| 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 | 33.5 | Very low | 55.5 | Low | 225 Ų | 225 | 102.2 Ų | 102.2 | 100% | 1.108 | 59% | 0.588 | S | S | * | * | 0 | -30.1 | 0 | -69.2 | -67.1 | 169.8 | 0 | 0 | 113.7 | |||||
| 2 | A | 48.4 | Very low | 57.2 | Low | 83 Ų | 83 | 102.7 Ų | 102.7 | 69% | 0.686 | 58% | 0.578 | S | S | * | * | trans | -78.3 | -27.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | T4 G5 | A2-T4 PolarHBondContact O-N 3.03Å; A2-G5 PolarHBondContact O-N 3.12Å | ||
| 3 | S | 47.7 | Very low | 59.2 | Low | 99 Ų | 99 | 95.1 Ų | 95.1 | 69% | 0.692 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -29.8 | -172 | -44.5 | 0 | 0 | 0 | 0 | 114.1 | G5 T7 | S3-G5 VanDerWaalsContact C-N 3.3Å; S3-G5 PolarHBondContact O-N 3.09Å; S3-T7 PolarHBondContact O-OG1 3.12Å |
| 4 | T | 46.5 | Very low | 60.9 | Low | 103 Ų | 103 | 91.7 Ų | 91.7 | 63% | 0.632 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.5 | -20 | 179.7 | 2.2 | 0 | 0 | 0 | 0 | 113.2 | A2 T7 N8 | A2-T4 PolarHBondContact O-N 3.03Å; T4-T7 PolarHBondContact O-OG1 2.65Å; T4-N8 WeakPolarHBondContact O-CB 3.4Å |
| 5 | G | 50.5 | Low | 62.7 | Low | 40 Ų | 40 | 85.6 Ų | 85.6 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78.3 | -41.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2 S3 I9 | A2-G5 PolarHBondContact O-N 3.12Å; S3-G5 VanDerWaalsContact C-N 3.3Å; S3-G5 PolarHBondContact O-N 3.09Å; G5-I9 WeakPolarHBondContact O-CG1 3.34Å; G5-I9 PolarHBondContact O-N 3.35Å |
| 6 | L | 56.3 | Low | 64.1 | Low | 110 Ų | 110 | 84.7 Ų | 84.7 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.7 | -40.5 | -177.1 | -83.8 | 159.4 | 0 | 0 | 0 | 112.9 | N8 I9 Q10 | L6-N8 VanDerWaalsContact C-N 3.3Å; L6-N8 PolarHBondContact O-N 3.33Å; L6-I9 PolarHBondContact O-N 3.22Å; L6-Q10 PolarHBondContact O-N 3.12Å |
| 7 | T | 58.2 | Low | 65.4 | Low | 73 Ų | 73 | 83.5 Ų | 83.5 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.1 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | S3 T4 I9 Q10 E11 | S3-T7 PolarHBondContact O-OG1 3.12Å; T4-T7 PolarHBondContact O-OG1 2.65Å; T7-I9 VanDerWaalsContact C-N 3.3Å; T7-I9 PolarHBondContact O-N 3.3Å; T7-Q10 PolarHBondContact O-N 3.46Å; T7-E11 PolarHBondContact O-N 3.46Å |
| 8 | N | 62.8 | Low | 66.6 | Low | 77 Ų | 77 | 81.8 Ų | 81.8 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.8 | -26.9 | 179.8 | -154.8 | -16.4 | 0 | 0 | 0 | 112.8 | T4 L6 K12 | T4-N8 WeakPolarHBondContact O-CB 3.4Å; L6-N8 VanDerWaalsContact C-N 3.3Å; L6-N8 PolarHBondContact O-N 3.33Å; N8-K12 VanDerWaalsContact O-CD 3.27Å; N8-K12 WeakPolarHBondContact O-CD 3.07Å; N8-K12 VanDerWaalsContact O-CG 3.23Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 WeakPolarHBondContact OD1-CE 3.26Å; N8-K12 PolarHBondContact OD1-NZ 3.22Å |
| 9 | I | 68.9 | Low | 67.6 | Low | 77 Ų | 77 | 85.9 Ų | 85.9 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -79.8 | -39.3 | 173 | -64.8 | 168.3 | 0 | 0 | 0 | 111.1 | G5 L6 T7 K12 T13 L80 | G5-I9 WeakPolarHBondContact O-CG1 3.34Å; G5-I9 PolarHBondContact O-N 3.35Å; L6-I9 PolarHBondContact O-N 3.22Å; T7-I9 VanDerWaalsContact C-N 3.3Å; T7-I9 PolarHBondContact O-N 3.3Å; I9-K12 PolarHBondContact O-N 3.13Å; I9-T13 HydrophobicContact CG2-CG2 4.33Å; I9-T13 WeakPolarHBondContact O-CG2 3.46Å; I9-T13 PolarHBondContact O-N 2.94Å; I9-T13 VanDerWaalsContact O-N 3.15Å; I9-T13 PolarHBondContact O-OG1 3.06Å; I9-L80 HydrophobicContact CG2-CD1 3.64Å |
| 10 | Q | 67.3 | Low | 68.4 | Low | 86 Ų | 86 | 88.4 Ų | 88.4 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.6 | -78.7 | -174.8 | -16.7 | 0 | 0 | 111.5 | L6 T7 K12 T13 T14 L80 | L6-Q10 PolarHBondContact O-N 3.12Å; T7-Q10 PolarHBondContact O-N 3.46Å; Q10-K12 PolarHBondContact O-N 3.49Å; Q10-K12 VanDerWaalsContact O-N 3.13Å; Q10-T13 PolarHBondContact O-N 3.45Å; Q10-T13 PolarHBondContact O-OG1 3.27Å; Q10-T14 WeakPolarHBondContact O-CB 3.33Å; Q10-T14 PolarHBondContact O-N 3.43Å; Q10-T14 PolarHBondContact O-OG1 2.99Å; Q10-L80 HydrophobicContact CG-CD2 4.32Å |
| 11 | E | 70.5 | Confident | 69.1 | Low | 151 Ų | 151 | 85.7 Ų | 85.7 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -55.8 | -32.8 | 175.1 | -74.2 | 176.7 | -179.6 | 0 | 0 | 112.7 | T7 | T7-E11 PolarHBondContact O-N 3.46Å |
| 12 | K | 76.1 | Confident | 71.4 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 47% | 0.47 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -82 | -12.4 | 179 | -69.8 | 173.7 | -171.7 | 170.4 | 0 | 114.5 | N8 I9 Q10 | N8-K12 VanDerWaalsContact O-CD 3.27Å; N8-K12 WeakPolarHBondContact O-CD 3.07Å; N8-K12 VanDerWaalsContact O-CG 3.23Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 WeakPolarHBondContact OD1-CE 3.26Å; N8-K12 PolarHBondContact OD1-NZ 3.22Å; I9-K12 PolarHBondContact O-N 3.13Å; Q10-K12 PolarHBondContact O-N 3.49Å; Q10-K12 VanDerWaalsContact O-N 3.13Å |
| 13 | T | 82.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 3% | 0.025 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -119.2 | -4.6 | -174.4 | 53.5 | 0 | 0 | 0 | 0 | 114 | I9 Q10 L22 V76 V77 | I9-T13 HydrophobicContact CG2-CG2 4.33Å; I9-T13 WeakPolarHBondContact O-CG2 3.46Å; I9-T13 PolarHBondContact O-N 2.94Å; I9-T13 VanDerWaalsContact O-N 3.15Å; I9-T13 PolarHBondContact O-OG1 3.06Å; Q10-T13 PolarHBondContact O-N 3.45Å; Q10-T13 PolarHBondContact O-OG1 3.27Å; T13-L22 WeakPolarHBondContact O-CB 3.4Å; T13-L22 WeakPolarHBondContact O-CD1 3.48Å; T13-L22 VanDerWaalsContact O-CG 3.24Å; T13-L22 WeakPolarHBondContact O-CG 3.39Å; T13-L22 PolarHBondContact O-N 3.24Å; T13-V76 HydrophobicContact CG2-CG1 3.96Å; T13-V77 HydrophobicContact CG2-CG2 4.32Å |
| 14 | T | 84 | Confident | 74.5 | Confident | 48 Ų | 48 | 78 Ų | 78 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -90.5 | 138.8 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 111 | Q10 Q19 | Q10-T14 WeakPolarHBondContact O-CB 3.33Å; Q10-T14 PolarHBondContact O-N 3.43Å; Q10-T14 PolarHBondContact O-OG1 2.99Å; T14-Q19 WeakPolarHBondContact CG2-O 3.22Å |
| 15 | C | 86.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -74.7 | 123.2 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | V17 C18 Q19 E20 L22 C35 | C15-V17 PolarHBondContact O-N 2.98Å; C15-C18 VanDerWaalsContact CB-SG 3.51Å; C15-Q19 WeakPolarHBondContact O-CA 3.39Å; C15-Q19 PolarHBondContact O-N 3.49Å; C15-E20 WeakPolarHBondContact CB-O 3.33Å; C15-E20 PolarHBondContact N-O 3.26Å; C15-L22 HydrophobicContact CB-CD2 3.63Å; C15-L22 HydrophobicContact CB-CG 4.22Å; C15-C35 VanDerWaalsContact CB-SG 3.6Å; C15-C35 PolarHBondContact SG-N 3.36Å | ||
| 16 | P | 85.6 | Confident | 78 | Confident | 71 Ų | 71 | 72 Ų | 72 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.1 | 179 | 27.9 | -34.4 | 0 | 0 | 0 | 113.5 | R33 V34 V57 | P16-R33 WeakPolarHBondContact CD-O 3.45Å; P16-V34 HydrophobicContact CG-CG1 3.99Å; P16-V57 HydrophobicContact CB-CG2 4.08Å; P16-V57 HydrophobicContact CG-CG2 3.52Å |
| 17 | V | 86.1 | Confident | 79.4 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 39% | 0.394 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -51.6 | -178.7 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | C15 V34 C38 P56 | C15-V17 PolarHBondContact O-N 2.98Å; V17-V34 HydrophobicContact CG2-CG1 4.12Å; V17-C38 HydrophobicContact CB-CB 3.96Å; V17-C38 HydrophobicContact CG1-CB 3.95Å; V17-C38 HydrophobicContact CG2-CB 4.48Å; V17-P56 HydrophobicContact CG2-CB 4.06Å; V17-P56 HydrophobicContact CG2-CG 3.84Å |
| 18 | C | 87.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -6.3 | -179.6 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | C15 E20 C38 | C15-C18 VanDerWaalsContact CB-SG 3.51Å; C18-E20 PolarHBondContact O-N 3.39Å; C18-C38 VanDerWaalsContact CB-SG 3.59Å |
| 19 | Q | 84.3 | Confident | 81.4 | Confident | 159 Ų | 159 | 65.8 Ų | 65.8 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | trans | 61.3 | 11.3 | -178.4 | -53.5 | -178.8 | 9.9 | 0 | 0 | 115 | T14 C15 | T14-Q19 WeakPolarHBondContact CG2-O 3.22Å; C15-Q19 WeakPolarHBondContact O-CA 3.39Å; C15-Q19 PolarHBondContact O-N 3.49Å | ||
| 20 | E | 84.1 | Confident | 82.2 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -96.2 | 166.8 | 173.8 | -64.6 | -61.9 | 160.6 | 0 | 0 | 111.9 | C15 C18 L22 | C15-E20 WeakPolarHBondContact CB-O 3.33Å; C15-E20 PolarHBondContact N-O 3.26Å; C18-E20 PolarHBondContact O-N 3.39Å; E20-L22 PolarHBondContact O-N 2.71Å |
| 21 | L | 82.9 | Confident | 82.9 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -55.4 | 139.7 | 169.7 | -78.2 | 173.2 | 0 | 0 | 0 | 111 | T23 V77 L80 K84 | L21-T23 PolarHBondContact O-N 2.86Å; L21-V77 HydrophobicContact CB-CG1 3.97Å; L21-L80 HydrophobicContact CD2-CD2 3.76Å; L21-K84 HydrophobicContact CD1-CD 4.19Å |
| 22 | L | 82.2 | Confident | 83.8 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | trans | -67 | 102.3 | -175.2 | -76.5 | 163 | 0 | 0 | 0 | 112.6 | T13 C15 E20 A25 R33 V34 L73 V77 | T13-L22 WeakPolarHBondContact O-CB 3.4Å; T13-L22 WeakPolarHBondContact O-CD1 3.48Å; T13-L22 VanDerWaalsContact O-CG 3.24Å; T13-L22 WeakPolarHBondContact O-CG 3.39Å; T13-L22 PolarHBondContact O-N 3.24Å; C15-L22 HydrophobicContact CB-CD2 3.63Å; C15-L22 HydrophobicContact CB-CG 4.22Å; E20-L22 PolarHBondContact O-N 2.71Å; L22-A25 HydrophobicContact CB-CB 3.77Å; L22-A25 HydrophobicContact CD1-CB 4.11Å; L22-A25 HydrophobicContact CD2-CB 4.17Å; L22-A25 HydrophobicContact CG-CB 4.26Å; L22-R33 HydrophobicContact CD1-CB 3.97Å; L22-V34 VanDerWaalsContact CD2-C 3.41Å; L22-L73 HydrophobicContact CB-CD2 4.16Å; L22-L73 HydrophobicContact CD1-CD2 3.36Å; L22-L73 HydrophobicContact CG-CD2 4.39Å; L22-V77 HydrophobicContact CB-CG2 4.21Å | ||
| 23 | T | 80 | Confident | 84.3 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 120.5 | 169.9 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | L21 C35 | L21-T23 PolarHBondContact O-N 2.86Å; T23-C35 PolarHBondContact N-SG 2.91Å |
| 24 | K | 81.6 | Confident | 84.6 | Confident | 137 Ų | 137 | 57.4 Ų | 57.4 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 61.1 | -173.9 | -64 | -179.5 | 179.2 | 177.4 | 0 | 111.7 | L26 Q36 | K24-L26 PolarHBondContact O-N 3.06Å; K24-Q36 HydrophobicContact CB-CB 4.18Å; K24-Q36 PolarHBondContact O-N 3.46Å |
| 25 | A | 84.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 130.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 A69 N70 L73 | L22-A25 HydrophobicContact CB-CB 3.77Å; L22-A25 HydrophobicContact CD1-CB 4.11Å; L22-A25 HydrophobicContact CD2-CB 4.17Å; L22-A25 HydrophobicContact CG-CB 4.26Å; A25-A69 WeakPolarHBondContact O-CA 3.48Å; A25-N70 PolarHBondContact O-N 3.2Å; A25-L73 HydrophobicContact CB-CB 4.34Å; A25-L73 HydrophobicContact CB-CD2 3.48Å; A25-L73 VanDerWaalsContact CB-CD2 3.48Å |
