPolarHBondContact O-CB 3.41Å; A574-Q579 PolarHBondContact O-OE1 2.86Å; G576-Q579 PolarHBondContact O-N 2.94Å; G576-Q579 VanDerWaalsContact O-N 3.07Å | ||
| 580 | Y | 79.8 | Confident | 75.4 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 35% | 0.349 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.9 | 176.2 | 71.7 | -85.6 | 0 | 0 | 0 | 112 | H563 T572 | H563-Y580 HydrophobicContact CB-CD2 4.33Å; H563-Y580 HydrophobicContact CB-CE2 4.3Å; T572-Y580 CarbonylContact O-C 3.45Å; T572-Y580 WeakPolarHBondContact O-CA 3.05Å |
| 581 | T | 84.8 | Confident | 75.3 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.7 | 170.4 | -122 | 0 | 0 | 0 | 0 | 109.1 | C571 T572 L583 | C571-T581 WeakPolarHBondContact CA-O 3.49Å; T572-T581 PolarHBondContact N-O 2.87Å; T572-T581 PolarHBondContact O-N 3.36Å; T572-T581 WeakPolarHBondContact OG1-CG2 3.39Å; T581-L583 HydrophobicContact CG2-CG 4.44Å |
| 582 | C | 86.8 | Confident | 75.3 | Confident | 16 Ų | 16 | 75.5 Ų | 75.5 | 11% | 0.108 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.6 | 172.7 | -60 | 0 | 0 | 0 | 0 | 109.5 | C565 C584 | C565-C582 WeakPolarHBondContact CA-SG 2.99Å; C565-C582 HydrophobicContact CB-CB 3.77Å; C565-C582 WeakPolarHBondContact CB-SG 3.16Å; C565-C582 VanDerWaalsContact SG-CA 3.53Å; C565-C582 WeakPolarHBondContact SG-CB 3.49Å; C565-C582 CovalentContact SG-SG 2.03Å; C565-C582 PolarHBondContact SG-SG 3.49Å; C582-C584 PolarHBondContact O-N 3.09Å |
| 583 | L | 85.5 | Confident | 75.4 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 105.1 | 168.5 | -69.3 | 172 | 0 | 0 | 0 | 108.7 | G569 N570 T572 T581 | G569-L583 CarbonylContact C-O 3.38Å; G569-L583 VanDerWaalsContact CA-O 3.32Å; G569-L583 WeakPolarHBondContact CA-O 3.23Å; N570-L583 HydrophobicContact CB-CB 4.3Å; N570-L583 PolarHBondContact N-O 3.21Å; N570-L583 PolarHBondContact O-N 2.95Å; T572-L583 HydrophobicContact CG2-CD1 3.55Å; T572-L583 HydrophobicContact CG2-CG 4.26Å; T581-L583 HydrophobicContact CG2-CG 4.44Å |
| 584 | C | 82.6 | Confident | 76 | Confident | 43 Ų | 43 | 73.7 Ų | 73.7 | 29% | 0.291 | 40% | 0.404 | S | S | . | . | trans | -74.9 | 141.2 | -176.2 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | C582 F588 G590 C593 | C582-C584 PolarHBondContact O-N 3.09Å; C584-F588 HydrophobicContact CB-CB 4.48Å; C584-F588 VanDerWaalsContact CB-O 3.24Å; C584-F588 WeakPolarHBondContact CB-O 3.35Å; C584-G590 PolarHBondContact SG-O 3.4Å; C584-C593 WeakPolarHBondContact CA-SG 3.08Å; C584-C593 HydrophobicContact CB-CB 3.66Å; C584-C593 WeakPolarHBondContact CB-SG 3.02Å; C584-C593 WeakPolarHBondContact SG-CA 3.16Å; C584-C593 WeakPolarHBondContact SG-CB 3.02Å; C584-C593 CovalentContact SG-SG 2.05Å; C584-C593 PolarHBondContact SG-SG 3.46Å | ||
| 585 | H | 79.2 | Confident | 76.7 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | trans | -59.3 | 150.4 | 169.5 | -164.4 | -82.1 | 0 | 0 | 0 | 109.4 | F587 F588 | H585-F587 AromaticContact CE1-CD2 3.76Å; H585-F587 AromaticContact CE1-CE2 3.82Å; H585-F587 AromaticContact ND1-CD2 3.5Å; H585-F587 WeakPolarHBondContact ND1-CD2 3.3Å; H585-F587 PolarHBondContact O-N 3.45Å; H585-F588 HydrophobicContact CB-CD2 4.29Å; H585-F588 PolarHBondContact O-N 3.27Å | ||
| 586 | R | 78.7 | Confident | 77.5 | Confident | 193 Ų | 193 | 76.9 Ų | 76.9 | 73% | 0.728 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -4.4 | -167.6 | 75.5 | -179.4 | -147.5 | -174.3 | 4.7 | 117.2 | ||
| 587 | F | 72.9 | Confident | 78.1 | Confident | 34 Ų | 34 | 79 Ų | 79 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -0.9 | -177.6 | -51.7 | -52.8 | 0 | 0 | 0 | 113.3 | H585 I597 P617 | H585-F587 AromaticContact CE1-CD2 3.76Å; H585-F587 AromaticContact CE1-CE2 3.82Å; H585-F587 AromaticContact ND1-CD2 3.5Å; H585-F587 WeakPolarHBondContact ND1-CD2 3.3Å; H585-F587 PolarHBondContact O-N 3.45Å; F587-I597 PolarHBondContact O-N 3.35Å; F587-P617 HydrophobicContact CB-CB 3.88Å; F587-P617 VanDerWaalsContact CD1-O 3.27Å; F587-P617 WeakPolarHBondContact CD1-O 3.36Å; F587-P617 HydrophobicContact CD2-CB 4.23Å; F587-P617 WeakPolarHBondContact CD2-O 3.46Å; F587-P617 WeakPolarHBondContact CE1-O 3.47Å; F587-P617 VanDerWaalsContact CE2-O 3.31Å; F587-P617 WeakPolarHBondContact CE2-O 3.42Å; F587-P617 HydrophobicContact CG-CB 4.17Å; F587-P617 VanDerWaalsContact CG-O 3.28Å; F587-P617 WeakPolarHBondContact CG-O 3.43Å; F587-P617 WeakPolarHBondContact CZ-O 3.25Å |
| 588 | F | 81.5 | Confident | 78.7 | Confident | 40 Ų | 40 | 80 Ų | 80 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.5 | -177.5 | -60 | -84.3 | 0 | 0 | 0 | 111.4 | N567 C584 H585 C593 V595 E596 | N567-F588 HydrophobicContact CB-CD1 3.87Å; N567-F588 HydrophobicContact CB-CD2 3.85Å; N567-F588 HydrophobicContact CB-CE1 3.92Å; N567-F588 HydrophobicContact CB-CE2 3.91Å; N567-F588 HydrophobicContact CB-CG 3.83Å; N567-F588 HydrophobicContact CB-CZ 3.94Å; N567-F588 VanDerWaalsContact ND2-CD1 3.31Å; N567-F588 WeakPolarHBondContact ND2-CD1 3.23Å; N567-F588 WeakPolarHBondContact ND2-CE1 3.08Å; C584-F588 HydrophobicContact CB-CB 4.48Å; C584-F588 VanDerWaalsContact CB-O 3.24Å; C584-F588 WeakPolarHBondContact CB-O 3.35Å; H585-F588 HydrophobicContact CB-CD2 4.29Å; H585-F588 PolarHBondContact O-N 3.27Å; F588-C593 HydrophobicContact CB-CB 4.28Å; F588-V595 CarbonylContact C-O 3.31Å; F588-V595 WeakPolarHBondContact CA-O 3.39Å; F588-E596 HydrophobicContact CD1-CB 4.36Å; F588-E596 HydrophobicContact CE1-CB 4.29Å; F588-E596 HydrophobicContact CE1-CG 4.43Å |
| 589 | T | 79.7 | Confident | 78.9 | Confident | 73 Ų | 73 | 79 Ų | 79 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 178.4 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | C593 E594 V595 I597 | T589-C593 CarbonylContact O-C 3.22Å; T589-C593 WeakPolarHBondContact O-CA 3.12Å; T589-E594 PolarHBondContact O-N 2.91Å; T589-E594 VanDerWaalsContact O-N 3.16Å; T589-V595 HydrophobicContact CG2-CB 3.6Å; T589-V595 HydrophobicContact CG2-CG1 3.67Å; T589-V595 PolarHBondContact N-O 2.97Å; T589-V595 WeakPolarHBondContact O-CB 3.46Å; T589-V595 PolarHBondContact O-N 3.25Å; T589-I597 HydrophobicContact CG2-CG1 4.07Å |
| 590 | G | 80.2 | Confident | 79.2 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 98.5 | 166 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | C584 R592 C593 | C584-G590 PolarHBondContact SG-O 3.4Å; G590-R592 PolarHBondContact O-N 3.4Å; G590-C593 PolarHBondContact O-N 2.95Å |
| 591 | K | 81.3 | Confident | 78.7 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 83% | 0.83 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -20.5 | -173.6 | -73.3 | -171.1 | 177.1 | -175.4 | 0 | 113.4 | E594 | K591-E594 PolarHBondContact N-OE2 3.07Š|
| 592 | R | 86.1 | Confident | 77.8 | Confident | 119 Ų | 119 | 77.8 Ų | 77.8 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 17.5 | 175.7 | -62.6 | -174.7 | -61 | -117.7 | -2.5 | 111.3 | K564 M566 G590 E594 | K564-R592 WeakPolarHBondContact O-CD 3.05Å; M566-R592 WeakPolarHBondContact CA-O 3.39Å; M566-R592 VanDerWaalsContact CB-O 3.29Å; M566-R592 WeakPolarHBondContact CB-O 3.21Å; M566-R592 PolarHBondContact N-O 2.05Å; G590-R592 PolarHBondContact O-N 3.4Å; R592-E594 VanDerWaalsContact C-N 3.33Å; R592-E594 VanDerWaalsContact CA-OE2 3.25Å; R592-E594 WeakPolarHBondContact CA-OE2 3.31Å; R592-E594 WeakPolarHBondContact CB-OE2 3.32Å; R592-E594 PolarHBondContact N-OE2 2.81Å; R592-E594 PolarHBondContact O-N 2.76Å |
| 593 | C | 85.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 62.7 | 35.1 | -178.8 | -45.1 | 0 | 0 | 0 | 0 | 114.4 | M566 N567 C584 F588 T589 G590 | M566-C593 WeakPolarHBondContact O-CB 3.47Å; N567-C593 PolarHBondContact ND2-O 3.42Å; C584-C593 WeakPolarHBondContact CA-SG 3.08Å; C584-C593 HydrophobicContact CB-CB 3.66Å; C584-C593 WeakPolarHBondContact CB-SG 3.02Å; C584-C593 WeakPolarHBondContact SG-CA 3.16Å; C584-C593 WeakPolarHBondContact SG-CB 3.02Å; C584-C593 CovalentContact SG-SG 2.05Å; C584-C593 PolarHBondContact SG-SG 3.46Å; F588-C593 HydrophobicContact CB-CB 4.28Å; T589-C593 CarbonylContact O-C 3.22Å; T589-C593 WeakPolarHBondContact O-CA 3.12Å; G590-C593 PolarHBondContact O-N 2.95Å |
| 594 | E | 84.6 | Confident | 76 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | trans | -88.2 | -14.8 | -173.5 | 68.4 | -82.9 | -160.9 | 0 | 0 | 115.2 | M566 T589 K591 R592 | M566-E594 HydrophobicContact SD-CB 4.15Å; T589-E594 PolarHBondContact O-N 2.91Å; T589-E594 VanDerWaalsContact O-N 3.16Å; K591-E594 PolarHBondContact N-OE2 3.07Å; R592-E594 VanDerWaalsContact C-N 3.33Å; R592-E594 VanDerWaalsContact CA-OE2 3.25Å; R592-E594 WeakPolarHBondContact CA-OE2 3.31Å; R592-E594 WeakPolarHBondContact CB-OE2 3.32Å; R592-E594 PolarHBondContact N-OE2 2.81Å; R592-E594 PolarHBondContact O-N 2.76Å | ||
| 595 | V | 79.1 | Confident | 75.9 | Confident | 71 Ų | 71 | 83.9 Ų | 83.9 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126 | -174 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | F588 T589 | F588-V595 CarbonylContact C-O 3.31Å; F588-V595 WeakPolarHBondContact CA-O 3.39Å; T589-V595 HydrophobicContact CG2-CB 3.6Å; T589-V595 HydrophobicContact CG2-CG1 3.67Å; T589-V595 PolarHBondContact N-O 2.97Å; T589-V595 WeakPolarHBondContact O-CB 3.46Å; T589-V595 PolarHBondContact O-N 3.25Å |
| 596 | E | 71.7 | Confident | 76.1 | Confident | 116 Ų | 116 | 81.6 Ų | 81.6 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 138.1 | 172.7 | -170.5 | 175.2 | -173.6 | 0 | 0 | 111 | F588 | F588-E596 HydrophobicContact CD1-CB 4.36Å; F588-E596 HydrophobicContact CE1-CB 4.29Å; F588-E596 HydrophobicContact CE1-CG 4.43Å |
| 597 | I | 69.9 | Low | 76 | Confident | 79 Ų | 79 | 76 Ų | 76 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | trans | -86 | 126.5 | 179.8 | -60.8 | 172.7 | 0 | 0 | 0 | 109.7 | F587 T589 P599 | F587-I597 PolarHBondContact O-N 3.35Å; T589-I597 HydrophobicContact CG2-CG1 4.07Å; I597-P599 WeakPolarHBondContact O-CD 2.99Å | ||
| 598 | D | 69.3 | Low | 76.2 | Confident | 87 Ų | 87 | 77.1 Ų | 77.1 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | trans | -64.2 | 115.7 | 174.9 | -178 | -13.8 | 0 | 0 | 0 | 110.8 | C600 I601 | D598-C600 PolarHBondContact O-N 3.28Å; D598-C600 PolarHBondContact OD1-N 3.49Å; D598-I601 HydrophobicContact CB-CD1 3.88Å; D598-I601 HydrophobicContact CB-CG1 3.99Å; D598-I601 PolarHBondContact O-N 2.84Å | ||
| 599 | P | 68.5 | Low | 76.1 | Confident | 20 Ų | 20 | 76 Ų | 76 | 13% | 0.13 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7.1 | -175.6 | 30 | -35.2 | 0 | 0 | 0 | 114.6 | I597 H603 A613 E619 | I597-P599 WeakPolarHBondContact O-CD 2.99Å; P599-H603 PolarHBondContact O-CD2 3.13Å; P599-H603 VanDerWaalsContact O-CD2 3.3Å; P599-A613 HydrophobicContact CG-CB 3.9Å; P599-E619 WeakPolarHBondContact CG-O 3.31Å |
| 600 | C | 75.8 | Confident | 76.4 | Confident | 34 Ų | 34 | 76 Ų | 76 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -6.6 | 178 | -77.1 | 0 | 0 | 0 | 0 | 114.2 | D598 G602 C611 | D598-C600 PolarHBondContact O-N 3.28Å; D598-C600 PolarHBondContact OD1-N 3.49Å; C600-G602 PolarHBondContact O-N 3.42Å; C600-C611 VanDerWaalsContact CA-SG 3.53Å; C600-C611 HydrophobicContact CB-CB 4.04Å; C600-C611 WeakPolarHBondContact CB-SG 3.38Å; C600-C611 VanDerWaalsContact SG-C 3.55Å; C600-C611 WeakPolarHBondContact SG-CB 3.28Å; C600-C611 CovalentContact SG-SG 2.07Å; C600-C611 PolarHBondContact SG-SG 3.31Å |
| 601 | I | 69.1 | Low | 76.6 | Confident | 136 Ų | 136 | 76.6 Ų | 76.6 | 70% | 0.697 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 112.8 | 178.2 | -62.1 | -179.1 | 0 | 0 | 0 | 109.9 | D598 | D598-I601 HydrophobicContact CB-CD1 3.88Å; D598-I601 HydrophobicContact CB-CG1 3.99Å; D598-I601 PolarHBondContact O-N 2.84Å |
| 602 | G | 65.2 | Low | 76.7 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 76% | 0.763 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | 8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | C600 | C600-G602 PolarHBondContact O-N 3.42Š|
| 603 | H | 64.5 | Low | 76.2 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | trans | -109.3 | 125.1 | 176 | -70.8 | 3.6 | 0 | 0 | 0 | 110.2 | P599 Y620 | P599-H603 PolarHBondContact O-CD2 3.13Å; P599-H603 VanDerWaalsContact O-CD2 3.3Å; H603-Y620 HydrophobicContact CB-CD2 4.46Å; H603-Y620 HydrophobicContact CB-CE2 4.18Å; H603-Y620 AromaticContact CD2-CD1 3.38Å; H603-Y620 WeakPolarHBondContact CD2-CD1 3.35Å; H603-Y620 AromaticContact CD2-CE1 3.1Å; H603-Y620 WeakPolarHBondContact CD2-CE1 3.27Å; H603-Y620 AromaticContact CD2-CZ 3.55Å; H603-Y620 AromaticContact NE2-CE1 3.72Å | ||
| 604 | Q | 70 | Confident | 75.3 | Confident | 171 Ų | 171 | 75 Ų | 75 | 80% | 0.799 | 44% | 0.44 | S | S | * | . | trans | -108.2 | 112.5 | -179.3 | -69.5 | -174.1 | 3.8 | 0 | 0 | 109.8 | ||||
| 605 | C | 82.1 | Confident | 74.4 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 14% | 0.142 | 46% | 0.46 | C | S | . | . | trans | -68.7 | 130.6 | 159.4 | -53.4 | 0 | 0 | 0 | 0 | 108 | G609 C622 | C605-G609 VanDerWaalsContact CB-O 3.28Å; C605-G609 WeakPolarHBondContact CB-O 3.42Å; C605-C622 VanDerWaalsContact CA-SG 3.54Å; C605-C622 HydrophobicContact CB-CB 3.72Å; C605-C622 WeakPolarHBondContact CB-SG 2.99Å; C605-C622 VanDerWaalsContact SG-CA 3.51Å; C605-C622 WeakPolarHBondContact SG-CB 3.21Å; C605-C622 CovalentContact SG-SG 2.03Å; C605-C622 PolarHBondContact SG-SG 2.95Å | ||
| 606 | T | 82.1 | Confident | 73.5 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 34% | 0.337 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -81.2 | 172.3 | 177.8 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | G608 G609 L632 C633 E634 | T606-G608 VanDerWaalsContact C-N 3.27Å; T606-G608 PolarHBondContact O-N 2.75Å; T606-G609 PolarHBondContact O-N 2.78Å; T606-L632 WeakPolarHBondContact CA-O 3.36Å; T606-L632 WeakPolarHBondContact CB-O 3.12Å; T606-L632 PolarHBondContact N-O 3.27Å; T606-L632 PolarHBondContact OG1-O 2.94Å; T606-C633 WeakPolarHBondContact O-CB 3.41Å; T606-C633 VanDerWaalsContact OG1-C 3.24Å; T606-C633 PolarHBondContact OG1-O 3.18Å; T606-E634 WeakPolarHBondContact OG1-CA 3.28Å; T606-E634 PolarHBondContact OG1-N 3.2Å |
| 607 | N | 77.4 | Confident | 72.9 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 40% | 0.401 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39.8 | 173.2 | -59.2 | -36.7 | 0 | 0 | 0 | 115.8 | G609 F628 C633 | N607-G609 PolarHBondContact O-N 3.16Å; N607-F628 HydrophobicContact CB-CB 4.3Å; N607-F628 HydrophobicContact CB-CD1 3.71Å; N607-F628 HydrophobicContact CB-CD2 3.72Å; N607-F628 HydrophobicContact CB-CE1 3.89Å; N607-F628 HydrophobicContact CB-CE2 3.91Å; N607-F628 HydrophobicContact CB-CG 3.62Å; N607-F628 HydrophobicContact CB-CZ 4Å; N607-F628 VanDerWaalsContact ND2-CD1 3.33Å; N607-F628 WeakPolarHBondContact ND2-CD1 3.35Å; N607-C633 WeakPolarHBondContact CB-O 3.25Å; N607-C633 PolarHBondContact ND2-O 2.79Å |
| 608 | G | 76.4 | Confident | 72.5 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 7.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T606 | T606-G608 VanDerWaalsContact C-N 3.27Å; T606-G608 PolarHBondContact O-N 2.75Å |
| 609 | G | 79.9 | Confident | 72.6 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 16% | 0.155 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 145.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | C605 T606 N607 L623 | C605-G609 VanDerWaalsContact CB-O 3.28Å; C605-G609 WeakPolarHBondContact CB-O 3.42Å; T606-G609 PolarHBondContact O-N 2.78Å; N607-G609 PolarHBondContact O-N 3.16Å; G609-L623 CarbonylContact C-O 3.58Å; G609-L623 WeakPolarHBondContact CA-O 2.99Å |
| 610 | S | 85.3 | Confident | 73 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.2 | 177.7 | -68.9 | 0 | 0 | 0 | 0 | 112.4 | L623 | S610-L623 PolarHBondContact N-O 2.03Å; S610-L623 PolarHBondContact O-N 3.26Å |
| 611 | C | 85.1 | Confident | 73.2 | Confident | 41 Ų | 41 | 74 Ų | 74 | 28% | 0.277 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.8 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | C600 I621 | C600-C611 VanDerWaalsContact CA-SG 3.53Å; C600-C611 HydrophobicContact CB-CB 4.04Å; C600-C611 WeakPolarHBondContact CB-SG 3.38Å; C600-C611 VanDerWaalsContact SG-C 3.55Å; C600-C611 WeakPolarHBondContact SG-CB 3.28Å; C600-C611 CovalentContact SG-SG 2.07Å; C600-C611 PolarHBondContact SG-SG 3.31Å; C611-I621 WeakPolarHBondContact CA-O 3.49Å |
| 612 | R | 84 | Confident | 74 | Confident | 165 Ų | 165 | 68.2 Ų | 68.2 | 62% | 0.623 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 150 | 168.7 | -60.6 | -171.6 | 75.6 | -171.9 | 2.1 | 111.4 | Y620 I621 L623 | R612-Y620 CarbonylContact O-C 3.56Å; R612-Y620 VanDerWaalsContact O-CA 3.27Å; R612-Y620 WeakPolarHBondContact O-CA 3.38Å; R612-I621 HydrophobicContact CB-CG2 4.01Å; R612-I621 PolarHBondContact N-O 2.04Å; R612-I621 WeakPolarHBondContact O-CG2 3.34Å; R612-I621 PolarHBondContact O-N 2.7Å; R612-L623 HydrophobicContact CG-CD1 4.15Å |
| 613 | A | 73.8 | Confident | 74.9 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | P599 G615 | P599-A613 HydrophobicContact CG-CB 3.9Å; A613-G615 VanDerWaalsContact C-N 3.32Å; A613-G615 PolarHBondContact O-N 3.25Å |
| 614 | A | 67.8 | Low | 75.7 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | trans | -86.4 | 5.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I616 E619 | A614-I616 VanDerWaalsContact C-N 3.31Å; A614-E619 HydrophobicContact CB-CB 3.76Å; A614-E619 PolarHBondContact N-O 2.8Å | ||
| 615 | G | 65.9 | Low | 76.1 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 79% | 0.794 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 84.8 | -2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A613 | A613-G615 VanDerWaalsContact C-N 3.32Å; A613-G615 PolarHBondContact O-N 3.25Å |
| 616 | I | 59.9 | Low | 75.6 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -115.1 | 133.9 | 172.8 | -60.6 | 166 | 0 | 0 | 0 | 107.9 | A614 G618 E619 | A614-I616 VanDerWaalsContact C-N 3.31Å; I616-G618 PolarHBondContact O-N 3.19Å; I616-G618 VanDerWaalsContact O-N 3.16Å; I616-E619 HydrophobicContact CB-CB 4.36Å; I616-E619 HydrophobicContact CB-CG 4.44Å; I616-E619 WeakPolarHBondContact CD1-OE2 3.25Å; I616-E619 PolarHBondContact O-N 3.46Å |
| 617 | P | 59.8 | Low | 75 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 31% | 0.305 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 121.7 | -179.3 | -28.3 | 35.2 | 0 | 0 | 0 | 112 | F587 | F587-P617 HydrophobicContact CB-CB 3.88Å; F587-P617 VanDerWaalsContact CD1-O 3.27Å; F587-P617 WeakPolarHBondContact CD1-O 3.36Å; F587-P617 HydrophobicContact CD2-CB 4.23Å; F587-P617 WeakPolarHBondContact CD2-O 3.46Å; F587-P617 WeakPolarHBondContact CE1-O 3.47Å; F587-P617 VanDerWaalsContact CE2-O 3.31Å; F587-P617 WeakPolarHBondContact CE2-O 3.42Å; F587-P617 HydrophobicContact CG-CB 4.17Å; F587-P617 VanDerWaalsContact CG-O 3.28Å; F587-P617 WeakPolarHBondContact CG-O 3.43Å; F587-P617 WeakPolarHBondContact CZ-O 3.25Å |
| 618 | G | 61.8 | Low | 75.1 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 25% | 0.247 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 10.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | I616 | I616-G618 PolarHBondContact O-N 3.19Å; I616-G618 VanDerWaalsContact O-N 3.16Å |
| 619 | E | 70.1 | Confident | 74.9 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | trans | -101.2 | 139.8 | 168 | -75.6 | -166.2 | 161.6 | 0 | 0 | 112.4 | P599 A614 I616 | P599-E619 WeakPolarHBondContact CG-O 3.31Å; A614-E619 HydrophobicContact CB-CB 3.76Å; A614-E619 PolarHBondContact N-O 2.8Å; I616-E619 HydrophobicContact CB-CB 4.36Å; I616-E619 HydrophobicContact CB-CG 4.44Å; I616-E619 WeakPolarHBondContact CD1-OE2 3.25Å; I616-E619 PolarHBondContact O-N 3.46Å | ||
| 620 | Y | 76.2 | Confident | 74.4 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 17% | 0.169 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.2 | 174.1 | 71.5 | -74.4 | 0 | 0 | 0 | 110.6 | H603 R612 L632 | H603-Y620 HydrophobicContact CB-CD2 4.46Å; H603-Y620 HydrophobicContact CB-CE2 4.18Å; H603-Y620 AromaticContact CD2-CD1 3.38Å; H603-Y620 WeakPolarHBondContact CD2-CD1 3.35Å; H603-Y620 AromaticContact CD2-CE1 3.1Å; H603-Y620 WeakPolarHBondContact CD2-CE1 3.27Å; H603-Y620 AromaticContact CD2-CZ 3.55Å; H603-Y620 AromaticContact NE2-CE1 3.72Å; R612-Y620 CarbonylContact O-C 3.56Å; R612-Y620 VanDerWaalsContact O-CA 3.27Å; R612-Y620 WeakPolarHBondContact O-CA 3.38Å; Y620-L632 HydrophobicContact CE2-CD2 4.04Å; Y620-L632 VanDerWaalsContact OH-CD2 3.31Å; Y620-L632 WeakPolarHBondContact OH-CD2 3.35Å |
| 621 | I | 82 | Confident | 74.2 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 45% | 0.451 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.3 | 173.4 | -171.8 | 167.5 | 0 | 0 | 0 | 109.6 | C611 R612 | C611-I621 WeakPolarHBondContact CA-O 3.49Å; R612-I621 HydrophobicContact CB-CG2 4.01Å; R612-I621 PolarHBondContact N-O 2.04Å; R612-I621 WeakPolarHBondContact O-CG2 3.34Å; R612-I621 PolarHBondContact O-N 2.7Å |
| 622 | C | 84.4 | Confident | 74.1 | Confident | 13 Ų | 13 | 77.2 Ų | 77.2 | 9% | 0.088 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.4 | 170.6 | -71 | 0 | 0 | 0 | 0 | 109.8 | C605 R631 | C605-C622 VanDerWaalsContact CA-SG 3.54Å; C605-C622 HydrophobicContact CB-CB 3.72Å; C605-C622 WeakPolarHBondContact CB-SG 2.99Å; C605-C622 VanDerWaalsContact SG-CA 3.51Å; C605-C622 WeakPolarHBondContact SG-CB 3.21Å; C605-C622 CovalentContact SG-SG 2.03Å; C605-C622 PolarHBondContact SG-SG 2.95Å; C622-R631 WeakPolarHBondContact CB-O 3.4Å |
| 623 | L | 84 | Confident | 74.1 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 107.1 | 172.8 | -60.5 | 176.8 | 0 | 0 | 0 | 108.9 | G609 S610 R612 | G609-L623 CarbonylContact C-O 3.58Å; G609-L623 WeakPolarHBondContact CA-O 2.99Å; S610-L623 PolarHBondContact N-O 2.03Å; S610-L623 PolarHBondContact O-N 3.26Å; R612-L623 HydrophobicContact CG-CD1 4.15Å |
| 624 | C | 80.9 | Confident | 74.5 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 139.3 | -173.9 | -51.4 | 0 | 0 | 0 | 0 | 112.9 | F628 C633 | C624-F628 HydrophobicContact CB-CB 4.45Å; C624-F628 VanDerWaalsContact CB-O 3.3Å; C624-F628 WeakPolarHBondContact CB-O 3.02Å; C624-C633 WeakPolarHBondContact CA-SG 3.41Å; C624-C633 HydrophobicContact CB-CB 3.69Å; C624-C633 WeakPolarHBondContact CB-SG 3.31Å; C624-C633 WeakPolarHBondContact SG-CA 3.31Å; C624-C633 WeakPolarHBondContact SG-CB 3.47Å; C624-C633 CovalentContact SG-SG 2.04Å; C624-C633 PolarHBondContact SG-SG 2.72Å |
| 625 | E | 80.4 | Confident | 74.5 | Confident | 131 Ų | 131 | 71 Ų | 71 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 140 | 173 | -156.3 | 168.6 | -171.7 | 0 | 0 | 109.5 | F628 | E625-F628 WeakPolarHBondContact O-CB 2.98Å; E625-F628 WeakPolarHBondContact O-CD2 3.38Å; E625-F628 PolarHBondContact O-N 3.16Å |
| 626 | H | 70.9 | Confident | 74.5 | Confident | 164 Ų | 164 | 73.5 Ų | 73.5 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 137 | 178.9 | -86.7 | 29.8 | 0 | 0 | 0 | 110.8 | ||
| 627 | P | 70.3 | Confident | 74.7 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -104.1 | 41.1 | 11.6 | 40.6 | -33.5 | 0 | 0 | 0 | 113.8 | E636 I637 | P627-E636 HydrophobicContact CG-CG 4.41Å; P627-I637 WeakPolarHBondContact O-CG1 3.4Å; P627-I637 PolarHBondContact O-N 2.06Å |
| 628 | F | 77.5 | Confident | 75 | Confident | 59 Ų | 59 | 74 Ų | 74 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 144.6 | 180 | -56.8 | -77.1 | 0 | 0 | 0 | 112.7 | N607 C624 E625 C633 A635 | N607-F628 HydrophobicContact CB-CB 4.3Å; N607-F628 HydrophobicContact CB-CD1 3.71Å; N607-F628 HydrophobicContact CB-CD2 3.72Å; N607-F628 HydrophobicContact CB-CE1 3.89Å; N607-F628 HydrophobicContact CB-CE2 3.91Å; N607-F628 HydrophobicContact CB-CG 3.62Å; N607-F628 HydrophobicContact CB-CZ 4Å; N607-F628 VanDerWaalsContact ND2-CD1 3.33Å; N607-F628 WeakPolarHBondContact ND2-CD1 3.35Å; C624-F628 HydrophobicContact CB-CB 4.45Å; C624-F628 VanDerWaalsContact CB-O 3.3Å; C624-F628 WeakPolarHBondContact CB-O 3.02Å; E625-F628 WeakPolarHBondContact O-CB 2.98Å; E625-F628 WeakPolarHBondContact O-CD2 3.38Å; E625-F628 PolarHBondContact O-N 3.16Å; F628-C633 HydrophobicContact CB-CB 4.37Å; F628-A635 CarbonylContact C-O 3.52Å; F628-A635 WeakPolarHBondContact CA-O 3.34Å |