| 26 | L | 85.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.5 | 169.4 | -60.6 | 178.2 | 0 | 0 | 0 | 109.3 | K24 R33 V34 Q36 L39 L67 A69 | K24-L26 PolarHBondContact O-N 3.06Å; L26-R33 WeakPolarHBondContact O-CA 3.27Å; L26-V34 PolarHBondContact N-O 2.77Å; L26-V34 PolarHBondContact O-N 3.41Å; L26-V34 VanDerWaalsContact O-N 3.15Å; L26-Q36 HydrophobicContact CD1-CB 4.19Å; L26-Q36 HydrophobicContact CD1-CG 4.24Å; L26-Q36 HydrophobicContact CG-CB 4.3Å; L26-L39 HydrophobicContact CD1-CD2 3.71Å; L26-L67 HydrophobicContact CB-CD1 4.46Å; L26-L67 HydrophobicContact CD1-CD1 4.12Å; L26-L67 HydrophobicContact CD2-CB 4.35Å; L26-A69 HydrophobicContact CD2-CB 4.31Å |
| 27 | S | 85.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.6 | 173.1 | -57 | 0 | 0 | 0 | 0 | 109 | L67 N70 | S27-L67 WeakPolarHBondContact O-CD2 3.2Å; S27-N70 PolarHBondContact OG-ND2 3.13Å |
| 28 | L | 84.4 | Confident | 84.8 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 157.5 | 179.6 | -56.3 | 178.5 | 0 | 0 | 0 | 110.3 | C30 G31 H32 V34 L39 C55 F62 L67 | L28-C30 PolarHBondContact O-N 2.92Å; L28-G31 PolarHBondContact O-N 2.76Å; L28-H32 PolarHBondContact N-O 3.35Å; L28-V34 HydrophobicContact CD1-CG2 4.34Å; L28-L39 HydrophobicContact CD2-CD2 4.3Å; L28-C55 HydrophobicContact CD1-CB 3.92Å; L28-F62 HydrophobicContact CD1-CD1 4.33Å; L28-F62 HydrophobicContact CD1-CE1 3.82Å; L28-F62 HydrophobicContact CD1-CZ 4.34Å; L28-F62 HydrophobicContact CD2-CD1 4.11Å; L28-F62 HydrophobicContact CD2-CD2 4.11Å; L28-F62 HydrophobicContact CD2-CE1 3.73Å; L28-F62 HydrophobicContact CD2-CE2 3.79Å; L28-F62 HydrophobicContact CD2-CG 4.3Å; L28-F62 HydrophobicContact CD2-CZ 3.58Å; L28-F62 HydrophobicContact CG-CE1 4.32Å; L28-L67 HydrophobicContact CD2-CD1 3.53Å; L28-L67 HydrophobicContact CD2-CD2 3.9Å; L28-L67 HydrophobicContact CD2-CG 4.4Å |
| 29 | G | 79.1 | Confident | 84.7 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 85% | 0.845 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | G31 | G29-G31 VanDerWaalsContact C-N 3.32Š|
| 30 | C | 85.5 | Confident | 84.6 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 31% | 0.311 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.9 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | L28 C58 T60 | L28-C30 PolarHBondContact O-N 2.92Å; C30-C58 VanDerWaalsContact SG-SG 3.62Å; C30-T60 HydrophobicContact CB-CG2 4.29Å |
| 31 | G | 83.4 | Confident | 84.5 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 91.2 | -13.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L28 G29 | L28-G31 PolarHBondContact O-N 2.76Å; G29-G31 VanDerWaalsContact C-N 3.32Å |
| 32 | H | 88.4 | Confident | 84.2 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | trans | -71.7 | 146.2 | 176 | -66.6 | 115.4 | 0 | 0 | 0 | 112.6 | L28 V57 C58 | L28-H32 PolarHBondContact N-O 3.35Å; H32-V57 HydrophobicContact CB-CB 4.34Å; H32-V57 HydrophobicContact CB-CG2 4.13Å; H32-V57 WeakPolarHBondContact NE2-CG1 3.46Å; H32-C58 PolarHBondContact ND1-SG 3.07Å; H32-C58 VanDerWaalsContact ND1-SG 3.39Å | ||
| 33 | R | 87.4 | Confident | 83.8 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.5 | -178 | -68.7 | 177.6 | -81.1 | -139.2 | -6.6 | 111.1 | P16 L22 L26 | P16-R33 WeakPolarHBondContact CD-O 3.45Å; L22-R33 HydrophobicContact CD1-CB 3.97Å; L26-R33 WeakPolarHBondContact O-CA 3.27Å |
| 34 | V | 88.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.2 | -176.9 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | P16 V17 L22 L26 L28 L39 P56 | P16-V34 HydrophobicContact CG-CG1 3.99Å; V17-V34 HydrophobicContact CG2-CG1 4.12Å; L22-V34 VanDerWaalsContact CD2-C 3.41Å; L26-V34 PolarHBondContact N-O 2.77Å; L26-V34 PolarHBondContact O-N 3.41Å; L26-V34 VanDerWaalsContact O-N 3.15Å; L28-V34 HydrophobicContact CD1-CG2 4.34Å; V34-L39 HydrophobicContact CG2-CB 4.17Å; V34-L39 HydrophobicContact CG2-CD1 3.97Å; V34-L39 HydrophobicContact CG2-CG 4.45Å; V34-P56 HydrophobicContact CG1-CG 3.92Å |
| 35 | C | 88 | Confident | 82.7 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 142.1 | 173.6 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | C15 T23 A37 C38 L39 | C15-C35 VanDerWaalsContact CB-SG 3.6Å; C15-C35 PolarHBondContact SG-N 3.36Å; T23-C35 PolarHBondContact N-SG 2.91Å; C35-A37 VanDerWaalsContact C-N 3.27Å; C35-A37 PolarHBondContact O-N 3.34Å; C35-C38 HydrophobicContact CB-CB 4.07Å; C35-C38 PolarHBondContact O-N 3.23Å; C35-C38 VanDerWaalsContact O-N 3.16Å; C35-L39 PolarHBondContact O-N 3Å |
| 36 | Q | 86.3 | Confident | 81.7 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.1 | -44.8 | 173.8 | -177.1 | 178.5 | 15.2 | 0 | 0 | 111.9 | K24 L26 C38 L39 I40 | K24-Q36 HydrophobicContact CB-CB 4.18Å; K24-Q36 PolarHBondContact O-N 3.46Å; L26-Q36 HydrophobicContact CD1-CB 4.19Å; L26-Q36 HydrophobicContact CD1-CG 4.24Å; L26-Q36 HydrophobicContact CG-CB 4.3Å; Q36-C38 PolarHBondContact O-N 3.47Å; Q36-L39 PolarHBondContact O-N 3.24Å; Q36-I40 HydrophobicContact CG-CD1 3.92Å; Q36-I40 VanDerWaalsContact O-CG1 3.32Å; Q36-I40 WeakPolarHBondContact O-CG1 3.46Å; Q36-I40 PolarHBondContact O-N 2.81Å |
| 37 | A | 85.3 | Confident | 80.4 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C35 L39 I40 T41 | C35-A37 VanDerWaalsContact C-N 3.27Å; C35-A37 PolarHBondContact O-N 3.34Å; A37-L39 VanDerWaalsContact C-N 3.3Å; A37-L39 PolarHBondContact O-N 3.36Å; A37-I40 PolarHBondContact O-N 3.34Å; A37-T41 PolarHBondContact O-N 2.98Å; A37-T41 PolarHBondContact O-OG1 2.84Å |
| 38 | C | 86.8 | Confident | 79.1 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 13% | 0.128 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 179 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | V17 C18 C35 Q36 K42 | V17-C38 HydrophobicContact CB-CB 3.96Å; V17-C38 HydrophobicContact CG1-CB 3.95Å; V17-C38 HydrophobicContact CG2-CB 4.48Å; C18-C38 VanDerWaalsContact CB-SG 3.59Å; C35-C38 HydrophobicContact CB-CB 4.07Å; C35-C38 PolarHBondContact O-N 3.23Å; C35-C38 VanDerWaalsContact O-N 3.16Å; Q36-C38 PolarHBondContact O-N 3.47Å; C38-K42 WeakPolarHBondContact O-CB 3.35Å; C38-K42 PolarHBondContact O-N 3.45Å |
| 39 | L | 85.3 | Confident | 77.8 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.058 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 178.1 | -165.4 | 71.9 | 0 | 0 | 0 | 111.7 | L26 L28 V34 C35 Q36 A37 K42 K43 F62 L64 L67 | L26-L39 HydrophobicContact CD1-CD2 3.71Å; L28-L39 HydrophobicContact CD2-CD2 4.3Å; V34-L39 HydrophobicContact CG2-CB 4.17Å; V34-L39 HydrophobicContact CG2-CD1 3.97Å; V34-L39 HydrophobicContact CG2-CG 4.45Å; C35-L39 PolarHBondContact O-N 3Å; Q36-L39 PolarHBondContact O-N 3.24Å; A37-L39 VanDerWaalsContact C-N 3.3Å; A37-L39 PolarHBondContact O-N 3.36Å; L39-K42 PolarHBondContact O-N 3.2Å; L39-K43 WeakPolarHBondContact O-CB 3.24Å; L39-K43 PolarHBondContact O-N 3.13Å; L39-F62 HydrophobicContact CD1-CZ 3.88Å; L39-F62 HydrophobicContact CD2-CE2 4.24Å; L39-F62 HydrophobicContact CD2-CZ 4Å; L39-F62 HydrophobicContact CG-CZ 4.43Å; L39-L64 HydrophobicContact CD2-CD1 3.63Å; L39-L64 HydrophobicContact CG-CD1 4.38Å; L39-L67 HydrophobicContact CD2-CD1 3.82Å |
| 40 | I | 82.6 | Confident | 76.7 | Confident | 79 Ų | 79 | 82 Ų | 82 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.4 | -67.4 | 166.9 | 0 | 0 | 0 | 110.6 | Q36 A37 K42 K43 N44 | Q36-I40 HydrophobicContact CG-CD1 3.92Å; Q36-I40 VanDerWaalsContact O-CG1 3.32Å; Q36-I40 WeakPolarHBondContact O-CG1 3.46Å; Q36-I40 PolarHBondContact O-N 2.81Å; A37-I40 PolarHBondContact O-N 3.34Å; I40-K42 VanDerWaalsContact C-N 3.31Å; I40-K42 PolarHBondContact O-N 3.45Å; I40-K43 PolarHBondContact O-N 3.46Å; I40-N44 PolarHBondContact O-N 2.9Å |
| 41 | T | 81.8 | Confident | 75.7 | Confident | 100 Ų | 100 | 84.6 Ų | 84.6 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.4 | -43.1 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | A37 N44 A45 | A37-T41 PolarHBondContact O-N 2.98Å; A37-T41 PolarHBondContact O-OG1 2.84Å; T41-N44 PolarHBondContact O-N 3.01Å; T41-A45 PolarHBondContact O-N 2.97Å |
| 42 | K | 77.7 | Confident | 75 | Confident | 123 Ų | 123 | 89.4 Ų | 89.4 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 177.7 | -167.2 | 69.4 | 174.3 | -179.2 | 0 | 112.2 | C38 L39 I40 A45 | C38-K42 WeakPolarHBondContact O-CB 3.35Å; C38-K42 PolarHBondContact O-N 3.45Å; L39-K42 PolarHBondContact O-N 3.2Å; I40-K42 VanDerWaalsContact C-N 3.31Å; I40-K42 PolarHBondContact O-N 3.45Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.5Å |
| 43 | K | 73.3 | Confident | 74.5 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.3 | -176.3 | 177.5 | 176.9 | 176 | 0 | 111.7 | L39 I40 A45 V46 L64 | L39-K43 WeakPolarHBondContact O-CB 3.24Å; L39-K43 PolarHBondContact O-N 3.13Å; I40-K43 PolarHBondContact O-N 3.46Å; K43-A45 PolarHBondContact O-N 3.3Å; K43-V46 PolarHBondContact O-N 2.98Å; K43-V46 VanDerWaalsContact O-N 3.1Å; K43-L64 HydrophobicContact CD-CD2 4.16Å |
| 44 | N | 70.9 | Confident | 74.3 | Confident | 129 Ų | 129 | 86.3 Ų | 86.3 | 69% | 0.69 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65 | -18.5 | 178.5 | -68.2 | -13.1 | 0 | 0 | 0 | 113.3 | I40 T41 | I40-N44 PolarHBondContact O-N 2.9Å; T41-N44 PolarHBondContact O-N 3.01Å |
| 45 | A | 66.4 | Low | 74.1 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 63% | 0.628 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -9.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T41 K42 K43 | T41-A45 PolarHBondContact O-N 2.97Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.5Å; K43-A45 PolarHBondContact O-N 3.3Å |
| 46 | V | 64.6 | Low | 74 | Confident | 73 Ų | 73 | 88.3 Ų | 88.3 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -88.7 | 123 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | K43 N48 | K43-V46 PolarHBondContact O-N 2.98Å; K43-V46 VanDerWaalsContact O-N 3.1Å; V46-N48 PolarHBondContact O-N 3.28Å; V46-N48 VanDerWaalsContact O-N 3.14Å |
| 47 | I | 57.6 | Low | 73.9 | Confident | 173 Ų | 173 | 87.6 Ų | 87.6 | 89% | 0.887 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -61.5 | -24.6 | -172.4 | -61.8 | 170.3 | 0 | 0 | 0 | 112.7 | P49 | I47-P49 WeakPolarHBondContact O-CD 3.33Š|
| 48 | N | 58.3 | Low | 74 | Confident | 98 Ų | 98 | 87.6 Ų | 87.6 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | trans | -112.7 | 103.7 | -173.6 | -149.6 | -19.8 | 0 | 0 | 0 | 112.3 | V46 R50 E51 | V46-N48 PolarHBondContact O-N 3.28Å; V46-N48 VanDerWaalsContact O-N 3.14Å; N48-R50 PolarHBondContact O-N 2.87Å; N48-R50 VanDerWaalsContact O-N 3.15Å; N48-E51 PolarHBondContact O-N 3.36Å | ||
| 49 | P | 57 | Low | 73.9 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 74% | 0.74 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.9 | -174.9 | 24 | -31.8 | 0 | 0 | 0 | 114.5 | I47 | I47-P49 WeakPolarHBondContact O-CD 3.33Š|
| 50 | R | 56 | Low | 73.9 | Confident | 236 Ų | 236 | 91.6 Ų | 91.6 | 89% | 0.891 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8 | 178.3 | -70.2 | -173.3 | 177.7 | -170.7 | 0.2 | 114.2 | N48 | N48-R50 PolarHBondContact O-N 2.87Å; N48-R50 VanDerWaalsContact O-N 3.15Å |
| 51 | E | 63.4 | Low | 74 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -80.4 | 137.5 | -178.9 | -161.2 | 170.8 | -176.8 | 0 | 0 | 112 | N48 S53 R61 | N48-E51 PolarHBondContact O-N 3.36Å; E51-S53 PolarHBondContact O-N 3.41Å; E51-R61 IonicContact OE1-CZ 2.86Å; E51-R61 IonicContact OE1-NH2 3.7Å; E51-R61 PolarHBondContact OE1-NH2 3.5Å |
| 52 | K | 69 | Low | 73.8 | Confident | 156 Ų | 156 | 92 Ų | 92 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 132.1 | 173.3 | -69.2 | -179.6 | 179.6 | 178 | 0 | 109.4 | R61 | K52-R61 HydrophobicContact CB-CB 4.37Š|
| 53 | S | 78.7 | Confident | 73.8 | Confident | 21 Ų | 21 | 89 Ų | 89 | 15% | 0.147 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 137.9 | -179.7 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | E51 R61 F62 | E51-S53 PolarHBondContact O-N 3.41Å; S53-R61 CarbonylContact O-C 3.56Å; S53-R61 WeakPolarHBondContact O-CA 3.49Å; S53-F62 WeakPolarHBondContact O-CD1 3.4Å; S53-F62 PolarHBondContact O-N 3.01Å |
| 54 | S | 82.6 | Confident | 73.7 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 148.1 | 179 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | G59 T60 F62 | S54-G59 WeakPolarHBondContact CB-O 3.37Å; S54-T60 WeakPolarHBondContact CA-O 3.49Å; S54-F62 VanDerWaalsContact C-CE1 3.44Å |
| 55 | C | 85.7 | Confident | 73.6 | Confident | 2 Ų | 2 | 89.8 Ų | 89.8 | 1% | 0.014 | 48% | 0.483 | C | S | . | . | trans | -62.2 | 126.6 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | L28 V57 G59 T60 | L28-C55 HydrophobicContact CD1-CB 3.92Å; C55-V57 PolarHBondContact O-N 3.11Å; C55-V57 VanDerWaalsContact O-N 3.12Å; C55-V57 PolarHBondContact SG-N 3.1Å; C55-V57 VanDerWaalsContact SG-N 3.38Å; C55-G59 VanDerWaalsContact O-CA 3.23Å; C55-G59 WeakPolarHBondContact O-CA 3.26Å; C55-G59 PolarHBondContact O-N 2.88Å; C55-T60 PolarHBondContact N-O 3.45Å | ||
| 56 | P | 84.2 | Confident | 73.6 | Confident | 47 Ų | 47 | 92.7 Ų | 92.7 | 31% | 0.305 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.8 | 179.3 | 28.7 | -35.2 | 0 | 0 | 0 | 113.4 | V17 V34 | V17-P56 HydrophobicContact CG2-CB 4.06Å; V17-P56 HydrophobicContact CG2-CG 3.84Å; V34-P56 HydrophobicContact CG1-CG 3.92Å |
| 57 | V | 84.5 | Confident | 74 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -49.1 | -179.1 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | P16 H32 C55 | P16-V57 HydrophobicContact CB-CG2 4.08Å; P16-V57 HydrophobicContact CG-CG2 3.52Å; H32-V57 HydrophobicContact CB-CB 4.34Å; H32-V57 HydrophobicContact CB-CG2 4.13Å; H32-V57 WeakPolarHBondContact NE2-CG1 3.46Å; C55-V57 PolarHBondContact O-N 3.11Å; C55-V57 VanDerWaalsContact O-N 3.12Å; C55-V57 PolarHBondContact SG-N 3.1Å; C55-V57 VanDerWaalsContact SG-N 3.38Å |
| 58 | C | 87.9 | Confident | 74.7 | Confident | 63 Ų | 63 | 90.8 Ų | 90.8 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -2.3 | -175.1 | 63.7 | 0 | 0 | 0 | 0 | 115.2 | C30 H32 T60 | C30-C58 VanDerWaalsContact SG-SG 3.62Å; H32-C58 PolarHBondContact ND1-SG 3.07Å; H32-C58 VanDerWaalsContact ND1-SG 3.39Å; C58-T60 VanDerWaalsContact C-N 3.26Å; C58-T60 PolarHBondContact O-N 3.23Å; C58-T60 PolarHBondContact SG-OG1 3.35Å |
| 59 | G | 84 | Confident | 75.5 | Confident | 43 Ų | 43 | 88.6 Ų | 88.6 | 44% | 0.443 | 47% | 0.467 | S | S | . | . | trans | 77.8 | -5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | S54 C55 R61 | S54-G59 WeakPolarHBondContact CB-O 3.37Å; C55-G59 VanDerWaalsContact O-CA 3.23Å; C55-G59 WeakPolarHBondContact O-CA 3.26Å; C55-G59 PolarHBondContact O-N 2.88Å; G59-R61 PolarHBondContact O-N 3.3Å | ||
| 60 | T | 86 | Confident | 76.4 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | trans | -57 | 127.3 | 178.4 | -50 | 0 | 0 | 0 | 0 | 111.3 | C30 S54 C55 C58 | C30-T60 HydrophobicContact CB-CG2 4.29Å; S54-T60 WeakPolarHBondContact CA-O 3.49Å; C55-T60 PolarHBondContact N-O 3.45Å; C58-T60 VanDerWaalsContact C-N 3.26Å; C58-T60 PolarHBondContact O-N 3.23Å; C58-T60 PolarHBondContact SG-OG1 3.35Å | ||
| 61 | R | 84 | Confident | 77.3 | Confident | 163 Ų | 163 | 82.1 Ų | 82.1 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 137.5 | 178.5 | -69.8 | 176.5 | 168.8 | 151.7 | -6.5 | 111.2 | E51 K52 S53 G59 | E51-R61 IonicContact OE1-CZ 2.86Å; E51-R61 IonicContact OE1-NH2 3.7Å; E51-R61 PolarHBondContact OE1-NH2 3.5Å; K52-R61 HydrophobicContact CB-CB 4.37Å; S53-R61 CarbonylContact O-C 3.56Å; S53-R61 WeakPolarHBondContact O-CA 3.49Å; G59-R61 PolarHBondContact O-N 3.3Å |
| 62 | F | 78.9 | Confident | 77.9 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 10% | 0.101 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.5 | 177.8 | 64.8 | -93.2 | 0 | 0 | 0 | 111.3 | L28 L39 S53 S54 L64 L67 | L28-F62 HydrophobicContact CD1-CD1 4.33Å; L28-F62 HydrophobicContact CD1-CE1 3.82Å; L28-F62 HydrophobicContact CD1-CZ 4.34Å; L28-F62 HydrophobicContact CD2-CD1 4.11Å; L28-F62 HydrophobicContact CD2-CD2 4.11Å; L28-F62 HydrophobicContact CD2-CE1 3.73Å; L28-F62 HydrophobicContact CD2-CE2 3.79Å; L28-F62 HydrophobicContact CD2-CG 4.3Å; L28-F62 HydrophobicContact CD2-CZ 3.58Å; L28-F62 HydrophobicContact CG-CE1 4.32Å; L39-F62 HydrophobicContact CD1-CZ 3.88Å; L39-F62 HydrophobicContact CD2-CE2 4.24Å; L39-F62 HydrophobicContact CD2-CZ 4Å; L39-F62 HydrophobicContact CG-CZ 4.43Å; S53-F62 WeakPolarHBondContact O-CD1 3.4Å; S53-F62 PolarHBondContact O-N 3.01Å; S54-F62 VanDerWaalsContact C-CE1 3.44Å; F62-L64 HydrophobicContact CE2-CD1 3.91Å; F62-L67 HydrophobicContact CD2-CD1 3.98Å; F62-L67 HydrophobicContact CD2-CD2 4.42Å; F62-L67 HydrophobicContact CD2-CG 4.38Å; F62-L67 HydrophobicContact CE2-CD1 3.58Å; F62-L67 HydrophobicContact CE2-CG 4.44Å; F62-L67 HydrophobicContact CZ-CD1 4.4Å |
| 63 | S | 76.6 | Confident | 78.2 | Confident | 62 Ų | 62 | 78 Ų | 78 | 43% | 0.434 | 42% | 0.419 | S | S | . | . | trans | -92.6 | 131.1 | 171.2 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | E65 | S63-E65 VanDerWaalsContact C-N 3.27Å; S63-E65 PolarHBondContact O-N 3.1Å | ||
| 64 | L | 71.5 | Confident | 77.9 | Confident | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -70.1 | -26.9 | -179.9 | -156.3 | 78.7 | 0 | 0 | 0 | 112 | L39 K43 F62 N66 L67 | L39-L64 HydrophobicContact CD2-CD1 3.63Å; L39-L64 HydrophobicContact CG-CD1 4.38Å; K43-L64 HydrophobicContact CD-CD2 4.16Å; F62-L64 HydrophobicContact CE2-CD1 3.91Å; L64-N66 PolarHBondContact O-N 3.4Å; L64-L67 HydrophobicContact CD1-CD1 4.06Å; L64-L67 PolarHBondContact O-N 3.37Å |
| 65 | E | 68.8 | Low | 77.5 | Confident | 173 Ų | 173 | 80.2 Ų | 80.2 | 81% | 0.808 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.7 | -170.6 | -68.3 | 172.5 | 175.6 | 0 | 0 | 113.6 | S63 | S63-E65 VanDerWaalsContact C-N 3.27Å; S63-E65 PolarHBondContact O-N 3.1Å |
| 66 | N | 65.5 | Low | 77.1 | Confident | 137 Ų | 137 | 83.2 Ų | 83.2 | 73% | 0.733 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -111.3 | 12.3 | -175.3 | -64 | -27 | 0 | 0 | 0 | 113.9 | L64 Q68 | L64-N66 PolarHBondContact O-N 3.4Å; N66-Q68 PolarHBondContact O-N 3.46Å |
| 67 | L | 73.3 | Confident | 76.7 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | trans | -80.5 | 108.2 | 178.8 | -66.5 | -177.2 | 0 | 0 | 0 | 111.1 | L26 S27 L28 L39 F62 L64 | L26-L67 HydrophobicContact CB-CD1 4.46Å; L26-L67 HydrophobicContact CD1-CD1 4.12Å; L26-L67 HydrophobicContact CD2-CB 4.35Å; S27-L67 WeakPolarHBondContact O-CD2 3.2Å; L28-L67 HydrophobicContact CD2-CD1 3.53Å; L28-L67 HydrophobicContact CD2-CD2 3.9Å; L28-L67 HydrophobicContact CD2-CG 4.4Å; L39-L67 HydrophobicContact CD2-CD1 3.82Å; F62-L67 HydrophobicContact CD2-CD1 3.98Å; F62-L67 HydrophobicContact CD2-CD2 4.42Å; F62-L67 HydrophobicContact CD2-CG 4.38Å; F62-L67 HydrophobicContact CE2-CD1 3.58Å; F62-L67 HydrophobicContact CE2-CG 4.44Å; F62-L67 HydrophobicContact CZ-CD1 4.4Å; L64-L67 HydrophobicContact CD1-CD1 4.06Å; L64-L67 PolarHBondContact O-N 3.37Å | ||
| 68 | Q | 72.6 | Confident | 76.1 | Confident | 171 Ų | 171 | 84.5 Ų | 84.5 | 80% | 0.799 | 45% | 0.448 | S | S | * | . | trans | -85.1 | 137 | 169.1 | -68 | -176.3 | -51.7 | 0 | 0 | 110.8 | N66 N70 | N66-Q68 PolarHBondContact O-N 3.46Å; Q68-N70 PolarHBondContact O-N 2.89Å | ||
| 69 | A | 76 | Confident | 75.2 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 131 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A25 L26 K71 | A25-A69 WeakPolarHBondContact O-CA 3.48Å; L26-A69 HydrophobicContact CD2-CB 4.31Å; A69-K71 PolarHBondContact O-N 2.84Å |
| 70 | N | 74.8 | Confident | 74.5 | Confident | 45 Ų | 45 | 89.3 Ų | 89.3 | 24% | 0.241 | 45% | 0.445 | C | S | . | . | trans | -76.9 | 92.5 | 179.3 | -169.1 | -35.7 | 0 | 0 | 0 | 109.3 | A25 S27 Q68 H72 L73 A74 | A25-N70 PolarHBondContact O-N 3.2Å; S27-N70 PolarHBondContact OG-ND2 3.13Å; Q68-N70 PolarHBondContact O-N 2.89Å; N70-H72 VanDerWaalsContact C-N 3.26Å; N70-H72 PolarHBondContact O-N 3.45Å; N70-H72 WeakPolarHBondContact OD1-CB 3.4Å; N70-H72 PolarHBondContact OD1-N 2.95Å; N70-L73 HydrophobicContact CB-CB 3.95Å; N70-L73 WeakPolarHBondContact O-CB 3.38Å; N70-L73 PolarHBondContact O-N 3.26Å; N70-L73 VanDerWaalsContact O-N 3.07Å; N70-L73 PolarHBondContact OD1-N 3.11Å; N70-A74 PolarHBondContact O-N 3.5Å; N70-A74 VanDerWaalsContact O-N 3.07Å | ||
| 71 | K | 75.5 | Confident | 73.2 | Confident | 169 Ų | 169 | 86.8 Ų | 86.8 | 74% | 0.735 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.4 | -34.8 | -179.6 | -64.3 | -176.9 | -179 | 179.5 | 0 | 112.5 | A69 L73 A74 N75 | A69-K71 PolarHBondContact O-N 2.84Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-L73 PolarHBondContact O-N 3.26Å; K71-A74 WeakPolarHBondContact O-CB 3.38Å; K71-A74 PolarHBondContact O-N 3.08Å; K71-N75 PolarHBondContact O-N 3.04Å; K71-N75 VanDerWaalsContact O-N 3.12Å |
| 72 | H | 75 | Confident | 71.9 | Confident | 154 Ų | 154 | 82.8 Ų | 82.8 | 71% | 0.713 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 174.6 | -67.1 | -67.2 | 0 | 0 | 0 | 111.4 | N70 N75 V76 | N70-H72 VanDerWaalsContact C-N 3.26Å; N70-H72 PolarHBondContact O-N 3.45Å; N70-H72 WeakPolarHBondContact OD1-CB 3.4Å; N70-H72 PolarHBondContact OD1-N 2.95Å; H72-N75 PolarHBondContact O-N 3.31Å; H72-V76 WeakPolarHBondContact O-CG2 3.17Å; H72-V76 PolarHBondContact O-N 2.96Å |
| 73 | L | 75.2 | Confident | 70.8 | Confident | 15 Ų | 15 | 86.4 Ų | 86.4 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 176.2 | -139 | 98.6 | 0 | 0 | 0 | 112.2 | L22 A25 N70 K71 N75 V76 V77 | L22-L73 HydrophobicContact CB-CD2 4.16Å; L22-L73 HydrophobicContact CD1-CD2 3.36Å; L22-L73 HydrophobicContact CG-CD2 4.39Å; A25-L73 HydrophobicContact CB-CB 4.34Å; A25-L73 HydrophobicContact CB-CD2 3.48Å; A25-L73 VanDerWaalsContact CB-CD2 3.48Å; N70-L73 HydrophobicContact CB-CB 3.95Å; N70-L73 WeakPolarHBondContact O-CB 3.38Å; N70-L73 PolarHBondContact O-N 3.26Å; N70-L73 VanDerWaalsContact O-N 3.07Å; N70-L73 PolarHBondContact OD1-N 3.11Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-L73 PolarHBondContact O-N 3.26Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 3.46Å; L73-V76 PolarHBondContact O-N 2.87Å; L73-V77 HydrophobicContact CD2-CG2 4.49Å; L73-V77 WeakPolarHBondContact O-CB 3.35Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.37Å; L73-V77 PolarHBondContact O-N 3.04Å |