| 629 | T | 73.1 | Confident | 75.4 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -179.7 | 177 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | C633 E634 A635 I637 | T629-C633 CarbonylContact O-C 3.47Å; T629-C633 VanDerWaalsContact O-C 3.28Å; T629-C633 VanDerWaalsContact O-CA 3.31Å; T629-C633 WeakPolarHBondContact O-CA 3.42Å; T629-E634 PolarHBondContact O-N 2.94Å; T629-A635 HydrophobicContact CG2-CB 3.89Å; T629-A635 PolarHBondContact N-O 3.41Å; T629-A635 PolarHBondContact O-N 3.46Å; T629-I637 HydrophobicContact CG2-CG1 4Å |
| 630 | G | 69.9 | Low | 75.7 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 32% | 0.32 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 97.4 | 165.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L632 C633 | G630-L632 VanDerWaalsContact C-N 3.26Å; G630-L632 PolarHBondContact O-N 2.83Å; G630-C633 PolarHBondContact O-N 3.15Å |
| 631 | R | 79.9 | Confident | 75.3 | Confident | 182 Ų | 182 | 75.8 Ų | 75.8 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -27.6 | -172.2 | -177.4 | 178.1 | 168.9 | -175.6 | -1.4 | 112.2 | C622 E634 | C622-R631 WeakPolarHBondContact CB-O 3.4Å; R631-E634 PolarHBondContact N-OE2 3.25Å |
| 632 | L | 83.6 | Confident | 74.6 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 13.8 | 176.3 | -62 | 175 | 0 | 0 | 0 | 111.5 | T606 Y620 G630 E634 | T606-L632 WeakPolarHBondContact CA-O 3.36Å; T606-L632 WeakPolarHBondContact CB-O 3.12Å; T606-L632 PolarHBondContact N-O 3.27Å; T606-L632 PolarHBondContact OG1-O 2.94Å; Y620-L632 HydrophobicContact CE2-CD2 4.04Å; Y620-L632 VanDerWaalsContact OH-CD2 3.31Å; Y620-L632 WeakPolarHBondContact OH-CD2 3.35Å; G630-L632 VanDerWaalsContact C-N 3.26Å; G630-L632 PolarHBondContact O-N 2.83Å; L632-E634 WeakPolarHBondContact CA-OE2 3.02Å; L632-E634 WeakPolarHBondContact CB-OE2 3.33Å; L632-E634 PolarHBondContact N-OE2 3.07Å; L632-E634 PolarHBondContact O-N 3.37Å |
| 633 | C | 83.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 60.6 | 28.3 | -173.9 | -47.4 | 0 | 0 | 0 | 0 | 114.2 | T606 N607 C624 F628 T629 G630 | T606-C633 WeakPolarHBondContact O-CB 3.41Å; T606-C633 VanDerWaalsContact OG1-C 3.24Å; T606-C633 PolarHBondContact OG1-O 3.18Å; N607-C633 WeakPolarHBondContact CB-O 3.25Å; N607-C633 PolarHBondContact ND2-O 2.79Å; C624-C633 WeakPolarHBondContact CA-SG 3.41Å; C624-C633 HydrophobicContact CB-CB 3.69Å; C624-C633 WeakPolarHBondContact CB-SG 3.31Å; C624-C633 WeakPolarHBondContact SG-CA 3.31Å; C624-C633 WeakPolarHBondContact SG-CB 3.47Å; C624-C633 CovalentContact SG-SG 2.04Å; C624-C633 PolarHBondContact SG-SG 2.72Å; F628-C633 HydrophobicContact CB-CB 4.37Å; T629-C633 CarbonylContact O-C 3.47Å; T629-C633 VanDerWaalsContact O-C 3.28Å; T629-C633 VanDerWaalsContact O-CA 3.31Å; T629-C633 WeakPolarHBondContact O-CA 3.42Å; G630-C633 PolarHBondContact O-N 3.15Å |
| 634 | E | 81.9 | Confident | 74.3 | Confident | 106 Ų | 106 | 79.5 Ų | 79.5 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | trans | -83 | -17.8 | -172.5 | 69.6 | -84 | -154.2 | 0 | 0 | 114.2 | T606 T629 R631 L632 | T606-E634 WeakPolarHBondContact OG1-CA 3.28Å; T606-E634 PolarHBondContact OG1-N 3.2Å; T629-E634 PolarHBondContact O-N 2.94Å; R631-E634 PolarHBondContact N-OE2 3.25Å; L632-E634 WeakPolarHBondContact CA-OE2 3.02Å; L632-E634 WeakPolarHBondContact CB-OE2 3.33Å; L632-E634 PolarHBondContact N-OE2 3.07Å; L632-E634 PolarHBondContact O-N 3.37Å | ||
| 635 | A | 67.9 | Low | 74.6 | Confident | 40 Ų | 40 | 78.1 Ų | 78.1 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F628 T629 | F628-A635 CarbonylContact C-O 3.52Å; F628-A635 WeakPolarHBondContact CA-O 3.34Å; T629-A635 HydrophobicContact CG2-CB 3.89Å; T629-A635 PolarHBondContact N-O 3.41Å; T629-A635 PolarHBondContact O-N 3.46Å |
| 636 | E | 67.2 | Low | 74.5 | Confident | 131 Ų | 131 | 76.6 Ų | 76.6 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 140.8 | 167.1 | -166.5 | 172.4 | -174.1 | 0 | 0 | 109.3 | P627 D638 | P627-E636 HydrophobicContact CG-CG 4.41Å; E636-D638 PolarHBondContact O-N 2.82Å; E636-D638 VanDerWaalsContact O-N 3.16Å |
| 637 | I | 64 | Low | 74.8 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | trans | -66.1 | 113.8 | 179.5 | -65.8 | 166.2 | 0 | 0 | 0 | 109.5 | P627 T629 P639 | P627-I637 WeakPolarHBondContact O-CG1 3.4Å; P627-I637 PolarHBondContact O-N 2.06Å; T629-I637 HydrophobicContact CG2-CG1 4Å; I637-P639 WeakPolarHBondContact O-CD 3.39Å | ||
| 638 | D | 65.4 | Low | 74.9 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | trans | -69.1 | 113.8 | 169.8 | 179 | -6.4 | 0 | 0 | 0 | 109.6 | E636 C640 I641 | E636-D638 PolarHBondContact O-N 2.82Å; E636-D638 VanDerWaalsContact O-N 3.16Å; D638-C640 PolarHBondContact O-N 2.76Å; D638-C640 VanDerWaalsContact O-N 3.08Å; D638-C640 WeakPolarHBondContact OD1-CB 3.21Å; D638-C640 PolarHBondContact OD1-N 3.28Å; D638-I641 HydrophobicContact CB-CD1 3.9Å; D638-I641 HydrophobicContact CB-CG1 3.89Å; D638-I641 PolarHBondContact O-N 3.28Å | ||
| 639 | P | 69.5 | Low | 75.1 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.7 | -178.3 | 28.5 | -35.1 | 0 | 0 | 0 | 113.3 | I637 A653 | I637-P639 WeakPolarHBondContact O-CD 3.39Å; P639-A653 HydrophobicContact CG-CB 3.77Å |
| 640 | C | 76.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -11.1 | 174.1 | -72.9 | 0 | 0 | 0 | 0 | 114.1 | D638 G642 H643 C651 | D638-C640 PolarHBondContact O-N 2.76Å; D638-C640 VanDerWaalsContact O-N 3.08Å; D638-C640 WeakPolarHBondContact OD1-CB 3.21Å; D638-C640 PolarHBondContact OD1-N 3.28Å; C640-G642 PolarHBondContact O-N 3.48Å; C640-H643 PolarHBondContact O-CD2 3.12Å; C640-H643 PolarHBondContact O-N 2.03Å; C640-C651 WeakPolarHBondContact CA-SG 3.2Å; C640-C651 HydrophobicContact CB-CB 3.79Å; C640-C651 WeakPolarHBondContact CB-SG 3.47Å; C640-C651 WeakPolarHBondContact SG-CB 3.48Å; C640-C651 CovalentContact SG-SG 2.06Å; C640-C651 PolarHBondContact SG-SG 2.77Å |
| 641 | I | 67.7 | Low | 76.4 | Confident | 141 Ų | 141 | 73 Ų | 73 | 72% | 0.723 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 106.2 | 173 | -63.6 | 179.6 | 0 | 0 | 0 | 109.2 | D638 | D638-I641 HydrophobicContact CB-CD1 3.9Å; D638-I641 HydrophobicContact CB-CG1 3.89Å; D638-I641 PolarHBondContact O-N 3.28Å |
| 642 | G | 67 | Low | 76.6 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 79% | 0.794 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | 20.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C640 | C640-G642 PolarHBondContact O-N 3.48Š|
| 643 | H | 79.4 | Confident | 76.3 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | trans | -55.5 | 153.6 | 177.3 | 65.1 | 61.9 | 0 | 0 | 0 | 113.3 | C640 C645 C651 Y660 | C640-H643 PolarHBondContact O-CD2 3.12Å; C640-H643 PolarHBondContact O-N 2.03Å; H643-C645 VanDerWaalsContact C-N 3.33Å; H643-C645 WeakPolarHBondContact ND1-CB 3.21Å; H643-C645 PolarHBondContact ND1-N 3.3Å; H643-C645 PolarHBondContact ND1-O 2.77Å; H643-C651 HydrophobicContact CB-CB 4.2Å; H643-C651 WeakPolarHBondContact CD2-CB 3.01Å; H643-Y660 HydrophobicContact CB-CD2 4.13Å; H643-Y660 HydrophobicContact CB-CE2 3.84Å | ||
| 644 | Q | 84 | Confident | 75.7 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | trans | -86.2 | -0.5 | 177.1 | -61.8 | -179.7 | 17.5 | 0 | 0 | 113.7 | M646 Y660 F672 | Q644-M646 WeakPolarHBondContact O-CG 3.46Å; Q644-M646 PolarHBondContact O-N 3.04Å; Q644-M646 VanDerWaalsContact O-N 3.11Å; Q644-Y660 WeakPolarHBondContact CB-OH 3.49Å; Q644-Y660 PolarHBondContact N-OH 3.23Å; Q644-F672 HydrophobicContact CB-CD1 3.66Å; Q644-F672 HydrophobicContact CB-CE1 3.91Å; Q644-F672 HydrophobicContact CB-CG 4.11Å | ||
| 645 | C | 86 | Confident | 75 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | trans | -56.5 | 117.5 | 177 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | H643 A649 C662 | H643-C645 VanDerWaalsContact C-N 3.33Å; H643-C645 WeakPolarHBondContact ND1-CB 3.21Å; H643-C645 PolarHBondContact ND1-N 3.3Å; H643-C645 PolarHBondContact ND1-O 2.77Å; C645-A649 HydrophobicContact CB-CB 4.06Å; C645-C662 WeakPolarHBondContact CA-SG 2.98Å; C645-C662 HydrophobicContact CB-CB 3.7Å; C645-C662 WeakPolarHBondContact CB-SG 3.32Å; C645-C662 VanDerWaalsContact SG-CA 3.55Å; C645-C662 WeakPolarHBondContact SG-CB 3.28Å; C645-C662 CovalentContact SG-SG 2.03Å; C645-C662 PolarHBondContact SG-SG 3.21Å | ||
| 646 | M | 79.3 | Confident | 74.9 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | trans | -91.1 | 173.4 | -179.5 | -55.5 | -163.8 | -175 | 0 | 0 | 110.8 | Q644 G648 A649 F672 E674 | Q644-M646 WeakPolarHBondContact O-CG 3.46Å; Q644-M646 PolarHBondContact O-N 3.04Å; Q644-M646 VanDerWaalsContact O-N 3.11Å; M646-G648 PolarHBondContact O-N 2.75Å; M646-A649 WeakPolarHBondContact O-CB 3.13Å; M646-A649 PolarHBondContact O-N 3.5Å; M646-A649 VanDerWaalsContact O-N 3.1Å; M646-F672 WeakPolarHBondContact CB-O 3.2Å; M646-F672 PolarHBondContact N-O 3.02Å; M646-E674 HydrophobicContact CE-CB 4.3Å; M646-E674 HydrophobicContact CG-CB 4.43Å; M646-E674 HydrophobicContact SD-CB 3.65Å | ||
| 647 | N | 77.3 | Confident | 74.5 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30.8 | 169.2 | -60.9 | -39.4 | 0 | 0 | 0 | 116.1 | A649 F668 C673 | N647-A649 VanDerWaalsContact C-N 3.27Å; N647-A649 PolarHBondContact O-N 2.94Å; N647-F668 HydrophobicContact CB-CB 4.4Å; N647-F668 HydrophobicContact CB-CD1 3.77Å; N647-F668 HydrophobicContact CB-CD2 3.61Å; N647-F668 HydrophobicContact CB-CE1 3.87Å; N647-F668 HydrophobicContact CB-CE2 3.72Å; N647-F668 HydrophobicContact CB-CG 3.64Å; N647-F668 HydrophobicContact CB-CZ 3.84Å; N647-F668 VanDerWaalsContact CG-CE1 3.4Å; N647-F668 WeakPolarHBondContact ND2-CD1 3.16Å; N647-F668 VanDerWaalsContact ND2-CE1 3.34Å; N647-F668 WeakPolarHBondContact ND2-CE1 3.12Å; N647-C673 PolarHBondContact ND2-O 2.9Å |
| 648 | G | 72.4 | Confident | 74.4 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 74% | 0.742 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 10.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M646 | M646-G648 PolarHBondContact O-N 2.75Š|
| 649 | A | 80.2 | Confident | 74.9 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 6% | 0.058 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 140.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C645 M646 N647 C662 G663 C673 | C645-A649 HydrophobicContact CB-CB 4.06Å; M646-A649 WeakPolarHBondContact O-CB 3.13Å; M646-A649 PolarHBondContact O-N 3.5Å; M646-A649 VanDerWaalsContact O-N 3.1Å; N647-A649 VanDerWaalsContact C-N 3.27Å; N647-A649 PolarHBondContact O-N 2.94Å; A649-C662 HydrophobicContact CB-CB 4.41Å; A649-G663 WeakPolarHBondContact CA-O 3.33Å; A649-G663 WeakPolarHBondContact CB-O 3.22Å; A649-C673 HydrophobicContact CB-CB 3.76Å; A649-C673 WeakPolarHBondContact CB-SG 3.04Å |
| 650 | N | 84.3 | Confident | 75.5 | Confident | 118 Ų | 118 | 72.7 Ų | 72.7 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.3 | -177 | -162.2 | 17.6 | 0 | 0 | 0 | 110.3 | G663 | N650-G663 PolarHBondContact N-O 3.16Å; N650-G663 VanDerWaalsContact N-O 3.15Å; N650-G663 PolarHBondContact O-N 3.02Å |
| 651 | C | 86.4 | Confident | 75.9 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.2 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | C640 H643 | C640-C651 WeakPolarHBondContact CA-SG 3.2Å; C640-C651 HydrophobicContact CB-CB 3.79Å; C640-C651 WeakPolarHBondContact CB-SG 3.47Å; C640-C651 WeakPolarHBondContact SG-CB 3.48Å; C640-C651 CovalentContact SG-SG 2.06Å; C640-C651 PolarHBondContact SG-SG 2.77Å; H643-C651 HydrophobicContact CB-CB 4.2Å; H643-C651 WeakPolarHBondContact CD2-CB 3.01Å |
| 652 | T | 84.7 | Confident | 76.8 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 42% | 0.423 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.2 | 174.8 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | Y660 V661 | T652-Y660 CarbonylContact O-C 3.5Å; T652-Y660 VanDerWaalsContact O-CA 3.31Å; T652-Y660 WeakPolarHBondContact O-CA 3.23Å; T652-V661 PolarHBondContact N-O 3.26Å; T652-V661 PolarHBondContact O-N 2.77Å; T652-V661 WeakPolarHBondContact OG1-CG1 3.39Å; T652-V661 PolarHBondContact OG1-O 3.41Å |
| 653 | A | 76.4 | Confident | 77.7 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 50% | 0.496 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P639 G655 | P639-A653 HydrophobicContact CG-CB 3.77Å; A653-G655 VanDerWaalsContact C-N 3.26Å; A653-G655 PolarHBondContact O-N 2.71Å |
| 654 | T | 73.1 | Confident | 77.8 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | trans | -83.3 | -1.1 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | L656 E659 V661 | T654-L656 VanDerWaalsContact C-N 3.33Å; T654-E659 HydrophobicContact CG2-CG 4.14Å; T654-E659 PolarHBondContact N-O 2.99Å; T654-E659 VanDerWaalsContact OG1-CB 3.24Å; T654-E659 WeakPolarHBondContact OG1-CB 2.91Å; T654-E659 VanDerWaalsContact OG1-CD 3.32Å; T654-E659 VanDerWaalsContact OG1-CG 3.28Å; T654-E659 WeakPolarHBondContact OG1-CG 3.5Å; T654-E659 PolarHBondContact OG1-O 2.78Å; T654-E659 PolarHBondContact OG1-OE2 3.28Å; T654-V661 HydrophobicContact CG2-CB 4.23Å | ||
| 655 | G | 67.1 | Low | 77.5 | Confident | 73 Ų | 73 | 67.7 Ų | 67.7 | 75% | 0.753 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 85.6 | -1.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A653 | A653-G655 VanDerWaalsContact C-N 3.26Å; A653-G655 PolarHBondContact O-N 2.71Å |
| 656 | L | 65.5 | Low | 76.9 | Confident | 111 Ų | 111 | 74.9 Ų | 74.9 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -99.4 | 140.3 | 170.1 | -73 | 169.1 | 0 | 0 | 0 | 110.4 | T654 G658 E659 | T654-L656 VanDerWaalsContact C-N 3.33Å; L656-G658 PolarHBondContact O-N 2.03Å; L656-G658 VanDerWaalsContact O-N 3.11Å; L656-E659 HydrophobicContact CB-CB 4.18Å; L656-E659 VanDerWaalsContact CD1-OE2 3.31Å; L656-E659 WeakPolarHBondContact CD1-OE2 3.38Å; L656-E659 PolarHBondContact O-N 3.45Å; L656-E659 VanDerWaalsContact O-N 3.11Å |
| 657 | P | 58.7 | Low | 76.4 | Confident | 105 Ų | 105 | 71 Ų | 71 | 68% | 0.682 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 117.4 | -177.8 | -23.4 | 32.3 | 0 | 0 | 0 | 111.9 | ||
| 658 | G | 62.1 | Low | 76.4 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 62% | 0.619 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L656 | L656-G658 PolarHBondContact O-N 2.03Å; L656-G658 VanDerWaalsContact O-N 3.11Å |
| 659 | E | 74.8 | Confident | 76.7 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | trans | -107.4 | 138.2 | -177.9 | -168.4 | -172.1 | -146 | 0 | 0 | 112.8 | T654 L656 | T654-E659 HydrophobicContact CG2-CG 4.14Å; T654-E659 PolarHBondContact N-O 2.99Å; T654-E659 VanDerWaalsContact OG1-CB 3.24Å; T654-E659 WeakPolarHBondContact OG1-CB 2.91Å; T654-E659 VanDerWaalsContact OG1-CD 3.32Å; T654-E659 VanDerWaalsContact OG1-CG 3.28Å; T654-E659 WeakPolarHBondContact OG1-CG 3.5Å; T654-E659 PolarHBondContact OG1-O 2.78Å; T654-E659 PolarHBondContact OG1-OE2 3.28Å; L656-E659 HydrophobicContact CB-CB 4.18Å; L656-E659 VanDerWaalsContact CD1-OE2 3.31Å; L656-E659 WeakPolarHBondContact CD1-OE2 3.38Å; L656-E659 PolarHBondContact O-N 3.45Å; L656-E659 VanDerWaalsContact O-N 3.11Å | ||
| 660 | Y | 81.5 | Confident | 76.6 | Confident | 57 Ų | 57 | 70 Ų | 70 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157 | 179.9 | 67.9 | -85.6 | 0 | 0 | 0 | 111.7 | H643 Q644 T652 | H643-Y660 HydrophobicContact CB-CD2 4.13Å; H643-Y660 HydrophobicContact CB-CE2 3.84Å; Q644-Y660 WeakPolarHBondContact CB-OH 3.49Å; Q644-Y660 PolarHBondContact N-OH 3.23Å; T652-Y660 CarbonylContact O-C 3.5Å; T652-Y660 VanDerWaalsContact O-CA 3.31Å; T652-Y660 WeakPolarHBondContact O-CA 3.23Å |
| 661 | V | 85.4 | Confident | 76.5 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.5 | 173.3 | 81.4 | 0 | 0 | 0 | 0 | 110.9 | T652 T654 | T652-V661 PolarHBondContact N-O 3.26Å; T652-V661 PolarHBondContact O-N 2.77Å; T652-V661 WeakPolarHBondContact OG1-CG1 3.39Å; T652-V661 PolarHBondContact OG1-O 3.41Å; T654-V661 HydrophobicContact CG2-CB 4.23Å |
| 662 | C | 87.3 | Confident | 76.6 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 11% | 0.108 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.3 | -179.4 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | C645 A649 C664 | C645-C662 WeakPolarHBondContact CA-SG 2.98Å; C645-C662 HydrophobicContact CB-CB 3.7Å; C645-C662 WeakPolarHBondContact CB-SG 3.32Å; C645-C662 VanDerWaalsContact SG-CA 3.55Å; C645-C662 WeakPolarHBondContact SG-CB 3.28Å; C645-C662 CovalentContact SG-SG 2.03Å; C645-C662 PolarHBondContact SG-SG 3.21Å; A649-C662 HydrophobicContact CB-CB 4.41Å; C662-C664 PolarHBondContact O-N 2.96Å |
| 663 | G | 85.5 | Confident | 76.5 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 43% | 0.433 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 99 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A649 N650 | A649-G663 WeakPolarHBondContact CA-O 3.33Å; A649-G663 WeakPolarHBondContact CB-O 3.22Å; N650-G663 PolarHBondContact N-O 3.16Å; N650-G663 VanDerWaalsContact N-O 3.15Å; N650-G663 PolarHBondContact O-N 3.02Å |
| 664 | C | 81.8 | Confident | 76.8 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 127 | -177.5 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | C662 F668 C673 | C662-C664 PolarHBondContact O-N 2.96Å; C664-F668 WeakPolarHBondContact CB-O 3.23Å; C664-C673 WeakPolarHBondContact CA-SG 3.48Å; C664-C673 HydrophobicContact CB-CB 3.74Å; C664-C673 WeakPolarHBondContact CB-SG 3.1Å; C664-C673 WeakPolarHBondContact SG-CA 3.34Å; C664-C673 WeakPolarHBondContact SG-CB 3.08Å; C664-C673 CovalentContact SG-SG 2.04Å; C664-C673 PolarHBondContact SG-SG 2.05Å |
| 665 | E | 78.2 | Confident | 76.8 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 139.6 | 171.3 | -164.2 | 169.5 | -177 | 0 | 0 | 109.8 | F668 | E665-F668 WeakPolarHBondContact O-CB 3.45Å; E665-F668 WeakPolarHBondContact O-CD2 3.02Å; E665-F668 PolarHBondContact O-N 3.16Å |
| 666 | H | 73.1 | Confident | 76.8 | Confident | 163 Ų | 163 | 74.7 Ų | 74.7 | 76% | 0.755 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 134.2 | 178.6 | -111.6 | 34.5 | 0 | 0 | 0 | 110.5 | ||
| 667 | P | 68.5 | Low | 76.9 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 12% | 0.117 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -109.5 | 43.1 | 14.2 | 42.4 | -33.5 | 0 | 0 | 0 | 113 | I677 S697 | P667-I677 HydrophobicContact CB-CB 4.37Å; P667-I677 WeakPolarHBondContact O-CB 3.43Å; P667-I677 VanDerWaalsContact O-CG1 3.3Å; P667-I677 WeakPolarHBondContact O-CG1 3.3Å; P667-I677 PolarHBondContact O-N 3.45Å; P667-S697 VanDerWaalsContact CD-OG 3.28Å; P667-S697 WeakPolarHBondContact CD-OG 3.24Å; P667-S697 WeakPolarHBondContact CG-OG 3.48Å |
| 668 | F | 78.3 | Confident | 77.2 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 17% | 0.171 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 147.5 | 177.3 | -58.3 | -75.1 | 0 | 0 | 0 | 112.5 | N647 C664 E665 C673 L675 E676 S697 | N647-F668 HydrophobicContact CB-CB 4.4Å; N647-F668 HydrophobicContact CB-CD1 3.77Å; N647-F668 HydrophobicContact CB-CD2 3.61Å; N647-F668 HydrophobicContact CB-CE1 3.87Å; N647-F668 HydrophobicContact CB-CE2 3.72Å; N647-F668 HydrophobicContact CB-CG 3.64Å; N647-F668 HydrophobicContact CB-CZ 3.84Å; N647-F668 VanDerWaalsContact CG-CE1 3.4Å; N647-F668 WeakPolarHBondContact ND2-CD1 3.16Å; N647-F668 VanDerWaalsContact ND2-CE1 3.34Å; N647-F668 WeakPolarHBondContact ND2-CE1 3.12Å; C664-F668 WeakPolarHBondContact CB-O 3.23Å; E665-F668 WeakPolarHBondContact O-CB 3.45Å; E665-F668 WeakPolarHBondContact O-CD2 3.02Å; E665-F668 PolarHBondContact O-N 3.16Å; F668-C673 HydrophobicContact CB-CB 4.25Å; F668-L675 CarbonylContact C-O 3.41Å; F668-L675 VanDerWaalsContact CA-O 3.31Å; F668-L675 WeakPolarHBondContact CA-O 3.29Å; F668-E676 HydrophobicContact CD1-CB 4.15Å; F668-E676 HydrophobicContact CD1-CG 4.46Å; F668-E676 HydrophobicContact CE1-CB 4.07Å; F668-E676 HydrophobicContact CE1-CG 4.11Å; F668-S697 WeakPolarHBondContact CZ-OG 3.26Å |
| 669 | T | 78.7 | Confident | 77.4 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 179.4 | 178.2 | -168 | 0 | 0 | 0 | 0 | 110.4 | C673 E674 L675 I677 | T669-C673 CarbonylContact O-C 3.37Å; T669-C673 VanDerWaalsContact O-C 3.24Å; T669-C673 VanDerWaalsContact O-CA 3.24Å; T669-C673 WeakPolarHBondContact O-CA 3.09Å; T669-E674 PolarHBondContact O-N 2.82Å; T669-L675 HydrophobicContact CG2-CB 3.69Å; T669-L675 HydrophobicContact CG2-CD1 4.39Å; T669-L675 PolarHBondContact N-O 3.16Å; T669-L675 WeakPolarHBondContact O-CB 3.44Å; T669-L675 PolarHBondContact O-N 3.25Å; T669-I677 HydrophobicContact CG2-CG1 4.07Å |
| 670 | G | 77.9 | Confident | 77.5 | Confident | 26 Ų | 26 | 67 Ų | 67 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 99 | 168.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | F672 C673 | G670-F672 PolarHBondContact O-N 2.89Å; G670-C673 PolarHBondContact O-N 2.78Å |
| 671 | K | 82.4 | Confident | 77.1 | Confident | 165 Ų | 165 | 70.9 Ų | 70.9 | 72% | 0.717 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -30.5 | -175.3 | -179.5 | 177.8 | 176.1 | -179.8 | 0 | 112 | E674 | K671-E674 PolarHBondContact N-OE2 3.06Š|
| 672 | F | 86.7 | Confident | 76.5 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 17.6 | 179.8 | -55.2 | -65.5 | 0 | 0 | 0 | 111.2 | Q644 M646 G670 E674 | Q644-F672 HydrophobicContact CB-CD1 3.66Å; Q644-F672 HydrophobicContact CB-CE1 3.91Å; Q644-F672 HydrophobicContact CB-CG 4.11Å; M646-F672 WeakPolarHBondContact CB-O 3.2Å; M646-F672 PolarHBondContact N-O 3.02Å; G670-F672 PolarHBondContact O-N 2.89Å; F672-E674 VanDerWaalsContact CA-OE2 3.24Å; F672-E674 WeakPolarHBondContact CA-OE2 3.42Å; F672-E674 WeakPolarHBondContact CB-OE2 3.42Å; F672-E674 PolarHBondContact N-OE2 2.57Å; F672-E674 PolarHBondContact O-N 2.83Å |
| 673 | C | 83.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.404 | C | S | . | . | S | Bend | trans | 59.5 | 30.5 | -178 | -44.8 | 0 | 0 | 0 | 0 | 113.6 | N647 A649 C664 F668 T669 G670 | N647-C673 PolarHBondContact ND2-O 2.9Å; A649-C673 HydrophobicContact CB-CB 3.76Å; A649-C673 WeakPolarHBondContact CB-SG 3.04Å; C664-C673 WeakPolarHBondContact CA-SG 3.48Å; C664-C673 HydrophobicContact CB-CB 3.74Å; C664-C673 WeakPolarHBondContact CB-SG 3.1Å; C664-C673 WeakPolarHBondContact SG-CA 3.34Å; C664-C673 WeakPolarHBondContact SG-CB 3.08Å; C664-C673 CovalentContact SG-SG 2.04Å; C664-C673 PolarHBondContact SG-SG 2.05Å; F668-C673 HydrophobicContact CB-CB 4.25Å; T669-C673 CarbonylContact O-C 3.37Å; T669-C673 VanDerWaalsContact O-C 3.24Å; T669-C673 VanDerWaalsContact O-CA 3.24Å; T669-C673 WeakPolarHBondContact O-CA 3.09Å; G670-C673 PolarHBondContact O-N 2.78Å |
| 674 | E | 81.5 | Confident | 75.9 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | trans | -82.2 | -18.7 | -175.4 | 70.5 | -78.8 | -170.1 | 0 | 0 | 114.2 | M646 T669 K671 F672 | M646-E674 HydrophobicContact CE-CB 4.3Å; M646-E674 HydrophobicContact CG-CB 4.43Å; M646-E674 HydrophobicContact SD-CB 3.65Å; T669-E674 PolarHBondContact O-N 2.82Å; K671-E674 PolarHBondContact N-OE2 3.06Å; F672-E674 VanDerWaalsContact CA-OE2 3.24Å; F672-E674 WeakPolarHBondContact CA-OE2 3.42Å; F672-E674 WeakPolarHBondContact CB-OE2 3.42Å; F672-E674 PolarHBondContact N-OE2 2.57Å; F672-E674 PolarHBondContact O-N 2.83Å | ||
| 675 | L | 74.4 | Confident | 76.1 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.9 | -177.3 | -59.7 | 174.1 | 0 | 0 | 0 | 109.8 | F668 T669 | F668-L675 CarbonylContact C-O 3.41Å; F668-L675 VanDerWaalsContact CA-O 3.31Å; F668-L675 WeakPolarHBondContact CA-O 3.29Å; T669-L675 HydrophobicContact CG2-CB 3.69Å; T669-L675 HydrophobicContact CG2-CD1 4.39Å; T669-L675 PolarHBondContact N-O 3.16Å; T669-L675 WeakPolarHBondContact O-CB 3.44Å; T669-L675 PolarHBondContact O-N 3.25Å |
| 676 | E | 67.4 | Low | 76.4 | Confident | 112 Ų | 112 | 76.4 Ų | 76.4 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.8 | 168.8 | -172.9 | 170.5 | -164.9 | 0 | 0 | 109.1 | F668 D678 S697 | F668-E676 HydrophobicContact CD1-CB 4.15Å; F668-E676 HydrophobicContact CD1-CG 4.46Å; F668-E676 HydrophobicContact CE1-CB 4.07Å; F668-E676 HydrophobicContact CE1-CG 4.11Å; E676-D678 PolarHBondContact O-N 2.92Å; E676-S697 VanDerWaalsContact OE1-CA 3.23Å; E676-S697 WeakPolarHBondContact OE1-CA 3.47Å; E676-S697 VanDerWaalsContact OE1-CB 3.24Å; E676-S697 WeakPolarHBondContact OE1-CB 3.41Å; E676-S697 PolarHBondContact OE1-OG 2.85Å |
| 677 | I | 67.6 | Low | 76.8 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 122.8 | 175.8 | -63 | 167.7 | 0 | 0 | 0 | 108.3 | P667 T669 P679 | P667-I677 HydrophobicContact CB-CB 4.37Å; P667-I677 WeakPolarHBondContact O-CB 3.43Å; P667-I677 VanDerWaalsContact O-CG1 3.3Å; P667-I677 WeakPolarHBondContact O-CG1 3.3Å; P667-I677 PolarHBondContact O-N 3.45Å; T669-I677 HydrophobicContact CG2-CG1 4.07Å; I677-P679 VanDerWaalsContact O-CD 3.25Å; I677-P679 WeakPolarHBondContact O-CD 3.43Å |
| 678 | D | 64.4 | Low | 77.3 | Confident | 86 Ų | 86 | 74 Ų | 74 | 46% | 0.46 | 39% | 0.394 | S | S | . | . | trans | -63.7 | 112.7 | 175.2 | 180 | -7.8 | 0 | 0 | 0 | 109.9 | E676 C680 I681 | E676-D678 PolarHBondContact O-N 2.92Å; D678-C680 PolarHBondContact O-N 3.47Å; D678-C680 VanDerWaalsContact O-N 3.12Å; D678-C680 WeakPolarHBondContact OD1-CB 3.27Å; D678-C680 PolarHBondContact OD1-N 2.76Å; D678-I681 HydrophobicContact CB-CD1 3.86Å; D678-I681 HydrophobicContact CB-CG1 3.95Å; D678-I681 PolarHBondContact O-N 2.84Å | ||
| 679 | P | 67.3 | Low | 77.4 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 16% | 0.156 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.5 | -175.8 | 31.1 | -35.7 | 0 | 0 | 0 | 113.2 | I677 A693 | I677-P679 VanDerWaalsContact O-CD 3.25Å; I677-P679 WeakPolarHBondContact O-CD 3.43Å; P679-A693 HydrophobicContact CG-CB 3.9Å |
| 680 | C | 75.1 | Confident | 77.8 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -3.5 | 177.4 | -71.5 | 0 | 0 | 0 | 0 | 114.9 | D678 D682 H683 C691 | D678-C680 PolarHBondContact O-N 3.47Å; D678-C680 VanDerWaalsContact O-N 3.12Å; D678-C680 WeakPolarHBondContact OD1-CB 3.27Å; D678-C680 PolarHBondContact OD1-N 2.76Å; C680-D682 VanDerWaalsContact C-N 3.25Å; C680-D682 PolarHBondContact O-N 3.04Å; C680-H683 PolarHBondContact O-CD2 3.38Å; C680-H683 VanDerWaalsContact O-CD2 3.24Å; C680-C691 WeakPolarHBondContact CA-SG 3.36Å; C680-C691 HydrophobicContact CB-CB 3.89Å; C680-C691 WeakPolarHBondContact CB-SG 3.33Å; C680-C691 WeakPolarHBondContact SG-CB 3.05Å; C680-C691 CovalentContact SG-SG 2.05Å; C680-C691 PolarHBondContact SG-SG 2.73Å |
| 681 | I | 74 | Confident | 78.2 | Confident | 140 Ų | 140 | 72.4 Ų | 72.4 | 72% | 0.718 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26 | 178.2 | -69 | 176 | 0 | 0 | 0 | 112.3 | D678 | D678-I681 HydrophobicContact CB-CD1 3.86Å; D678-I681 HydrophobicContact CB-CG1 3.95Å; D678-I681 PolarHBondContact O-N 2.84Å |
| 682 | D | 72.8 | Confident | 78.2 | Confident | 146 Ų | 146 | 67.2 Ų | 67.2 | 78% | 0.781 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.7 | 51.8 | 178.7 | -167.6 | 27.9 | 0 | 0 | 0 | 112.1 | C680 | C680-D682 VanDerWaalsContact C-N 3.25Å; C680-D682 PolarHBondContact O-N 3.04Å |
| 683 | H | 75.1 | Confident | 77.5 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 38% | 0.375 | 39% | 0.386 | S | S | . | . | trans | -76.7 | 147.6 | -175.6 | 68.3 | 61.5 | 0 | 0 | 0 | 113.5 | C680 C691 Y700 | C680-H683 PolarHBondContact O-CD2 3.38Å; C680-H683 VanDerWaalsContact O-CD2 3.24Å; H683-C691 HydrophobicContact CB-CB 3.85Å; H683-C691 VanDerWaalsContact CB-SG 3.56Å; H683-C691 WeakPolarHBondContact CD2-CB 3.5Å; H683-Y700 HydrophobicContact CB-CD2 4.24Å; H683-Y700 HydrophobicContact CB-CE2 4.22Å | ||
| 684 | Q | 84.4 | Confident | 76.5 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | trans | -102.9 | 32.8 | 176.5 | -59.9 | -179.5 | 8.7 | 0 | 0 | 113.8 | L686 Y700 R712 | Q684-L686 PolarHBondContact O-N 3.1Å; Q684-Y700 PolarHBondContact N-OH 3.2Å; Q684-R712 HydrophobicContact CB-CG 4.28Å; Q684-R712 VanDerWaalsContact O-CB 3.28Å; Q684-R712 WeakPolarHBondContact O-CB 3.27Å; Q684-R712 WeakPolarHBondContact O-CD 3.01Å; Q684-R712 VanDerWaalsContact O-CG 3.31Å; Q684-R712 WeakPolarHBondContact O-CG 2.99Å | ||
| 685 | C | 86.5 | Confident | 75.3 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | trans | -69.1 | 115.6 | 174.8 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | G689 C702 | C685-G689 WeakPolarHBondContact CB-O 3.3Å; C685-C702 WeakPolarHBondContact CA-SG 3.36Å; C685-C702 HydrophobicContact CB-CB 3.74Å; C685-C702 WeakPolarHBondContact CB-SG 3.39Å; C685-C702 WeakPolarHBondContact SG-CA 3.02Å; C685-C702 WeakPolarHBondContact SG-CB 3.32Å; C685-C702 CovalentContact SG-SG 2.03Å; C685-C702 PolarHBondContact SG-SG 2.92Å | ||
| 686 | L | 84.4 | Confident | 74.4 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -88 | 174.1 | 177.5 | -55.1 | 176.6 | 0 | 0 | 0 | 111.1 | Q684 G688 G689 R712 C713 E714 | Q684-L686 PolarHBondContact O-N 3.1Å; L686-G688 PolarHBondContact O-N 2.74Å; L686-G689 PolarHBondContact O-N 3.02Å; L686-R712 WeakPolarHBondContact CA-O 3.2Å; L686-R712 VanDerWaalsContact CB-O 3.25Å; L686-R712 WeakPolarHBondContact CB-O 3.45Å; L686-R712 HydrophobicContact CG-CB 4.44Å; L686-R712 PolarHBondContact N-O 3.18Å; L686-C713 WeakPolarHBondContact O-CB 3.46Å; L686-E714 HydrophobicContact CD1-CB 4.03Å | ||
| 687 | N | 81.3 | Confident | 73.8 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 34.5 | 172.7 | -61.1 | -36 | 0 | 0 | 0 | 115.2 | F708 C713 | N687-F708 HydrophobicContact CB-CD1 4.06Å; N687-F708 HydrophobicContact CB-CD2 3.9Å; N687-F708 HydrophobicContact CB-CE1 4.23Å; N687-F708 HydrophobicContact CB-CE2 4.08Å; N687-F708 HydrophobicContact CB-CG 3.89Å; N687-F708 HydrophobicContact CB-CZ 4.24Å; N687-F708 VanDerWaalsContact ND2-CD1 3.31Å; N687-F708 WeakPolarHBondContact ND2-CD1 3.49Å; N687-F708 WeakPolarHBondContact ND2-CE1 3.09Å; N687-C713 PolarHBondContact ND2-O 2.71Å |
| 688 | G | 78.8 | Confident | 73.5 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 18.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L686 Q705 | L686-G688 PolarHBondContact O-N 2.74Å; G688-Q705 PolarHBondContact O-NE2 2.79Å |
| 689 | G | 82.2 | Confident | 73.8 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 141.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C685 L686 H703 | C685-G689 WeakPolarHBondContact CB-O 3.3Å; L686-G689 PolarHBondContact O-N 3.02Å; G689-H703 CarbonylContact C-O 3.48Å; G689-H703 WeakPolarHBondContact CA-O 3.29Å |
| 690 | S | 85.6 | Confident | 74.2 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.1 | 179 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | C702 H703 | S690-C702 CarbonylContact O-C 3.49Å; S690-H703 PolarHBondContact N-O 3.26Å; S690-H703 PolarHBondContact O-CD2 3.05Å; S690-H703 PolarHBondContact O-N 3.15Å |
| 691 | C | 85.9 | Confident | 74.6 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 13% | 0.128 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 138.2 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | C680 H683 Y700 V701 | C680-C691 WeakPolarHBondContact CA-SG 3.36Å; C680-C691 HydrophobicContact CB-CB 3.89Å; C680-C691 WeakPolarHBondContact CB-SG 3.33Å; C680-C691 WeakPolarHBondContact SG-CB 3.05Å; C680-C691 CovalentContact SG-SG 2.05Å; C680-C691 PolarHBondContact SG-SG 2.73Å; H683-C691 HydrophobicContact CB-CB 3.85Å; H683-C691 VanDerWaalsContact CB-SG 3.56Å; H683-C691 WeakPolarHBondContact CD2-CB 3.5Å; C691-Y700 VanDerWaalsContact SG-CB 3.57Å; C691-V701 WeakPolarHBondContact CA-O 3.25Å |
| 692 | T | 82.8 | Confident | 75.2 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.3 | 162.4 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | A694 Y700 V701 H703 | T692-A694 PolarHBondContact O-N 2.81Å; T692-Y700 CarbonylContact O-C 3.57Å; T692-Y700 WeakPolarHBondContact O-CA 3.02Å; T692-V701 PolarHBondContact N-O 3.23Å; T692-V701 PolarHBondContact O-N 3.23Å; T692-H703 WeakPolarHBondContact CG2-NE2 3.24Å; T692-H703 PolarHBondContact OG1-NE2 2.83Å |
| 693 | A | 72.3 | Confident | 75.8 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P679 | P679-A693 HydrophobicContact CG-CB 3.9Å |
| 694 | A | 62.2 | Low | 76.1 | Confident | 21 Ų | 21 | 62 Ų | 62 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | trans | -80.9 | 156.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T692 K696 E699 V701 | T692-A694 PolarHBondContact O-N 2.81Å; A694-K696 PolarHBondContact O-N 3.5Å; A694-E699 HydrophobicContact CB-CB 3.6Å; A694-E699 PolarHBondContact N-O 3.38Å; A694-V701 HydrophobicContact CB-CG2 3.53Å | ||
| 695 | G | 56.9 | Low | 75.7 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 97% | 0.969 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -64.7 | 12.1 | -172 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 696 | K | 54.9 | Low | 74.7 | Confident | 144 Ų | 144 | 70.6 Ų | 70.6 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -126.5 | 141.7 | 170.6 | -69.8 | -178.1 | -178.1 | 175.7 | 0 | 109.5 | A694 G698 E699 | A694-K696 PolarHBondContact O-N 3.5Å; K696-G698 PolarHBondContact O-N 2.03Å; K696-E699 HydrophobicContact CB-CG 4.4Å; K696-E699 PolarHBondContact O-N 2.97Å; K696-E699 VanDerWaalsContact O-N 3.12Å |
| 697 | S | 54.8 | Low | 73.9 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 124.3 | -177.4 | -150.2 | 0 | 0 | 0 | 0 | 112.1 | P667 F668 E676 | P667-S697 VanDerWaalsContact CD-OG 3.28Å; P667-S697 WeakPolarHBondContact CD-OG 3.24Å; P667-S697 WeakPolarHBondContact CG-OG 3.48Å; F668-S697 WeakPolarHBondContact CZ-OG 3.26Å; E676-S697 VanDerWaalsContact OE1-CA 3.23Å; E676-S697 WeakPolarHBondContact OE1-CA 3.47Å; E676-S697 VanDerWaalsContact OE1-CB 3.24Å; E676-S697 WeakPolarHBondContact OE1-CB 3.41Å; E676-S697 PolarHBondContact OE1-OG 2.85Å |
| 698 | G | 62.1 | Low | 73.8 | Confident | 39 Ų | 39 | 68.3 Ų | 68.3 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -6.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K696 | K696-G698 PolarHBondContact O-N 2.03Š|
| 699 | E | 70.1 | Confident | 73.6 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | trans | -88.1 | 138.6 | 173.3 | -72.7 | -178.9 | 178.8 | 0 | 0 | 110.8 | A694 K696 | A694-E699 HydrophobicContact CB-CB 3.6Å; A694-E699 PolarHBondContact N-O 3.38Å; K696-E699 HydrophobicContact CB-CG 4.4Å; K696-E699 PolarHBondContact O-N 2.97Å; K696-E699 VanDerWaalsContact O-N 3.12Å | ||
| 700 | Y | 76.5 | Confident | 73.2 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 153.7 | 168.9 | 66.4 | -85.7 | 0 | 0 | 0 | 111.1 | H683 Q684 C691 T692 | H683-Y700 HydrophobicContact CB-CD2 4.24Å; H683-Y700 HydrophobicContact CB-CE2 4.22Å; Q684-Y700 PolarHBondContact N-OH 3.2Å; C691-Y700 VanDerWaalsContact SG-CB 3.57Å; T692-Y700 CarbonylContact O-C 3.57Å; T692-Y700 WeakPolarHBondContact O-CA 3.02Å |
| 701 | V | 82.4 | Confident | 72.9 | Confident | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.1 | 174.8 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | C691 T692 A694 | C691-V701 WeakPolarHBondContact CA-O 3.25Å; T692-V701 PolarHBondContact N-O 3.23Å; T692-V701 PolarHBondContact O-N 3.23Å; A694-V701 HydrophobicContact CB-CG2 3.53Å |
| 702 | C | 86.5 | Confident | 72.9 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 10% | 0.095 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.8 | 168.7 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | C685 S690 C704 K711 | C685-C702 WeakPolarHBondContact CA-SG 3.36Å; C685-C702 HydrophobicContact CB-CB 3.74Å; C685-C702 WeakPolarHBondContact CB-SG 3.39Å; C685-C702 WeakPolarHBondContact SG-CA 3.02Å; C685-C702 WeakPolarHBondContact SG-CB 3.32Å; C685-C702 CovalentContact SG-SG 2.03Å; C685-C702 PolarHBondContact SG-SG 2.92Å; S690-C702 CarbonylContact O-C 3.49Å; C702-C704 PolarHBondContact O-N 2.81Å; C702-K711 PolarHBondContact SG-O 3.47Å |
| 703 | H | 86.2 | Confident | 73 | Confident | 96 Ų | 96 | 76.2 Ų | 76.2 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 103.2 | 169.7 | -60.4 | -59.4 | 0 | 0 | 0 | 109.5 | G689 S690 T692 | G689-H703 CarbonylContact C-O 3.48Å; G689-H703 WeakPolarHBondContact CA-O 3.29Å; S690-H703 PolarHBondContact N-O 3.26Å; S690-H703 PolarHBondContact O-CD2 3.05Å; S690-H703 PolarHBondContact O-N 3.15Å; T692-H703 WeakPolarHBondContact CG2-NE2 3.24Å; T692-H703 PolarHBondContact OG1-NE2 2.83Å |
| 704 | C | 82 | Confident | 73.7 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | trans | -76.1 | 145.4 | -175.9 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | C702 F708 C713 | C702-C704 PolarHBondContact O-N 2.81Å; C704-F708 HydrophobicContact CB-CB 4.41Å; C704-F708 WeakPolarHBondContact CB-O 3.27Å; C704-C713 WeakPolarHBondContact CA-SG 3.3Å; C704-C713 HydrophobicContact CB-CB 3.67Å; C704-C713 WeakPolarHBondContact CB-SG 3.32Å; C704-C713 WeakPolarHBondContact SG-CA 3.24Å; C704-C713 WeakPolarHBondContact SG-CB 3.4Å; C704-C713 CovalentContact SG-SG 2.04Å; C704-C713 PolarHBondContact SG-SG 3.1Å | ||
| 705 | Q | 75.1 | Confident | 74.3 | Confident | 123 Ų | 123 | 79.4 Ų | 79.4 | 58% | 0.575 | 43% | 0.433 | S | S | * | . | trans | -70.8 | 156.9 | 171.1 | -68 | -169.6 | -1.6 | 0 | 0 | 111.4 | G688 A707 F708 | G688-Q705 PolarHBondContact O-NE2 2.79Å; Q705-A707 PolarHBondContact O-N 3.42Å; Q705-F708 PolarHBondContact O-N 3.3Å; Q705-F708 VanDerWaalsContact O-N 3.16Å | ||
| 706 | H | 66.1 | Low | 74.8 | Confident | 184 Ų | 184 | 82.5 Ų | 82.5 | 85% | 0.852 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 93.3 | 179.9 | -73.3 | -83.9 | 0 | 0 | 0 | 111.8 | ||
| 707 | A | 67.3 | Low | 75.2 | Confident | 44 Ų | 44 | 80.5 Ų | 80.5 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 151.3 | -11.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q705 F717 | Q705-A707 PolarHBondContact O-N 3.42Å; A707-F717 WeakPolarHBondContact O-CB 3.19Å; A707-F717 PolarHBondContact O-N 2.75Å |
| 708 | F | 79.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.4 | -176.3 | -59.1 | -84.6 | 0 | 0 | 0 | 112.8 | N687 C704 Q705 C713 V715 | N687-F708 HydrophobicContact CB-CD1 4.06Å; N687-F708 HydrophobicContact CB-CD2 3.9Å; N687-F708 HydrophobicContact CB-CE1 4.23Å; N687-F708 HydrophobicContact CB-CE2 4.08Å; N687-F708 HydrophobicContact CB-CG 3.89Å; N687-F708 HydrophobicContact CB-CZ 4.24Å; N687-F708 VanDerWaalsContact ND2-CD1 3.31Å; N687-F708 WeakPolarHBondContact ND2-CD1 3.49Å; N687-F708 WeakPolarHBondContact ND2-CE1 3.09Å; C704-F708 HydrophobicContact CB-CB 4.41Å; C704-F708 WeakPolarHBondContact CB-O 3.27Å; Q705-F708 PolarHBondContact O-N 3.3Å; Q705-F708 VanDerWaalsContact O-N 3.16Å; F708-C713 HydrophobicContact CB-CB 4.33Å; F708-V715 CarbonylContact C-O 3.21Å; F708-V715 VanDerWaalsContact CA-O 3.25Å; F708-V715 WeakPolarHBondContact CA-O 3.39Å |
| 709 | T | 74.1 | Confident | 75.9 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | -175.3 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | C713 E714 V715 | T709-C713 CarbonylContact O-C 3.5Å; T709-C713 VanDerWaalsContact O-CA 3.27Å; T709-C713 WeakPolarHBondContact O-CA 3.18Å; T709-E714 PolarHBondContact O-N 2.9Å; T709-E714 VanDerWaalsContact O-N 3.13Å; T709-V715 HydrophobicContact CG2-CB 3.68Å; T709-V715 HydrophobicContact CG2-CG1 3.75Å; T709-V715 PolarHBondContact N-O 2.88Å; T709-V715 WeakPolarHBondContact O-CB 3.12Å; T709-V715 PolarHBondContact O-N 3.35Å |
| 710 | G | 73.2 | Confident | 76.1 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 95.1 | 161.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R712 C713 E714 | G710-R712 PolarHBondContact O-N 3.04Å; G710-C713 PolarHBondContact O-N 3.45Å; G710-C713 VanDerWaalsContact O-N 3.16Å; G710-E714 WeakPolarHBondContact CA-OE2 3.45Å |
| 711 | K | 81.3 | Confident | 75.7 | Confident | 189 Ų | 189 | 81.5 Ų | 81.5 | 82% | 0.822 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.9 | -172.7 | -74.7 | -173.8 | 173.4 | -175.2 | 0 | 113.2 | C702 E714 | C702-K711 PolarHBondContact SG-O 3.47Å; K711-E714 PolarHBondContact N-OE2 2.05Å |
| 712 | R | 85.3 | Confident | 74.8 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 18.1 | 176.5 | -69.3 | -176.8 | -62.3 | -145.5 | -2.6 | 111.2 | Q684 L686 G710 E714 | Q684-R712 HydrophobicContact CB-CG 4.28Å; Q684-R712 VanDerWaalsContact O-CB 3.28Å; Q684-R712 WeakPolarHBondContact O-CB 3.27Å; Q684-R712 WeakPolarHBondContact O-CD 3.01Å; Q684-R712 VanDerWaalsContact O-CG 3.31Å; Q684-R712 WeakPolarHBondContact O-CG 2.99Å; L686-R712 WeakPolarHBondContact CA-O 3.2Å; L686-R712 VanDerWaalsContact CB-O 3.25Å; L686-R712 WeakPolarHBondContact CB-O 3.45Å; L686-R712 HydrophobicContact CG-CB 4.44Å; L686-R712 PolarHBondContact N-O 3.18Å; G710-R712 PolarHBondContact O-N 3.04Å; R712-E714 VanDerWaalsContact C-N 3.28Å; R712-E714 VanDerWaalsContact C-OE2 3.25Å; R712-E714 VanDerWaalsContact CA-OE2 3.31Å; R712-E714 WeakPolarHBondContact CA-OE2 3.31Å; R712-E714 PolarHBondContact N-OE2 3.37Å; R712-E714 PolarHBondContact O-N 3.5Å |
| 713 | C | 85.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 44% | 0.443 | C | S | . | . | S | Bend | trans | 61.3 | 32.2 | -175.8 | -48.9 | 0 | 0 | 0 | 0 | 114.3 | L686 N687 C704 F708 T709 G710 | L686-C713 WeakPolarHBondContact O-CB 3.46Å; N687-C713 PolarHBondContact ND2-O 2.71Å; C704-C713 WeakPolarHBondContact CA-SG 3.3Å; C704-C713 HydrophobicContact CB-CB 3.67Å; C704-C713 WeakPolarHBondContact CB-SG 3.32Å; C704-C713 WeakPolarHBondContact SG-CA 3.24Å; C704-C713 WeakPolarHBondContact SG-CB 3.4Å; C704-C713 CovalentContact SG-SG 2.04Å; C704-C713 PolarHBondContact SG-SG 3.1Å; F708-C713 HydrophobicContact CB-CB 4.33Å; T709-C713 CarbonylContact O-C 3.5Å; T709-C713 VanDerWaalsContact O-CA 3.27Å; T709-C713 WeakPolarHBondContact O-CA 3.18Å; G710-C713 PolarHBondContact O-N 3.45Å; G710-C713 VanDerWaalsContact O-N 3.16Å |
| 714 | E | 85.5 | Confident | 73.8 | Confident | 81 Ų | 81 | 86.5 Ų | 86.5 | 38% | 0.379 | 45% | 0.45 | S | S | . | . | trans | -88 | -14.5 | -174.4 | 70 | -88 | -136.4 | 0 | 0 | 115.1 | L686 T709 G710 K711 R712 | L686-E714 HydrophobicContact CD1-CB 4.03Å; T709-E714 PolarHBondContact O-N 2.9Å; T709-E714 VanDerWaalsContact O-N 3.13Å; G710-E714 WeakPolarHBondContact CA-OE2 3.45Å; K711-E714 PolarHBondContact N-OE2 2.05Å; R712-E714 VanDerWaalsContact C-N 3.28Å; R712-E714 VanDerWaalsContact C-OE2 3.25Å; R712-E714 VanDerWaalsContact CA-OE2 3.31Å; R712-E714 WeakPolarHBondContact CA-OE2 3.31Å; R712-E714 PolarHBondContact N-OE2 3.37Å; R712-E714 PolarHBondContact O-N 3.5Å | ||
| 715 | V | 75.8 | Confident | 73.9 | Confident | 73 Ų | 73 | 85 Ų | 85 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.3 | -173.4 | -175.5 | 0 | 0 | 0 | 0 | 110 | F708 T709 | F708-V715 CarbonylContact C-O 3.21Å; F708-V715 VanDerWaalsContact CA-O 3.25Å; F708-V715 WeakPolarHBondContact CA-O 3.39Å; T709-V715 HydrophobicContact CG2-CB 3.68Å; T709-V715 HydrophobicContact CG2-CG1 3.75Å; T709-V715 PolarHBondContact N-O 2.88Å; T709-V715 WeakPolarHBondContact O-CB 3.12Å; T709-V715 PolarHBondContact O-N 3.35Å |
| 716 | E | 67.9 | Low | 74.1 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.7 | 172.7 | -162.7 | 170.9 | -171.5 | 0 | 0 | 110.5 | D718 | E716-D718 PolarHBondContact O-N 2.72Å |
| 717 | F | 62.8 | Low | 74.5 | Confident | 103 Ų | 103 | 78.6 Ų | 78.6 | 45% | 0.452 | 41% | 0.414 | S | S | . | . | trans | -74.6 | 108.9 | -169.6 | -172.2 | -88.7 | 0 | 0 | 0 | 112.6 | A707 P719 | A707-F717 WeakPolarHBondContact O-CB 3.19Å; A707-F717 PolarHBondContact O-N 2.75Å; F717-P719 HydrophobicContact CD1-CB 4.42Å; F717-P719 HydrophobicContact CE1-CB 3.87Å | ||
| 718 | D | 66.1 | Low | 74.8 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | trans | -91.4 | 113 | 164 | -178.8 | -14.3 | 0 | 0 | 0 | 109.9 | E716 C720 I721 | E716-D718 PolarHBondContact O-N 2.72Å; D718-C720 PolarHBondContact O-N 3.11Å; D718-C720 VanDerWaalsContact O-N 3.09Å; D718-C720 PolarHBondContact OD1-N 2.75Å; D718-I721 HydrophobicContact CB-CB 4.45Å; D718-I721 HydrophobicContact CB-CD1 3.78Å; D718-I721 HydrophobicContact CB-CG1 3.87Å; D718-I721 PolarHBondContact O-N 3.42Å | ||
| 719 | P | 65 | Low | 74.8 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 17% | 0.169 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.4 | -177.2 | 25.7 | -33.4 | 0 | 0 | 0 | 114.7 | F717 A733 | F717-P719 HydrophobicContact CD1-CB 4.42Å; F717-P719 HydrophobicContact CE1-CB 3.87Å; P719-A733 HydrophobicContact CG-CB 3.72Å |
| 720 | C | 74.6 | Confident | 75.3 | Confident | 28 Ų | 28 | 79 Ų | 79 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -10.3 | 177.1 | -78.9 | 0 | 0 | 0 | 0 | 114.8 | D718 G722 H723 C731 | D718-C720 PolarHBondContact O-N 3.11Å; D718-C720 VanDerWaalsContact O-N 3.09Å; D718-C720 PolarHBondContact OD1-N 2.75Å; C720-G722 PolarHBondContact O-N 2.95Å; C720-H723 PolarHBondContact O-CD2 2.77Å; C720-H723 PolarHBondContact O-N 3.07Å; C720-C731 WeakPolarHBondContact CA-SG 3.4Å; C720-C731 HydrophobicContact CB-CB 3.96Å; C720-C731 WeakPolarHBondContact CB-SG 3.03Å; C720-C731 WeakPolarHBondContact SG-CB 3.42Å; C720-C731 CovalentContact SG-SG 2.07Å; C720-C731 PolarHBondContact SG-SG 3.12Å |
| 721 | I | 67.4 | Low | 75.8 | Confident | 140 Ų | 140 | 78.4 Ų | 78.4 | 72% | 0.718 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 112 | 175.5 | -63.1 | 178.9 | 0 | 0 | 0 | 109.4 | D718 | D718-I721 HydrophobicContact CB-CB 4.45Å; D718-I721 HydrophobicContact CB-CD1 3.78Å; D718-I721 HydrophobicContact CB-CG1 3.87Å; D718-I721 PolarHBondContact O-N 3.42Å |
| 722 | G | 64 | Low | 75.9 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 19.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C720 | C720-G722 PolarHBondContact O-N 2.95Š|
| 723 | H | 74.8 | Confident | 75.3 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | trans | -50.4 | 142.4 | 175.1 | 67.1 | 66.6 | 0 | 0 | 0 | 111.4 | C720 C725 C731 Y740 | C720-H723 PolarHBondContact O-CD2 2.77Å; C720-H723 PolarHBondContact O-N 3.07Å; H723-C725 VanDerWaalsContact C-N 3.32Å; H723-C725 PolarHBondContact O-N 2.03Å; H723-C731 HydrophobicContact CB-CB 3.93Å; H723-C731 WeakPolarHBondContact CD2-CB 3.04Å; H723-Y740 HydrophobicContact CB-CD2 4.23Å; H723-Y740 HydrophobicContact CB-CE2 4.18Å | ||
| 724 | K | 77.2 | Confident | 74.4 | Confident | 135 Ų | 135 | 72 Ų | 72 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | trans | -93.8 | 19.3 | 178.4 | -66 | -164.1 | -179.8 | -172 | 0 | 113.5 | M726 Y740 | K724-M726 WeakPolarHBondContact O-CG 3.31Å; K724-M726 PolarHBondContact O-N 3.49Å; K724-Y740 PolarHBondContact N-OH 3.46Å | ||
| 725 | C | 83.6 | Confident | 73.1 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 10% | 0.101 | 45% | 0.445 | C | S | . | . | trans | -56 | 110.2 | 170.2 | -50.7 | 0 | 0 | 0 | 0 | 109.3 | H723 G729 C742 R752 | H723-C725 VanDerWaalsContact C-N 3.32Å; H723-C725 PolarHBondContact O-N 2.03Å; C725-G729 WeakPolarHBondContact CB-O 3.28Å; C725-C742 WeakPolarHBondContact CA-SG 3.03Å; C725-C742 HydrophobicContact CB-CB 3.77Å; C725-C742 WeakPolarHBondContact CB-SG 3.4Å; C725-C742 VanDerWaalsContact SG-CA 3.58Å; C725-C742 WeakPolarHBondContact SG-CB 3.34Å; C725-C742 CovalentContact SG-SG 2.02Å; C725-C742 PolarHBondContact SG-SG 3.29Å; C725-R752 CarbonylContact C-O 3.44Å | ||
| 726 | M | 79.3 | Confident | 72.3 | Confident | 94 Ų | 94 | 76 Ų | 76 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | trans | -82.5 | 169.7 | 178.9 | -61.2 | -170.1 | 172.7 | 0 | 0 | 110.1 | K724 G728 G729 R752 C753 E754 | K724-M726 WeakPolarHBondContact O-CG 3.31Å; K724-M726 PolarHBondContact O-N 3.49Å; M726-G728 PolarHBondContact O-N 3.32Å; M726-G729 PolarHBondContact O-N 2.88Å; M726-R752 WeakPolarHBondContact CB-O 2.99Å; M726-R752 PolarHBondContact N-O 3.31Å; M726-C753 VanDerWaalsContact O-CB 3.3Å; M726-C753 WeakPolarHBondContact O-CB 3.16Å; M726-E754 HydrophobicContact CG-CB 4.35Å; M726-E754 HydrophobicContact SD-CB 3.53Å; M726-E754 VanDerWaalsContact SD-CB 3.53Å | ||
| 727 | N | 74.3 | Confident | 71.7 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.1 | 168.9 | -58 | -44.9 | 0 | 0 | 0 | 115.5 | F748 C753 | N727-F748 HydrophobicContact CB-CB 4.2Å; N727-F748 HydrophobicContact CB-CD1 3.46Å; N727-F748 VanDerWaalsContact CB-CD1 3.46Å; N727-F748 HydrophobicContact CB-CD2 3.55Å; N727-F748 HydrophobicContact CB-CE1 3.58Å; N727-F748 HydrophobicContact CB-CE2 3.69Å; N727-F748 HydrophobicContact CB-CG 3.44Å; N727-F748 VanDerWaalsContact CB-CG 3.44Å; N727-F748 HydrophobicContact CB-CZ 3.69Å; N727-F748 WeakPolarHBondContact ND2-CD1 3.5Å; N727-F748 WeakPolarHBondContact ND2-CE1 3.35Å; N727-C753 PolarHBondContact ND2-O 3.24Å |