| 74 | A | 73.8 | Confident | 69.5 | Low | 43 Ų | 43 | 88.9 Ų | 88.9 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N70 K71 V76 V77 E78 | N70-A74 PolarHBondContact O-N 3.5Å; N70-A74 VanDerWaalsContact O-N 3.07Å; K71-A74 WeakPolarHBondContact O-CB 3.38Å; K71-A74 PolarHBondContact O-N 3.08Å; A74-V76 VanDerWaalsContact C-N 3.35Å; A74-V76 PolarHBondContact O-N 3.42Å; A74-V77 PolarHBondContact O-N 3.48Å; A74-E78 VanDerWaalsContact O-CB 3.28Å; A74-E78 WeakPolarHBondContact O-CB 3.41Å; A74-E78 PolarHBondContact O-N 3.05Å |
| 75 | N | 72.9 | Confident | 68.4 | Low | 88 Ų | 88 | 92.5 Ų | 92.5 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 175.9 | -69.4 | 5.1 | 0 | 0 | 0 | 112.3 | K71 H72 L73 R79 | K71-N75 PolarHBondContact O-N 3.04Å; K71-N75 VanDerWaalsContact O-N 3.12Å; H72-N75 PolarHBondContact O-N 3.31Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 3.46Å; N75-R79 VanDerWaalsContact O-CB 3.31Å; N75-R79 WeakPolarHBondContact O-CB 3.5Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 3.47Å |
| 76 | V | 77.3 | Confident | 66.7 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 39% | 0.394 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 111 | T13 H72 L73 A74 R79 L80 | T13-V76 HydrophobicContact CG2-CG1 3.96Å; H72-V76 WeakPolarHBondContact O-CG2 3.17Å; H72-V76 PolarHBondContact O-N 2.96Å; L73-V76 PolarHBondContact O-N 2.87Å; A74-V76 VanDerWaalsContact C-N 3.35Å; A74-V76 PolarHBondContact O-N 3.42Å; V76-R79 PolarHBondContact O-N 3.42Å; V76-L80 WeakPolarHBondContact O-CB 3.3Å; V76-L80 PolarHBondContact O-N 2.84Å |
| 77 | V | 75.8 | Confident | 65.6 | Low | 17 Ų | 17 | 86.4 Ų | 86.4 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | T13 L21 L22 L73 A74 L80 G81 | T13-V77 HydrophobicContact CG2-CG2 4.32Å; L21-V77 HydrophobicContact CB-CG1 3.97Å; L22-V77 HydrophobicContact CB-CG2 4.21Å; L73-V77 HydrophobicContact CD2-CG2 4.49Å; L73-V77 WeakPolarHBondContact O-CB 3.35Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.37Å; L73-V77 PolarHBondContact O-N 3.04Å; A74-V77 PolarHBondContact O-N 3.48Å; V77-L80 CarbonylContact O-C 3.59Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 3.34Å; V77-G81 PolarHBondContact O-N 3.17Å |
| 78 | E | 72.8 | Confident | 64 | Low | 121 Ų | 121 | 91.6 Ų | 91.6 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 174.5 | -176.5 | 175.4 | -145.5 | 0 | 0 | 110.4 | A74 L80 G81 E82 | A74-E78 VanDerWaalsContact O-CB 3.28Å; A74-E78 WeakPolarHBondContact O-CB 3.41Å; A74-E78 PolarHBondContact O-N 3.05Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.01Å; E78-G81 CarbonylContact O-C 3.55Å; E78-G81 WeakPolarHBondContact O-CA 3.41Å; E78-G81 PolarHBondContact O-N 2.95Å; E78-G81 VanDerWaalsContact O-N 3.11Å; E78-E82 PolarHBondContact O-N 2.77Å |
| 79 | R | 69.4 | Low | 62.8 | Low | 181 Ų | 181 | 91.3 Ų | 91.3 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62 | -36.5 | 172.6 | -74 | 178.8 | -177.7 | -156.5 | 1.1 | 112.5 | N75 V76 G81 E82 V83 | N75-R79 VanDerWaalsContact O-CB 3.31Å; N75-R79 WeakPolarHBondContact O-CB 3.5Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 3.47Å; V76-R79 PolarHBondContact O-N 3.42Å; R79-G81 VanDerWaalsContact C-N 3.34Å; R79-E82 CarbonylContact O-C 3.57Å; R79-E82 PolarHBondContact O-N 3.41Å; R79-V83 WeakPolarHBondContact O-CB 3.47Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.23Å |
| 80 | L | 68.7 | Low | 61.4 | Low | 27 Ų | 27 | 91.2 Ų | 91.2 | 14% | 0.141 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 174.2 | -135.4 | 95.6 | 0 | 0 | 0 | 111.5 | I9 Q10 L21 V76 V77 E78 V83 K84 | I9-L80 HydrophobicContact CG2-CD1 3.64Å; Q10-L80 HydrophobicContact CG-CD2 4.32Å; L21-L80 HydrophobicContact CD2-CD2 3.76Å; V76-L80 WeakPolarHBondContact O-CB 3.3Å; V76-L80 PolarHBondContact O-N 2.84Å; V77-L80 CarbonylContact O-C 3.59Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 3.34Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.01Å; L80-V83 PolarHBondContact O-N 3.4Å; L80-K84 WeakPolarHBondContact O-CB 3.24Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.28Å |
| 81 | G | 59.6 | Low | 60.1 | Low | 18 Ų | 18 | 93 Ų | 93 | 19% | 0.186 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V77 E78 R79 V83 K84 L85 | V77-G81 PolarHBondContact O-N 3.17Å; E78-G81 CarbonylContact O-C 3.55Å; E78-G81 WeakPolarHBondContact O-CA 3.41Å; E78-G81 PolarHBondContact O-N 2.95Å; E78-G81 VanDerWaalsContact O-N 3.11Å; R79-G81 VanDerWaalsContact C-N 3.34Å; G81-V83 VanDerWaalsContact C-N 3.35Å; G81-K84 CarbonylContact O-C 3.6Å; G81-K84 PolarHBondContact O-N 3.48Å; G81-L85 VanDerWaalsContact O-CB 3.23Å; G81-L85 WeakPolarHBondContact O-CB 3.44Å; G81-L85 WeakPolarHBondContact O-CG 3.42Å; G81-L85 PolarHBondContact O-N 3.39Å |
| 82 | E | 56.5 | Low | 58.9 | Low | 79 Ų | 79 | 93.7 Ų | 93.7 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 171 | -76.5 | -171.1 | -149.4 | 0 | 0 | 112.4 | E78 R79 K84 L85 K86 | E78-E82 PolarHBondContact O-N 2.77Å; R79-E82 CarbonylContact O-C 3.57Å; R79-E82 PolarHBondContact O-N 3.41Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-L85 CarbonylContact O-C 3.47Å; E82-L85 PolarHBondContact O-N 3.26Å; E82-K86 WeakPolarHBondContact O-CA 3.44Å; E82-K86 WeakPolarHBondContact O-CB 3.45Å; E82-K86 WeakPolarHBondContact O-CG 3.35Å; E82-K86 PolarHBondContact O-N 3.18Å; E82-K86 IonicContact OE2-NZ 3Å; E82-K86 PolarHBondContact OE2-NZ 3.25Å |
| 83 | V | 56.3 | Low | 58.1 | Low | 100 Ų | 100 | 95.3 Ų | 95.3 | 61% | 0.606 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.7 | -28.7 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | R79 L80 G81 K86 | R79-V83 WeakPolarHBondContact O-CB 3.47Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.23Å; L80-V83 PolarHBondContact O-N 3.4Å; G81-V83 VanDerWaalsContact C-N 3.35Å; V83-K86 CarbonylContact O-C 3.49Å; V83-K86 VanDerWaalsContact O-O 3.07Å |
| 84 | K | 48.6 | Very low | 58.3 | Low | 114 Ų | 114 | 99.1 Ų | 99.1 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.8 | -29.8 | 170 | -75.7 | -176 | 178.7 | -175.5 | 0 | 113.1 | L21 L80 G81 E82 P87 | L21-K84 HydrophobicContact CD1-CD 4.19Å; L80-K84 WeakPolarHBondContact O-CB 3.24Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.28Å; G81-K84 CarbonylContact O-C 3.6Å; G81-K84 PolarHBondContact O-N 3.48Å; E82-K84 VanDerWaalsContact C-N 3.33Å; K84-P87 WeakPolarHBondContact O-CD 3.45Å |
| 85 | L | 47.8 | Very low | 58.9 | Low | 138 Ų | 138 | 99.5 Ų | 99.5 | 72% | 0.723 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -91.5 | -18.3 | 179.1 | -71.9 | 171.4 | 0 | 0 | 0 | 113.1 | G81 E82 P87 | G81-L85 VanDerWaalsContact O-CB 3.23Å; G81-L85 WeakPolarHBondContact O-CB 3.44Å; G81-L85 WeakPolarHBondContact O-CG 3.42Å; G81-L85 PolarHBondContact O-N 3.39Å; E82-L85 CarbonylContact O-C 3.47Å; E82-L85 PolarHBondContact O-N 3.26Å; L85-P87 WeakPolarHBondContact O-CD 3.34Å |
| 86 | K | 34.4 | Very low | 59.7 | Low | 127 Ų | 127 | 95.7 Ų | 95.7 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -101.4 | 62.7 | 158.3 | -59 | 166.6 | 179.9 | 159.6 | 0 | 107.4 | E82 V83 D88 | E82-K86 WeakPolarHBondContact O-CA 3.44Å; E82-K86 WeakPolarHBondContact O-CB 3.45Å; E82-K86 WeakPolarHBondContact O-CG 3.35Å; E82-K86 PolarHBondContact O-N 3.18Å; E82-K86 IonicContact OE2-NZ 3Å; E82-K86 PolarHBondContact OE2-NZ 3.25Å; V83-K86 CarbonylContact O-C 3.49Å; V83-K86 VanDerWaalsContact O-O 3.07Å; K86-D88 PolarHBondContact O-N 2.86Å |
| 87 | P | 41.6 | Very low | 60.3 | Low | 55 Ų | 55 | 99.2 Ų | 99.2 | 36% | 0.357 | 51% | 0.505 | S | S | . | . | trans | -56.5 | 130.4 | 154.1 | 29.9 | -27.3 | 0 | 0 | 0 | 104.6 | K84 L85 I89 | K84-P87 WeakPolarHBondContact O-CD 3.45Å; L85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-I89 WeakPolarHBondContact O-CA 3.33Å; P87-I89 PolarHBondContact O-N 3.38Å | ||
| 88 | D | 39.9 | Very low | 60.8 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 78% | 0.775 | 53% | 0.532 | S | S | * | . | trans | -20.2 | 109.9 | 162.3 | -153.3 | 6.4 | 0 | 0 | 0 | 110.6 | K86 G90 | K86-D88 PolarHBondContact O-N 2.86Å; D88-G90 PolarHBondContact O-N 2.89Å | ||
| 89 | I | 46.5 | Very low | 61.6 | Low | 164 Ų | 164 | 103.2 Ų | 103.2 | 84% | 0.841 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 57.3 | -158 | -63.8 | 168.6 | 0 | 0 | 0 | 110.6 | P87 | P87-I89 WeakPolarHBondContact O-CA 3.33Å; P87-I89 PolarHBondContact O-N 3.38Å |
| 90 | G | 48.2 | Very low | 62.4 | Low | 51 Ų | 51 | 96.9 Ų | 96.9 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 169.8 | 23.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 120 | D88 | D88-G90 PolarHBondContact O-N 2.89Š|
| 91 | T | 46.7 | Very low | 63.5 | Low | 81 Ų | 81 | 99.3 Ų | 99.3 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -147.5 | -41.3 | 175.4 | -23.9 | 0 | 0 | 0 | 0 | 117.5 | L95 | T91-L95 HydrophobicContact CG2-CD1 4.33Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.42Å |
| 92 | K | 49.6 | Very low | 64.9 | Low | 184 Ų | 184 | 104.6 Ų | 104.6 | 80% | 0.8 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -79.9 | -30 | -166.3 | -88.4 | -176.6 | 179.2 | 177.7 | 0 | 117.6 | ||
| 93 | R | 57.9 | Low | 66.6 | Low | 189 Ų | 189 | 102.5 Ų | 102.5 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.8 | 178 | -69.3 | -169.4 | -167.1 | -154.8 | 4.5 | 112.9 | ||
| 94 | D | 80 | Confident | 68.3 | Low | 94 Ų | 94 | 101.7 Ų | 101.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 6.4 | -179.4 | -50.3 | -37.1 | 0 | 0 | 0 | 111.6 | K102 L103 | D94-K102 CarbonylContact O-C 3.39Å; D94-K102 WeakPolarHBondContact O-CA 3.38Å; D94-L103 PolarHBondContact O-N 3.2Å |
| 95 | L | 87.6 | Confident | 70.5 | Confident | 52 Ų | 52 | 97.3 Ų | 97.3 | 27% | 0.272 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -107 | 138.6 | 178 | -61.8 | 176.8 | 0 | 0 | 0 | 111.6 | T91 V97 G100 E101 K102 | T91-L95 HydrophobicContact CG2-CD1 4.33Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.42Å; L95-V97 PolarHBondContact O-N 3.05Å; L95-G100 WeakPolarHBondContact CD2-O 3.4Å; L95-E101 CarbonylContact C-O 3.5Å; L95-E101 WeakPolarHBondContact CA-O 3.4Å; L95-K102 HydrophobicContact CD2-CG 3.9Å |
| 96 | C | 89.9 | Confident | 72.7 | Confident | 8 Ų | 8 | 92.9 Ų | 92.9 | 5% | 0.054 | 48% | 0.481 | C | S | . | . | trans | -63.8 | 126.5 | 173.1 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | H98 H99 G100 E101 L103 C115 C118 | C96-H98 PolarHBondContact O-N 3.03Å; C96-H98 PolarHBondContact SG-N 3.4Å; C96-H98 VanDerWaalsContact SG-N 3.45Å; C96-H99 HydrophobicContact CB-CB 4.29Å; C96-H99 PolarHBondContact O-N 3.11Å; C96-H99 PolarHBondContact SG-ND1 2.96Å; C96-G100 WeakPolarHBondContact O-CA 3.11Å; C96-G100 PolarHBondContact O-N 3.22Å; C96-E101 WeakPolarHBondContact CB-O 3.37Å; C96-E101 PolarHBondContact N-O 3.25Å; C96-L103 HydrophobicContact CB-CD2 3.7Å; C96-L103 HydrophobicContact CB-CG 4.46Å; C96-C115 HydrophobicContact CB-CB 3.8Å; C96-C115 VanDerWaalsContact CB-SG 3.56Å; C96-C115 VanDerWaalsContact SG-SG 3.68Å; C96-C118 PolarHBondContact SG-SG 3.39Å | ||