| 728 | G | 73.6 | Confident | 71.5 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 8.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | M726 | M726-G728 PolarHBondContact O-N 3.32Š|
| 729 | G | 80.6 | Confident | 71.6 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 5% | 0.052 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 137.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C725 M726 H743 | C725-G729 WeakPolarHBondContact CB-O 3.28Å; M726-G729 PolarHBondContact O-N 2.88Å; G729-H743 CarbonylContact C-O 3.57Å; G729-H743 WeakPolarHBondContact CA-O 3.45Å |
| 730 | N | 84.2 | Confident | 72.1 | Confident | 115 Ų | 115 | 73.8 Ų | 73.8 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.1 | -177.5 | -163.3 | 13.5 | 0 | 0 | 0 | 112 | C742 H743 | N730-C742 CarbonylContact O-C 3.23Å; N730-C742 WeakPolarHBondContact O-CA 3.25Å; N730-H743 HydrophobicContact CB-CB 4.34Å; N730-H743 PolarHBondContact N-O 2.79Å; N730-H743 PolarHBondContact O-N 2.03Å; N730-H743 PolarHBondContact O-ND1 2.03Å |
| 731 | C | 84.1 | Confident | 72.5 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 10% | 0.101 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.7 | -175.3 | -177.8 | 0 | 0 | 0 | 0 | 113 | C720 H723 V741 | C720-C731 WeakPolarHBondContact CA-SG 3.4Å; C720-C731 HydrophobicContact CB-CB 3.96Å; C720-C731 WeakPolarHBondContact CB-SG 3.03Å; C720-C731 WeakPolarHBondContact SG-CB 3.42Å; C720-C731 CovalentContact SG-SG 2.07Å; C720-C731 PolarHBondContact SG-SG 3.12Å; H723-C731 HydrophobicContact CB-CB 3.93Å; H723-C731 WeakPolarHBondContact CD2-CB 3.04Å; C731-V741 WeakPolarHBondContact CA-O 3.44Å |
| 732 | T | 83 | Confident | 73.4 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.4 | 167.6 | 59.5 | 0 | 0 | 0 | 0 | 111 | A734 Y740 V741 H743 | T732-A734 PolarHBondContact O-N 3.36Å; T732-Y740 CarbonylContact O-C 3.24Å; T732-Y740 WeakPolarHBondContact O-CA 3.25Å; T732-V741 PolarHBondContact N-O 3.37Å; T732-V741 PolarHBondContact O-N 2.95Å; T732-H743 PolarHBondContact OG1-CE1 3.35Å; T732-H743 VanDerWaalsContact OG1-CE1 3.25Å |
| 733 | A | 72.2 | Confident | 74.5 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 56% | 0.562 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 128.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P719 | P719-A733 HydrophobicContact CG-CB 3.72Å |
| 734 | A | 66.9 | Low | 74.7 | Confident | 24 Ų | 24 | 70 Ų | 70 | 20% | 0.198 | 43% | 0.429 | C | S | . | . | trans | -89.5 | 136.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | T732 Q736 E739 V741 | T732-A734 PolarHBondContact O-N 3.36Å; A734-Q736 PolarHBondContact O-N 3.5Å; A734-E739 HydrophobicContact CB-CB 3.68Å; A734-E739 PolarHBondContact N-O 3.12Å; A734-V741 HydrophobicContact CB-CG2 3.78Å | ||
| 735 | G | 58.7 | Low | 74.7 | Confident | 95 Ų | 95 | 70.2 Ų | 70.2 | 98% | 0.979 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -62.8 | 13.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 736 | Q | 58.3 | Low | 74.2 | Confident | 145 Ų | 145 | 77.8 Ų | 77.8 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -112.8 | 138 | 170.7 | -65.6 | -175.8 | 8.9 | 0 | 0 | 110.2 | A734 G738 E739 | A734-Q736 PolarHBondContact O-N 3.5Å; Q736-G738 PolarHBondContact O-N 3.21Å; Q736-E739 PolarHBondContact O-N 2.86Å; Q736-E739 VanDerWaalsContact O-N 3.08Å |
| 737 | S | 55.1 | Low | 73.7 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | 102.6 | -177.2 | 163.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 738 | G | 58.9 | Low | 73.8 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.6 | -8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q736 | Q736-G738 PolarHBondContact O-N 3.21Š|
| 739 | E | 67.5 | Low | 73.9 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | trans | -91.6 | 142.6 | -179.7 | -75.8 | -169.4 | 149.6 | 0 | 0 | 113.3 | A734 Q736 | A734-E739 HydrophobicContact CB-CB 3.68Å; A734-E739 PolarHBondContact N-O 3.12Å; Q736-E739 PolarHBondContact O-N 2.86Å; Q736-E739 VanDerWaalsContact O-N 3.08Å | ||
| 740 | Y | 76.8 | Confident | 73.6 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 28% | 0.275 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.2 | 170.8 | 66.6 | -85.2 | 0 | 0 | 0 | 110.8 | H723 K724 T732 C742 | H723-Y740 HydrophobicContact CB-CD2 4.23Å; H723-Y740 HydrophobicContact CB-CE2 4.18Å; K724-Y740 PolarHBondContact N-OH 3.46Å; T732-Y740 CarbonylContact O-C 3.24Å; T732-Y740 WeakPolarHBondContact O-CA 3.25Å; Y740-C742 VanDerWaalsContact CE2-SG 3.55Å |
| 741 | V | 82.4 | Confident | 73.4 | Confident | 69 Ų | 69 | 78 Ų | 78 | 42% | 0.418 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.6 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | C731 T732 A734 | C731-V741 WeakPolarHBondContact CA-O 3.44Å; T732-V741 PolarHBondContact N-O 3.37Å; T732-V741 PolarHBondContact O-N 2.95Å; A734-V741 HydrophobicContact CB-CG2 3.78Å |
| 742 | C | 85.1 | Confident | 73.4 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 10% | 0.095 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 111 | C725 N730 Y740 K751 | C725-C742 WeakPolarHBondContact CA-SG 3.03Å; C725-C742 HydrophobicContact CB-CB 3.77Å; C725-C742 WeakPolarHBondContact CB-SG 3.4Å; C725-C742 VanDerWaalsContact SG-CA 3.58Å; C725-C742 WeakPolarHBondContact SG-CB 3.34Å; C725-C742 CovalentContact SG-SG 2.02Å; C725-C742 PolarHBondContact SG-SG 3.29Å; N730-C742 CarbonylContact O-C 3.23Å; N730-C742 WeakPolarHBondContact O-CA 3.25Å; Y740-C742 VanDerWaalsContact CE2-SG 3.55Å; C742-K751 WeakPolarHBondContact CB-O 3.24Å |
| 743 | H | 87.1 | Confident | 73.4 | Confident | 107 Ų | 107 | 79.3 Ų | 79.3 | 50% | 0.495 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110.1 | 174.2 | -64.5 | 64.6 | 0 | 0 | 0 | 108.6 | G729 N730 T732 | G729-H743 CarbonylContact C-O 3.57Å; G729-H743 WeakPolarHBondContact CA-O 3.45Å; N730-H743 HydrophobicContact CB-CB 4.34Å; N730-H743 PolarHBondContact N-O 2.79Å; N730-H743 PolarHBondContact O-N 2.03Å; N730-H743 PolarHBondContact O-ND1 2.03Å; T732-H743 PolarHBondContact OG1-CE1 3.35Å; T732-H743 VanDerWaalsContact OG1-CE1 3.25Å |
| 744 | C | 79.8 | Confident | 73.8 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 28% | 0.284 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -88 | 133.8 | -170.8 | -52.6 | 0 | 0 | 0 | 0 | 113.2 | F748 G750 C753 | C744-F748 HydrophobicContact CB-CB 4.48Å; C744-F748 VanDerWaalsContact CB-O 3.24Å; C744-F748 WeakPolarHBondContact CB-O 3.4Å; C744-G750 PolarHBondContact SG-O 2.99Å; C744-C753 WeakPolarHBondContact CA-SG 2.92Å; C744-C753 HydrophobicContact CB-CB 3.74Å; C744-C753 WeakPolarHBondContact CB-SG 3.41Å; C744-C753 WeakPolarHBondContact SG-CA 3Å; C744-C753 WeakPolarHBondContact SG-CB 3.27Å; C744-C753 CovalentContact SG-SG 2.04Å; C744-C753 PolarHBondContact SG-SG 3.18Å |
| 745 | E | 77.1 | Confident | 74.1 | Confident | 139 Ų | 139 | 81.4 Ų | 81.4 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 138 | 171.8 | -143.8 | 177.7 | -177.5 | 0 | 0 | 109.8 | F748 | E745-F748 WeakPolarHBondContact O-CB 3.02Å; E745-F748 WeakPolarHBondContact O-CD2 3.34Å; E745-F748 PolarHBondContact O-N 2.8Å |
| 746 | H | 73 | Confident | 74.2 | Confident | 174 Ų | 174 | 78.8 Ų | 78.8 | 81% | 0.806 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 133.7 | 177.8 | -90.9 | 15.8 | 0 | 0 | 0 | 110.6 | ||
| 747 | P | 68.8 | Low | 74.4 | Confident | 28 Ų | 28 | 75.9 Ų | 75.9 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -108.4 | 46.7 | 15.9 | 40.2 | -29.8 | 0 | 0 | 0 | 113.4 | I757 P777 | P747-I757 HydrophobicContact CB-CB 4.39Å; P747-I757 HydrophobicContact CB-CD1 4.33Å; P747-I757 WeakPolarHBondContact O-CB 3.43Å; P747-I757 VanDerWaalsContact O-CG1 3.29Å; P747-I757 WeakPolarHBondContact O-CG1 3Å; P747-I757 PolarHBondContact O-N 3.06Å; P747-P777 HydrophobicContact CG-CB 4.16Å |
| 748 | F | 76.7 | Confident | 74.9 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 18% | 0.18 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144 | 177.1 | -56.5 | -76.1 | 0 | 0 | 0 | 112 | N727 C744 E745 C753 V755 P777 | N727-F748 HydrophobicContact CB-CB 4.2Å; N727-F748 HydrophobicContact CB-CD1 3.46Å; N727-F748 VanDerWaalsContact CB-CD1 3.46Å; N727-F748 HydrophobicContact CB-CD2 3.55Å; N727-F748 HydrophobicContact CB-CE1 3.58Å; N727-F748 HydrophobicContact CB-CE2 3.69Å; N727-F748 HydrophobicContact CB-CG 3.44Å; N727-F748 VanDerWaalsContact CB-CG 3.44Å; N727-F748 HydrophobicContact CB-CZ 3.69Å; N727-F748 WeakPolarHBondContact ND2-CD1 3.5Å; N727-F748 WeakPolarHBondContact ND2-CE1 3.35Å; C744-F748 HydrophobicContact CB-CB 4.48Å; C744-F748 VanDerWaalsContact CB-O 3.24Å; C744-F748 WeakPolarHBondContact CB-O 3.4Å; E745-F748 WeakPolarHBondContact O-CB 3.02Å; E745-F748 WeakPolarHBondContact O-CD2 3.34Å; E745-F748 PolarHBondContact O-N 2.8Å; F748-C753 HydrophobicContact CB-CB 4.26Å; F748-V755 CarbonylContact C-O 3.47Å; F748-V755 WeakPolarHBondContact CA-O 3.13Å; F748-P777 HydrophobicContact CE2-CB 4.49Å; F748-P777 HydrophobicContact CZ-CB 4.03Å; F748-P777 HydrophobicContact CZ-CG 4.45Å |
| 749 | T | 76.4 | Confident | 75.3 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | -178.3 | 176.9 | -169.3 | 0 | 0 | 0 | 0 | 110.2 | C753 E754 V755 I757 | T749-C753 CarbonylContact O-C 3.2Å; T749-C753 VanDerWaalsContact O-C 3.24Å; T749-C753 WeakPolarHBondContact O-CA 3.1Å; T749-E754 PolarHBondContact O-N 3.46Å; T749-V755 HydrophobicContact CG2-CB 3.7Å; T749-V755 HydrophobicContact CG2-CG1 3.73Å; T749-V755 PolarHBondContact N-O 3.22Å; T749-V755 WeakPolarHBondContact O-CA 3.42Å; T749-V755 WeakPolarHBondContact O-CB 3.45Å; T749-V755 PolarHBondContact O-N 2.8Å; T749-I757 HydrophobicContact CG2-CG1 4.14Å |
| 750 | G | 73.5 | Confident | 75.9 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 95.5 | 161.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C744 R752 C753 | C744-G750 PolarHBondContact SG-O 2.99Å; G750-R752 PolarHBondContact O-N 2.98Å; G750-R752 VanDerWaalsContact O-N 3.15Å; G750-C753 PolarHBondContact O-N 3.32Å; G750-C753 VanDerWaalsContact O-N 3.08Å |
| 751 | K | 80.5 | Confident | 75.7 | Confident | 191 Ų | 191 | 72.7 Ų | 72.7 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | -174.9 | -72.2 | -169.1 | 174.7 | -171.5 | 0 | 113.4 | C742 E754 | C742-K751 WeakPolarHBondContact CB-O 3.24Å; K751-E754 PolarHBondContact N-OE2 3.41Å |
| 752 | R | 83.4 | Confident | 75.4 | Confident | 104 Ų | 104 | 76.9 Ų | 76.9 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | 20.8 | 176.3 | -65.2 | 178.4 | -69.4 | -146.9 | 1 | 111.4 | C725 M726 G750 E754 | C725-R752 CarbonylContact C-O 3.44Å; M726-R752 WeakPolarHBondContact CB-O 2.99Å; M726-R752 PolarHBondContact N-O 3.31Å; G750-R752 PolarHBondContact O-N 2.98Å; G750-R752 VanDerWaalsContact O-N 3.15Å; R752-E754 VanDerWaalsContact C-OE2 3.26Å; R752-E754 VanDerWaalsContact CA-OE2 3.28Å; R752-E754 WeakPolarHBondContact CA-OE2 2.97Å; R752-E754 WeakPolarHBondContact CB-OE2 3.46Å; R752-E754 IonicContact CZ-OE1 2.8Å; R752-E754 PolarHBondContact N-OE2 3.37Å; R752-E754 IonicContact NE-OE1 3.06Å; R752-E754 PolarHBondContact NE-OE1 2.66Å; R752-E754 IonicContact NH2-OE1 2.98Å; R752-E754 PolarHBondContact NH2-OE1 2.75Å; R752-E754 PolarHBondContact O-N 3.28Å; R752-E754 VanDerWaalsContact O-N 3.12Å |
| 753 | C | 82.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 56.7 | 25.6 | -176.6 | -45.3 | 0 | 0 | 0 | 0 | 113.4 | M726 N727 C744 F748 T749 G750 | M726-C753 VanDerWaalsContact O-CB 3.3Å; M726-C753 WeakPolarHBondContact O-CB 3.16Å; N727-C753 PolarHBondContact ND2-O 3.24Å; C744-C753 WeakPolarHBondContact CA-SG 2.92Å; C744-C753 HydrophobicContact CB-CB 3.74Å; C744-C753 WeakPolarHBondContact CB-SG 3.41Å; C744-C753 WeakPolarHBondContact SG-CA 3Å; C744-C753 WeakPolarHBondContact SG-CB 3.27Å; C744-C753 CovalentContact SG-SG 2.04Å; C744-C753 PolarHBondContact SG-SG 3.18Å; F748-C753 HydrophobicContact CB-CB 4.26Å; T749-C753 CarbonylContact O-C 3.2Å; T749-C753 VanDerWaalsContact O-C 3.24Å; T749-C753 WeakPolarHBondContact O-CA 3.1Å; G750-C753 PolarHBondContact O-N 3.32Å; G750-C753 VanDerWaalsContact O-N 3.08Å |
| 754 | E | 80.8 | Confident | 75.2 | Confident | 65 Ų | 65 | 81 Ų | 81 | 30% | 0.304 | 43% | 0.425 | S | S | . | . | trans | -80.4 | -20.4 | -176.4 | 66.2 | -91.7 | -112.3 | 0 | 0 | 113.1 | M726 T749 K751 R752 G756 | M726-E754 HydrophobicContact CG-CB 4.35Å; M726-E754 HydrophobicContact SD-CB 3.53Å; M726-E754 VanDerWaalsContact SD-CB 3.53Å; T749-E754 PolarHBondContact O-N 3.46Å; K751-E754 PolarHBondContact N-OE2 3.41Å; R752-E754 VanDerWaalsContact C-OE2 3.26Å; R752-E754 VanDerWaalsContact CA-OE2 3.28Å; R752-E754 WeakPolarHBondContact CA-OE2 2.97Å; R752-E754 WeakPolarHBondContact CB-OE2 3.46Å; R752-E754 IonicContact CZ-OE1 2.8Å; R752-E754 PolarHBondContact N-OE2 3.37Å; R752-E754 IonicContact NE-OE1 3.06Å; R752-E754 PolarHBondContact NE-OE1 2.66Å; R752-E754 IonicContact NH2-OE1 2.98Å; R752-E754 PolarHBondContact NH2-OE1 2.75Å; R752-E754 PolarHBondContact O-N 3.28Å; R752-E754 VanDerWaalsContact O-N 3.12Å; E754-G756 PolarHBondContact O-N 2.95Å | ||
| 755 | V | 72.7 | Confident | 75.6 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 103.9 | -177.3 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | F748 T749 I757 | F748-V755 CarbonylContact C-O 3.47Å; F748-V755 WeakPolarHBondContact CA-O 3.13Å; T749-V755 HydrophobicContact CG2-CB 3.7Å; T749-V755 HydrophobicContact CG2-CG1 3.73Å; T749-V755 PolarHBondContact N-O 3.22Å; T749-V755 WeakPolarHBondContact O-CA 3.42Å; T749-V755 WeakPolarHBondContact O-CB 3.45Å; T749-V755 PolarHBondContact O-N 2.8Å; V755-I757 PolarHBondContact O-N 3.38Å |
| 756 | G | 60.9 | Low | 75.9 | Confident | 40 Ų | 40 | 79.2 Ų | 79.2 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 131.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E754 D758 | E754-G756 PolarHBondContact O-N 2.95Å; G756-D758 PolarHBondContact O-N 2.84Å |
| 757 | I | 64 | Low | 76.4 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 43% | 0.431 | 39% | 0.394 | S | S | . | . | trans | -65.7 | 116.9 | 168.7 | -63.4 | 169.1 | 0 | 0 | 0 | 106.4 | P747 T749 V755 P759 | P747-I757 HydrophobicContact CB-CB 4.39Å; P747-I757 HydrophobicContact CB-CD1 4.33Å; P747-I757 WeakPolarHBondContact O-CB 3.43Å; P747-I757 VanDerWaalsContact O-CG1 3.29Å; P747-I757 WeakPolarHBondContact O-CG1 3Å; P747-I757 PolarHBondContact O-N 3.06Å; T749-I757 HydrophobicContact CG2-CG1 4.14Å; V755-I757 PolarHBondContact O-N 3.38Å; I757-P759 WeakPolarHBondContact O-CD 3.42Å; I757-P759 VanDerWaalsContact O-N 3.13Å | ||
| 758 | D | 64.6 | Low | 76.9 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | trans | -63.8 | 111 | 174.9 | 177.8 | 1.9 | 0 | 0 | 0 | 108.3 | G756 C760 V761 | G756-D758 PolarHBondContact O-N 2.84Å; D758-C760 PolarHBondContact O-N 2.85Å; D758-C760 VanDerWaalsContact OD1-CB 3.26Å; D758-C760 WeakPolarHBondContact OD1-CB 3.35Å; D758-C760 PolarHBondContact OD1-N 2.06Å; D758-V761 HydrophobicContact CB-CG2 3.82Å; D758-V761 PolarHBondContact O-N 3.16Å; D758-V761 VanDerWaalsContact O-N 3.16Å | ||
| 759 | P | 68.7 | Low | 77.3 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -7.2 | -177.2 | 30.9 | -34.9 | 0 | 0 | 0 | 112.2 | I757 A773 D779 Y780 | I757-P759 WeakPolarHBondContact O-CD 3.42Å; I757-P759 VanDerWaalsContact O-N 3.13Å; P759-A773 HydrophobicContact CG-CB 4.42Å; P759-D779 VanDerWaalsContact CG-O 3.26Å; P759-D779 WeakPolarHBondContact CG-O 3.4Å; P759-Y780 HydrophobicContact CB-CD1 4.08Å; P759-Y780 WeakPolarHBondContact O-CD1 3.38Å |
| 760 | C | 78.2 | Confident | 77.8 | Confident | 25 Ų | 25 | 77 Ų | 77 | 17% | 0.169 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.2 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 115.3 | D758 D762 H763 C771 | D758-C760 PolarHBondContact O-N 2.85Å; D758-C760 VanDerWaalsContact OD1-CB 3.26Å; D758-C760 WeakPolarHBondContact OD1-CB 3.35Å; D758-C760 PolarHBondContact OD1-N 2.06Å; C760-D762 VanDerWaalsContact C-N 3.31Å; C760-D762 PolarHBondContact O-N 2.94Å; C760-H763 PolarHBondContact O-CD2 2.73Å; C760-C771 WeakPolarHBondContact CA-SG 3.35Å; C760-C771 HydrophobicContact CB-CB 3.67Å; C760-C771 WeakPolarHBondContact CB-SG 3.2Å; C760-C771 WeakPolarHBondContact SG-CB 3.46Å; C760-C771 PolarHBondContact SG-O 3.08Å; C760-C771 CovalentContact SG-SG 2.04Å; C760-C771 PolarHBondContact SG-SG 3.04Å |
| 761 | V | 74.5 | Confident | 78.4 | Confident | 118 Ų | 118 | 76.4 Ų | 76.4 | 72% | 0.715 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.5 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 113 | D758 | D758-V761 HydrophobicContact CB-CG2 3.82Å; D758-V761 PolarHBondContact O-N 3.16Å; D758-V761 VanDerWaalsContact O-N 3.16Å |
| 762 | D | 75.1 | Confident | 78.6 | Confident | 157 Ų | 157 | 69.4 Ų | 69.4 | 84% | 0.84 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 46.1 | 177.1 | -152.9 | 11.6 | 0 | 0 | 0 | 111.6 | C760 | C760-D762 VanDerWaalsContact C-N 3.31Å; C760-D762 PolarHBondContact O-N 2.94Å |
| 763 | H | 80.6 | Confident | 78.3 | Confident | 69 Ų | 69 | 68 Ų | 68 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | trans | -75.3 | 154.3 | -174.9 | 66 | 56.3 | 0 | 0 | 0 | 113.4 | C760 C765 C771 Y780 | C760-H763 PolarHBondContact O-CD2 2.73Å; H763-C765 WeakPolarHBondContact ND1-CB 3.4Å; H763-C765 PolarHBondContact ND1-N 3.28Å; H763-C771 HydrophobicContact CB-CB 4.25Å; H763-C771 WeakPolarHBondContact CD2-CB 3.31Å; H763-Y780 HydrophobicContact CB-CD2 3.92Å; H763-Y780 HydrophobicContact CB-CE2 3.6Å | ||
| 764 | K | 87.3 | Confident | 77.8 | Confident | 138 Ų | 138 | 68.7 Ų | 68.7 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | trans | -88.4 | 2.8 | 176 | -66.2 | -171.2 | -179.9 | -171.6 | 0 | 115 | K766 Y780 W792 | K764-K766 PolarHBondContact O-N 2.75Å; K764-Y780 WeakPolarHBondContact CB-OH 3.31Å; K764-Y780 PolarHBondContact N-OH 2.99Å; K764-W792 HydrophobicContact CB-CD2 3.95Å; K764-W792 HydrophobicContact CB-CE3 3.62Å; K764-W792 HydrophobicContact CB-CH2 4.49Å; K764-W792 HydrophobicContact CB-CZ3 3.94Å; K764-W792 HydrophobicContact CD-CH2 4.45Å; K764-W792 HydrophobicContact CD-CZ2 4.43Å | ||
| 765 | C | 87.7 | Confident | 77.3 | Confident | 16 Ų | 16 | 75.7 Ų | 75.7 | 11% | 0.108 | 44% | 0.435 | C | S | . | . | trans | -56.3 | 132.9 | 179.8 | -51 | 0 | 0 | 0 | 0 | 112.1 | H763 A769 C782 | H763-C765 WeakPolarHBondContact ND1-CB 3.4Å; H763-C765 PolarHBondContact ND1-N 3.28Å; C765-A769 HydrophobicContact CB-CB 4.11Å; C765-C782 WeakPolarHBondContact CA-SG 3.01Å; C765-C782 HydrophobicContact CB-CB 3.74Å; C765-C782 WeakPolarHBondContact CB-SG 3.41Å; C765-C782 VanDerWaalsContact SG-CA 3.54Å; C765-C782 WeakPolarHBondContact SG-CB 3.44Å; C765-C782 CovalentContact SG-SG 2.02Å; C765-C782 PolarHBondContact SG-SG 2.8Å | ||
| 766 | K | 85.1 | Confident | 76.6 | Confident | 127 Ų | 127 | 79.6 Ų | 79.6 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | trans | -109.6 | 174.4 | -179 | -62.7 | -73.7 | -179.8 | 175.2 | 0 | 110.7 | K764 G768 A769 W792 D794 | K764-K766 PolarHBondContact O-N 2.75Å; K766-G768 VanDerWaalsContact C-N 3.27Å; K766-G768 PolarHBondContact O-N 3.26Å; K766-G768 VanDerWaalsContact O-N 3.11Å; K766-A769 VanDerWaalsContact O-CB 3.26Å; K766-A769 WeakPolarHBondContact O-CB 3.32Å; K766-A769 PolarHBondContact O-N 3.38Å; K766-W792 WeakPolarHBondContact CB-O 3.24Å; K766-W792 PolarHBondContact N-O 3.47Å; K766-D794 HydrophobicContact CG-CB 4.44Å | ||
| 767 | N | 82.7 | Confident | 76.4 | Confident | 80 Ų | 80 | 82.2 Ų | 82.2 | 43% | 0.428 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.8 | 169.8 | -58.9 | -35.6 | 0 | 0 | 0 | 115.7 | A769 P785 F788 C793 | N767-A769 VanDerWaalsContact C-N 3.28Å; N767-A769 PolarHBondContact O-N 3.3Å; N767-P785 WeakPolarHBondContact O-CG 3.34Å; N767-F788 HydrophobicContact CB-CD1 3.73Å; N767-F788 HydrophobicContact CB-CD2 3.84Å; N767-F788 HydrophobicContact CB-CE1 3.79Å; N767-F788 HydrophobicContact CB-CE2 3.9Å; N767-F788 HydrophobicContact CB-CG 3.75Å; N767-F788 HydrophobicContact CB-CZ 3.87Å; N767-F788 VanDerWaalsContact CG-CE1 3.46Å; N767-F788 WeakPolarHBondContact ND2-CD1 3.47Å; N767-F788 VanDerWaalsContact ND2-CE1 3.33Å; N767-F788 WeakPolarHBondContact ND2-CE1 3.25Å; N767-C793 PolarHBondContact ND2-O 2.04Å |
| 768 | G | 80.1 | Confident | 76.4 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K766 | K766-G768 VanDerWaalsContact C-N 3.27Å; K766-G768 PolarHBondContact O-N 3.26Å; K766-G768 VanDerWaalsContact O-N 3.11Å |
| 769 | A | 83.9 | Confident | 76.9 | Confident | 10 Ų | 10 | 79.7 Ų | 79.7 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 139.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C765 K766 N767 C782 Q783 C793 | C765-A769 HydrophobicContact CB-CB 4.11Å; K766-A769 VanDerWaalsContact O-CB 3.26Å; K766-A769 WeakPolarHBondContact O-CB 3.32Å; K766-A769 PolarHBondContact O-N 3.38Å; N767-A769 VanDerWaalsContact C-N 3.28Å; N767-A769 PolarHBondContact O-N 3.3Å; A769-C782 HydrophobicContact CB-CB 4.26Å; A769-Q783 WeakPolarHBondContact CA-O 3.14Å; A769-Q783 WeakPolarHBondContact CB-O 3.46Å; A769-C793 HydrophobicContact CB-CB 3.54Å; A769-C793 WeakPolarHBondContact CB-SG 3.45Å |
| 770 | N | 86.6 | Confident | 77.5 | Confident | 101 Ų | 101 | 80.6 Ų | 80.6 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.3 | -179 | -169.7 | 30.7 | 0 | 0 | 0 | 109.9 | Q783 | N770-Q783 HydrophobicContact CB-CB 4.27Å; N770-Q783 PolarHBondContact N-O 2.93Å; N770-Q783 WeakPolarHBondContact O-CB 3.04Å; N770-Q783 PolarHBondContact O-N 3.4Å |
| 771 | C | 86.9 | Confident | 77.7 | Confident | 16 Ų | 16 | 83.7 Ų | 83.7 | 11% | 0.108 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.3 | 178.6 | 179 | 0 | 0 | 0 | 0 | 110.8 | C760 H763 | C760-C771 WeakPolarHBondContact CA-SG 3.35Å; C760-C771 HydrophobicContact CB-CB 3.67Å; C760-C771 WeakPolarHBondContact CB-SG 3.2Å; C760-C771 WeakPolarHBondContact SG-CB 3.46Å; C760-C771 PolarHBondContact SG-O 3.08Å; C760-C771 CovalentContact SG-SG 2.04Å; C760-C771 PolarHBondContact SG-SG 3.04Å; H763-C771 HydrophobicContact CB-CB 4.25Å; H763-C771 WeakPolarHBondContact CD2-CB 3.31Å |
| 772 | T | 84.4 | Confident | 78.3 | Confident | 44 Ų | 44 | 78.7 Ų | 78.7 | 27% | 0.27 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.7 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | G774 Y780 I781 Q783 | T772-G774 PolarHBondContact O-N 3.32Å; T772-Y780 CarbonylContact O-C 3.28Å; T772-Y780 VanDerWaalsContact O-CA 3.28Å; T772-Y780 WeakPolarHBondContact O-CA 3.1Å; T772-I781 PolarHBondContact N-O 3.3Å; T772-I781 PolarHBondContact O-N 3.29Å; T772-I781 PolarHBondContact OG1-O 2.91Å; T772-Q783 HydrophobicContact CG2-CG 4.22Å |
| 773 | A | 76.3 | Confident | 78.9 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 135 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | P759 | P759-A773 HydrophobicContact CG-CB 4.42Å |
| 774 | G | 72.5 | Confident | 79 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | trans | -76.8 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T772 K776 D779 | T772-G774 PolarHBondContact O-N 3.32Å; G774-K776 PolarHBondContact O-N 3.34Å; G774-D779 PolarHBondContact N-O 2.73Å | ||
| 775 | K | 71.2 | Confident | 78.5 | Confident | 213 Ų | 213 | 70.9 Ų | 70.9 | 93% | 0.926 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -66.1 | -19.3 | -179.2 | -77.7 | -174.8 | 177.5 | -179.7 | 0 | 114 | ||
| 776 | K | 57.2 | Low | 77.8 | Confident | 154 Ų | 154 | 76.4 Ų | 76.4 | 67% | 0.67 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -109.1 | 143.1 | 178.3 | -68.6 | -176 | 179.2 | -178.3 | 0 | 110.2 | G774 G778 D779 | G774-K776 PolarHBondContact O-N 3.34Å; K776-G778 PolarHBondContact O-N 2.03Å; K776-D779 HydrophobicContact CB-CB 4.19Å; K776-D779 VanDerWaalsContact O-CB 3.3Å; K776-D779 WeakPolarHBondContact O-CB 3.31Å; K776-D779 PolarHBondContact O-N 3.06Å |
| 777 | P | 56.4 | Low | 77 | Confident | 94 Ų | 94 | 70.5 Ų | 70.5 | 61% | 0.61 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 127.5 | 173.7 | -21.9 | 31.9 | 0 | 0 | 0 | 110.9 | P747 F748 | P747-P777 HydrophobicContact CG-CB 4.16Å; F748-P777 HydrophobicContact CE2-CB 4.49Å; F748-P777 HydrophobicContact CZ-CB 4.03Å; F748-P777 HydrophobicContact CZ-CG 4.45Å |
| 778 | G | 64.3 | Low | 76.9 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -5.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | K776 | K776-G778 PolarHBondContact O-N 2.03Š|
| 779 | D | 74.4 | Confident | 76.8 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | trans | -89.1 | 154.5 | 174.2 | -165.5 | 20.7 | 0 | 0 | 0 | 111.1 | P759 G774 K776 | P759-D779 VanDerWaalsContact CG-O 3.26Å; P759-D779 WeakPolarHBondContact CG-O 3.4Å; G774-D779 PolarHBondContact N-O 2.73Å; K776-D779 HydrophobicContact CB-CB 4.19Å; K776-D779 VanDerWaalsContact O-CB 3.3Å; K776-D779 WeakPolarHBondContact O-CB 3.31Å; K776-D779 PolarHBondContact O-N 3.06Å | ||
| 780 | Y | 81.3 | Confident | 76.5 | Confident | 44 Ų | 44 | 69 Ų | 69 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.8 | 175.5 | 66.2 | -86.9 | 0 | 0 | 0 | 113 | P759 H763 K764 T772 W792 | P759-Y780 HydrophobicContact CB-CD1 4.08Å; P759-Y780 WeakPolarHBondContact O-CD1 3.38Å; H763-Y780 HydrophobicContact CB-CD2 3.92Å; H763-Y780 HydrophobicContact CB-CE2 3.6Å; K764-Y780 WeakPolarHBondContact CB-OH 3.31Å; K764-Y780 PolarHBondContact N-OH 2.99Å; T772-Y780 CarbonylContact O-C 3.28Å; T772-Y780 VanDerWaalsContact O-CA 3.28Å; T772-Y780 WeakPolarHBondContact O-CA 3.1Å; Y780-W792 HydrophobicContact CE2-CE3 4.13Å; Y780-W792 AromaticContact CE2-CZ3 3.61Å; Y780-W792 HydrophobicContact CE2-CZ3 3.61Å; Y780-W792 AromaticContact CZ-CZ3 3.58Å; Y780-W792 WeakPolarHBondContact OH-CZ3 3.24Å |
| 781 | I | 83.1 | Confident | 76.4 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.3 | -179.2 | -60.5 | 171 | 0 | 0 | 0 | 108.3 | T772 | T772-I781 PolarHBondContact N-O 3.3Å; T772-I781 PolarHBondContact O-N 3.29Å; T772-I781 PolarHBondContact OG1-O 2.91Å |
| 782 | C | 87 | Confident | 76.4 | Confident | 13 Ų | 13 | 74 Ų | 74 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.6 | 172.3 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | C765 A769 C784 C793 | C765-C782 WeakPolarHBondContact CA-SG 3.01Å; C765-C782 HydrophobicContact CB-CB 3.74Å; C765-C782 WeakPolarHBondContact CB-SG 3.41Å; C765-C782 VanDerWaalsContact SG-CA 3.54Å; C765-C782 WeakPolarHBondContact SG-CB 3.44Å; C765-C782 CovalentContact SG-SG 2.02Å; C765-C782 PolarHBondContact SG-SG 2.8Å; A769-C782 HydrophobicContact CB-CB 4.26Å; C782-C784 PolarHBondContact O-N 3.16Å; C782-C793 WeakPolarHBondContact CB-SG 3.06Å |
| 783 | Q | 87.6 | Confident | 76.4 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 103 | 170.3 | -67.6 | -179.6 | -23.3 | 0 | 0 | 109.2 | A769 N770 T772 | A769-Q783 WeakPolarHBondContact CA-O 3.14Å; A769-Q783 WeakPolarHBondContact CB-O 3.46Å; N770-Q783 HydrophobicContact CB-CB 4.27Å; N770-Q783 PolarHBondContact N-O 2.93Å; N770-Q783 WeakPolarHBondContact O-CB 3.04Å; N770-Q783 PolarHBondContact O-N 3.4Å; T772-Q783 HydrophobicContact CG2-CG 4.22Å |
| 784 | C | 82.5 | Confident | 76.9 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | trans | -72.2 | 137.8 | -175.8 | -50.9 | 0 | 0 | 0 | 0 | 112 | C782 F788 C793 | C782-C784 PolarHBondContact O-N 3.16Å; C784-F788 HydrophobicContact CB-CB 4.31Å; C784-F788 WeakPolarHBondContact CB-O 3.39Å; C784-C793 WeakPolarHBondContact CA-SG 3.43Å; C784-C793 HydrophobicContact CB-CB 3.65Å; C784-C793 WeakPolarHBondContact CB-SG 3.31Å; C784-C793 PolarHBondContact N-SG 2.75Å; C784-C793 VanDerWaalsContact N-SG 3.39Å; C784-C793 WeakPolarHBondContact SG-CA 3.42Å; C784-C793 WeakPolarHBondContact SG-CB 3.37Å; C784-C793 CovalentContact SG-SG 2.03Å; C784-C793 PolarHBondContact SG-SG 3.26Å | ||
| 785 | P | 77.9 | Confident | 77 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | trans | -63.7 | 162.2 | 171.6 | 4.8 | 1.3 | 0 | 0 | 0 | 111.4 | N767 A787 F788 | N767-P785 WeakPolarHBondContact O-CG 3.34Å; P785-A787 PolarHBondContact O-N 3.23Å; P785-F788 HydrophobicContact CG-CD2 4.01Å; P785-F788 PolarHBondContact O-N 2.8Å | ||
| 786 | V | 73.6 | Confident | 76.8 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 80% | 0.8 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 77.8 | 179.7 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 787 | A | 67.2 | Low | 76.9 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 161.4 | -3.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P785 E796 I797 P817 | P785-A787 PolarHBondContact O-N 3.23Å; A787-E796 CarbonylContact O-C 3.52Å; A787-E796 WeakPolarHBondContact O-CA 3.46Å; A787-I797 PolarHBondContact O-N 3.07Å; A787-P817 HydrophobicContact CB-CB 3.45Å; A787-P817 VanDerWaalsContact CB-CB 3.45Å |
| 788 | F | 80 | Confident | 76.9 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.9 | -179.2 | -59.6 | -84.6 | 0 | 0 | 0 | 111.7 | N767 C784 P785 C793 V795 E796 I797 | N767-F788 HydrophobicContact CB-CD1 3.73Å; N767-F788 HydrophobicContact CB-CD2 3.84Å; N767-F788 HydrophobicContact CB-CE1 3.79Å; N767-F788 HydrophobicContact CB-CE2 3.9Å; N767-F788 HydrophobicContact CB-CG 3.75Å; N767-F788 HydrophobicContact CB-CZ 3.87Å; N767-F788 VanDerWaalsContact CG-CE1 3.46Å; N767-F788 WeakPolarHBondContact ND2-CD1 3.47Å; N767-F788 VanDerWaalsContact ND2-CE1 3.33Å; N767-F788 WeakPolarHBondContact ND2-CE1 3.25Å; C784-F788 HydrophobicContact CB-CB 4.31Å; C784-F788 WeakPolarHBondContact CB-O 3.39Å; P785-F788 HydrophobicContact CG-CD2 4.01Å; P785-F788 PolarHBondContact O-N 2.8Å; F788-C793 HydrophobicContact CB-CB 4.28Å; F788-V795 CarbonylContact C-O 3.52Å; F788-V795 WeakPolarHBondContact CA-O 3.45Å; F788-E796 HydrophobicContact CD1-CB 4.43Å; F788-E796 HydrophobicContact CD1-CG 4.38Å; F788-E796 HydrophobicContact CE1-CB 4.42Å; F788-E796 HydrophobicContact CE1-CG 4.09Å; F788-I797 WeakPolarHBondContact O-CD1 3.38Å |
| 789 | T | 79.7 | Confident | 76.5 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | -174.2 | 178 | -168.9 | 0 | 0 | 0 | 0 | 108.9 | C793 D794 V795 I797 | T789-C793 CarbonylContact O-C 3.51Å; T789-C793 VanDerWaalsContact O-C 3.3Å; T789-C793 WeakPolarHBondContact O-CA 3.43Å; T789-D794 PolarHBondContact O-N 3.1Å; T789-V795 HydrophobicContact CG2-CB 3.68Å; T789-V795 HydrophobicContact CG2-CG1 3.67Å; T789-V795 PolarHBondContact N-O 3.08Å; T789-V795 WeakPolarHBondContact O-CB 3.29Å; T789-V795 PolarHBondContact O-N 3.06Å; T789-I797 HydrophobicContact CG2-CG1 3.76Å |
| 790 | G | 77.3 | Confident | 76 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 89.8 | 158.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W792 C793 | G790-W792 PolarHBondContact O-N 3.31Å; G790-W792 VanDerWaalsContact O-N 3.14Å; G790-C793 PolarHBondContact O-N 3.16Å |
| 791 | K | 83.1 | Confident | 74.9 | Confident | 150 Ų | 150 | 70.1 Ų | 70.1 | 65% | 0.652 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.9 | -175.2 | -177.8 | 177 | 177.8 | 179 | 0 | 112.5 | ||
| 792 | W | 87.9 | Confident | 73.7 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 27% | 0.265 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 11.6 | -179 | -43.4 | 112.5 | 0 | 0 | 0 | 112 | K764 K766 Y780 G790 D794 | K764-W792 HydrophobicContact CB-CD2 3.95Å; K764-W792 HydrophobicContact CB-CE3 3.62Å; K764-W792 HydrophobicContact CB-CH2 4.49Å; K764-W792 HydrophobicContact CB-CZ3 3.94Å; K764-W792 HydrophobicContact CD-CH2 4.45Å; K764-W792 HydrophobicContact CD-CZ2 4.43Å; K766-W792 WeakPolarHBondContact CB-O 3.24Å; K766-W792 PolarHBondContact N-O 3.47Å; Y780-W792 HydrophobicContact CE2-CE3 4.13Å; Y780-W792 AromaticContact CE2-CZ3 3.61Å; Y780-W792 HydrophobicContact CE2-CZ3 3.61Å; Y780-W792 AromaticContact CZ-CZ3 3.58Å; Y780-W792 WeakPolarHBondContact OH-CZ3 3.24Å; G790-W792 PolarHBondContact O-N 3.31Å; G790-W792 VanDerWaalsContact O-N 3.14Å; W792-D794 HydrophobicContact CB-CB 4.45Å; W792-D794 PolarHBondContact O-N 3.39Å |
| 793 | C | 84.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 58.5 | 34.5 | -173.5 | -50.1 | 0 | 0 | 0 | 0 | 113.5 | N767 A769 C782 C784 F788 T789 G790 | N767-C793 PolarHBondContact ND2-O 2.04Å; A769-C793 HydrophobicContact CB-CB 3.54Å; A769-C793 WeakPolarHBondContact CB-SG 3.45Å; C782-C793 WeakPolarHBondContact CB-SG 3.06Å; C784-C793 WeakPolarHBondContact CA-SG 3.43Å; C784-C793 HydrophobicContact CB-CB 3.65Å; C784-C793 WeakPolarHBondContact CB-SG 3.31Å; C784-C793 PolarHBondContact N-SG 2.75Å; C784-C793 VanDerWaalsContact N-SG 3.39Å; C784-C793 WeakPolarHBondContact SG-CA 3.42Å; C784-C793 WeakPolarHBondContact SG-CB 3.37Å; C784-C793 CovalentContact SG-SG 2.03Å; C784-C793 PolarHBondContact SG-SG 3.26Å; F788-C793 HydrophobicContact CB-CB 4.28Å; T789-C793 CarbonylContact O-C 3.51Å; T789-C793 VanDerWaalsContact O-C 3.3Å; T789-C793 WeakPolarHBondContact O-CA 3.43Å; G790-C793 PolarHBondContact O-N 3.16Å |
| 794 | D | 85.2 | Confident | 71.6 | Confident | 89 Ų | 89 | 74 Ų | 74 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | trans | -94.6 | -5.9 | -175.6 | 52.3 | -27.9 | 0 | 0 | 0 | 113.8 | K766 T789 W792 | K766-D794 HydrophobicContact CG-CB 4.44Å; T789-D794 PolarHBondContact O-N 3.1Å; W792-D794 HydrophobicContact CB-CB 4.45Å; W792-D794 PolarHBondContact O-N 3.39Å | ||
| 795 | V | 75.6 | Confident | 71.5 | Confident | 72 Ų | 72 | 73 Ų | 73 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.1 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | F788 T789 | F788-V795 CarbonylContact C-O 3.52Å; F788-V795 WeakPolarHBondContact CA-O 3.45Å; T789-V795 HydrophobicContact CG2-CB 3.68Å; T789-V795 HydrophobicContact CG2-CG1 3.67Å; T789-V795 PolarHBondContact N-O 3.08Å; T789-V795 WeakPolarHBondContact O-CB 3.29Å; T789-V795 PolarHBondContact O-N 3.06Å |
| 796 | E | 66.1 | Low | 71.8 | Confident | 119 Ų | 119 | 73.5 Ų | 73.5 | 56% | 0.556 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.2 | 176.9 | -156 | 170.7 | -164.3 | 0 | 0 | 110.5 | A787 F788 V798 | A787-E796 CarbonylContact O-C 3.52Å; A787-E796 WeakPolarHBondContact O-CA 3.46Å; F788-E796 HydrophobicContact CD1-CB 4.43Å; F788-E796 HydrophobicContact CD1-CG 4.38Å; F788-E796 HydrophobicContact CE1-CB 4.42Å; F788-E796 HydrophobicContact CE1-CG 4.09Å; E796-V798 PolarHBondContact O-N 3.17Å |
| 797 | I | 59.9 | Low | 72.2 | Confident | 66 Ų | 66 | 71 Ų | 71 | 34% | 0.338 | 39% | 0.389 | S | S | . | . | trans | -73.4 | 106.7 | 173.2 | -62.3 | 172.9 | 0 | 0 | 0 | 108 | A787 F788 T789 L799 | A787-I797 PolarHBondContact O-N 3.07Å; F788-I797 WeakPolarHBondContact O-CD1 3.38Å; T789-I797 HydrophobicContact CG2-CG1 3.76Å; I797-L799 HydrophobicContact CG2-CD1 4.4Å; I797-L799 HydrophobicContact CG2-CG 4.12Å; I797-L799 PolarHBondContact O-N 3.22Å | ||
| 798 | V | 57 | Low | 72.8 | Confident | 74 Ų | 74 | 74.1 Ų | 74.1 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | trans | -75.6 | 108.2 | 159.7 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | E796 C800 A813 | E796-V798 PolarHBondContact O-N 3.17Å; V798-C800 PolarHBondContact O-N 3.5Å; V798-A813 HydrophobicContact CG1-CB 4Å; V798-A813 HydrophobicContact CG2-CB 4.15Å | ||
| 799 | L | 55.1 | Low | 72.9 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | trans | -73.6 | 70.3 | -177.6 | -104.8 | 134.7 | 0 | 0 | 0 | 111.9 | I797 G818 Y820 | I797-L799 HydrophobicContact CG2-CD1 4.4Å; I797-L799 HydrophobicContact CG2-CG 4.12Å; I797-L799 PolarHBondContact O-N 3.22Å; L799-G818 WeakPolarHBondContact CD1-O 3.32Å; L799-Y820 WeakPolarHBondContact O-CB 3.27Å | ||
| 800 | C | 64.7 | Low | 73.1 | Confident | 46 Ų | 46 | 75.1 Ų | 75.1 | 31% | 0.311 | 43% | 0.429 | S | S | . | . | trans | -104.2 | 6.1 | 173.9 | -68.7 | 0 | 0 | 0 | 0 | 114.4 | V798 C811 | V798-C800 PolarHBondContact O-N 3.5Å; C800-C811 WeakPolarHBondContact CA-SG 3.37Å; C800-C811 HydrophobicContact CB-CB 3.67Å; C800-C811 WeakPolarHBondContact CB-SG 3.22Å; C800-C811 WeakPolarHBondContact SG-CB 3.33Å; C800-C811 PolarHBondContact SG-O 2.03Å; C800-C811 VanDerWaalsContact SG-O 3.37Å; C800-C811 CovalentContact SG-SG 2.04Å; C800-C811 PolarHBondContact SG-SG 3.19Å | ||
| 801 | I | 57.1 | Low | 73.3 | Confident | 163 Ų | 163 | 75 Ų | 75 | 84% | 0.836 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -97.7 | 110.8 | 178.6 | -54 | 174.7 | 0 | 0 | 0 | 108.1 | ||
| 802 | G | 59.4 | Low | 73 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 76% | 0.763 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 101.8 | -17.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 803 | H | 60.8 | Low | 72.1 | Confident | 81 Ų | 81 | 69.5 Ų | 69.5 | 38% | 0.375 | 42% | 0.415 | S | S | . | . | trans | -93.9 | 115.9 | 176.4 | -69.3 | -66.1 | 0 | 0 | 0 | 111.2 | Y820 | H803-Y820 HydrophobicContact CB-CD1 3.77Å; H803-Y820 HydrophobicContact CB-CD2 3.79Å; H803-Y820 HydrophobicContact CB-CE1 3.6Å; H803-Y820 HydrophobicContact CB-CE2 3.6Å; H803-Y820 HydrophobicContact CB-CG 3.88Å; H803-Y820 AromaticContact CD2-CD1 3.5Å; H803-Y820 AromaticContact CD2-CE1 3.7Å; H803-Y820 AromaticContact CE1-CE1 3.65Å; H803-Y820 AromaticContact CG-CD1 3.42Å; H803-Y820 VanDerWaalsContact CG-CD1 3.42Å; H803-Y820 AromaticContact CG-CE1 3.2Å; H803-Y820 AromaticContact CG-CZ 3.62Å; H803-Y820 AromaticContact ND1-CD1 3.84Å; H803-Y820 AromaticContact ND1-CE1 3.18Å; H803-Y820 WeakPolarHBondContact ND1-CE1 3.18Å; H803-Y820 AromaticContact ND1-CZ 3.62Å; H803-Y820 AromaticContact NE2-CD1 3.97Å; H803-Y820 AromaticContact NE2-CE1 3.97Å | ||
| 804 | Q | 69.8 | Low | 71.3 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 63% | 0.631 | 43% | 0.425 | S | S | * | . | trans | -90.6 | 105.4 | -177.6 | -69.9 | -179.7 | 7.5 | 0 | 0 | 111.6 | R832 | Q804-R832 PolarHBondContact O-NE 3.42Å; Q804-R832 PolarHBondContact O-NH2 3.32Å | ||
| 805 | C | 80.1 | Confident | 70.6 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 16% | 0.162 | 45% | 0.446 | C | S | . | . | trans | -69.6 | 123.6 | 156.2 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | G809 C822 | C805-G809 WeakPolarHBondContact CB-O 3.15Å; C805-C822 WeakPolarHBondContact CA-SG 3.3Å; C805-C822 HydrophobicContact CB-CB 3.77Å; C805-C822 WeakPolarHBondContact CB-SG 3.42Å; C805-C822 WeakPolarHBondContact SG-CA 3.03Å; C805-C822 WeakPolarHBondContact SG-CB 3.2Å; C805-C822 CovalentContact SG-SG 2.03Å; C805-C822 PolarHBondContact SG-SG 2.02Å | ||
| 806 | L | 83.2 | Confident | 69.6 | Low | 60 Ų | 60 | 79.1 Ų | 79.1 | 31% | 0.314 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -83.1 | 172 | 179.2 | -59.5 | 168 | 0 | 0 | 0 | 110.4 | G808 G809 R832 C833 E834 | L806-G808 PolarHBondContact O-N 3.16Å; L806-G809 PolarHBondContact O-N 2.92Å; L806-R832 WeakPolarHBondContact CA-O 3.39Å; L806-R832 VanDerWaalsContact CB-O 3.22Å; L806-R832 WeakPolarHBondContact CB-O 3.01Å; L806-R832 HydrophobicContact CD1-CB 4.48Å; L806-R832 PolarHBondContact N-O 3.36Å; L806-C833 VanDerWaalsContact O-CB 3.26Å; L806-C833 WeakPolarHBondContact O-CB 3.04Å; L806-E834 HydrophobicContact CD1-CB 3.9Å |
| 807 | N | 82.6 | Confident | 69 | Low | 81 Ų | 81 | 77.7 Ų | 77.7 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.5 | 171.8 | -61.4 | -38.6 | 0 | 0 | 0 | 115.6 | P825 F828 C833 | N807-P825 WeakPolarHBondContact O-CG 3.45Å; N807-F828 HydrophobicContact CB-CB 4.23Å; N807-F828 HydrophobicContact CB-CD1 3.59Å; N807-F828 HydrophobicContact CB-CD2 3.63Å; N807-F828 HydrophobicContact CB-CE1 3.74Å; N807-F828 HydrophobicContact CB-CE2 3.79Å; N807-F828 HydrophobicContact CB-CG 3.53Å; N807-F828 HydrophobicContact CB-CZ 3.83Å; N807-F828 VanDerWaalsContact CG-CE1 3.46Å; N807-F828 VanDerWaalsContact ND2-CD1 3.29Å; N807-F828 WeakPolarHBondContact ND2-CD1 3.04Å; N807-F828 WeakPolarHBondContact ND2-CE1 3.03Å; N807-C833 PolarHBondContact ND2-O 3.2Å |
| 808 | G | 79.9 | Confident | 68.9 | Low | 67 Ų | 67 | 76.1 Ų | 76.1 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 14.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L806 | L806-G808 PolarHBondContact O-N 3.16Š|
| 809 | G | 82.8 | Confident | 69.4 | Low | 14 Ų | 14 | 77.4 Ų | 77.4 | 14% | 0.144 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -58 | 134.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C805 L806 V823 | C805-G809 WeakPolarHBondContact CB-O 3.15Å; L806-G809 PolarHBondContact O-N 2.92Å; G809-V823 CarbonylContact C-O 3.44Å; G809-V823 VanDerWaalsContact CA-O 3.28Å; G809-V823 WeakPolarHBondContact CA-O 3.33Å |
| 810 | N | 82.6 | Confident | 70.2 | Confident | 115 Ų | 115 | 77.9 Ų | 77.9 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.4 | 177.1 | -158.5 | 22.1 | 0 | 0 | 0 | 109.6 | V823 | N810-V823 HydrophobicContact CB-CB 4.43Å; N810-V823 PolarHBondContact N-O 3.09Å; N810-V823 PolarHBondContact O-N 3.27Å |
| 811 | C | 81 | Confident | 70.8 | Confident | 27 Ų | 27 | 77.6 Ų | 77.6 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.9 | -179.1 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | C800 | C800-C811 WeakPolarHBondContact CA-SG 3.37Å; C800-C811 HydrophobicContact CB-CB 3.67Å; C800-C811 WeakPolarHBondContact CB-SG 3.22Å; C800-C811 WeakPolarHBondContact SG-CB 3.33Å; C800-C811 PolarHBondContact SG-O 2.03Å; C800-C811 VanDerWaalsContact SG-O 3.37Å; C800-C811 CovalentContact SG-SG 2.04Å; C800-C811 PolarHBondContact SG-SG 3.19Å |
| 812 | T | 78.1 | Confident | 71.9 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 166.8 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | Y820 A821 V823 | T812-Y820 CarbonylContact O-C 3.44Å; T812-Y820 WeakPolarHBondContact O-CA 3.44Å; T812-A821 PolarHBondContact N-O 3.15Å; T812-A821 PolarHBondContact O-N 2.88Å; T812-A821 PolarHBondContact OG1-O 3.15Å; T812-V823 HydrophobicContact CG2-CG2 3.63Å |
| 813 | A | 68.9 | Low | 73.1 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V798 | V798-A813 HydrophobicContact CG1-CB 4Å; V798-A813 HydrophobicContact CG2-CB 4.15Å |
| 814 | G | 68.5 | Low | 74.1 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 21% | 0.206 | 40% | 0.404 | C | S | . | . | trans | -79.6 | 174 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K816 E819 | G814-K816 PolarHBondContact O-N 3.12Å; G814-E819 PolarHBondContact N-O 3.48Å | ||
| 815 | E | 68.8 | Low | 74.7 | Confident | 199 Ų | 199 | 64.9 Ų | 64.9 | 93% | 0.93 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -65 | -21.1 | -176.5 | -69.6 | -175.6 | 164.5 | 0 | 0 | 113.8 | ||
| 816 | K | 55.9 | Low | 74.4 | Confident | 145 Ų | 145 | 70.4 Ų | 70.4 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -109.1 | 143.6 | 176.8 | -66.8 | -179.9 | -177.2 | 175.6 | 0 | 111.1 | G814 G818 E819 | G814-K816 PolarHBondContact O-N 3.12Å; K816-G818 PolarHBondContact O-N 2.89Å; K816-E819 HydrophobicContact CB-CB 4.39Å; K816-E819 WeakPolarHBondContact O-CB 3.41Å; K816-E819 PolarHBondContact O-N 2.78Å |
| 817 | P | 53.4 | Low | 74.2 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 58% | 0.578 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 125.9 | 171 | -20.1 | 29.8 | 0 | 0 | 0 | 109.8 | A787 | A787-P817 HydrophobicContact CB-CB 3.45Å; A787-P817 VanDerWaalsContact CB-CB 3.45Å |
| 818 | G | 57.6 | Low | 74.2 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -2.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L799 K816 | L799-G818 WeakPolarHBondContact CD1-O 3.32Å; K816-G818 PolarHBondContact O-N 2.89Å |
| 819 | E | 66.8 | Low | 74.3 | Confident | 100 Ų | 100 | 68.6 Ų | 68.6 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | trans | -100.3 | 153.8 | 178.3 | -136.7 | 174.2 | -166.7 | 0 | 0 | 111.1 | G814 K816 | G814-E819 PolarHBondContact N-O 3.48Å; K816-E819 HydrophobicContact CB-CB 4.39Å; K816-E819 WeakPolarHBondContact O-CB 3.41Å; K816-E819 PolarHBondContact O-N 2.78Å | ||
| 820 | Y | 72.2 | Confident | 74 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148 | 171.8 | 77.3 | -79.1 | 0 | 0 | 0 | 109.7 | L799 H803 T812 | L799-Y820 WeakPolarHBondContact O-CB 3.27Å; H803-Y820 HydrophobicContact CB-CD1 3.77Å; H803-Y820 HydrophobicContact CB-CD2 3.79Å; H803-Y820 HydrophobicContact CB-CE1 3.6Å; H803-Y820 HydrophobicContact CB-CE2 3.6Å; H803-Y820 HydrophobicContact CB-CG 3.88Å; H803-Y820 AromaticContact CD2-CD1 3.5Å; H803-Y820 AromaticContact CD2-CE1 3.7Å; H803-Y820 AromaticContact CE1-CE1 3.65Å; H803-Y820 AromaticContact CG-CD1 3.42Å; H803-Y820 VanDerWaalsContact CG-CD1 3.42Å; H803-Y820 AromaticContact CG-CE1 3.2Å; H803-Y820 AromaticContact CG-CZ 3.62Å; H803-Y820 AromaticContact ND1-CD1 3.84Å; H803-Y820 AromaticContact ND1-CE1 3.18Å; H803-Y820 WeakPolarHBondContact ND1-CE1 3.18Å; H803-Y820 AromaticContact ND1-CZ 3.62Å; H803-Y820 AromaticContact NE2-CD1 3.97Å; H803-Y820 AromaticContact NE2-CE1 3.97Å; T812-Y820 CarbonylContact O-C 3.44Å; T812-Y820 WeakPolarHBondContact O-CA 3.44Å |
| 821 | A | 76.8 | Confident | 73.9 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | T812 | T812-A821 PolarHBondContact N-O 3.15Å; T812-A821 PolarHBondContact O-N 2.88Å; T812-A821 PolarHBondContact OG1-O 3.15Å |
| 822 | C | 81.9 | Confident | 74.1 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.2 | 172.1 | -67.6 | 0 | 0 | 0 | 0 | 109.6 | C805 C824 K831 C833 | C805-C822 WeakPolarHBondContact CA-SG 3.3Å; C805-C822 HydrophobicContact CB-CB 3.77Å; C805-C822 WeakPolarHBondContact CB-SG 3.42Å; C805-C822 WeakPolarHBondContact SG-CA 3.03Å; C805-C822 WeakPolarHBondContact SG-CB 3.2Å; C805-C822 CovalentContact SG-SG 2.03Å; C805-C822 PolarHBondContact SG-SG 2.02Å; C822-C824 PolarHBondContact O-N 2.77Å; C822-K831 WeakPolarHBondContact CB-O 3.13Å; C822-C833 VanDerWaalsContact CB-SG 3.59Å |
| 823 | V | 83.8 | Confident | 74.4 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 103.9 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | G809 N810 T812 | G809-V823 CarbonylContact C-O 3.44Å; G809-V823 VanDerWaalsContact CA-O 3.28Å; G809-V823 WeakPolarHBondContact CA-O 3.33Å; N810-V823 HydrophobicContact CB-CB 4.43Å; N810-V823 PolarHBondContact N-O 3.09Å; N810-V823 PolarHBondContact O-N 3.27Å; T812-V823 HydrophobicContact CG2-CG2 3.63Å |
| 824 | C | 82.5 | Confident | 75.2 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 126.9 | -174.1 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | C822 F828 G830 C833 | C822-C824 PolarHBondContact O-N 2.77Å; C824-F828 HydrophobicContact CB-CB 4.34Å; C824-F828 WeakPolarHBondContact CB-O 3.43Å; C824-G830 PolarHBondContact SG-O 3.01Å; C824-C833 WeakPolarHBondContact CA-SG 3.39Å; C824-C833 HydrophobicContact CB-CB 3.67Å; C824-C833 WeakPolarHBondContact CB-SG 3.28Å; C824-C833 WeakPolarHBondContact SG-CA 3.27Å; C824-C833 WeakPolarHBondContact SG-CB 3.35Å; C824-C833 CovalentContact SG-SG 2.04Å; C824-C833 PolarHBondContact SG-SG 3.37Å |
| 825 | P | 81.8 | Confident | 75.7 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 139.9 | 169.5 | 27 | -33.4 | 0 | 0 | 0 | 109.1 | N807 F828 | N807-P825 WeakPolarHBondContact O-CG 3.45Å; P825-F828 HydrophobicContact CG-CD2 4.27Å; P825-F828 WeakPolarHBondContact O-CA 3.24Å; P825-F828 WeakPolarHBondContact O-CB 3.34Å; P825-F828 WeakPolarHBondContact O-CD2 3.45Å; P825-F828 PolarHBondContact O-N 2.82Å |
| 826 | F | 74.3 | Confident | 76 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 61% | 0.614 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 135 | 171.2 | -175.5 | -84.7 | 0 | 0 | 0 | 109.9 | F839 | F826-F839 HydrophobicContact CD1-CZ 4.32Å; F826-F839 HydrophobicContact CE1-CD2 4.3Å; F826-F839 AromaticContact CE1-CE1 3.8Å; F826-F839 HydrophobicContact CE1-CE1 3.8Å; F826-F839 AromaticContact CE1-CE2 3.31Å; F826-F839 HydrophobicContact CE1-CE2 3.31Å; F826-F839 AromaticContact CE1-CZ 3.04Å; F826-F839 HydrophobicContact CE1-CZ 3.04Å; F826-F839 HydrophobicContact CE2-CE1 4.27Å; F826-F839 HydrophobicContact CE2-CZ 4.29Å; F826-F839 AromaticContact CZ-CD1 3.9Å; F826-F839 HydrophobicContact CZ-CD1 3.9Å; F826-F839 AromaticContact CZ-CD2 3.91Å; F826-F839 HydrophobicContact CZ-CD2 3.91Å; F826-F839 AromaticContact CZ-CE1 3.31Å; F826-F839 HydrophobicContact CZ-CE1 3.31Å; F826-F839 AromaticContact CZ-CE2 3.32Å; F826-F839 HydrophobicContact CZ-CE2 3.32Å; F826-F839 HydrophobicContact CZ-CG 4.2Å; F826-F839 AromaticContact CZ-CZ 3.02Å; F826-F839 HydrophobicContact CZ-CZ 3.02Å |
| 827 | P | 78.2 | Confident | 76.2 | Confident | 46 Ų | 46 | 68 Ų | 68 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -99.2 | 36.1 | 10.7 | 39.9 | -35.5 | 0 | 0 | 0 | 113.9 | A836 C837 | P827-A836 CarbonylContact O-C 3.49Å; P827-A836 WeakPolarHBondContact O-CA 3.28Å; P827-C837 WeakPolarHBondContact O-CB 3.1Å; P827-C837 PolarHBondContact O-N 3.05Å |