| 97 | V | 88 | Confident | 75.6 | Confident | 139 Ų | 139 | 86.8 Ų | 86.8 | 84% | 0.842 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.3 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | L95 | L95-V97 PolarHBondContact O-N 3.05Š|
| 98 | H | 87.7 | Confident | 78 | Confident | 146 Ų | 146 | 90 Ų | 90 | 68% | 0.676 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -32.4 | -177.1 | -62.6 | -65.6 | 0 | 0 | 0 | 113.8 | C96 | C96-H98 PolarHBondContact O-N 3.03Å; C96-H98 PolarHBondContact SG-N 3.4Å; C96-H98 VanDerWaalsContact SG-N 3.45Å |
| 99 | H | 88.2 | Confident | 80.6 | Confident | 75 Ų | 75 | 87 Ų | 87 | 35% | 0.347 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -14.5 | -168.5 | -54.6 | 116.1 | 0 | 0 | 0 | 114.2 | C96 E101 C115 V117 C118 | C96-H99 HydrophobicContact CB-CB 4.29Å; C96-H99 PolarHBondContact O-N 3.11Å; C96-H99 PolarHBondContact SG-ND1 2.96Å; H99-E101 HydrophobicContact CB-CB 4.32Å; H99-E101 HydrophobicContact CB-CG 4.18Å; H99-E101 PolarHBondContact O-N 2.88Å; H99-C115 PolarHBondContact ND1-SG 3.5Å; H99-V117 HydrophobicContact CB-CB 4.14Å; H99-V117 HydrophobicContact CB-CG2 4.36Å; H99-V117 VanDerWaalsContact CD2-CG1 3.42Å; H99-V117 WeakPolarHBondContact CD2-CG1 3.49Å; H99-C118 PolarHBondContact CE1-SG 3.22Å; H99-C118 PolarHBondContact ND1-SG 3.35Å |
| 100 | G | 87 | Confident | 82.8 | Confident | 48 Ų | 48 | 81.7 Ų | 81.7 | 50% | 0.495 | 42% | 0.418 | S | S | . | . | trans | 70 | 7.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L95 C96 | L95-G100 WeakPolarHBondContact CD2-O 3.4Å; C96-G100 WeakPolarHBondContact O-CA 3.11Å; C96-G100 PolarHBondContact O-N 3.22Å | ||
| 101 | E | 90.9 | Very high | 84.9 | Confident | 79 Ų | 79 | 87.2 Ų | 87.2 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | trans | -92.6 | 154.9 | -178.7 | -70.8 | -64.9 | 149.9 | 0 | 0 | 112.2 | L95 C96 H99 C115 W116 V117 | L95-E101 CarbonylContact C-O 3.5Å; L95-E101 WeakPolarHBondContact CA-O 3.4Å; C96-E101 WeakPolarHBondContact CB-O 3.37Å; C96-E101 PolarHBondContact N-O 3.25Å; H99-E101 HydrophobicContact CB-CB 4.32Å; H99-E101 HydrophobicContact CB-CG 4.18Å; H99-E101 PolarHBondContact O-N 2.88Å; E101-C115 HydrophobicContact CB-CB 3.61Å; E101-W116 PolarHBondContact OE2-NE1 3.32Å; E101-V117 HydrophobicContact CG-CG2 3.99Å | ||
| 102 | K | 90.4 | Very high | 87.1 | Confident | 128 Ų | 128 | 88.2 Ų | 88.2 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -63.5 | 136.8 | -179.7 | -66.2 | -176.9 | 179.8 | -179.1 | 0 | 112.8 | D94 L95 L104 C115 | D94-K102 CarbonylContact O-C 3.39Å; D94-K102 WeakPolarHBondContact O-CA 3.38Å; L95-K102 HydrophobicContact CD2-CG 3.9Å; K102-L104 HydrophobicContact CB-CD1 4.04Å; K102-L104 HydrophobicContact CB-CD2 4.33Å; K102-L104 HydrophobicContact CB-CG 3.8Å; K102-L104 HydrophobicContact CD-CD1 4.46Å; K102-L104 PolarHBondContact O-N 3.04Å; K102-L104 VanDerWaalsContact O-N 3.12Å; K102-C115 WeakPolarHBondContact O-CA 3.49Å; K102-C115 WeakPolarHBondContact O-CB 3.43Å |
| 103 | L | 91.9 | Very high | 89.1 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | trans | -80.9 | 79.9 | 174.5 | -64 | 178.2 | 0 | 0 | 0 | 109.6 | D94 C96 A113 I114 C115 | D94-L103 PolarHBondContact O-N 3.2Å; C96-L103 HydrophobicContact CB-CD2 3.7Å; C96-L103 HydrophobicContact CB-CG 4.46Å; L103-A113 HydrophobicContact CB-CB 4.21Å; L103-A113 HydrophobicContact CD1-CB 4.45Å; L103-I114 WeakPolarHBondContact CA-O 3.4Å; L103-I114 VanDerWaalsContact CD2-C 3.46Å; L103-C115 HydrophobicContact CD2-CB 4.41Å | ||
| 104 | L | 92.4 | Very high | 90.8 | Very high | 82 Ų | 82 | 72.5 Ų | 72.5 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | trans | -107.6 | 1.2 | -177.4 | -61.6 | 177.9 | 0 | 0 | 0 | 113.3 | K102 I114 W132 | K102-L104 HydrophobicContact CB-CD1 4.04Å; K102-L104 HydrophobicContact CB-CD2 4.33Å; K102-L104 HydrophobicContact CB-CG 3.8Å; K102-L104 HydrophobicContact CD-CD1 4.46Å; K102-L104 PolarHBondContact O-N 3.04Å; K102-L104 VanDerWaalsContact O-N 3.12Å; L104-I114 PolarHBondContact N-O 2.66Å; L104-W132 VanDerWaalsContact O-CB 3.23Å; L104-W132 WeakPolarHBondContact O-CB 3.3Å; L104-W132 PolarHBondContact O-N 3.23Å | ||
| 105 | L | 94 | Very high | 91.5 | Very high | 22 Ų | 22 | 68 Ų | 68 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.4 | -179.2 | -58 | 173.7 | 0 | 0 | 0 | 110.1 | A113 I114 W116 E119 F130 L131 | L105-A113 CarbonylContact O-C 3.53Å; L105-A113 VanDerWaalsContact O-CA 3.31Å; L105-A113 WeakPolarHBondContact O-CA 3.41Å; L105-I114 HydrophobicContact CB-CG1 3.8Å; L105-I114 PolarHBondContact N-O 2.83Å; L105-I114 PolarHBondContact O-N 3Å; L105-W116 HydrophobicContact CD1-CB 4.47Å; L105-E119 HydrophobicContact CD1-CB 3.95Å; L105-E119 HydrophobicContact CD1-CG 4.43Å; L105-F130 CarbonylContact C-O 3.4Å; L105-F130 WeakPolarHBondContact CA-O 3.16Å; L105-L131 HydrophobicContact CD2-CD2 4.05Å |
| 106 | F | 94.7 | Very high | 91.7 | Very high | 45 Ų | 45 | 71.6 Ų | 71.6 | 20% | 0.197 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.7 | 172.8 | 174.6 | -100.5 | 0 | 0 | 0 | 109.8 | K108 K111 K112 T129 F130 A135 | F106-K108 HydrophobicContact CE1-CB 4.45Å; F106-K111 HydrophobicContact CE2-CB 4.42Å; F106-K111 HydrophobicContact CZ-CB 4.24Å; F106-K112 WeakPolarHBondContact CA-O 3.27Å; F106-T129 VanDerWaalsContact O-CA 3.29Å; F106-T129 WeakPolarHBondContact O-CA 3.46Å; F106-F130 PolarHBondContact N-O 3.47Å; F106-F130 PolarHBondContact O-N 3.14Å; F106-A135 HydrophobicContact CB-CB 3.71Å; F106-A135 HydrophobicContact CD1-CB 3.88Å; F106-A135 HydrophobicContact CG-CB 3.89Å |
| 107 | C | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.8 | 171.4 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | D110 K111 K112 I114 H127 | C107-D110 HydrophobicContact CB-CB 4.35Å; C107-D110 PolarHBondContact SG-N 2.98Å; C107-D110 PolarHBondContact SG-OD2 2.71Å; C107-K111 VanDerWaalsContact O-CA 3.24Å; C107-K111 WeakPolarHBondContact O-CA 2.8Å; C107-K111 PolarHBondContact O-N 2.95Å; C107-K112 PolarHBondContact N-O 3.31Å; C107-K112 PolarHBondContact O-N 3.45Å; C107-I114 HydrophobicContact CB-CD1 4.04Å; C107-I114 HydrophobicContact CB-CG2 4.42Å; C107-H127 VanDerWaalsContact SG-CB 3.52Å; C107-H127 PolarHBondContact SG-ND1 2.68Å |
| 108 | K | 93.1 | Very high | 92.3 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -40 | -176.2 | -177.4 | 174.7 | 178.9 | 174.9 | 0 | 113.2 | F106 H128 F130 | F106-K108 HydrophobicContact CE1-CB 4.45Å; K108-H128 HydrophobicContact CB-CB 4.23Å; K108-H128 WeakPolarHBondContact CB-O 3.42Å; K108-H128 PolarHBondContact N-O 3.48Å; K108-F130 HydrophobicContact CB-CD2 4.41Å; K108-F130 HydrophobicContact CB-CE2 3.99Å; K108-F130 HydrophobicContact CD-CE2 3.86Å; K108-F130 HydrophobicContact CD-CZ 4.42Å; K108-F130 HydrophobicContact CG-CE2 4.49Å |
| 109 | E | 94.5 | Very high | 92.6 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -48.8 | -179.5 | -70.9 | 76.3 | -176 | 0 | 0 | 110.8 | H127 H128 | E109-H127 HydrophobicContact CB-CB 4.43Å; E109-H127 HydrophobicContact CG-CB 4.38Å; E109-H127 WeakPolarHBondContact OE2-CA 3.23Å; E109-H127 VanDerWaalsContact OE2-CB 3.3Å; E109-H127 WeakPolarHBondContact OE2-CB 3.28Å; E109-H127 IonicContact OE2-CG 3.75Å; E109-H128 VanDerWaalsContact CD-N 3.33Å; E109-H128 IonicContact OE1-CE1 3.76Å; E109-H128 IonicContact OE1-CG 3.61Å; E109-H128 PolarHBondContact OE1-N 3.16Å; E109-H128 IonicContact OE1-ND1 2.73Å; E109-H128 PolarHBondContact OE1-ND1 3.06Å; E109-H128 PolarHBondContact OE2-N 3.38Å |
| 110 | D | 92.6 | Very high | 92.8 | Very high | 54 Ų | 54 | 68.5 Ų | 68.5 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14.9 | -177.8 | -62.2 | -53 | 0 | 0 | 0 | 113.6 | C107 K112 H124 H127 | C107-D110 HydrophobicContact CB-CB 4.35Å; C107-D110 PolarHBondContact SG-N 2.98Å; C107-D110 PolarHBondContact SG-OD2 2.71Å; D110-K112 VanDerWaalsContact C-N 3.29Å; D110-K112 HydrophobicContact CB-CB 4.42Å; D110-K112 HydrophobicContact CB-CD 4.1Å; D110-K112 HydrophobicContact CB-CG 4.23Å; D110-K112 WeakPolarHBondContact O-CG 3.2Å; D110-K112 PolarHBondContact O-N 2.94Å; D110-H124 IonicContact OD2-CE1 3.99Å; D110-H124 PolarHBondContact OD2-CE1 2.85Å; D110-H124 IonicContact OD2-CG 3.86Å; D110-H124 IonicContact OD2-ND1 3.52Å; D110-H124 PolarHBondContact OD2-ND1 3.18Å; D110-H127 IonicContact OD1-CE1 3.14Å; D110-H127 IonicContact OD2-CE1 2.81Å; D110-H127 PolarHBondContact OD2-CE1 3.32Å; D110-H127 IonicContact OD2-ND1 3.85Å; D110-H127 PolarHBondContact OD2-ND1 3.34Å |
| 111 | K | 92.3 | Very high | 93.1 | Very high | 167 Ų | 167 | 67.7 Ų | 67.7 | 73% | 0.726 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 42.4 | -174.6 | -56.5 | 177.7 | -177.9 | 175 | 0 | 112.8 | F106 C107 | F106-K111 HydrophobicContact CE2-CB 4.42Å; F106-K111 HydrophobicContact CZ-CB 4.24Å; C107-K111 VanDerWaalsContact O-CA 3.24Å; C107-K111 WeakPolarHBondContact O-CA 2.8Å; C107-K111 PolarHBondContact O-N 2.95Å |
| 112 | K | 91.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.8 | -176.9 | -69.5 | 173.6 | -169.9 | 169.7 | 0 | 111.1 | F106 C107 D110 I114 E123 | F106-K112 WeakPolarHBondContact CA-O 3.27Å; C107-K112 PolarHBondContact N-O 3.31Å; C107-K112 PolarHBondContact O-N 3.45Å; D110-K112 VanDerWaalsContact C-N 3.29Å; D110-K112 HydrophobicContact CB-CB 4.42Å; D110-K112 HydrophobicContact CB-CD 4.1Å; D110-K112 HydrophobicContact CB-CG 4.23Å; D110-K112 WeakPolarHBondContact O-CG 3.2Å; D110-K112 PolarHBondContact O-N 2.94Å; K112-I114 HydrophobicContact CB-CG2 4.13Å; K112-E123 IonicContact NZ-OE1 3.72Å |
| 113 | A | 92.2 | Very high | 93.2 | Very high | 40 Ų | 40 | 71.5 Ų | 71.5 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L103 L105 W132 | L103-A113 HydrophobicContact CB-CB 4.21Å; L103-A113 HydrophobicContact CD1-CB 4.45Å; L105-A113 CarbonylContact O-C 3.53Å; L105-A113 VanDerWaalsContact O-CA 3.31Å; L105-A113 WeakPolarHBondContact O-CA 3.41Å; A113-W132 HydrophobicContact CB-CE3 4.16Å; A113-W132 HydrophobicContact CB-CZ3 4.04Å |
| 114 | I | 93.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.7 | -175.2 | 70.6 | 169.6 | 0 | 0 | 0 | 110.2 | L103 L104 L105 C107 K112 C118 E119 H124 T129 | L103-I114 WeakPolarHBondContact CA-O 3.4Å; L103-I114 VanDerWaalsContact CD2-C 3.46Å; L104-I114 PolarHBondContact N-O 2.66Å; L105-I114 HydrophobicContact CB-CG1 3.8Å; L105-I114 PolarHBondContact N-O 2.83Å; L105-I114 PolarHBondContact O-N 3Å; C107-I114 HydrophobicContact CB-CD1 4.04Å; C107-I114 HydrophobicContact CB-CG2 4.42Å; K112-I114 HydrophobicContact CB-CG2 4.13Å; I114-C118 HydrophobicContact CB-CB 3.7Å; I114-C118 HydrophobicContact CD1-CB 4.25Å; I114-C118 HydrophobicContact CG1-CB 4.36Å; I114-C118 HydrophobicContact CG2-CB 4.37Å; I114-E119 HydrophobicContact CD1-CB 4.12Å; I114-H124 HydrophobicContact CD1-CB 4.32Å; I114-T129 HydrophobicContact CD1-CG2 3.9Å |