| 828 | F | 83.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 145.4 | -177.9 | -55.9 | -78.2 | 0 | 0 | 0 | 112.8 | N807 C824 P825 C833 I835 A836 | N807-F828 HydrophobicContact CB-CB 4.23Å; N807-F828 HydrophobicContact CB-CD1 3.59Å; N807-F828 HydrophobicContact CB-CD2 3.63Å; N807-F828 HydrophobicContact CB-CE1 3.74Å; N807-F828 HydrophobicContact CB-CE2 3.79Å; N807-F828 HydrophobicContact CB-CG 3.53Å; N807-F828 HydrophobicContact CB-CZ 3.83Å; N807-F828 VanDerWaalsContact CG-CE1 3.46Å; N807-F828 VanDerWaalsContact ND2-CD1 3.29Å; N807-F828 WeakPolarHBondContact ND2-CD1 3.04Å; N807-F828 WeakPolarHBondContact ND2-CE1 3.03Å; C824-F828 HydrophobicContact CB-CB 4.34Å; C824-F828 WeakPolarHBondContact CB-O 3.43Å; P825-F828 HydrophobicContact CG-CD2 4.27Å; P825-F828 WeakPolarHBondContact O-CA 3.24Å; P825-F828 WeakPolarHBondContact O-CB 3.34Å; P825-F828 WeakPolarHBondContact O-CD2 3.45Å; P825-F828 PolarHBondContact O-N 2.82Å; F828-C833 HydrophobicContact CB-CB 4.22Å; F828-I835 CarbonylContact C-O 3.18Å; F828-I835 VanDerWaalsContact CA-O 3.23Å; F828-I835 WeakPolarHBondContact CA-O 3.33Å; F828-A836 HydrophobicContact CD1-CB 4.23Å; F828-A836 HydrophobicContact CE1-CB 4.22Å |
| 829 | T | 81 | Confident | 75.8 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | -176.5 | 174.2 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | C833 E834 I835 C837 | T829-C833 CarbonylContact O-C 3.44Å; T829-C833 VanDerWaalsContact O-CA 3.25Å; T829-C833 WeakPolarHBondContact O-CA 3.02Å; T829-E834 PolarHBondContact O-N 3.18Å; T829-I835 HydrophobicContact CG2-CB 3.62Å; T829-I835 HydrophobicContact CG2-CD1 4.32Å; T829-I835 HydrophobicContact CG2-CG1 4.48Å; T829-I835 HydrophobicContact CG2-CG2 3.72Å; T829-I835 PolarHBondContact N-O 3.02Å; T829-I835 WeakPolarHBondContact O-CA 2.99Å; T829-I835 WeakPolarHBondContact O-CB 3.35Å; T829-I835 PolarHBondContact O-N 2.75Å; T829-C837 WeakPolarHBondContact CG2-SG 3.18Å |
| 830 | G | 76.4 | Confident | 74.5 | Confident | 20 Ų | 20 | 82.5 Ų | 82.5 | 21% | 0.206 | 43% | 0.427 | C | S | . | . | S | Bend | trans | 95.9 | 160.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C824 R832 C833 E834 | C824-G830 PolarHBondContact SG-O 3.01Å; G830-R832 PolarHBondContact O-N 2.76Å; G830-R832 VanDerWaalsContact O-N 3.17Å; G830-C833 PolarHBondContact O-N 2.71Å; G830-E834 WeakPolarHBondContact CA-OE1 3.04Å |
| 831 | K | 80.9 | Confident | 73.5 | Confident | 186 Ų | 186 | 89.2 Ų | 89.2 | 81% | 0.809 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -23.2 | -171 | -76.6 | -169.1 | 173.6 | -169.8 | 0 | 113.3 | C822 E834 | C822-K831 WeakPolarHBondContact CB-O 3.13Å; K831-E834 PolarHBondContact N-OE1 3.11Å; K831-E834 PolarHBondContact N-OE2 3.11Å |
| 832 | R | 84.4 | Confident | 72.3 | Confident | 98 Ų | 98 | 96 Ų | 96 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 20.2 | 174.7 | -65.8 | 175.5 | 53.4 | -157.1 | -8 | 111.2 | Q804 L806 G830 E834 | Q804-R832 PolarHBondContact O-NE 3.42Å; Q804-R832 PolarHBondContact O-NH2 3.32Å; L806-R832 WeakPolarHBondContact CA-O 3.39Å; L806-R832 VanDerWaalsContact CB-O 3.22Å; L806-R832 WeakPolarHBondContact CB-O 3.01Å; L806-R832 HydrophobicContact CD1-CB 4.48Å; L806-R832 PolarHBondContact N-O 3.36Å; G830-R832 PolarHBondContact O-N 2.76Å; G830-R832 VanDerWaalsContact O-N 3.17Å; R832-E834 VanDerWaalsContact C-N 3.27Å; R832-E834 WeakPolarHBondContact CA-OE2 3.36Å; R832-E834 WeakPolarHBondContact CB-OE2 3.3Å; R832-E834 PolarHBondContact N-OE2 3.11Å; R832-E834 PolarHBondContact O-N 3.1Å |
| 833 | C | 85.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 99.8 Ų | 99.8 | 0% | 0 | 51% | 0.507 | C | S | . | . | S | Bend | trans | 61.8 | 28.3 | -176.8 | -46.5 | 0 | 0 | 0 | 0 | 115.1 | L806 N807 C822 C824 F828 T829 G830 | L806-C833 VanDerWaalsContact O-CB 3.26Å; L806-C833 WeakPolarHBondContact O-CB 3.04Å; N807-C833 PolarHBondContact ND2-O 3.2Å; C822-C833 VanDerWaalsContact CB-SG 3.59Å; C824-C833 WeakPolarHBondContact CA-SG 3.39Å; C824-C833 HydrophobicContact CB-CB 3.67Å; C824-C833 WeakPolarHBondContact CB-SG 3.28Å; C824-C833 WeakPolarHBondContact SG-CA 3.27Å; C824-C833 WeakPolarHBondContact SG-CB 3.35Å; C824-C833 CovalentContact SG-SG 2.04Å; C824-C833 PolarHBondContact SG-SG 3.37Å; F828-C833 HydrophobicContact CB-CB 4.22Å; T829-C833 CarbonylContact O-C 3.44Å; T829-C833 VanDerWaalsContact O-CA 3.25Å; T829-C833 WeakPolarHBondContact O-CA 3.02Å; G830-C833 PolarHBondContact O-N 2.71Å |
| 834 | E | 85.5 | Confident | 70.4 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | trans | -78.2 | -17.5 | -176.3 | 67.2 | -77.5 | -176.1 | 0 | 0 | 115 | L806 T829 G830 K831 R832 | L806-E834 HydrophobicContact CD1-CB 3.9Å; T829-E834 PolarHBondContact O-N 3.18Å; G830-E834 WeakPolarHBondContact CA-OE1 3.04Å; K831-E834 PolarHBondContact N-OE1 3.11Å; K831-E834 PolarHBondContact N-OE2 3.11Å; R832-E834 VanDerWaalsContact C-N 3.27Å; R832-E834 WeakPolarHBondContact CA-OE2 3.36Å; R832-E834 WeakPolarHBondContact CB-OE2 3.3Å; R832-E834 PolarHBondContact N-OE2 3.11Å; R832-E834 PolarHBondContact O-N 3.1Å | ||
| 835 | I | 79.7 | Confident | 70.1 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.1 | -173 | -50 | 177.8 | 0 | 0 | 0 | 109.5 | F828 T829 | F828-I835 CarbonylContact C-O 3.18Å; F828-I835 VanDerWaalsContact CA-O 3.23Å; F828-I835 WeakPolarHBondContact CA-O 3.33Å; T829-I835 HydrophobicContact CG2-CB 3.62Å; T829-I835 HydrophobicContact CG2-CD1 4.32Å; T829-I835 HydrophobicContact CG2-CG1 4.48Å; T829-I835 HydrophobicContact CG2-CG2 3.72Å; T829-I835 PolarHBondContact N-O 3.02Å; T829-I835 WeakPolarHBondContact O-CA 2.99Å; T829-I835 WeakPolarHBondContact O-CB 3.35Å; T829-I835 PolarHBondContact O-N 2.75Å |
| 836 | A | 74.5 | Confident | 69.5 | Low | 67 Ų | 67 | 101 Ų | 101 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P827 F828 K838 | P827-A836 CarbonylContact O-C 3.49Å; P827-A836 WeakPolarHBondContact O-CA 3.28Å; F828-A836 HydrophobicContact CD1-CB 4.23Å; F828-A836 HydrophobicContact CE1-CB 4.22Å; A836-K838 PolarHBondContact O-N 3.33Å |
| 837 | C | 59.6 | Low | 69.2 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -71 | 120.7 | 174.4 | -73.3 | 0 | 0 | 0 | 0 | 111.1 | P827 T829 | P827-C837 WeakPolarHBondContact O-CB 3.1Å; P827-C837 PolarHBondContact O-N 3.05Å; T829-C837 WeakPolarHBondContact CG2-SG 3.18Å |
| 838 | K | 56 | Low | 68.8 | Low | 202 Ų | 202 | 98 Ų | 98 | 88% | 0.878 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 117.5 | 163 | -80.6 | -179.1 | 173.6 | 178.5 | 0 | 108.7 | A836 L840 | A836-K838 PolarHBondContact O-N 3.33Å; K838-L840 PolarHBondContact O-N 2.9Å |
| 839 | F | 47.4 | Very low | 68.4 | Low | 166 Ų | 166 | 100.4 Ų | 100.4 | 73% | 0.728 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 116.4 | 176.2 | -81.9 | -94.6 | 0 | 0 | 0 | 112.2 | F826 | F826-F839 HydrophobicContact CD1-CZ 4.32Å; F826-F839 HydrophobicContact CE1-CD2 4.3Å; F826-F839 AromaticContact CE1-CE1 3.8Å; F826-F839 HydrophobicContact CE1-CE1 3.8Å; F826-F839 AromaticContact CE1-CE2 3.31Å; F826-F839 HydrophobicContact CE1-CE2 3.31Å; F826-F839 AromaticContact CE1-CZ 3.04Å; F826-F839 HydrophobicContact CE1-CZ 3.04Å; F826-F839 HydrophobicContact CE2-CE1 4.27Å; F826-F839 HydrophobicContact CE2-CZ 4.29Å; F826-F839 AromaticContact CZ-CD1 3.9Å; F826-F839 HydrophobicContact CZ-CD1 3.9Å; F826-F839 AromaticContact CZ-CD2 3.91Å; F826-F839 HydrophobicContact CZ-CD2 3.91Å; F826-F839 AromaticContact CZ-CE1 3.31Å; F826-F839 HydrophobicContact CZ-CE1 3.31Å; F826-F839 AromaticContact CZ-CE2 3.32Å; F826-F839 HydrophobicContact CZ-CE2 3.32Å; F826-F839 HydrophobicContact CZ-CG 4.2Å; F826-F839 AromaticContact CZ-CZ 3.02Å; F826-F839 HydrophobicContact CZ-CZ 3.02Å |
| 840 | L | 40.3 | Very low | 68.6 | Low | 159 Ų | 159 | 98.6 Ų | 98.6 | 83% | 0.832 | 52% | 0.518 | S | S | * | . | trans | -137.3 | 128.6 | 155 | -76.9 | 168.5 | 0 | 0 | 0 | 106.4 | K838 M842 | K838-L840 PolarHBondContact O-N 2.9Å; L840-M842 PolarHBondContact O-N 2.04Å | ||
| 841 | E | 49.3 | Very low | 68.9 | Low | 199 Ų | 199 | 101 Ų | 101 | 93% | 0.93 | 53% | 0.526 | S | S | * | . | trans | -44.1 | 121.9 | -170.2 | -62.2 | 163.1 | 153.9 | 0 | 0 | 114.5 | ||||
| 842 | M | 52.2 | Low | 68.9 | Low | 182 Ų | 182 | 95.6 Ų | 95.6 | 90% | 0.897 | 51% | 0.506 | S | S | * | . | trans | -140.7 | 135.2 | 167.4 | -73.3 | -171.2 | 172.2 | 0 | 0 | 110.8 | L840 | L840-M842 PolarHBondContact O-N 2.04Š| ||
| 843 | D | 62.5 | Low | 68.7 | Low | 98 Ų | 98 | 94.6 Ų | 94.6 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | trans | -62.5 | 124.6 | -177.2 | 177.2 | -2.2 | 0 | 0 | 0 | 111.6 | C845 V846 | D843-C845 PolarHBondContact O-N 2.07Å; D843-C845 VanDerWaalsContact O-N 3.09Å; D843-C845 PolarHBondContact OD1-N 3.42Å; D843-V846 HydrophobicContact CB-CG2 3.91Å; D843-V846 PolarHBondContact O-N 2.03Å | ||
| 844 | P | 64.7 | Low | 68.6 | Low | 42 Ų | 42 | 95.3 Ų | 95.3 | 27% | 0.273 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.9 | 178.9 | 26.5 | -34.2 | 0 | 0 | 0 | 113.3 | V846 A858 | P844-V846 VanDerWaalsContact C-N 3.34Å; P844-A858 HydrophobicContact CG-CB 3.96Å |
| 845 | C | 74.6 | Confident | 68.7 | Low | 32 Ų | 32 | 95.9 Ų | 95.9 | 22% | 0.216 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 9.6 | 173.6 | -68.8 | 0 | 0 | 0 | 0 | 115.2 | D843 H848 C856 | D843-C845 PolarHBondContact O-N 2.07Å; D843-C845 VanDerWaalsContact O-N 3.09Å; D843-C845 PolarHBondContact OD1-N 3.42Å; C845-H848 WeakPolarHBondContact CA-CD2 3.35Å; C845-H848 WeakPolarHBondContact CA-NE2 3.48Å; C845-H848 WeakPolarHBondContact CB-NE2 3.27Å; C845-H848 PolarHBondContact O-CD2 2.91Å; C845-H848 PolarHBondContact O-CE1 3.22Å; C845-H848 PolarHBondContact O-NE2 3.38Å; C845-C856 HydrophobicContact CB-CB 3.98Å; C845-C856 WeakPolarHBondContact CB-SG 3.32Å; C845-C856 WeakPolarHBondContact SG-CB 3.47Å; C845-C856 CovalentContact SG-SG 2.07Å; C845-C856 PolarHBondContact SG-SG 2.96Å |
| 846 | V | 68.9 | Low | 68.9 | Low | 117 Ų | 117 | 92.7 Ų | 92.7 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -100.3 | 108.3 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | D843 P844 | D843-V846 HydrophobicContact CB-CG2 3.91Å; D843-V846 PolarHBondContact O-N 2.03Å; P844-V846 VanDerWaalsContact C-N 3.34Å |
| 847 | G | 68.3 | Low | 69.5 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 72% | 0.722 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 100 | -1.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 848 | H | 69.4 | Low | 70.3 | Confident | 54 Ų | 54 | 92.2 Ų | 92.2 | 25% | 0.25 | 52% | 0.519 | C | S | . | . | trans | -67.1 | 160.3 | 169.5 | 54.9 | 30.3 | 0 | 0 | 0 | 112.4 | C845 C856 Y865 | C845-H848 WeakPolarHBondContact CA-CD2 3.35Å; C845-H848 WeakPolarHBondContact CA-NE2 3.48Å; C845-H848 WeakPolarHBondContact CB-NE2 3.27Å; C845-H848 PolarHBondContact O-CD2 2.91Å; C845-H848 PolarHBondContact O-CE1 3.22Å; C845-H848 PolarHBondContact O-NE2 3.38Å; H848-C856 WeakPolarHBondContact CD2-CB 3.34Å; H848-C856 PolarHBondContact CD2-SG 3.43Å; H848-C856 WeakPolarHBondContact NE2-CB 3.38Å; H848-C856 PolarHBondContact NE2-SG 2.8Å; H848-Y865 HydrophobicContact CB-CD1 4.22Å; H848-Y865 HydrophobicContact CB-CD2 3.77Å; H848-Y865 HydrophobicContact CB-CE1 4.1Å; H848-Y865 HydrophobicContact CB-CE2 3.64Å; H848-Y865 HydrophobicContact CB-CG 4.07Å | ||
| 849 | Q | 74.9 | Confident | 71.2 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | trans | -121.9 | 82.6 | 174.7 | -28.1 | 161.8 | -20.8 | 0 | 0 | 108.4 | R877 | Q849-R877 PolarHBondContact O-NE 3.34Å; Q849-R877 PolarHBondContact O-NH2 2.02Å | ||
| 850 | C | 85.6 | Confident | 72.5 | Confident | 26 Ų | 26 | 85.6 Ų | 85.6 | 18% | 0.176 | 49% | 0.494 | C | S | . | . | trans | -74.2 | 127.6 | 158.2 | -62.2 | 0 | 0 | 0 | 0 | 107.5 | A854 C867 | C850-A854 HydrophobicContact CB-CB 3.89Å; C850-A854 WeakPolarHBondContact CB-O 3.46Å; C850-C867 WeakPolarHBondContact CA-SG 3.29Å; C850-C867 HydrophobicContact CB-CB 3.76Å; C850-C867 WeakPolarHBondContact CB-SG 3.39Å; C850-C867 VanDerWaalsContact SG-CA 3.56Å; C850-C867 WeakPolarHBondContact SG-CB 3.41Å; C850-C867 CovalentContact SG-SG 2.03Å; C850-C867 PolarHBondContact SG-SG 2.76Å | ||
| 851 | L | 83.1 | Confident | 73.6 | Confident | 71 Ų | 71 | 87.1 Ų | 87.1 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | trans | -96.6 | 170.6 | -176 | -58.7 | 172 | 0 | 0 | 0 | 110.8 | G853 A854 R877 E879 | L851-G853 PolarHBondContact O-N 3.03Å; L851-G853 VanDerWaalsContact O-N 3.09Å; L851-A854 VanDerWaalsContact O-CB 3.24Å; L851-A854 WeakPolarHBondContact O-CB 3.16Å; L851-A854 PolarHBondContact O-N 2.9Å; L851-A854 VanDerWaalsContact O-N 3.09Å; L851-R877 WeakPolarHBondContact CA-O 3.01Å; L851-R877 VanDerWaalsContact CB-O 3.26Å; L851-R877 WeakPolarHBondContact CB-O 3.47Å; L851-R877 PolarHBondContact N-O 2.77Å; L851-E879 HydrophobicContact CD1-CB 3.95Å | ||
| 852 | N | 81.6 | Confident | 74.1 | Confident | 71 Ų | 71 | 84.4 Ų | 84.4 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.7 | 171.7 | -61.4 | -43.8 | 0 | 0 | 0 | 114.9 | P870 Y873 C878 | N852-P870 WeakPolarHBondContact O-CG 3.45Å; N852-Y873 HydrophobicContact CB-CD1 3.71Å; N852-Y873 HydrophobicContact CB-CD2 3.62Å; N852-Y873 HydrophobicContact CB-CE1 3.85Å; N852-Y873 HydrophobicContact CB-CE2 3.78Å; N852-Y873 HydrophobicContact CB-CG 3.57Å; N852-Y873 VanDerWaalsContact CG-CD1 3.44Å; N852-Y873 WeakPolarHBondContact ND2-CD1 3.27Å; N852-Y873 WeakPolarHBondContact ND2-CE1 3.47Å; N852-C878 PolarHBondContact ND2-O 2.03Å |
| 853 | G | 78.7 | Confident | 74.7 | Confident | 77 Ų | 77 | 78.9 Ų | 78.9 | 79% | 0.794 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 17.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L851 | L851-G853 PolarHBondContact O-N 3.03Å; L851-G853 VanDerWaalsContact O-N 3.09Å |
| 854 | A | 83.7 | Confident | 75.2 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 12% | 0.124 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 142.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C850 L851 C867 Q868 C878 | C850-A854 HydrophobicContact CB-CB 3.89Å; C850-A854 WeakPolarHBondContact CB-O 3.46Å; L851-A854 VanDerWaalsContact O-CB 3.24Å; L851-A854 WeakPolarHBondContact O-CB 3.16Å; L851-A854 PolarHBondContact O-N 2.9Å; L851-A854 VanDerWaalsContact O-N 3.09Å; A854-C867 HydrophobicContact CB-CB 4.24Å; A854-Q868 WeakPolarHBondContact CA-O 3.38Å; A854-Q868 WeakPolarHBondContact CB-O 3.18Å; A854-C878 HydrophobicContact CB-CB 3.76Å; A854-C878 WeakPolarHBondContact CB-SG 3.32Å |
| 855 | N | 87 | Confident | 75.9 | Confident | 107 Ų | 107 | 79.4 Ų | 79.4 | 57% | 0.572 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.7 | -176.7 | -152.7 | 17.5 | 0 | 0 | 0 | 110.6 | Q868 | N855-Q868 HydrophobicContact CB-CB 4.3Å; N855-Q868 PolarHBondContact N-O 2.8Å; N855-Q868 VanDerWaalsContact N-O 3.16Å; N855-Q868 PolarHBondContact O-N 2.8Å |
| 856 | C | 85.2 | Confident | 76.4 | Confident | 20 Ų | 20 | 81.3 Ų | 81.3 | 14% | 0.135 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 141.2 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | C845 H848 | C845-C856 HydrophobicContact CB-CB 3.98Å; C845-C856 WeakPolarHBondContact CB-SG 3.32Å; C845-C856 WeakPolarHBondContact SG-CB 3.47Å; C845-C856 CovalentContact SG-SG 2.07Å; C845-C856 PolarHBondContact SG-SG 2.96Å; H848-C856 WeakPolarHBondContact CD2-CB 3.34Å; H848-C856 PolarHBondContact CD2-SG 3.43Å; H848-C856 WeakPolarHBondContact NE2-CB 3.38Å; H848-C856 PolarHBondContact NE2-SG 2.8Å |
| 857 | T | 85.8 | Confident | 77.3 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 29% | 0.288 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.4 | 167 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | G859 Y865 V866 | T857-G859 PolarHBondContact O-N 2.77Å; T857-Y865 CarbonylContact O-C 3.3Å; T857-Y865 WeakPolarHBondContact O-CA 3.34Å; T857-V866 PolarHBondContact N-O 3.18Å; T857-V866 PolarHBondContact O-N 3.33Å; T857-V866 PolarHBondContact OG1-O 3.19Å; T857-V866 VanDerWaalsContact OG1-O 3.11Å |
| 858 | A | 77.9 | Confident | 78.3 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 133.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P844 | P844-A858 HydrophobicContact CG-CB 3.96Å |
| 859 | G | 73.3 | Confident | 79 | Confident | 16 Ų | 16 | 78 Ų | 78 | 17% | 0.165 | 45% | 0.448 | C | S | . | . | trans | -76.6 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T857 R861 D864 | T857-G859 PolarHBondContact O-N 2.77Å; G859-R861 PolarHBondContact O-N 2.88Å; G859-D864 PolarHBondContact N-O 2.86Å | ||
| 860 | K | 74.7 | Confident | 79.5 | Confident | 213 Ų | 213 | 75.2 Ų | 75.2 | 93% | 0.926 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -69.7 | -13.2 | -175.5 | -73.9 | -173.7 | 179.3 | 179.8 | 0 | 114.2 | ||
| 861 | R | 63.6 | Low | 79.3 | Confident | 192 Ų | 192 | 78.5 Ų | 78.5 | 73% | 0.725 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -114.9 | 145.7 | 178 | -54.5 | -175.8 | -152.9 | -164.2 | 5.3 | 110 | G859 G863 D864 | G859-R861 PolarHBondContact O-N 2.88Å; R861-G863 PolarHBondContact O-N 3.01Å; R861-D864 HydrophobicContact CB-CB 4.11Å; R861-D864 WeakPolarHBondContact O-CB 3.37Å; R861-D864 PolarHBondContact O-N 3.29Å |
| 862 | P | 59.7 | Low | 79.2 | Confident | 142 Ų | 142 | 78.3 Ų | 78.3 | 92% | 0.922 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123.7 | 173.9 | -21.6 | 31.7 | 0 | 0 | 0 | 110.7 | ||
| 863 | G | 65.1 | Low | 79.3 | Confident | 66 Ų | 66 | 79 Ų | 79 | 68% | 0.68 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -5.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R861 | R861-G863 PolarHBondContact O-N 3.01Š|
| 864 | D | 73.4 | Confident | 79.4 | Confident | 72 Ų | 72 | 78 Ų | 78 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | trans | -86.8 | 151 | 177.8 | -157.2 | 13.7 | 0 | 0 | 0 | 110.8 | G859 R861 | G859-D864 PolarHBondContact N-O 2.86Å; R861-D864 HydrophobicContact CB-CB 4.11Å; R861-D864 WeakPolarHBondContact O-CB 3.37Å; R861-D864 PolarHBondContact O-N 3.29Å | ||
| 865 | Y | 79.8 | Confident | 79.2 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 31% | 0.306 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.6 | 176.8 | 73.5 | -85.8 | 0 | 0 | 0 | 111.4 | H848 T857 | H848-Y865 HydrophobicContact CB-CD1 4.22Å; H848-Y865 HydrophobicContact CB-CD2 3.77Å; H848-Y865 HydrophobicContact CB-CE1 4.1Å; H848-Y865 HydrophobicContact CB-CE2 3.64Å; H848-Y865 HydrophobicContact CB-CG 4.07Å; T857-Y865 CarbonylContact O-C 3.3Å; T857-Y865 WeakPolarHBondContact O-CA 3.34Å |
| 866 | V | 85 | Confident | 78.9 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.9 | -177.8 | 179 | 0 | 0 | 0 | 0 | 109.2 | T857 | T857-V866 PolarHBondContact N-O 3.18Å; T857-V866 PolarHBondContact O-N 3.33Å; T857-V866 PolarHBondContact OG1-O 3.19Å; T857-V866 VanDerWaalsContact OG1-O 3.11Å |
| 867 | C | 87.1 | Confident | 78.9 | Confident | 13 Ų | 13 | 83.5 Ų | 83.5 | 9% | 0.088 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.1 | 176 | -60 | 0 | 0 | 0 | 0 | 111.2 | C850 A854 C869 | C850-C867 WeakPolarHBondContact CA-SG 3.29Å; C850-C867 HydrophobicContact CB-CB 3.76Å; C850-C867 WeakPolarHBondContact CB-SG 3.39Å; C850-C867 VanDerWaalsContact SG-CA 3.56Å; C850-C867 WeakPolarHBondContact SG-CB 3.41Å; C850-C867 CovalentContact SG-SG 2.03Å; C850-C867 PolarHBondContact SG-SG 2.76Å; A854-C867 HydrophobicContact CB-CB 4.24Å; C867-C869 PolarHBondContact O-N 2.99Å |
| 868 | Q | 88.9 | Confident | 79 | Confident | 112 Ų | 112 | 81.3 Ų | 81.3 | 52% | 0.523 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 104 | 171.1 | -71.9 | -179.6 | -22.1 | 0 | 0 | 110.1 | A854 N855 | A854-Q868 WeakPolarHBondContact CA-O 3.38Å; A854-Q868 WeakPolarHBondContact CB-O 3.18Å; N855-Q868 HydrophobicContact CB-CB 4.3Å; N855-Q868 PolarHBondContact N-O 2.8Å; N855-Q868 VanDerWaalsContact N-O 3.16Å; N855-Q868 PolarHBondContact O-N 2.8Å |
| 869 | C | 84.6 | Confident | 79.4 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 129.6 | -174.9 | -51.2 | 0 | 0 | 0 | 0 | 113.4 | C867 Y873 G875 C878 | C867-C869 PolarHBondContact O-N 2.99Å; C869-Y873 VanDerWaalsContact CB-O 3.24Å; C869-Y873 WeakPolarHBondContact CB-O 3.4Å; C869-G875 PolarHBondContact SG-O 2.85Å; C869-G875 VanDerWaalsContact SG-O 3.35Å; C869-C878 WeakPolarHBondContact CA-SG 3.37Å; C869-C878 HydrophobicContact CB-CB 3.54Å; C869-C878 WeakPolarHBondContact CB-SG 3.06Å; C869-C878 PolarHBondContact N-SG 3.43Å; C869-C878 WeakPolarHBondContact SG-CA 3.47Å; C869-C878 WeakPolarHBondContact SG-CB 3.05Å; C869-C878 CovalentContact SG-SG 2.02Å; C869-C878 PolarHBondContact SG-SG 3.06Å |
| 870 | P | 85.3 | Confident | 79.6 | Confident | 53 Ų | 53 | 85.9 Ų | 85.9 | 34% | 0.344 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 145.4 | 165.7 | 29.1 | -30.5 | 0 | 0 | 0 | 110.5 | N852 Y873 | N852-P870 WeakPolarHBondContact O-CG 3.45Å; P870-Y873 HydrophobicContact CG-CD2 4.37Å; P870-Y873 WeakPolarHBondContact O-CA 3.2Å; P870-Y873 VanDerWaalsContact O-CB 3.28Å; P870-Y873 WeakPolarHBondContact O-CB 3.22Å; P870-Y873 WeakPolarHBondContact O-CD2 3.42Å; P870-Y873 PolarHBondContact O-N 3.13Å |
| 871 | A | 82 | Confident | 79.4 | Confident | 96 Ų | 96 | 78 Ų | 78 | 79% | 0.793 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 143.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 872 | P | 81.3 | Confident | 79.1 | Confident | 67 Ų | 67 | 75 Ų | 75 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.4 | 25.9 | 6.5 | 38.9 | -35.8 | 0 | 0 | 0 | 113.6 | M882 | P872-M882 HydrophobicContact CB-CB 4.42Å; P872-M882 PolarHBondContact O-N 2.65Å |
| 873 | Y | 82.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 74 Ų | 74 | 33% | 0.329 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.8 | -175.1 | -56 | -79.5 | 0 | 0 | 0 | 112.5 | N852 C869 P870 C878 I880 | N852-Y873 HydrophobicContact CB-CD1 3.71Å; N852-Y873 HydrophobicContact CB-CD2 3.62Å; N852-Y873 HydrophobicContact CB-CE1 3.85Å; N852-Y873 HydrophobicContact CB-CE2 3.78Å; N852-Y873 HydrophobicContact CB-CG 3.57Å; N852-Y873 VanDerWaalsContact CG-CD1 3.44Å; N852-Y873 WeakPolarHBondContact ND2-CD1 3.27Å; N852-Y873 WeakPolarHBondContact ND2-CE1 3.47Å; C869-Y873 VanDerWaalsContact CB-O 3.24Å; C869-Y873 WeakPolarHBondContact CB-O 3.4Å; P870-Y873 HydrophobicContact CG-CD2 4.37Å; P870-Y873 WeakPolarHBondContact O-CA 3.2Å; P870-Y873 VanDerWaalsContact O-CB 3.28Å; P870-Y873 WeakPolarHBondContact O-CB 3.22Å; P870-Y873 WeakPolarHBondContact O-CD2 3.42Å; P870-Y873 PolarHBondContact O-N 3.13Å; Y873-C878 WeakPolarHBondContact CB-O 3.46Å; Y873-I880 CarbonylContact C-O 3.59Å; Y873-I880 VanDerWaalsContact CA-O 3.22Å; Y873-I880 WeakPolarHBondContact CA-O 3.48Å |
| 874 | T | 82.5 | Confident | 77.3 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 36% | 0.356 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 178.3 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | C878 E879 I880 M882 | T874-C878 CarbonylContact O-C 3.29Å; T874-C878 VanDerWaalsContact O-C 3.23Å; T874-C878 VanDerWaalsContact O-CA 3.32Å; T874-C878 WeakPolarHBondContact O-CA 3.04Å; T874-E879 PolarHBondContact O-N 3.18Å; T874-E879 VanDerWaalsContact O-N 3.11Å; T874-I880 PolarHBondContact N-O 3.48Å; T874-I880 WeakPolarHBondContact O-CB 3.23Å; T874-I880 PolarHBondContact O-N 3.01Å; T874-I880 WeakPolarHBondContact OG1-CB 3.35Å; T874-I880 PolarHBondContact OG1-O 3.01Å; T874-M882 HydrophobicContact CG2-CE 4.2Å |
| 875 | G | 78.7 | Confident | 75.7 | Confident | 26 Ų | 26 | 84.5 Ų | 84.5 | 27% | 0.268 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 100 | 160.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C869 R877 C878 | C869-G875 PolarHBondContact SG-O 2.85Å; C869-G875 VanDerWaalsContact SG-O 3.35Å; G875-R877 PolarHBondContact O-N 3.23Å; G875-C878 PolarHBondContact O-N 3.12Å |
| 876 | N | 81.1 | Confident | 73.8 | Confident | 149 Ų | 149 | 87 Ų | 87 | 80% | 0.797 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19.9 | -171.9 | -69.3 | -22.1 | 0 | 0 | 0 | 112.9 | E879 | N876-E879 PolarHBondContact N-OE1 3.18Å; N876-E879 PolarHBondContact N-OE2 3.4Å |