| 115 | C | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -95.4 | 171.7 | 171.8 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | C96 H99 E101 K102 L103 V117 C118 E119 | C96-C115 HydrophobicContact CB-CB 3.8Å; C96-C115 VanDerWaalsContact CB-SG 3.56Å; C96-C115 VanDerWaalsContact SG-SG 3.68Å; H99-C115 PolarHBondContact ND1-SG 3.5Å; E101-C115 HydrophobicContact CB-CB 3.61Å; K102-C115 WeakPolarHBondContact O-CA 3.49Å; K102-C115 WeakPolarHBondContact O-CB 3.43Å; L103-C115 HydrophobicContact CD2-CB 4.41Å; C115-V117 PolarHBondContact O-N 2.99Å; C115-C118 WeakPolarHBondContact O-CB 3.45Å; C115-C118 PolarHBondContact O-N 3.45Å; C115-C118 VanDerWaalsContact O-N 3.09Å; C115-C118 PolarHBondContact SG-N 3.47Å; C115-E119 PolarHBondContact O-N 2.82Å; C115-E119 VanDerWaalsContact O-N 3.15Å | ||
| 116 | W | 92.7 | Very high | 93.3 | Very high | 126 Ų | 126 | 78.5 Ų | 78.5 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -25.2 | 179.2 | 73.2 | -92.5 | 0 | 0 | 0 | 113.9 | E101 L105 | E101-W116 PolarHBondContact OE2-NE1 3.32Å; L105-W116 HydrophobicContact CD1-CB 4.47Å |
| 117 | V | 94.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 79.2 Ų | 79.2 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.7 | -40.5 | 175.2 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | H99 E101 C115 E119 R120 S121 | H99-V117 HydrophobicContact CB-CB 4.14Å; H99-V117 HydrophobicContact CB-CG2 4.36Å; H99-V117 VanDerWaalsContact CD2-CG1 3.42Å; H99-V117 WeakPolarHBondContact CD2-CG1 3.49Å; E101-V117 HydrophobicContact CG-CG2 3.99Å; C115-V117 PolarHBondContact O-N 2.99Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.26Å; V117-R120 PolarHBondContact O-N 3.46Å; V117-S121 PolarHBondContact O-N 2.89Å; V117-S121 VanDerWaalsContact O-N 3.12Å |
| 118 | C | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 173.9 | -78.6 | 0 | 0 | 0 | 0 | 111.6 | C96 H99 I114 C115 R120 S121 H124 | C96-C118 PolarHBondContact SG-SG 3.39Å; H99-C118 PolarHBondContact CE1-SG 3.22Å; H99-C118 PolarHBondContact ND1-SG 3.35Å; I114-C118 HydrophobicContact CB-CB 3.7Å; I114-C118 HydrophobicContact CD1-CB 4.25Å; I114-C118 HydrophobicContact CG1-CB 4.36Å; I114-C118 HydrophobicContact CG2-CB 4.37Å; C115-C118 WeakPolarHBondContact O-CB 3.45Å; C115-C118 PolarHBondContact O-N 3.45Å; C115-C118 VanDerWaalsContact O-N 3.09Å; C115-C118 PolarHBondContact SG-N 3.47Å; C118-R120 PolarHBondContact O-N 2.98Å; C118-S121 VanDerWaalsContact O-CB 3.23Å; C118-S121 WeakPolarHBondContact O-CB 3.35Å; C118-S121 PolarHBondContact O-N 3.02Å; C118-S121 PolarHBondContact O-OG 3.22Å; C118-H124 PolarHBondContact O-CD2 3.28Å |
| 119 | E | 94.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 80.9 Ų | 80.9 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.4 | -36.2 | 178.3 | 175.2 | -178.6 | -114 | 0 | 0 | 112.7 | L105 I114 C115 V117 T129 | L105-E119 HydrophobicContact CD1-CB 3.95Å; L105-E119 HydrophobicContact CD1-CG 4.43Å; I114-E119 HydrophobicContact CD1-CB 4.12Å; C115-E119 PolarHBondContact O-N 2.82Å; C115-E119 VanDerWaalsContact O-N 3.15Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.26Å; E119-T129 HydrophobicContact CB-CG2 4.49Å; E119-T129 HydrophobicContact CG-CG2 4.02Å; E119-T129 VanDerWaalsContact OE1-CB 3.3Å; E119-T129 WeakPolarHBondContact OE1-CB 3.43Å; E119-T129 PolarHBondContact OE1-OG1 3.04Å |
| 120 | R | 93.6 | Very high | 93.4 | Very high | 192 Ų | 192 | 80.4 Ų | 80.4 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -88.9 | -6.7 | 178.5 | -61.9 | -179.5 | -178.6 | -176.4 | 0.8 | 113.8 | V117 C118 | V117-R120 PolarHBondContact O-N 3.46Å; C118-R120 PolarHBondContact O-N 2.98Å |
| 121 | S | 93.2 | Very high | 93.4 | Very high | 31 Ų | 31 | 81.8 Ų | 81.8 | 22% | 0.217 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -69.6 | 161.7 | 177.6 | 78.4 | 0 | 0 | 0 | 0 | 110.8 | V117 C118 E123 H124 R125 | V117-S121 PolarHBondContact O-N 2.89Å; V117-S121 VanDerWaalsContact O-N 3.12Å; C118-S121 VanDerWaalsContact O-CB 3.23Å; C118-S121 WeakPolarHBondContact O-CB 3.35Å; C118-S121 PolarHBondContact O-N 3.02Å; C118-S121 PolarHBondContact O-OG 3.22Å; S121-E123 PolarHBondContact O-N 3.32Å; S121-E123 PolarHBondContact OG-N 3.33Å; S121-H124 PolarHBondContact O-N 2.92Å; S121-R125 PolarHBondContact O-N 2.84Å |
| 122 | Q | 91.4 | Very high | 93.3 | Very high | 183 Ų | 183 | 79 Ų | 79 | 86% | 0.855 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -60.9 | -27.2 | 173.6 | -173.2 | 174.6 | -8.1 | 0 | 0 | 112.3 | H124 | Q122-H124 PolarHBondContact O-N 3.06Š|
| 123 | E | 92 | Very high | 93.2 | Very high | 104 Ų | 104 | 79.1 Ų | 79.1 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -39.7 | -177.2 | -173.3 | 177.7 | 174.4 | 0 | 0 | 112.6 | K112 S121 | K112-E123 IonicContact NZ-OE1 3.72Å; S121-E123 PolarHBondContact O-N 3.32Å; S121-E123 PolarHBondContact OG-N 3.33Å |
| 124 | H | 93.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 81.8 Ų | 81.8 | 3% | 0.028 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 12.8 | -176.8 | -58.2 | -67.1 | 0 | 0 | 0 | 113.2 | D110 I114 C118 S121 Q122 G126 H127 | D110-H124 IonicContact OD2-CE1 3.99Å; D110-H124 PolarHBondContact OD2-CE1 2.85Å; D110-H124 IonicContact OD2-CG 3.86Å; D110-H124 IonicContact OD2-ND1 3.52Å; D110-H124 PolarHBondContact OD2-ND1 3.18Å; I114-H124 HydrophobicContact CD1-CB 4.32Å; C118-H124 PolarHBondContact O-CD2 3.28Å; S121-H124 PolarHBondContact O-N 2.92Å; Q122-H124 PolarHBondContact O-N 3.06Å; H124-G126 PolarHBondContact O-N 3.44Å; H124-G126 VanDerWaalsContact O-N 3.07Å; H124-H127 AromaticContact ND1-ND1 3.89Å; H124-H127 WeakPolarHBondContact O-CB 3.25Å; H124-H127 PolarHBondContact O-N 3.37Å |
| 125 | R | 92.8 | Very high | 93.1 | Very high | 207 Ų | 207 | 81.9 Ų | 81.9 | 78% | 0.781 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 114 | -174.7 | -172.2 | 178 | -176.6 | -169.9 | 0.8 | 110.8 | S121 | S121-R125 PolarHBondContact O-N 2.84Š|
| 126 | G | 92.7 | Very high | 93 | Very high | 75 Ų | 75 | 83.9 Ų | 83.9 | 77% | 0.773 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 3.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H124 | H124-G126 PolarHBondContact O-N 3.44Å; H124-G126 VanDerWaalsContact O-N 3.07Å |
| 127 | H | 96.6 | Very high | 93.1 | Very high | 60 Ų | 60 | 84.4 Ų | 84.4 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | trans | -76 | 154.1 | 171.1 | -69.1 | -175.1 | 0 | 0 | 0 | 111.1 | C107 E109 D110 H124 T129 | C107-H127 VanDerWaalsContact SG-CB 3.52Å; C107-H127 PolarHBondContact SG-ND1 2.68Å; E109-H127 HydrophobicContact CB-CB 4.43Å; E109-H127 HydrophobicContact CG-CB 4.38Å; E109-H127 WeakPolarHBondContact OE2-CA 3.23Å; E109-H127 VanDerWaalsContact OE2-CB 3.3Å; E109-H127 WeakPolarHBondContact OE2-CB 3.28Å; E109-H127 IonicContact OE2-CG 3.75Å; D110-H127 IonicContact OD1-CE1 3.14Å; D110-H127 IonicContact OD2-CE1 2.81Å; D110-H127 PolarHBondContact OD2-CE1 3.32Å; D110-H127 IonicContact OD2-ND1 3.85Å; D110-H127 PolarHBondContact OD2-ND1 3.34Å; H124-H127 AromaticContact ND1-ND1 3.89Å; H124-H127 WeakPolarHBondContact O-CB 3.25Å; H124-H127 PolarHBondContact O-N 3.37Å; H127-T129 PolarHBondContact O-N 3.07Å | ||
| 128 | H | 94.8 | Very high | 93 | Very high | 115 Ų | 115 | 87.5 Ų | 87.5 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | trans | -80.7 | 118.6 | 174.6 | -63.3 | 83.2 | 0 | 0 | 0 | 109.9 | K108 E109 F130 | K108-H128 HydrophobicContact CB-CB 4.23Å; K108-H128 WeakPolarHBondContact CB-O 3.42Å; K108-H128 PolarHBondContact N-O 3.48Å; E109-H128 VanDerWaalsContact CD-N 3.33Å; E109-H128 IonicContact OE1-CE1 3.76Å; E109-H128 IonicContact OE1-CG 3.61Å; E109-H128 PolarHBondContact OE1-N 3.16Å; E109-H128 IonicContact OE1-ND1 2.73Å; E109-H128 PolarHBondContact OE1-ND1 3.06Å; E109-H128 PolarHBondContact OE2-N 3.38Å; H128-F130 HydrophobicContact CB-CE2 3.9Å; H128-F130 HydrophobicContact CB-CZ 4.35Å | ||
| 129 | T | 94.9 | Very high | 92.9 | Very high | 41 Ų | 41 | 90.7 Ų | 90.7 | 25% | 0.252 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.5 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | F106 I114 E119 H127 | F106-T129 VanDerWaalsContact O-CA 3.29Å; F106-T129 WeakPolarHBondContact O-CA 3.46Å; I114-T129 HydrophobicContact CD1-CG2 3.9Å; E119-T129 HydrophobicContact CB-CG2 4.49Å; E119-T129 HydrophobicContact CG-CG2 4.02Å; E119-T129 VanDerWaalsContact OE1-CB 3.3Å; E119-T129 WeakPolarHBondContact OE1-CB 3.43Å; E119-T129 PolarHBondContact OE1-OG1 3.04Å; H127-T129 PolarHBondContact O-N 3.07Å |
| 130 | F | 93.6 | Very high | 93 | Very high | 71 Ų | 71 | 93.4 Ų | 93.4 | 31% | 0.311 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154.1 | 177.3 | -61.3 | -89.1 | 0 | 0 | 0 | 109.2 | L105 F106 K108 H128 W132 A135 | L105-F130 CarbonylContact C-O 3.4Å; L105-F130 WeakPolarHBondContact CA-O 3.16Å; F106-F130 PolarHBondContact N-O 3.47Å; F106-F130 PolarHBondContact O-N 3.14Å; K108-F130 HydrophobicContact CB-CD2 4.41Å; K108-F130 HydrophobicContact CB-CE2 3.99Å; K108-F130 HydrophobicContact CD-CE2 3.86Å; K108-F130 HydrophobicContact CD-CZ 4.42Å; K108-F130 HydrophobicContact CG-CE2 4.49Å; H128-F130 HydrophobicContact CB-CE2 3.9Å; H128-F130 HydrophobicContact CB-CZ 4.35Å; F130-W132 PolarHBondContact O-N 3.12Å; F130-A135 HydrophobicContact CB-CB 4.41Å |
| 131 | L | 92.9 | Very high | 93.2 | Very high | 83 Ų | 83 | 88.9 Ų | 88.9 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 137.7 | 169.6 | -67.8 | 176.5 | 0 | 0 | 0 | 108.9 | L105 E133 E134 A135 | L105-L131 HydrophobicContact CD2-CD2 4.05Å; L131-E133 PolarHBondContact O-N 2.92Å; L131-E134 HydrophobicContact CB-CB 4.26Å; L131-E134 HydrophobicContact CB-CG 3.95Å; L131-E134 WeakPolarHBondContact O-CB 3.47Å; L131-E134 PolarHBondContact O-N 3.38Å; L131-A135 PolarHBondContact O-N 3.43Å |
| 132 | W | 89.1 | Confident | 93.3 | Very high | 110 Ų | 110 | 91 Ų | 91 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -53.7 | -44.4 | -179.5 | 167.9 | -105.6 | 0 | 0 | 0 | 111.4 | L104 A113 F130 E134 A135 V136 | L104-W132 VanDerWaalsContact O-CB 3.23Å; L104-W132 WeakPolarHBondContact O-CB 3.3Å; L104-W132 PolarHBondContact O-N 3.23Å; A113-W132 HydrophobicContact CB-CE3 4.16Å; A113-W132 HydrophobicContact CB-CZ3 4.04Å; F130-W132 PolarHBondContact O-N 3.12Å; W132-E134 VanDerWaalsContact C-N 3.29Å; W132-E134 PolarHBondContact O-N 2.99Å; W132-A135 PolarHBondContact O-N 2.86Å; W132-V136 HydrophobicContact CD2-CG2 3.8Å; W132-V136 VanDerWaalsContact CE2-CG2 3.42Å; W132-V136 HydrophobicContact CE3-CG2 4.2Å; W132-V136 HydrophobicContact CG-CG2 4.39Å; W132-V136 HydrophobicContact CH2-CG2 3.93Å; W132-V136 HydrophobicContact CZ2-CG2 3.5Å; W132-V136 HydrophobicContact CZ3-CG2 4.25Å; W132-V136 WeakPolarHBondContact O-CB 3.35Å; W132-V136 VanDerWaalsContact O-CG2 3.24Å; W132-V136 WeakPolarHBondContact O-CG2 3.44Å; W132-V136 PolarHBondContact O-N 2.9Å |