| 877 | R | 85.5 | Confident | 71.4 | Confident | 82 Ų | 82 | 90.6 Ų | 90.6 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 13.3 | 175.6 | -52.3 | 176 | 79 | -177.7 | 21.6 | 110.8 | Q849 L851 G875 E879 | Q849-R877 PolarHBondContact O-NE 3.34Å; Q849-R877 PolarHBondContact O-NH2 2.02Å; L851-R877 WeakPolarHBondContact CA-O 3.01Å; L851-R877 VanDerWaalsContact CB-O 3.26Å; L851-R877 WeakPolarHBondContact CB-O 3.47Å; L851-R877 PolarHBondContact N-O 2.77Å; G875-R877 PolarHBondContact O-N 3.23Å; R877-E879 VanDerWaalsContact C-N 3.34Å; R877-E879 WeakPolarHBondContact CA-OE2 3.48Å; R877-E879 WeakPolarHBondContact CB-OE2 3.02Å; R877-E879 PolarHBondContact N-OE2 2.86Å |
| 878 | C | 86.8 | Confident | 69 | Low | 0 Ų | 0 | 95.5 Ų | 95.5 | 0% | 0 | 53% | 0.529 | C | S | . | . | S | Bend | trans | 64.5 | 33.4 | -178.9 | -44.8 | 0 | 0 | 0 | 0 | 114.2 | N852 A854 C869 Y873 T874 G875 | N852-C878 PolarHBondContact ND2-O 2.03Å; A854-C878 HydrophobicContact CB-CB 3.76Å; A854-C878 WeakPolarHBondContact CB-SG 3.32Å; C869-C878 WeakPolarHBondContact CA-SG 3.37Å; C869-C878 HydrophobicContact CB-CB 3.54Å; C869-C878 WeakPolarHBondContact CB-SG 3.06Å; C869-C878 PolarHBondContact N-SG 3.43Å; C869-C878 WeakPolarHBondContact SG-CA 3.47Å; C869-C878 WeakPolarHBondContact SG-CB 3.05Å; C869-C878 CovalentContact SG-SG 2.02Å; C869-C878 PolarHBondContact SG-SG 3.06Å; Y873-C878 WeakPolarHBondContact CB-O 3.46Å; T874-C878 CarbonylContact O-C 3.29Å; T874-C878 VanDerWaalsContact O-C 3.23Å; T874-C878 VanDerWaalsContact O-CA 3.32Å; T874-C878 WeakPolarHBondContact O-CA 3.04Å; G875-C878 PolarHBondContact O-N 3.12Å |
| 879 | E | 85.8 | Confident | 66.9 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | trans | -81.2 | -17.8 | -174.7 | 64.7 | -81.6 | -166.8 | 0 | 0 | 115.3 | L851 T874 N876 R877 | L851-E879 HydrophobicContact CD1-CB 3.95Å; T874-E879 PolarHBondContact O-N 3.18Å; T874-E879 VanDerWaalsContact O-N 3.11Å; N876-E879 PolarHBondContact N-OE1 3.18Å; N876-E879 PolarHBondContact N-OE2 3.4Å; R877-E879 VanDerWaalsContact C-N 3.34Å; R877-E879 WeakPolarHBondContact CA-OE2 3.48Å; R877-E879 WeakPolarHBondContact CB-OE2 3.02Å; R877-E879 PolarHBondContact N-OE2 2.86Å | ||
| 880 | I | 79 | Confident | 64.6 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 104 | -171.6 | -50.9 | 176.1 | 0 | 0 | 0 | 110.4 | Y873 T874 | Y873-I880 CarbonylContact C-O 3.59Å; Y873-I880 VanDerWaalsContact CA-O 3.22Å; Y873-I880 WeakPolarHBondContact CA-O 3.48Å; T874-I880 PolarHBondContact N-O 3.48Å; T874-I880 WeakPolarHBondContact O-CB 3.23Å; T874-I880 PolarHBondContact O-N 3.01Å; T874-I880 WeakPolarHBondContact OG1-CB 3.35Å; T874-I880 PolarHBondContact OG1-O 3.01Å |
| 881 | G | 69.6 | Low | 62.3 | Low | 48 Ų | 48 | 107.2 Ų | 107.2 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 882 | M | 57.1 | Low | 59.9 | Low | 127 Ų | 127 | 106 Ų | 106 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | trans | -92.4 | 119.5 | 171.2 | -83.5 | -172.8 | -96.6 | 0 | 0 | 111.6 | P872 T874 | P872-M882 HydrophobicContact CB-CB 4.42Å; P872-M882 PolarHBondContact O-N 2.65Å; T874-M882 HydrophobicContact CG2-CE 4.2Å | ||
| 883 | S | 49.4 | Very low | 57.7 | Low | 122 Ų | 122 | 109 Ų | 109 | 85% | 0.853 | 59% | 0.592 | S | S | * | * | trans | -146.2 | 125.8 | 165.2 | -138.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 884 | L | 38.6 | Very low | 55.5 | Low | 152 Ų | 152 | 112 Ų | 112 | 80% | 0.796 | 61% | 0.613 | S | S | * | * | trans | -72.2 | 165.6 | 176 | -92.1 | 72.4 | 0 | 0 | 0 | 112.4 | ||||
| 885 | Y | 38.3 | Very low | 53.1 | Low | 207 Ų | 207 | 114 Ų | 114 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | trans | 137.6 | 96.3 | 150 | -80.8 | -82.2 | 0 | 0 | 0 | 112.5 | ||||
| 886 | I | 39.8 | Very low | 51 | Low | 129 Ų | 129 | 119.7 Ų | 119.7 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | 100 | 112.5 | 81.9 | -77.9 | -174.1 | 0 | 0 | 0 | 114.7 | |||||
| 887 | L | 35.5 | Very low | 49.1 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | trans | 57.9 | 144.3 | 144.1 | -55.1 | 167.8 | 0 | 0 | 0 | 122.2 | ||||
| 888 | T | 37.7 | Very low | 46.6 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | cis | 175.2 | 176.8 | -3 | 33.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 889 | P | 42.9 | Very low | 44.2 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | -141.1 | 152.9 | -54.9 | 40.2 | -21.5 | 0 | 0 | 0 | 115.3 | |||||
| 890 | M | 38.2 | Very low | 41.8 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 84% | 0.837 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -155.7 | 118.4 | 143.5 | -87.1 | -133.7 | -179.2 | 0 | 0 | 109.8 | ||
| 891 | H | 35.1 | Very low | 40.3 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | 46.8 | 139.7 | 161.8 | -54.9 | 130.9 | 0 | 0 | 0 | 120.1 | ||||
| 892 | A | 32.3 | Very low | 39.7 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | cis | 177 | 135.9 | -15.7 | 0 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 893 | T | 36.1 | Very low | 39.9 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 67.1 | 145 | 164.6 | 70.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 894 | I | 35.7 | Very low | 41 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | cis | -161.9 | 149 | -20.3 | -107.5 | 152.6 | 0 | 0 | 0 | 104.8 | ||||
| 895 | S | 32.8 | Very low | 42.3 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | -49.6 | 175.4 | 174.3 | -54.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 896 | L | 33.9 | Very low | 43.5 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | 109.4 | 96.9 | 154.1 | -66.8 | 131.4 | 0 | 0 | 0 | 113.8 | ||||
| 897 | I | 40.4 | Very low | 44.8 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | 63.8 | 101.9 | 77.5 | -58.8 | 168.7 | 0 | 0 | 0 | 112 | |||||
| 898 | V | 32.7 | Very low | 46.7 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | 40.7 | 109.3 | 139.4 | -169 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 899 | L | 36.8 | Very low | 48.9 | Very low | 175 Ų | 175 | 117.2 Ų | 117.2 | 92% | 0.916 | 65% | 0.649 | S | S | * | * | trans | -143.3 | 127.1 | 137.1 | -112.5 | 120.1 | 0 | 0 | 0 | 109.9 | A901 | L899-A901 PolarHBondContact O-N 2.85Š| ||
| 900 | E | 37 | Very low | 50.7 | Low | 174 Ų | 174 | 117.8 Ų | 117.8 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | trans | -57.5 | 121.7 | -179.8 | -58.4 | 179 | 154.6 | 0 | 0 | 110.9 | M902 | E900-M902 PolarHBondContact O-N 3.17Š| ||
| 901 | A | 45.9 | Very low | 52.7 | Low | 94 Ų | 94 | 112.8 Ų | 112.8 | 78% | 0.777 | 62% | 0.617 | S | S | * | * | trans | -85.1 | 104.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L899 | L899-A901 PolarHBondContact O-N 2.85Š| ||
| 902 | M | 57.2 | Low | 54.8 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | trans | -54.9 | 132.8 | 169.7 | -67.8 | 174.1 | 170.5 | 0 | 0 | 109.9 | E900 C904 A905 | E900-M902 PolarHBondContact O-N 3.17Å; M902-C904 PolarHBondContact O-N 2.04Å; M902-A905 HydrophobicContact CB-CB 4.24Å; M902-A905 WeakPolarHBondContact O-CB 3.21Å; M902-A905 PolarHBondContact O-N 3.03Å | ||
| 903 | P | 61.9 | Low | 57.1 | Low | 45 Ų | 45 | 107.7 Ų | 107.7 | 29% | 0.292 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -14.8 | -172.4 | -23.3 | 31.8 | 0 | 0 | 0 | 115.8 | A917 N921 Y922 | P903-A917 HydrophobicContact CB-CB 3.72Å; P903-A917 HydrophobicContact CG-CB 3.8Å; P903-N921 WeakPolarHBondContact CB-O 3.26Å; P903-Y922 WeakPolarHBondContact O-CB 3.31Å |
| 904 | C | 71.7 | Confident | 59.3 | Low | 42 Ų | 42 | 105.6 Ų | 105.6 | 28% | 0.284 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.4 | 14.7 | 177.2 | -65 | 0 | 0 | 0 | 0 | 113.9 | M902 Y906 C915 | M902-C904 PolarHBondContact O-N 2.04Å; C904-Y906 PolarHBondContact O-N 2.81Å; C904-Y906 VanDerWaalsContact O-N 3.14Å; C904-C915 WeakPolarHBondContact CA-SG 3.17Å; C904-C915 HydrophobicContact CB-CB 3.75Å; C904-C915 WeakPolarHBondContact CB-SG 3.3Å; C904-C915 WeakPolarHBondContact SG-CB 3.35Å; C904-C915 CovalentContact SG-SG 2.04Å; C904-C915 PolarHBondContact SG-SG 3.22Å |
| 905 | A | 66.9 | Low | 61.6 | Low | 63 Ų | 63 | 99.6 Ų | 99.6 | 52% | 0.521 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -58 | -28.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M902 | M902-A905 HydrophobicContact CB-CB 4.24Å; M902-A905 WeakPolarHBondContact O-CB 3.21Å; M902-A905 PolarHBondContact O-N 3.03Å |
| 906 | Y | 64.3 | Low | 63.9 | Low | 200 Ų | 200 | 98.4 Ų | 98.4 | 78% | 0.784 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -120 | 120.1 | 164.6 | -67.9 | -88.5 | 0 | 0 | 0 | 106.4 | C904 M908 | C904-Y906 PolarHBondContact O-N 2.81Å; C904-Y906 VanDerWaalsContact O-N 3.14Å; Y906-M908 VanDerWaalsContact C-N 3.28Å; Y906-M908 VanDerWaalsContact O-CG 3.3Å; Y906-M908 WeakPolarHBondContact O-CG 3.09Å; Y906-M908 PolarHBondContact O-N 2.77Å |
| 907 | N | 65.2 | Low | 65.8 | Low | 97 Ų | 97 | 94 Ų | 94 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | trans | -65 | 91.8 | 178.8 | -167.2 | 5.3 | 0 | 0 | 0 | 108.7 | C909 S913 C915 | N907-C909 PolarHBondContact O-N 3.26Å; N907-C909 WeakPolarHBondContact OD1-CB 3.48Å; N907-C909 PolarHBondContact OD1-N 3.27Å; N907-S913 PolarHBondContact ND2-O 3.09Å; N907-C915 WeakPolarHBondContact OD1-CB 2.96Å | ||
| 908 | M | 76.2 | Confident | 66.7 | Low | 101 Ų | 101 | 90.6 Ų | 90.6 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | trans | -72.4 | -11.8 | -178 | -56.7 | -157.9 | 78.9 | 0 | 0 | 111.9 | Y906 Y922 L934 | Y906-M908 VanDerWaalsContact C-N 3.28Å; Y906-M908 VanDerWaalsContact O-CG 3.3Å; Y906-M908 WeakPolarHBondContact O-CG 3.09Å; Y906-M908 PolarHBondContact O-N 2.77Å; M908-Y922 HydrophobicContact CB-CE2 4.08Å; M908-Y922 HydrophobicContact SD-CE1 4.19Å; M908-L934 HydrophobicContact CB-CD2 4.16Å | ||
| 909 | C | 83.2 | Confident | 67.8 | Low | 10 Ų | 10 | 92.5 Ų | 92.5 | 7% | 0.068 | 51% | 0.509 | C | S | . | . | trans | -74.2 | 128.9 | 177.8 | -46.7 | 0 | 0 | 0 | 0 | 111 | N907 C924 L934 | N907-C909 PolarHBondContact O-N 3.26Å; N907-C909 WeakPolarHBondContact OD1-CB 3.48Å; N907-C909 PolarHBondContact OD1-N 3.27Å; C909-C924 WeakPolarHBondContact CA-SG 3.45Å; C909-C924 HydrophobicContact CB-CB 3.63Å; C909-C924 WeakPolarHBondContact CB-SG 3.09Å; C909-C924 WeakPolarHBondContact SG-CA 3.11Å; C909-C924 WeakPolarHBondContact SG-CB 3.42Å; C909-C924 CovalentContact SG-SG 2.02Å; C909-C924 PolarHBondContact SG-SG 3.4Å; C909-L934 CarbonylContact C-O 3.55Å | ||
| 910 | K | 81.1 | Confident | 68.8 | Low | 123 Ų | 123 | 95.2 Ų | 95.2 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -82.2 | 167.6 | 176.1 | -62.3 | -70.9 | -178.5 | 176.5 | 0 | 110.9 | N912 S913 L934 E936 | K910-N912 PolarHBondContact O-N 3.01Å; K910-S913 WeakPolarHBondContact O-CB 3.38Å; K910-S913 PolarHBondContact O-N 3.03Å; K910-S913 PolarHBondContact O-OG 3.5Å; K910-L934 WeakPolarHBondContact CB-O 3.25Å; K910-L934 HydrophobicContact CG-CB 4.49Å; K910-L934 PolarHBondContact N-O 3.09Å; K910-E936 HydrophobicContact CB-CB 4.3Å; K910-E936 HydrophobicContact CG-CB 4.04Å |
| 911 | N | 80.6 | Confident | 69.9 | Low | 65 Ų | 65 | 91.9 Ų | 91.9 | 35% | 0.348 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 45.4 | 171 | -57.6 | -36.9 | 0 | 0 | 0 | 114.7 | S913 F930 C935 | N911-S913 PolarHBondContact O-N 3.34Å; N911-S913 VanDerWaalsContact O-N 3.14Å; N911-F930 HydrophobicContact CB-CB 4.22Å; N911-F930 HydrophobicContact CB-CD1 3.48Å; N911-F930 VanDerWaalsContact CB-CD1 3.48Å; N911-F930 HydrophobicContact CB-CD2 3.66Å; N911-F930 HydrophobicContact CB-CE1 3.61Å; N911-F930 HydrophobicContact CB-CE2 3.8Å; N911-F930 HydrophobicContact CB-CG 3.49Å; N911-F930 VanDerWaalsContact CB-CG 3.49Å; N911-F930 HydrophobicContact CB-CZ 3.77Å; N911-F930 WeakPolarHBondContact ND2-CD1 2.99Å; N911-F930 VanDerWaalsContact ND2-CE1 3.35Å; N911-F930 WeakPolarHBondContact ND2-CE1 3.34Å; N911-C935 PolarHBondContact ND2-O 3.45Å |
| 912 | N | 78.8 | Confident | 71.4 | Confident | 140 Ų | 140 | 91.3 Ų | 91.3 | 75% | 0.749 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26 | 179.6 | -92 | -2.6 | 0 | 0 | 0 | 115.1 | K910 | K910-N912 PolarHBondContact O-N 3.01Š|
| 913 | S | 79.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 87.1 Ų | 87.1 | 1% | 0.007 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 153.6 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | N907 K910 N911 L925 C935 | N907-S913 PolarHBondContact ND2-O 3.09Å; K910-S913 WeakPolarHBondContact O-CB 3.38Å; K910-S913 PolarHBondContact O-N 3.03Å; K910-S913 PolarHBondContact O-OG 3.5Å; N911-S913 PolarHBondContact O-N 3.34Å; N911-S913 VanDerWaalsContact O-N 3.14Å; S913-L925 WeakPolarHBondContact CA-O 3.27Å; S913-L925 WeakPolarHBondContact CB-O 3.46Å; S913-C935 WeakPolarHBondContact CB-SG 3.31Å; S913-C935 WeakPolarHBondContact OG-CB 3.45Å; S913-C935 PolarHBondContact OG-SG 3.34Å |
| 914 | T | 84.1 | Confident | 73.6 | Confident | 83 Ų | 83 | 86.1 Ų | 86.1 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.2 | -173.5 | -46.5 | 0 | 0 | 0 | 0 | 111 | L925 | T914-L925 PolarHBondContact N-O 2.86Å; T914-L925 PolarHBondContact O-N 3.44Å |
| 915 | C | 84 | Confident | 74.1 | Confident | 23 Ų | 23 | 88.2 Ų | 88.2 | 16% | 0.155 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 133.8 | 173.6 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | C904 N907 S923 | C904-C915 WeakPolarHBondContact CA-SG 3.17Å; C904-C915 HydrophobicContact CB-CB 3.75Å; C904-C915 WeakPolarHBondContact CB-SG 3.3Å; C904-C915 WeakPolarHBondContact SG-CB 3.35Å; C904-C915 CovalentContact SG-SG 2.04Å; C904-C915 PolarHBondContact SG-SG 3.22Å; N907-C915 WeakPolarHBondContact OD1-CB 2.96Å; C915-S923 CarbonylContact C-O 3.52Å; C915-S923 WeakPolarHBondContact CA-O 3.27Å |
| 916 | I | 81.2 | Confident | 74.8 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.2 | 176.9 | -52.4 | 167.9 | 0 | 0 | 0 | 108.4 | Y922 S923 L925 | I916-Y922 CarbonylContact O-C 3.59Å; I916-Y922 VanDerWaalsContact O-CA 3.3Å; I916-Y922 WeakPolarHBondContact O-CA 3.11Å; I916-S923 PolarHBondContact N-O 3.37Å; I916-S923 PolarHBondContact O-N 2.05Å; I916-S923 PolarHBondContact O-OG 2.78Å; I916-L925 HydrophobicContact CD1-CB 4.03Å; I916-L925 HydrophobicContact CD1-CD1 3.56Å; I916-L925 HydrophobicContact CD1-CG 4.42Å |
| 917 | A | 72.6 | Confident | 75.4 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 44% | 0.438 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 136.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P903 N921 | P903-A917 HydrophobicContact CB-CB 3.72Å; P903-A917 HydrophobicContact CG-CB 3.8Å; A917-N921 WeakPolarHBondContact CA-O 3.06Å |
| 918 | S | 59.4 | Low | 75.9 | Confident | 72 Ų | 72 | 83.8 Ų | 83.8 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 111.3 | 169.9 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | Y920 N921 | S918-Y920 PolarHBondContact O-N 3.32Å; S918-Y920 VanDerWaalsContact O-N 3.1Å; S918-N921 PolarHBondContact N-O 3.05Å; S918-N921 WeakPolarHBondContact O-CA 3.38Å; S918-N921 WeakPolarHBondContact O-CB 3.48Å; S918-N921 PolarHBondContact O-N 2.83Å |
| 919 | N | 55.9 | Low | 75.7 | Confident | 160 Ų | 160 | 80.4 Ų | 80.4 | 86% | 0.856 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 16.5 | 79.3 | 171.8 | -69.2 | -14.2 | 0 | 0 | 0 | 114.9 | ||
| 920 | Y | 58.5 | Low | 75.6 | Confident | 232 Ų | 232 | 82 Ų | 82 | 91% | 0.91 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 2.9 | -177.1 | -48 | -73.4 | 0 | 0 | 0 | 118.1 | S918 | S918-Y920 PolarHBondContact O-N 3.32Å; S918-Y920 VanDerWaalsContact O-N 3.1Å |
| 921 | N | 59.6 | Low | 75.6 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 160.3 | -179 | -136.3 | -6.1 | 0 | 0 | 0 | 112 | P903 A917 S918 | P903-N921 WeakPolarHBondContact CB-O 3.26Å; A917-N921 WeakPolarHBondContact CA-O 3.06Å; S918-N921 PolarHBondContact N-O 3.05Å; S918-N921 WeakPolarHBondContact O-CA 3.38Å; S918-N921 WeakPolarHBondContact O-CB 3.48Å; S918-N921 PolarHBondContact O-N 2.83Å |
| 922 | Y | 77.4 | Confident | 75.3 | Confident | 83 Ų | 83 | 77.6 Ų | 77.6 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.8 | 171.5 | 71.3 | -83.7 | 0 | 0 | 0 | 110.2 | P903 M908 I916 L934 | P903-Y922 WeakPolarHBondContact O-CB 3.31Å; M908-Y922 HydrophobicContact CB-CE2 4.08Å; M908-Y922 HydrophobicContact SD-CE1 4.19Å; I916-Y922 CarbonylContact O-C 3.59Å; I916-Y922 VanDerWaalsContact O-CA 3.3Å; I916-Y922 WeakPolarHBondContact O-CA 3.11Å; Y922-L934 HydrophobicContact CE2-CD2 3.61Å; Y922-L934 WeakPolarHBondContact OH-CD2 3.31Å |
| 923 | S | 79.6 | Confident | 75.3 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.2 | 173.9 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | C915 I916 | C915-S923 CarbonylContact C-O 3.52Å; C915-S923 WeakPolarHBondContact CA-O 3.27Å; I916-S923 PolarHBondContact N-O 3.37Å; I916-S923 PolarHBondContact O-N 2.05Å; I916-S923 PolarHBondContact O-OG 2.78Å |
| 924 | C | 84.9 | Confident | 75.4 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 16% | 0.155 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.6 | -178.3 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | C909 C926 C935 | C909-C924 WeakPolarHBondContact CA-SG 3.45Å; C909-C924 HydrophobicContact CB-CB 3.63Å; C909-C924 WeakPolarHBondContact CB-SG 3.09Å; C909-C924 WeakPolarHBondContact SG-CA 3.11Å; C909-C924 WeakPolarHBondContact SG-CB 3.42Å; C909-C924 CovalentContact SG-SG 2.02Å; C909-C924 PolarHBondContact SG-SG 3.4Å; C924-C926 PolarHBondContact O-N 3.08Å; C924-C935 VanDerWaalsContact CB-SG 3.53Å |
| 925 | L | 83 | Confident | 75.4 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 45% | 0.45 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 99.6 | 172.1 | -151.9 | 117 | 0 | 0 | 0 | 108.5 | S913 T914 I916 | S913-L925 WeakPolarHBondContact CA-O 3.27Å; S913-L925 WeakPolarHBondContact CB-O 3.46Å; T914-L925 PolarHBondContact N-O 2.86Å; T914-L925 PolarHBondContact O-N 3.44Å; I916-L925 HydrophobicContact CD1-CB 4.03Å; I916-L925 HydrophobicContact CD1-CD1 3.56Å; I916-L925 HydrophobicContact CD1-CG 4.42Å |
| 926 | C | 80.8 | Confident | 75.5 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 138.9 | -174.5 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | C924 F930 C935 | C924-C926 PolarHBondContact O-N 3.08Å; C926-F930 WeakPolarHBondContact CB-O 3.21Å; C926-C935 WeakPolarHBondContact CA-SG 3.46Å; C926-C935 HydrophobicContact CB-CB 3.65Å; C926-C935 WeakPolarHBondContact CB-SG 3.19Å; C926-C935 PolarHBondContact N-SG 3.18Å; C926-C935 VanDerWaalsContact N-SG 3.4Å; C926-C935 WeakPolarHBondContact SG-CA 3.49Å; C926-C935 WeakPolarHBondContact SG-CB 3.09Å; C926-C935 CovalentContact SG-SG 2.03Å; C926-C935 PolarHBondContact SG-SG 2.92Å |
| 927 | Q | 77.1 | Confident | 75.4 | Confident | 100 Ų | 100 | 78.1 Ų | 78.1 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 151.5 | 166.2 | -71.8 | -140.7 | -39.7 | 0 | 0 | 110.6 | G929 F930 | Q927-G929 PolarHBondContact O-N 3.18Å; Q927-F930 HydrophobicContact CB-CD2 4.26Å; Q927-F930 PolarHBondContact O-N 2.78Å |
| 928 | P | 75.1 | Confident | 75.4 | Confident | 123 Ų | 123 | 82.7 Ų | 82.7 | 80% | 0.799 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 136.1 | 173.9 | -22.8 | 32.3 | 0 | 0 | 0 | 110.7 | ||
| 929 | G | 73.1 | Confident | 75.4 | Confident | 29 Ų | 29 | 84 Ų | 84 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -1.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q927 E938 M939 | Q927-G929 PolarHBondContact O-N 3.18Å; G929-E938 CarbonylContact O-C 3.58Å; G929-M939 WeakPolarHBondContact O-CB 3.28Å; G929-M939 PolarHBondContact O-N 3.4Å |
| 930 | F | 80.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 19% | 0.189 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.1 | 173.2 | -59 | -80.4 | 0 | 0 | 0 | 112.7 | N911 C926 Q927 C935 F937 E938 M939 | N911-F930 HydrophobicContact CB-CB 4.22Å; N911-F930 HydrophobicContact CB-CD1 3.48Å; N911-F930 VanDerWaalsContact CB-CD1 3.48Å; N911-F930 HydrophobicContact CB-CD2 3.66Å; N911-F930 HydrophobicContact CB-CE1 3.61Å; N911-F930 HydrophobicContact CB-CE2 3.8Å; N911-F930 HydrophobicContact CB-CG 3.49Å; N911-F930 VanDerWaalsContact CB-CG 3.49Å; N911-F930 HydrophobicContact CB-CZ 3.77Å; N911-F930 WeakPolarHBondContact ND2-CD1 2.99Å; N911-F930 VanDerWaalsContact ND2-CE1 3.35Å; N911-F930 WeakPolarHBondContact ND2-CE1 3.34Å; C926-F930 WeakPolarHBondContact CB-O 3.21Å; Q927-F930 HydrophobicContact CB-CD2 4.26Å; Q927-F930 PolarHBondContact O-N 2.78Å; F930-C935 HydrophobicContact CB-CB 4.4Å; F930-F937 CarbonylContact C-O 3.54Å; F930-F937 WeakPolarHBondContact CA-O 3Å; F930-E938 HydrophobicContact CD1-CB 4.17Å; F930-E938 HydrophobicContact CD1-CG 4.14Å; F930-E938 HydrophobicContact CE1-CB 4.02Å; F930-E938 HydrophobicContact CE1-CG 3.64Å; F930-E938 HydrophobicContact CZ-CG 4.33Å; F930-M939 WeakPolarHBondContact O-CE 3.38Å |
| 931 | T | 80.3 | Confident | 74.8 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 174.5 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | C935 E936 F937 | T931-C935 CarbonylContact O-C 3.39Å; T931-C935 VanDerWaalsContact O-CA 3.3Å; T931-C935 WeakPolarHBondContact O-CA 3.42Å; T931-E936 PolarHBondContact O-N 2.03Å; T931-E936 VanDerWaalsContact O-N 3.15Å; T931-F937 HydrophobicContact CG2-CB 3.72Å; T931-F937 PolarHBondContact N-O 2.72Å; T931-F937 WeakPolarHBondContact O-CB 3.5Å; T931-F937 PolarHBondContact O-N 3.07Å |
| 932 | G | 75.1 | Confident | 73.6 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 21% | 0.206 | 45% | 0.445 | C | S | . | . | S | Bend | trans | 101.7 | 158.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L934 C935 E936 | G932-L934 PolarHBondContact O-N 3.49Å; G932-C935 PolarHBondContact O-N 3.47Å; G932-E936 WeakPolarHBondContact CA-OE2 3.37Å |
| 933 | P | 78.1 | Confident | 71.6 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 66% | 0.662 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.6 | -176.9 | 24.5 | -33.1 | 0 | 0 | 0 | 113.9 | E936 | P933-E936 WeakPolarHBondContact CD-OE1 3.22Š|
| 934 | L | 83.4 | Confident | 69.3 | Low | 45 Ų | 45 | 88 Ų | 88 | 24% | 0.236 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 12 | 170.8 | -58.6 | 177.6 | 0 | 0 | 0 | 111.5 | M908 C909 K910 Y922 G932 E936 | M908-L934 HydrophobicContact CB-CD2 4.16Å; C909-L934 CarbonylContact C-O 3.55Å; K910-L934 WeakPolarHBondContact CB-O 3.25Å; K910-L934 HydrophobicContact CG-CB 4.49Å; K910-L934 PolarHBondContact N-O 3.09Å; Y922-L934 HydrophobicContact CE2-CD2 3.61Å; Y922-L934 WeakPolarHBondContact OH-CD2 3.31Å; G932-L934 PolarHBondContact O-N 3.49Å; L934-E936 VanDerWaalsContact CA-OE2 3.23Å; L934-E936 WeakPolarHBondContact CA-OE2 3.45Å; L934-E936 WeakPolarHBondContact CB-OE2 3.37Å; L934-E936 PolarHBondContact N-OE2 2.88Å; L934-E936 PolarHBondContact O-N 3.5Å |
| 935 | C | 84.6 | Confident | 66.9 | Low | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 53% | 0.525 | C | S | . | . | S | Bend | trans | 57.8 | 33.8 | -173.9 | -48.3 | 0 | 0 | 0 | 0 | 113.8 | N911 S913 C924 C926 F930 T931 G932 | N911-C935 PolarHBondContact ND2-O 3.45Å; S913-C935 WeakPolarHBondContact CB-SG 3.31Å; S913-C935 WeakPolarHBondContact OG-CB 3.45Å; S913-C935 PolarHBondContact OG-SG 3.34Å; C924-C935 VanDerWaalsContact CB-SG 3.53Å; C926-C935 WeakPolarHBondContact CA-SG 3.46Å; C926-C935 HydrophobicContact CB-CB 3.65Å; C926-C935 WeakPolarHBondContact CB-SG 3.19Å; C926-C935 PolarHBondContact N-SG 3.18Å; C926-C935 VanDerWaalsContact N-SG 3.4Å; C926-C935 WeakPolarHBondContact SG-CA 3.49Å; C926-C935 WeakPolarHBondContact SG-CB 3.09Å; C926-C935 CovalentContact SG-SG 2.03Å; C926-C935 PolarHBondContact SG-SG 2.92Å; F930-C935 HydrophobicContact CB-CB 4.4Å; T931-C935 CarbonylContact O-C 3.39Å; T931-C935 VanDerWaalsContact O-CA 3.3Å; T931-C935 WeakPolarHBondContact O-CA 3.42Å; G932-C935 PolarHBondContact O-N 3.47Å |
| 936 | E | 86 | Confident | 64.4 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 32% | 0.322 | 54% | 0.544 | S | S | . | . | trans | -82.8 | -13.6 | -172.8 | 66.6 | -90.7 | -138.8 | 0 | 0 | 114.9 | K910 T931 G932 P933 L934 | K910-E936 HydrophobicContact CB-CB 4.3Å; K910-E936 HydrophobicContact CG-CB 4.04Å; T931-E936 PolarHBondContact O-N 2.03Å; T931-E936 VanDerWaalsContact O-N 3.15Å; G932-E936 WeakPolarHBondContact CA-OE2 3.37Å; P933-E936 WeakPolarHBondContact CD-OE1 3.22Å; L934-E936 VanDerWaalsContact CA-OE2 3.23Å; L934-E936 WeakPolarHBondContact CA-OE2 3.45Å; L934-E936 WeakPolarHBondContact CB-OE2 3.37Å; L934-E936 PolarHBondContact N-OE2 2.88Å; L934-E936 PolarHBondContact O-N 3.5Å | ||