| 133 | E | 89.5 | Confident | 93.6 | Very high | 102 Ų | 102 | 87.7 Ų | 87.7 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.2 | -34 | 178.9 | -59.6 | 87.2 | -178.8 | 0 | 0 | 112.6 | L131 R137 | L131-E133 PolarHBondContact O-N 2.92Å; E133-R137 VanDerWaalsContact O-CB 3.31Å; E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 PolarHBondContact O-N 3.14Å |
| 134 | E | 93.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 87.8 Ų | 87.8 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.4 | -47.1 | 176.6 | -66.4 | 175.9 | 162.7 | 0 | 0 | 111.3 | L131 W132 V136 R137 E138 | L131-E134 HydrophobicContact CB-CB 4.26Å; L131-E134 HydrophobicContact CB-CG 3.95Å; L131-E134 WeakPolarHBondContact O-CB 3.47Å; L131-E134 PolarHBondContact O-N 3.38Å; W132-E134 VanDerWaalsContact C-N 3.29Å; W132-E134 PolarHBondContact O-N 2.99Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 3.17Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 2.87Å; E134-E138 PolarHBondContact O-N 3.14Å |
| 135 | A | 91.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 93.6 Ų | 93.6 | 6% | 0.058 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F106 F130 L131 W132 E138 C139 | F106-A135 HydrophobicContact CB-CB 3.71Å; F106-A135 HydrophobicContact CD1-CB 3.88Å; F106-A135 HydrophobicContact CG-CB 3.89Å; F130-A135 HydrophobicContact CB-CB 4.41Å; L131-A135 PolarHBondContact O-N 3.43Å; W132-A135 PolarHBondContact O-N 2.86Å; A135-E138 PolarHBondContact O-N 3.26Å; A135-C139 WeakPolarHBondContact O-CB 3.44Å; A135-C139 PolarHBondContact O-N 3.44Å; A135-C139 PolarHBondContact O-SG 3.17Å |
| 136 | V | 91.7 | Very high | 94.4 | Very high | 42 Ų | 42 | 85.4 Ų | 85.4 | 26% | 0.255 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111 | W132 E134 C139 Q140 | W132-V136 HydrophobicContact CD2-CG2 3.8Å; W132-V136 VanDerWaalsContact CE2-CG2 3.42Å; W132-V136 HydrophobicContact CE3-CG2 4.2Å; W132-V136 HydrophobicContact CG-CG2 4.39Å; W132-V136 HydrophobicContact CH2-CG2 3.93Å; W132-V136 HydrophobicContact CZ2-CG2 3.5Å; W132-V136 HydrophobicContact CZ3-CG2 4.25Å; W132-V136 WeakPolarHBondContact O-CB 3.35Å; W132-V136 VanDerWaalsContact O-CG2 3.24Å; W132-V136 WeakPolarHBondContact O-CG2 3.44Å; W132-V136 PolarHBondContact O-N 2.9Å; E134-V136 VanDerWaalsContact C-N 3.32Å; E134-V136 PolarHBondContact O-N 3.17Å; V136-C139 PolarHBondContact O-N 3.46Å; V136-Q140 HydrophobicContact CG1-CG 4.32Å; V136-Q140 WeakPolarHBondContact O-CB 3.39Å; V136-Q140 VanDerWaalsContact O-CG 3.28Å; V136-Q140 WeakPolarHBondContact O-CG 3.15Å; V136-Q140 PolarHBondContact O-N 3.03Å |
| 137 | R | 94.5 | Very high | 94.7 | Very high | 136 Ų | 136 | 85.8 Ų | 85.8 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 178.3 | -164.2 | -167.6 | -30.4 | -84.8 | -6.1 | 111.3 | E133 E134 C139 Q140 E141 | E133-R137 VanDerWaalsContact O-CB 3.31Å; E133-R137 WeakPolarHBondContact O-CB 3.47Å; E133-R137 PolarHBondContact O-N 3.14Å; E134-R137 WeakPolarHBondContact O-CB 3.37Å; E134-R137 PolarHBondContact O-N 2.87Å; R137-C139 PolarHBondContact O-N 2.94Å; R137-Q140 PolarHBondContact O-N 3.45Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.06Å |
| 138 | E | 92.8 | Very high | 94.8 | Very high | 106 Ų | 106 | 85.7 Ų | 85.7 | 50% | 0.495 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.9 | -171.2 | -171 | 163.3 | 0 | 0 | 111.5 | E134 A135 Q140 E141 N142 | E134-E138 PolarHBondContact O-N 3.14Å; A135-E138 PolarHBondContact O-N 3.26Å; E138-Q140 PolarHBondContact O-N 3.25Å; E138-E141 PolarHBondContact O-N 3.05Å; E138-N142 WeakPolarHBondContact O-CB 3.37Å; E138-N142 VanDerWaalsContact O-CG 3.28Å; E138-N142 PolarHBondContact O-N 3.05Å; E138-N142 PolarHBondContact O-ND2 3.28Å |
| 139 | C | 91.7 | Very high | 95 | Very high | 73 Ų | 73 | 87.7 Ų | 87.7 | 49% | 0.493 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.7 | -81 | 0 | 0 | 0 | 0 | 112.2 | A135 V136 R137 N142 L143 | A135-C139 WeakPolarHBondContact O-CB 3.44Å; A135-C139 PolarHBondContact O-N 3.44Å; A135-C139 PolarHBondContact O-SG 3.17Å; V136-C139 PolarHBondContact O-N 3.46Å; R137-C139 PolarHBondContact O-N 2.94Å; C139-N142 PolarHBondContact O-N 2.99Å; C139-L143 WeakPolarHBondContact O-CB 3.4Å; C139-L143 VanDerWaalsContact O-CG 3.27Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.32Å |
| 140 | Q | 96.8 | Very high | 95.1 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 177.7 | -75.6 | 176.1 | -19 | 0 | 0 | 111.9 | V136 R137 E138 L143 Q144 | V136-Q140 HydrophobicContact CG1-CG 4.32Å; V136-Q140 WeakPolarHBondContact O-CB 3.39Å; V136-Q140 VanDerWaalsContact O-CG 3.28Å; V136-Q140 WeakPolarHBondContact O-CG 3.15Å; V136-Q140 PolarHBondContact O-N 3.03Å; R137-Q140 PolarHBondContact O-N 3.45Å; E138-Q140 PolarHBondContact O-N 3.25Å; Q140-L143 PolarHBondContact O-N 3.47Å; Q140-Q144 WeakPolarHBondContact O-CB 3.28Å; Q140-Q144 PolarHBondContact O-N 3.37Å |
| 141 | E | 97.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 93.7 Ų | 93.7 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175 | -73.9 | 179 | -165.3 | 0 | 0 | 112.1 | R137 E138 Q144 K145 | R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.06Å; E138-E141 PolarHBondContact O-N 3.05Å; E141-Q144 PolarHBondContact O-N 3.04Å; E141-K145 WeakPolarHBondContact O-CB 3.44Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.31Å |
| 142 | N | 96.8 | Very high | 95.6 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.8 | -74.6 | -25.4 | 0 | 0 | 0 | 111.9 | E138 C139 K145 A146 | E138-N142 WeakPolarHBondContact O-CB 3.37Å; E138-N142 VanDerWaalsContact O-CG 3.28Å; E138-N142 PolarHBondContact O-N 3.05Å; E138-N142 PolarHBondContact O-ND2 3.28Å; C139-N142 PolarHBondContact O-N 2.99Å; N142-K145 PolarHBondContact O-N 3.23Å; N142-A146 WeakPolarHBondContact O-CB 3.35Å; N142-A146 PolarHBondContact O-N 3.07Å |
| 143 | L | 97.9 | Very high | 96.1 | Very high | 113 Ų | 113 | 94.3 Ų | 94.3 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 172.2 | -74.8 | 170.7 | 0 | 0 | 0 | 111.2 | C139 Q140 A146 L147 | C139-L143 WeakPolarHBondContact O-CB 3.4Å; C139-L143 VanDerWaalsContact O-CG 3.27Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.32Å; Q140-L143 PolarHBondContact O-N 3.47Å; L143-A146 PolarHBondContact O-N 3.45Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.35Å |
| 144 | Q | 98.2 | Very high | 96.5 | Very high | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 178.9 | -173.1 | 61.7 | 17.8 | 0 | 0 | 112.4 | Q140 E141 T148 | Q140-Q144 WeakPolarHBondContact O-CB 3.28Å; Q140-Q144 PolarHBondContact O-N 3.37Å; E141-Q144 PolarHBondContact O-N 3.04Å; Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 3.01Å; Q144-T148 PolarHBondContact O-OG1 3Å |
| 145 | K | 98.2 | Very high | 96.7 | Very high | 127 Ų | 127 | 96.1 Ų | 96.1 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 173 | -72.4 | 168.7 | -170.9 | 164.6 | 0 | 111 | E141 N142 T148 R149 | E141-K145 WeakPolarHBondContact O-CB 3.44Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.31Å; N142-K145 PolarHBondContact O-N 3.23Å; K145-T148 PolarHBondContact O-N 3.35Å; K145-R149 PolarHBondContact O-N 2.99Å |
| 146 | A | 98.2 | Very high | 97.1 | Very high | 36 Ų | 36 | 100.7 Ų | 100.7 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N142 L143 T148 R149 L150 | N142-A146 WeakPolarHBondContact O-CB 3.35Å; N142-A146 PolarHBondContact O-N 3.07Å; L143-A146 PolarHBondContact O-N 3.45Å; A146-T148 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.43Å; A146-R149 PolarHBondContact O-N 3.28Å; A146-L150 WeakPolarHBondContact O-CB 3.44Å; A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 3.26Å |
| 147 | L | 98.6 | Very high | 97.4 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.9 | -76.8 | 171.3 | 0 | 0 | 0 | 111.8 | L143 L150 R151 | L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.35Å; L147-L150 PolarHBondContact O-N 3.49Å; L147-R151 WeakPolarHBondContact O-CB 3.32Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.45Å; L147-R151 PolarHBondContact O-N 2.86Å |
| 148 | T | 98.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 101.2 Ų | 101.2 | 36% | 0.362 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | Q144 K145 A146 K152 | Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 3.01Å; Q144-T148 PolarHBondContact O-OG1 3Å; K145-T148 PolarHBondContact O-N 3.35Å; A146-T148 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.43Å; T148-K152 PolarHBondContact O-N 3.39Å |
| 149 | R | 98.5 | Very high | 97.8 | Very high | 156 Ų | 156 | 100 Ų | 100 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -49.4 | 175.9 | -168.9 | -170.6 | 84.8 | -138.5 | 4.6 | 111.3 | K145 A146 R151 K152 E153 | K145-R149 PolarHBondContact O-N 2.99Å; A146-R149 PolarHBondContact O-N 3.28Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.38Å; R149-K152 WeakPolarHBondContact O-CB 3.42Å; R149-K152 PolarHBondContact O-N 2.92Å; R149-E153 PolarHBondContact O-N 2.7Å |
| 150 | L | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | -176.6 | -70.6 | 173.5 | 0 | 0 | 0 | 112.5 | A146 L147 E153 Q154 | A146-L150 WeakPolarHBondContact O-CB 3.44Å; A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 3.26Å; L147-L150 PolarHBondContact O-N 3.49Å; L150-E153 PolarHBondContact O-N 3.37Å; L150-Q154 PolarHBondContact O-N 2.88Å |
| 151 | R | 98.5 | Very high | 98.2 | Very high | 143 Ų | 143 | 100.1 Ų | 100.1 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 171.9 | -75.5 | 174.9 | 179.7 | 167.5 | 0.3 | 112.3 | L147 R149 E153 Q154 E155 | L147-R151 WeakPolarHBondContact O-CB 3.32Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.45Å; L147-R151 PolarHBondContact O-N 2.86Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.38Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3Å; R151-Q154 WeakPolarHBondContact O-CB 3.48Å; R151-Q154 PolarHBondContact O-N 3.38Å; R151-E155 WeakPolarHBondContact O-CG 3.43Å; R151-E155 PolarHBondContact O-N 2.98Å |
| 152 | K | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 98 Ų | 98 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 174.2 | -69.8 | -179.1 | 178.2 | -173.7 | 0 | 112.7 | T148 R149 Q154 E155 K156 | T148-K152 PolarHBondContact O-N 3.39Å; R149-K152 WeakPolarHBondContact O-CB 3.42Å; R149-K152 PolarHBondContact O-N 2.92Å; K152-Q154 VanDerWaalsContact C-N 3.34Å; K152-E155 PolarHBondContact O-N 2.94Å; K152-K156 WeakPolarHBondContact O-CG 3.25Å; K152-K156 PolarHBondContact O-N 3.38Å |