| 937 | F | 78.6 | Confident | 62.2 | Low | 118 Ų | 118 | 96.3 Ų | 96.3 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.7 | -177.2 | -56.2 | -65.3 | 0 | 0 | 0 | 111.3 | F930 T931 | F930-F937 CarbonylContact C-O 3.54Å; F930-F937 WeakPolarHBondContact CA-O 3Å; T931-F937 HydrophobicContact CG2-CB 3.72Å; T931-F937 PolarHBondContact N-O 2.72Å; T931-F937 WeakPolarHBondContact O-CB 3.5Å; T931-F937 PolarHBondContact O-N 3.07Å |
| 938 | E | 72.4 | Confident | 60.1 | Low | 149 Ų | 149 | 97.4 Ų | 97.4 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 130.4 | 173.6 | -154.6 | 166.3 | -141 | 0 | 0 | 109.6 | G929 F930 | G929-E938 CarbonylContact O-C 3.58Å; F930-E938 HydrophobicContact CD1-CB 4.17Å; F930-E938 HydrophobicContact CD1-CG 4.14Å; F930-E938 HydrophobicContact CE1-CB 4.02Å; F930-E938 HydrophobicContact CE1-CG 3.64Å; F930-E938 HydrophobicContact CZ-CG 4.33Å |
| 939 | M | 59.2 | Low | 58.1 | Low | 99 Ų | 99 | 98.3 Ų | 98.3 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 127.5 | 172.7 | -68.8 | -169.7 | -132.4 | 0 | 0 | 108.2 | G929 F930 G941 | G929-M939 WeakPolarHBondContact O-CB 3.28Å; G929-M939 PolarHBondContact O-N 3.4Å; F930-M939 WeakPolarHBondContact O-CE 3.38Å; M939-G941 PolarHBondContact O-N 3.14Å |
| 940 | P | 52.4 | Low | 56.1 | Low | 128 Ų | 128 | 105 Ų | 105 | 83% | 0.831 | 61% | 0.608 | S | S | * | * | trans | -64.4 | 106.7 | 177.8 | 23.3 | -30.2 | 0 | 0 | 0 | 110.3 | ||||
| 941 | G | 49.7 | Very low | 53.9 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | trans | -72.1 | 123.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | M939 L943 | M939-G941 PolarHBondContact O-N 3.14Å; G941-L943 PolarHBondContact O-N 3.21Å | ||
| 942 | I | 34.1 | Very low | 51.7 | Low | 152 Ų | 152 | 110 Ų | 110 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | trans | -77 | 113.2 | 175.5 | -60.7 | 170.5 | 0 | 0 | 0 | 108.2 | ||||
| 943 | L | 36 | Very low | 49.8 | Very low | 171 Ų | 171 | 116.7 Ų | 116.7 | 90% | 0.895 | 68% | 0.676 | S | S | * | * | trans | -108.7 | 122.5 | 162.3 | -89.1 | 162.6 | 0 | 0 | 0 | 108.8 | G941 | G941-L943 PolarHBondContact O-N 3.21Š| ||
| 944 | F | 30 | Very low | 47.7 | Very low | 199 Ų | 199 | 114.8 Ų | 114.8 | 87% | 0.873 | 68% | 0.676 | S | S | * | * | trans | -66.6 | 125 | 172.4 | -75.6 | -97.7 | 0 | 0 | 0 | 110.4 | ||||
| 945 | S | 34.9 | Very low | 45.2 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -146.4 | 122.9 | 147.9 | 71.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 946 | S | 31.2 | Very low | 42.9 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -57.5 | 124.4 | 177.1 | 49 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 947 | A | 33.7 | Very low | 40.6 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -169.4 | 111 | 146.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 948 | S | 32.7 | Very low | 38.7 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 54 | 97.3 | 143.8 | -48.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 949 | I | 33.3 | Very low | 37.5 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | -80.8 | 137.6 | 154.7 | -69.1 | 169.5 | 0 | 0 | 0 | 109 | I951 | I949-I951 HydrophobicContact CG2-CB 4.36Å; I949-I951 HydrophobicContact CG2-CD1 3.55Å; I949-I951 HydrophobicContact CG2-CG1 3.48Å; I949-I951 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 950 | I | 31.9 | Very low | 37.4 | Very low | 170 Ų | 170 | 129 Ų | 129 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -124.5 | 109.7 | 151.7 | -60.9 | 179 | 0 | 0 | 0 | 106.3 | ||||
| 951 | I | 35.2 | Very low | 37.8 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 67% | 0.672 | 74% | 0.742 | S | S | * | * | trans | -98.8 | 133.2 | 168.7 | -67.7 | 156.9 | 0 | 0 | 0 | 106.3 | I949 | I949-I951 HydrophobicContact CG2-CB 4.36Å; I949-I951 HydrophobicContact CG2-CD1 3.55Å; I949-I951 HydrophobicContact CG2-CG1 3.48Å; I949-I951 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 952 | A | 34.4 | Very low | 38.7 | Very low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -98 | 105.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 953 | D | 35.1 | Very low | 40.1 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | 24 | 133.4 | 150.3 | -56.6 | -29.5 | 0 | 0 | 0 | 119.6 | ||||
| 954 | G | 33.1 | Very low | 41.3 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | cis | 176.6 | 154.5 | 6.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 955 | S | 31.6 | Very low | 42.8 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | 63.4 | 121.4 | 174.4 | 78.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 956 | W | 35.3 | Very low | 44.2 | Very low | 237 Ų | 237 | 121 Ų | 121 | 90% | 0.898 | 69% | 0.688 | S | S | * | * | -142.7 | 158.5 | 54.2 | -83.3 | 69.4 | 0 | 0 | 0 | 112.9 | |||||
| 957 | S | 38.2 | Very low | 46.5 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -48.1 | 144.5 | -175 | 48.9 | 0 | 0 | 0 | 0 | 117 | L959 | S957-L959 PolarHBondContact O-N 2.8Š| ||
| 958 | S | 38.9 | Very low | 48.6 | Very low | 123 Ų | 123 | 117 Ų | 117 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | trans | -52.6 | 112.8 | 175 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 959 | L | 46.9 | Very low | 50.6 | Low | 124 Ų | 124 | 112.1 Ų | 112.1 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | trans | -83.6 | 116.3 | 160.1 | -149.2 | 80.9 | 0 | 0 | 0 | 107.4 | S957 L961 | S957-L959 PolarHBondContact O-N 2.8Å; L959-L961 PolarHBondContact O-N 3.31Å | ||
| 960 | D | 56.4 | Low | 52.7 | Low | 88 Ų | 88 | 112.6 Ų | 112.6 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | trans | -74.7 | 90.7 | 173.8 | -168.3 | -5.8 | 0 | 0 | 0 | 107.5 | C962 K963 | D960-C962 PolarHBondContact O-N 3.35Å; D960-K963 HydrophobicContact CB-CB 4.04Å; D960-K963 HydrophobicContact CB-CD 3.93Å; D960-K963 HydrophobicContact CB-CG 4.14Å; D960-K963 PolarHBondContact O-N 2.94Å; D960-K963 WeakPolarHBondContact OD2-CD 3.11Å; D960-K963 WeakPolarHBondContact OD2-CE 3.27Å; D960-K963 WeakPolarHBondContact OD2-CG 3.09Å; D960-K963 IonicContact OD2-NZ 2.77Å; D960-K963 PolarHBondContact OD2-NZ 3.38Å | ||
| 961 | L | 60.4 | Low | 55 | Low | 32 Ų | 32 | 105.2 Ų | 105.2 | 17% | 0.168 | 58% | 0.581 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -55.5 | -18.4 | -171.8 | -97.7 | 95.3 | 0 | 0 | 0 | 114.1 | L959 H965 L979 Y981 | L959-L961 PolarHBondContact O-N 3.31Å; L961-H965 PolarHBondContact O-CD2 3.29Å; L961-L979 HydrophobicContact CD1-CD2 4.49Å; L961-L979 VanDerWaalsContact CD2-C 3.42Å; L961-Y981 HydrophobicContact CD2-CD1 4.24Å |
| 962 | C | 69.8 | Low | 57.3 | Low | 43 Ų | 43 | 103.3 Ų | 103.3 | 29% | 0.291 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -2.1 | 178.2 | -66.4 | 0 | 0 | 0 | 0 | 114.2 | D960 C973 | D960-C962 PolarHBondContact O-N 3.35Å; C962-C973 WeakPolarHBondContact CA-SG 2.99Å; C962-C973 HydrophobicContact CB-CB 3.67Å; C962-C973 WeakPolarHBondContact CB-SG 3.19Å; C962-C973 VanDerWaalsContact SG-C 3.56Å; C962-C973 WeakPolarHBondContact SG-CB 3.23Å; C962-C973 CovalentContact SG-SG 2.04Å; C962-C973 PolarHBondContact SG-SG 2.89Å |
| 963 | K | 64.2 | Low | 59.6 | Low | 169 Ų | 169 | 100.3 Ų | 100.3 | 74% | 0.735 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -29.1 | -179.5 | -103.7 | -178.2 | -173.7 | 156.1 | 0 | 114.6 | D960 | D960-K963 HydrophobicContact CB-CB 4.04Å; D960-K963 HydrophobicContact CB-CD 3.93Å; D960-K963 HydrophobicContact CB-CG 4.14Å; D960-K963 PolarHBondContact O-N 2.94Å; D960-K963 WeakPolarHBondContact OD2-CD 3.11Å; D960-K963 WeakPolarHBondContact OD2-CE 3.27Å; D960-K963 WeakPolarHBondContact OD2-CG 3.09Å; D960-K963 IonicContact OD2-NZ 2.77Å; D960-K963 PolarHBondContact OD2-NZ 3.38Å |
| 964 | E | 61 | Low | 61.7 | Low | 162 Ų | 162 | 94.1 Ų | 94.1 | 76% | 0.757 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -108.7 | -15.2 | -178.4 | -70.4 | -170.9 | 160.9 | 0 | 0 | 113.8 | ||
| 965 | H | 60.2 | Low | 63.6 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 38% | 0.384 | 52% | 0.518 | S | S | . | . | trans | -103.6 | 111.2 | -172.4 | -67.9 | -58.5 | 0 | 0 | 0 | 112.2 | L961 C967 Y981 | L961-H965 PolarHBondContact O-CD2 3.29Å; H965-C967 PolarHBondContact O-N 3.46Å; H965-Y981 HydrophobicContact CB-CE1 3.86Å; H965-Y981 HydrophobicContact CB-CE2 3.87Å; H965-Y981 VanDerWaalsContact CB-CZ 3.45Å; H965-Y981 WeakPolarHBondContact CB-OH 3.2Å; H965-Y981 AromaticContact CD2-CE1 3.73Å; H965-Y981 AromaticContact CG-CE1 3.66Å; H965-Y981 AromaticContact CG-CZ 3.67Å | ||
| 966 | K | 65.7 | Low | 65.6 | Low | 181 Ų | 181 | 95.9 Ų | 95.9 | 79% | 0.787 | 51% | 0.51 | S | S | * | . | trans | -87.8 | 98.1 | -173.5 | -67 | -178.2 | -179.9 | 178.6 | 0 | 111.4 | Q968 | K966-Q968 PolarHBondContact O-N 3.01Š| ||
| 967 | C | 78.5 | Confident | 66.4 | Low | 22 Ų | 22 | 87.2 Ų | 87.2 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | trans | -57.2 | 128.2 | 154.1 | -56.8 | 0 | 0 | 0 | 0 | 108.8 | H965 G971 C983 | H965-C967 PolarHBondContact O-N 3.46Å; C967-G971 WeakPolarHBondContact CB-O 3.39Å; C967-C983 WeakPolarHBondContact CA-SG 3.4Å; C967-C983 HydrophobicContact CB-CB 3.73Å; C967-C983 WeakPolarHBondContact CB-SG 3.38Å; C967-C983 WeakPolarHBondContact SG-CA 2.99Å; C967-C983 WeakPolarHBondContact SG-CB 3.38Å; C967-C983 CovalentContact SG-SG 2.03Å; C967-C983 PolarHBondContact SG-SG 2.94Å | ||
| 968 | Q | 78.9 | Confident | 67.1 | Low | 108 Ų | 108 | 85.9 Ų | 85.9 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -86.3 | 178.1 | 175.4 | -63 | -174 | -5.3 | 0 | 0 | 110.4 | K966 N970 G971 F993 C994 | K966-Q968 PolarHBondContact O-N 3.01Å; Q968-N970 PolarHBondContact O-N 3.35Å; Q968-G971 PolarHBondContact O-N 2.85Å; Q968-F993 WeakPolarHBondContact CA-O 3.48Å; Q968-F993 WeakPolarHBondContact CB-O 3.12Å; Q968-F993 PolarHBondContact N-O 3.46Å; Q968-C994 CarbonylContact C-O 3.44Å; Q968-C994 WeakPolarHBondContact O-CB 2.86Å |
| 969 | G | 73.6 | Confident | 68.2 | Low | 20 Ų | 20 | 87.2 Ų | 87.2 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G971 P986 | G969-G971 VanDerWaalsContact C-N 3.28Å; G969-G971 PolarHBondContact O-N 2.9Å; G969-P986 WeakPolarHBondContact O-CD 3.42Å; G969-P986 WeakPolarHBondContact O-CG 3.35Å |
| 970 | N | 77.2 | Confident | 69.2 | Low | 152 Ų | 152 | 88.3 Ų | 88.3 | 81% | 0.813 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 28.6 | -169.3 | -74.7 | -10 | 0 | 0 | 0 | 114.8 | Q968 P986 | Q968-N970 PolarHBondContact O-N 3.35Å; N970-P986 HydrophobicContact CB-CG 4.17Å |
| 971 | G | 80.8 | Confident | 70.3 | Confident | 15 Ų | 15 | 86.2 Ų | 86.2 | 16% | 0.155 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 141.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | C967 Q968 G969 L984 | C967-G971 WeakPolarHBondContact CB-O 3.39Å; Q968-G971 PolarHBondContact O-N 2.85Å; G969-G971 VanDerWaalsContact C-N 3.28Å; G969-G971 PolarHBondContact O-N 2.9Å; G971-L984 CarbonylContact C-O 3.21Å; G971-L984 WeakPolarHBondContact CA-O 3.05Å |
| 972 | T | 83.2 | Confident | 71.3 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 123.8 | 178.1 | -44 | 0 | 0 | 0 | 0 | 110.1 | L984 | T972-L984 PolarHBondContact N-O 3.28Å; T972-L984 PolarHBondContact O-N 2.8Å |
| 973 | C | 83.1 | Confident | 72.1 | Confident | 30 Ų | 30 | 86.7 Ų | 86.7 | 20% | 0.203 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.3 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | C962 I982 | C962-C973 WeakPolarHBondContact CA-SG 2.99Å; C962-C973 HydrophobicContact CB-CB 3.67Å; C962-C973 WeakPolarHBondContact CB-SG 3.19Å; C962-C973 VanDerWaalsContact SG-C 3.56Å; C962-C973 WeakPolarHBondContact SG-CB 3.23Å; C962-C973 CovalentContact SG-SG 2.04Å; C962-C973 PolarHBondContact SG-SG 2.89Å; C973-I982 WeakPolarHBondContact CA-O 3.5Å |
| 974 | A | 78.5 | Confident | 73 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 24% | 0.24 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y981 I982 L984 | A974-Y981 CarbonylContact O-C 3.5Å; A974-Y981 VanDerWaalsContact O-CA 3.31Å; A974-Y981 WeakPolarHBondContact O-CA 3.01Å; A974-I982 HydrophobicContact CB-CG2 4.08Å; A974-I982 PolarHBondContact N-O 3.28Å; A974-I982 PolarHBondContact O-N 2.03Å; A974-L984 HydrophobicContact CB-CD1 4.46Å |
| 975 | P | 73.4 | Confident | 74 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 140.2 | 175.4 | 28.3 | -31.7 | 0 | 0 | 0 | 111.7 | ||
| 976 | I | 73.1 | Confident | 75 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 56% | 0.564 | 44% | 0.444 | S | S | * | . | trans | -116.4 | 16.9 | -175.6 | 13.8 | 169.7 | 0 | 0 | 0 | 114.5 | K980 I982 | I976-K980 HydrophobicContact CD1-CB 4.37Å; I976-K980 HydrophobicContact CG1-CB 4.21Å; I976-K980 PolarHBondContact N-O 3.48Å; I976-I982 HydrophobicContact CD1-CB 3.86Å; I976-I982 HydrophobicContact CD1-CG2 4.25Å; I976-I982 HydrophobicContact CG1-CB 4.36Å; I976-I982 HydrophobicContact CG1-CG2 4.34Å | ||
| 977 | G | 51.9 | Low | 75.5 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 82.6 | 141.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 978 | G | 53.9 | Low | 75.4 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 73% | 0.732 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 65.2 | -176.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K980 | G978-K980 PolarHBondContact O-N 2.03Š|
| 979 | L | 62.7 | Low | 75.5 | Confident | 152 Ų | 152 | 77.7 Ų | 77.7 | 80% | 0.796 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -69.2 | 40.5 | 177.8 | -65.7 | 165.1 | 0 | 0 | 0 | 113.2 | L961 | L961-L979 HydrophobicContact CD1-CD2 4.49Å; L961-L979 VanDerWaalsContact CD2-C 3.42Å |
| 980 | K | 66.8 | Low | 75.7 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | trans | -121.7 | 142.9 | -177.1 | -65.1 | -176 | 179.6 | -179.1 | 0 | 111.9 | I976 G978 | I976-K980 HydrophobicContact CD1-CB 4.37Å; I976-K980 HydrophobicContact CG1-CB 4.21Å; I976-K980 PolarHBondContact N-O 3.48Å; G978-K980 PolarHBondContact O-N 2.03Å | ||
| 981 | Y | 80.2 | Confident | 75.6 | Confident | 43 Ų | 43 | 72.9 Ų | 72.9 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 162 | 171.7 | 69.9 | -82.7 | 0 | 0 | 0 | 110.7 | L961 H965 A974 F993 | L961-Y981 HydrophobicContact CD2-CD1 4.24Å; H965-Y981 HydrophobicContact CB-CE1 3.86Å; H965-Y981 HydrophobicContact CB-CE2 3.87Å; H965-Y981 VanDerWaalsContact CB-CZ 3.45Å; H965-Y981 WeakPolarHBondContact CB-OH 3.2Å; H965-Y981 AromaticContact CD2-CE1 3.73Å; H965-Y981 AromaticContact CG-CE1 3.66Å; H965-Y981 AromaticContact CG-CZ 3.67Å; A974-Y981 CarbonylContact O-C 3.5Å; A974-Y981 VanDerWaalsContact O-CA 3.31Å; A974-Y981 WeakPolarHBondContact O-CA 3.01Å; Y981-F993 HydrophobicContact CE2-CD1 4.29Å; Y981-F993 AromaticContact CZ-CE1 3.86Å; Y981-F993 HydrophobicContact CE2-CE1 4.03Å; Y981-F993 WeakPolarHBondContact OH-CE1 2.96Å |
| 982 | I | 81.3 | Confident | 75.6 | Confident | 74 Ų | 74 | 78.1 Ų | 78.1 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.6 | 173.4 | -169.6 | 168 | 0 | 0 | 0 | 110.1 | C973 A974 I976 | C973-I982 WeakPolarHBondContact CA-O 3.5Å; A974-I982 HydrophobicContact CB-CG2 4.08Å; A974-I982 PolarHBondContact N-O 3.28Å; A974-I982 PolarHBondContact O-N 2.03Å; I976-I982 HydrophobicContact CD1-CB 3.86Å; I976-I982 HydrophobicContact CD1-CG2 4.25Å; I976-I982 HydrophobicContact CG1-CB 4.36Å; I976-I982 HydrophobicContact CG1-CG2 4.34Å |
| 983 | C | 85.2 | Confident | 75.6 | Confident | 11 Ų | 11 | 77.8 Ų | 77.8 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.7 | 172.6 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | C967 C985 | C967-C983 WeakPolarHBondContact CA-SG 3.4Å; C967-C983 HydrophobicContact CB-CB 3.73Å; C967-C983 WeakPolarHBondContact CB-SG 3.38Å; C967-C983 WeakPolarHBondContact SG-CA 2.99Å; C967-C983 WeakPolarHBondContact SG-CB 3.38Å; C967-C983 CovalentContact SG-SG 2.03Å; C967-C983 PolarHBondContact SG-SG 2.94Å; C983-C985 PolarHBondContact O-N 2.81Å |
| 984 | L | 83.4 | Confident | 75.7 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 51% | 0.513 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 103.4 | 175.2 | -59.4 | 173.7 | 0 | 0 | 0 | 109.2 | G971 T972 A974 | G971-L984 CarbonylContact C-O 3.21Å; G971-L984 WeakPolarHBondContact CA-O 3.05Å; T972-L984 PolarHBondContact N-O 3.28Å; T972-L984 PolarHBondContact O-N 2.8Å; A974-L984 HydrophobicContact CB-CD1 4.46Å |
| 985 | C | 82 | Confident | 75.9 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 32% | 0.324 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 131.9 | -174.8 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | C983 Y989 C994 | C983-C985 PolarHBondContact O-N 2.81Å; C985-Y989 WeakPolarHBondContact CB-O 3.49Å; C985-C994 CovalentContact SG-SG 2.03Å; C985-C994 PolarHBondContact SG-SG 2.91Å; C985-C994 WeakPolarHBondContact SG-CB 3.43Å; C985-C994 WeakPolarHBondContact SG-CA 3.14Å; C985-C994 VanDerWaalsContact N-SG 3.45Å; C985-C994 PolarHBondContact N-SG 3.38Å; C985-C994 WeakPolarHBondContact CB-SG 3.4Å; C985-C994 HydrophobicContact CB-CB 3.71Å; C985-C994 WeakPolarHBondContact CA-SG 3.33Å |
| 986 | P | 81.3 | Confident | 76.1 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 163.9 | 171.1 | 27.8 | -31.6 | 0 | 0 | 0 | 111.3 | G969 N970 G988 Y989 | G969-P986 WeakPolarHBondContact O-CD 3.42Å; G969-P986 WeakPolarHBondContact O-CG 3.35Å; N970-P986 HydrophobicContact CB-CG 4.17Å; P986-G988 PolarHBondContact O-N 2.85Å; P986-Y989 HydrophobicContact CG-CD2 4.09Å; P986-Y989 PolarHBondContact O-N 2.83Å; P986-Y989 VanDerWaalsContact O-N 3.11Å |
| 987 | R | 76.9 | Confident | 76.1 | Confident | 219 Ų | 219 | 77 Ų | 77 | 83% | 0.826 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 131.2 | 177.8 | -101.4 | -176.9 | 166 | 146.8 | -2.7 | 111.2 | ||
| 988 | G | 76.8 | Confident | 76.6 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P986 G997 I998 | P986-G988 PolarHBondContact O-N 2.85Å; G988-G997 CarbonylContact O-C 3.4Å; G988-G997 WeakPolarHBondContact O-CA 3.46Å; G988-I998 PolarHBondContact O-N 2.78Å |
| 989 | Y | 80.5 | Confident | 76.8 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.7 | 173.2 | -66 | -91.9 | 0 | 0 | 0 | 111.7 | C985 P986 C994 Q996 | C985-Y989 WeakPolarHBondContact CB-O 3.49Å; P986-Y989 HydrophobicContact CG-CD2 4.09Å; P986-Y989 PolarHBondContact O-N 2.83Å; P986-Y989 VanDerWaalsContact O-N 3.11Å; Y989-C994 WeakPolarHBondContact CD1-O 3Å; Y989-Q996 WeakPolarHBondContact CA-O 3.27Å; Y989-Q996 CarbonylContact C-O 3.52Å |
| 990 | S | 78.3 | Confident | 76.2 | Confident | 42 Ų | 42 | 81 Ų | 81 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 174.4 | 172.6 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | C994 E995 Q996 | S990-C994 CarbonylContact O-C 3.59Å; S990-C994 WeakPolarHBondContact O-CA 3.11Å; S990-E995 PolarHBondContact O-N 3.38Å; S990-Q996 PolarHBondContact N-O 3.19Å; S990-Q996 WeakPolarHBondContact O-CB 3.06Å; S990-Q996 PolarHBondContact O-N 2.06Å; S990-Q996 WeakPolarHBondContact OG-CB 2.91Å; S990-Q996 PolarHBondContact OG-OE1 3.19Å |
| 991 | G | 75 | Confident | 74.8 | Confident | 30 Ų | 30 | 81.9 Ų | 81.9 | 31% | 0.309 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 102.3 | 160.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F993 C994 E995 | G991-F993 PolarHBondContact O-N 2.66Å; G991-C994 VanDerWaalsContact O-N 3.15Å; G991-C994 PolarHBondContact O-N 2.92Å; G991-E995 WeakPolarHBondContact CA-OE1 3.31Å |
| 992 | H | 80 | Confident | 72.6 | Confident | 125 Ų | 125 | 93.1 Ų | 93.1 | 58% | 0.579 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.3 | -173.1 | -164.7 | -58.4 | 0 | 0 | 0 | 112.4 | E995 | H992-E995 PolarHBondContact N-OE1 3.06Å; H992-E995 PolarHBondContact N-OE2 3.21Å |
| 993 | F | 83.1 | Confident | 72.1 | Confident | 83 Ų | 83 | 94.1 Ų | 94.1 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 17.4 | 175.2 | -52.4 | -69.1 | 0 | 0 | 0 | 111.6 | Q968 Y981 G991 E995 | Q968-F993 WeakPolarHBondContact CA-O 3.48Å; Q968-F993 WeakPolarHBondContact CB-O 3.12Å; Q968-F993 PolarHBondContact N-O 3.46Å; Y981-F993 HydrophobicContact CE2-CD1 4.29Å; Y981-F993 AromaticContact CZ-CE1 3.86Å; Y981-F993 HydrophobicContact CE2-CE1 4.03Å; Y981-F993 WeakPolarHBondContact OH-CE1 2.96Å; G991-F993 PolarHBondContact O-N 2.66Å; F993-E995 VanDerWaalsContact C-N 3.26Å; F993-E995 WeakPolarHBondContact CA-OE2 3.07Å; F993-E995 WeakPolarHBondContact CB-OE2 3.42Å; F993-E995 PolarHBondContact N-OE2 2.79Å; F993-E995 PolarHBondContact O-N 2.92Å |
| 994 | C | 84.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 98.4 Ų | 98.4 | 0% | 0 | 50% | 0.502 | C | S | . | . | S | Bend | trans | 59.9 | 32.8 | -177.3 | -44.6 | 0 | 0 | 0 | 0 | 114.1 | Q968 C985 Y989 S990 G991 | Q968-C994 CarbonylContact C-O 3.44Å; Q968-C994 WeakPolarHBondContact O-CB 2.86Å; C985-C994 CovalentContact SG-SG 2.03Å; C985-C994 PolarHBondContact SG-SG 2.91Å; C985-C994 WeakPolarHBondContact SG-CB 3.43Å; C985-C994 WeakPolarHBondContact SG-CA 3.14Å; C985-C994 VanDerWaalsContact N-SG 3.45Å; C985-C994 PolarHBondContact N-SG 3.38Å; C985-C994 WeakPolarHBondContact CB-SG 3.4Å; C985-C994 HydrophobicContact CB-CB 3.71Å; C985-C994 WeakPolarHBondContact CA-SG 3.33Å; Y989-C994 WeakPolarHBondContact CD1-O 3Å; S990-C994 CarbonylContact O-C 3.59Å; S990-C994 WeakPolarHBondContact O-CA 3.11Å; G991-C994 VanDerWaalsContact O-N 3.15Å; G991-C994 PolarHBondContact O-N 2.92Å |
| 995 | E | 84.3 | Confident | 70.8 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | trans | -82.3 | -17.1 | -174.9 | 68.5 | -77.9 | -177.8 | 0 | 0 | 114.3 | S990 G991 H992 F993 | S990-E995 PolarHBondContact O-N 3.38Å; G991-E995 WeakPolarHBondContact CA-OE1 3.31Å; H992-E995 PolarHBondContact N-OE1 3.06Å; H992-E995 PolarHBondContact N-OE2 3.21Å; F993-E995 VanDerWaalsContact C-N 3.26Å; F993-E995 WeakPolarHBondContact CA-OE2 3.07Å; F993-E995 WeakPolarHBondContact CB-OE2 3.42Å; F993-E995 PolarHBondContact N-OE2 2.79Å; F993-E995 PolarHBondContact O-N 2.92Å | ||
| 996 | Q | 77.1 | Confident | 70.1 | Confident | 112 Ų | 112 | 101.4 Ų | 101.4 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.6 | -178.5 | -63.3 | 178 | -10.3 | 0 | 0 | 110.9 | Y989 S990 | Y989-Q996 WeakPolarHBondContact CA-O 3.27Å; Y989-Q996 CarbonylContact C-O 3.52Å; S990-Q996 PolarHBondContact N-O 3.19Å; S990-Q996 WeakPolarHBondContact O-CB 3.06Å; S990-Q996 PolarHBondContact O-N 2.06Å; S990-Q996 WeakPolarHBondContact OG-CB 2.91Å; S990-Q996 PolarHBondContact OG-OE1 3.19Å |
| 997 | G | 71.8 | Confident | 69.4 | Low | 54 Ų | 54 | 104.6 Ų | 104.6 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G988 | G988-G997 CarbonylContact O-C 3.4Å; G988-G997 WeakPolarHBondContact O-CA 3.46Å |
| 998 | I | 63.9 | Low | 68.9 | Low | 85 Ų | 85 | 97 Ų | 97 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 119.2 | 174.4 | -52.8 | 173.2 | 0 | 0 | 0 | 107.9 | G988 F1000 | G988-I998 PolarHBondContact O-N 2.78Å; I998-F1000 PolarHBondContact O-N 3.37Å; I998-F1000 VanDerWaalsContact O-N 3.08Å |
| 999 | P | 57.8 | Low | 68.4 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 77% | 0.766 | 53% | 0.529 | S | S | * | . | trans | -68.5 | 107.8 | 176.1 | -10.1 | 24.5 | 0 | 0 | 0 | 109.7 | L1001 | P999-L1001 PolarHBondContact O-N 2.8Š| ||
| 1000 | F | 49.4 | Very low | 67.4 | Low | 161 Ų | 161 | 102.6 Ų | 102.6 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -73.4 | 107 | 163.5 | -81 | -85.1 | 0 | 0 | 0 | 108.5 | I998 | I998-F1000 PolarHBondContact O-N 3.37Å; I998-F1000 VanDerWaalsContact O-N 3.08Å | ||
| 1001 | L | 37.8 | Very low | 66.5 | Low | 165 Ų | 165 | 107.7 Ų | 107.7 | 86% | 0.864 | 56% | 0.558 | S | S | * | * | trans | -74.1 | 131 | 154.9 | -88.4 | 150.4 | 0 | 0 | 0 | 107.7 | P999 | P999-L1001 PolarHBondContact O-N 2.8Š| ||
| 1002 | K | 33.6 | Very low | 65.8 | Low | 278 Ų | 278 | 114.7 Ų | 114.7 | 100% | 1.209 | 58% | 0.58 | S | S | * | * | trans | -54.8 | 0 | 176.5 | -91.1 | -176.7 | 173.5 | 179.7 | 0 | 113 |
Retrieved 1,002 of 1,002 residues in 965.5 ms
(Link to these results)