| 153 | E | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 98.2 Ų | 98.2 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 174.1 | -64.9 | -53.4 | 136.1 | 0 | 0 | 111.8 | R149 L150 R151 K156 V157 | R149-E153 PolarHBondContact O-N 2.7Å; L150-E153 PolarHBondContact O-N 3.37Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.31Å; E153-K156 IonicContact OE1-NZ 3.94Å; E153-K156 PolarHBondContact OE1-NZ 3.01Å; E153-K156 IonicContact OE2-NZ 2.67Å; E153-K156 PolarHBondContact OE2-NZ 3.24Å; E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.15Å |
| 154 | Q | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.8 | -175.9 | 177.1 | 6.2 | 0 | 0 | 111.9 | L150 R151 K152 K156 V157 E158 | L150-Q154 PolarHBondContact O-N 2.88Å; R151-Q154 WeakPolarHBondContact O-CB 3.48Å; R151-Q154 PolarHBondContact O-N 3.38Å; K152-Q154 VanDerWaalsContact C-N 3.34Å; Q154-K156 VanDerWaalsContact C-N 3.3Å; Q154-K156 PolarHBondContact O-N 3.24Å; Q154-V157 WeakPolarHBondContact O-CB 3.49Å; Q154-V157 PolarHBondContact O-N 3.32Å; Q154-V157 VanDerWaalsContact O-N 3.11Å; Q154-E158 PolarHBondContact O-N 2.78Å; Q154-E158 VanDerWaalsContact O-N 3.09Å |
| 155 | E | 98.1 | Very high | 98.3 | Very high | 119 Ų | 119 | 98.1 Ų | 98.1 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -41.5 | 174.5 | -71.1 | 167.6 | -173 | 0 | 0 | 111.7 | R151 K152 V157 E158 T159 | R151-E155 WeakPolarHBondContact O-CG 3.43Å; R151-E155 PolarHBondContact O-N 2.98Å; K152-E155 PolarHBondContact O-N 2.94Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.01Å; E155-E158 PolarHBondContact O-N 3.24Å; E155-T159 PolarHBondContact O-N 3.4Å |
| 156 | K | 98.3 | Very high | 98.3 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 175.5 | -68.8 | 172.9 | -173.2 | 171.9 | 0 | 113.1 | K152 E153 Q154 E158 T159 L160 | K152-K156 WeakPolarHBondContact O-CG 3.25Å; K152-K156 PolarHBondContact O-N 3.38Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.31Å; E153-K156 IonicContact OE1-NZ 3.94Å; E153-K156 PolarHBondContact OE1-NZ 3.01Å; E153-K156 IonicContact OE2-NZ 2.67Å; E153-K156 PolarHBondContact OE2-NZ 3.24Å; Q154-K156 VanDerWaalsContact C-N 3.3Å; Q154-K156 PolarHBondContact O-N 3.24Å; K156-E158 VanDerWaalsContact C-N 3.33Å; K156-T159 WeakPolarHBondContact CA-OG1 3.34Å; K156-T159 PolarHBondContact O-N 3Å; K156-T159 PolarHBondContact O-OG1 3.14Å; K156-L160 WeakPolarHBondContact O-CB 3.33Å; K156-L160 VanDerWaalsContact O-CG 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.5Å; K156-L160 PolarHBondContact O-N 2.95Å |
| 157 | V | 98.2 | Very high | 98.3 | Very high | 77 Ų | 77 | 101.8 Ų | 101.8 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | E153 Q154 E155 T159 L160 E161 | E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.15Å; Q154-V157 WeakPolarHBondContact O-CB 3.49Å; Q154-V157 PolarHBondContact O-N 3.32Å; Q154-V157 VanDerWaalsContact O-N 3.11Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.01Å; V157-T159 VanDerWaalsContact C-N 3.34Å; V157-T159 PolarHBondContact O-N 2.92Å; V157-L160 PolarHBondContact O-N 3.27Å; V157-E161 HydrophobicContact CG1-CG 4.38Å; V157-E161 WeakPolarHBondContact O-CB 3.43Å; V157-E161 WeakPolarHBondContact O-CG 3.33Å; V157-E161 PolarHBondContact O-N 2.9Å |
| 158 | E | 97.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 104.7 Ų | 104.7 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.1 | -68.2 | 173.8 | -173.8 | 0 | 0 | 112.2 | Q154 E155 K156 E161 A162 | Q154-E158 PolarHBondContact O-N 2.78Å; Q154-E158 VanDerWaalsContact O-N 3.09Å; E155-E158 PolarHBondContact O-N 3.24Å; K156-E158 VanDerWaalsContact C-N 3.33Å; E158-E161 PolarHBondContact O-N 3.44Å; E158-A162 PolarHBondContact O-N 3.45Å; E158-A162 VanDerWaalsContact O-N 3.11Å |
| 159 | T | 98.2 | Very high | 98.3 | Very high | 80 Ų | 80 | 107 Ų | 107 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | E155 K156 V157 E161 A162 D163 | E155-T159 PolarHBondContact O-N 3.4Å; K156-T159 WeakPolarHBondContact CA-OG1 3.34Å; K156-T159 PolarHBondContact O-N 3Å; K156-T159 PolarHBondContact O-OG1 3.14Å; V157-T159 VanDerWaalsContact C-N 3.34Å; V157-T159 PolarHBondContact O-N 2.92Å; T159-E161 VanDerWaalsContact C-N 3.3Å; T159-E161 PolarHBondContact O-N 2.89Å; T159-A162 WeakPolarHBondContact O-CB 3.39Å; T159-A162 PolarHBondContact O-N 3.32Å; T159-A162 VanDerWaalsContact O-N 3.08Å; T159-D163 VanDerWaalsContact O-CG 3.31Å; T159-D163 PolarHBondContact O-N 3.29Å |
| 160 | L | 98.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 178.7 | -71.9 | 172.1 | 0 | 0 | 0 | 112.2 | K156 V157 A162 D163 I164 | K156-L160 WeakPolarHBondContact O-CB 3.33Å; K156-L160 VanDerWaalsContact O-CG 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.5Å; K156-L160 PolarHBondContact O-N 2.95Å; V157-L160 PolarHBondContact O-N 3.27Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-D163 PolarHBondContact O-N 3.48Å; L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CD1 3.32Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.49Å |
| 161 | E | 98.4 | Very high | 98.2 | Very high | 99 Ų | 99 | 105.3 Ų | 105.3 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 173.2 | -78.9 | -168 | 177.8 | 0 | 0 | 112.5 | V157 E158 T159 K165 | V157-E161 HydrophobicContact CG1-CG 4.38Å; V157-E161 WeakPolarHBondContact O-CB 3.43Å; V157-E161 WeakPolarHBondContact O-CG 3.33Å; V157-E161 PolarHBondContact O-N 2.9Å; E158-E161 PolarHBondContact O-N 3.44Å; T159-E161 VanDerWaalsContact C-N 3.3Å; T159-E161 PolarHBondContact O-N 2.89Å; E161-K165 WeakPolarHBondContact O-CB 3.46Å; E161-K165 WeakPolarHBondContact O-CD 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.23Å; E161-K165 PolarHBondContact O-N 2.93Å; E161-K165 VanDerWaalsContact O-N 3.12Å; E161-K165 IonicContact OE2-NZ 3.09Å |
| 162 | A | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 104.4 Ų | 104.4 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E158 T159 L160 I164 K165 E166 | E158-A162 PolarHBondContact O-N 3.45Å; E158-A162 VanDerWaalsContact O-N 3.11Å; T159-A162 WeakPolarHBondContact O-CB 3.39Å; T159-A162 PolarHBondContact O-N 3.32Å; T159-A162 VanDerWaalsContact O-N 3.08Å; L160-A162 VanDerWaalsContact C-N 3.31Å; A162-I164 PolarHBondContact O-N 3.33Å; A162-K165 WeakPolarHBondContact O-CB 3.44Å; A162-K165 PolarHBondContact O-N 3.02Å; A162-K165 VanDerWaalsContact O-N 3.1Å; A162-E166 PolarHBondContact O-N 3.34Å |
| 163 | D | 98.1 | Very high | 98.2 | Very high | 81 Ų | 81 | 102.3 Ų | 102.3 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 177.2 | -63.6 | -16.7 | 0 | 0 | 0 | 111.1 | T159 L160 K165 E166 D167 | T159-D163 VanDerWaalsContact O-CG 3.31Å; T159-D163 PolarHBondContact O-N 3.29Å; L160-D163 PolarHBondContact O-N 3.48Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 3.38Å; D163-E166 WeakPolarHBondContact O-CB 3.49Å; D163-E166 PolarHBondContact O-N 2.88Å; D163-E166 VanDerWaalsContact O-N 3.15Å; D163-D167 WeakPolarHBondContact O-CB 3.48Å; D163-D167 PolarHBondContact O-N 3.09Å |
| 164 | I | 98.2 | Very high | 98.1 | Very high | 113 Ų | 113 | 104.3 Ų | 104.3 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -37.1 | 177.4 | -70 | 166.6 | 0 | 0 | 0 | 111.5 | L160 A162 R168 | L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CD1 3.32Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.49Å; A162-I164 PolarHBondContact O-N 3.33Å; I164-R168 VanDerWaalsContact O-CB 3.27Å; I164-R168 WeakPolarHBondContact O-CB 3.37Å; I164-R168 PolarHBondContact O-N 2.99Å |
| 165 | K | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 45% | 0.452 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 176.5 | -75.5 | 164.4 | -168.6 | 157.5 | 0 | 110.7 | E161 A162 D163 L169 | E161-K165 WeakPolarHBondContact O-CB 3.46Å; E161-K165 WeakPolarHBondContact O-CD 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.23Å; E161-K165 PolarHBondContact O-N 2.93Å; E161-K165 VanDerWaalsContact O-N 3.12Å; E161-K165 IonicContact OE2-NZ 3.09Å; A162-K165 WeakPolarHBondContact O-CB 3.44Å; A162-K165 PolarHBondContact O-N 3.02Å; A162-K165 VanDerWaalsContact O-N 3.1Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 3.38Å; K165-L169 WeakPolarHBondContact O-CG 3.42Å; K165-L169 PolarHBondContact O-N 3.2Å |
| 166 | E | 98.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -50.9 | 175.1 | -178.9 | 171.2 | -162.8 | 0 | 0 | 111.5 | A162 D163 R168 L169 S170 | A162-E166 PolarHBondContact O-N 3.34Å; D163-E166 WeakPolarHBondContact O-CB 3.49Å; D163-E166 PolarHBondContact O-N 2.88Å; D163-E166 VanDerWaalsContact O-N 3.15Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-L169 CarbonylContact O-C 3.54Å; E166-L169 WeakPolarHBondContact O-CA 3.47Å; E166-L169 WeakPolarHBondContact O-CB 3.24Å; E166-L169 PolarHBondContact O-N 3.01Å; E166-S170 WeakPolarHBondContact O-CB 3.49Å; E166-S170 PolarHBondContact O-N 3.45Å |
| 167 | D | 98 | Very high | 98 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 57% | 0.572 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -54.2 | -42.9 | 176.5 | -82.7 | -15.7 | 0 | 0 | 0 | 111.5 | D163 L169 S170 W171 | D163-D167 WeakPolarHBondContact O-CB 3.48Å; D163-D167 PolarHBondContact O-N 3.09Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.48Å; D167-S170 PolarHBondContact O-N 3.3Å; D167-W171 VanDerWaalsContact O-CB 3.24Å; D167-W171 WeakPolarHBondContact O-CB 3.27Å; D167-W171 PolarHBondContact O-N 3.16Å |
| 168 | R | 98.3 | Very high | 98 | Very high | 144 Ų | 144 | 99.4 Ų | 99.4 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.5 | -177.2 | 179.3 | 66.1 | 178.1 | -0.4 | 112.3 | I164 E166 K172 | I164-R168 VanDerWaalsContact O-CB 3.27Å; I164-R168 WeakPolarHBondContact O-CB 3.37Å; I164-R168 PolarHBondContact O-N 2.99Å; E166-R168 PolarHBondContact O-N 3.44Å; R168-K172 WeakPolarHBondContact O-CG 3.43Å; R168-K172 PolarHBondContact O-N 3.1Å |
| 169 | L | 98.2 | Very high | 98 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.1 | -46.6 | 177.1 | -70.1 | 173.3 | 0 | 0 | 0 | 110.9 | K165 E166 D167 W171 K172 C173 | K165-L169 WeakPolarHBondContact O-CG 3.42Å; K165-L169 PolarHBondContact O-N 3.2Å; E166-L169 CarbonylContact O-C 3.54Å; E166-L169 WeakPolarHBondContact O-CA 3.47Å; E166-L169 WeakPolarHBondContact O-CB 3.24Å; E166-L169 PolarHBondContact O-N 3.01Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.48Å; L169-W171 PolarHBondContact O-N 3.44Å; L169-K172 PolarHBondContact O-N 3.06Å; L169-C173 PolarHBondContact O-N 3.28Å; L169-C173 PolarHBondContact O-SG 3.37Å; L169-C173 VanDerWaalsContact O-SG 3.42Å |
| 170 | S | 97.8 | Very high | 98.1 | Very high | 53 Ų | 53 | 102.4 Ų | 102.4 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.1 | -49.4 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | E166 D167 K172 C173 Q174 | E166-S170 WeakPolarHBondContact O-CB 3.49Å; E166-S170 PolarHBondContact O-N 3.45Å; D167-S170 PolarHBondContact O-N 3.3Å; S170-K172 PolarHBondContact O-N 3.48Å; S170-C173 WeakPolarHBondContact O-CB 3.44Å; S170-C173 PolarHBondContact O-N 3.05Å; S170-Q174 WeakPolarHBondContact O-CG 3.37Å; S170-Q174 PolarHBondContact O-N 2.93Å; S170-Q174 PolarHBondContact OG-NE2 3.4Å |
| 171 | W | 97.9 | Very high | 98 | Very high | 163 Ų | 163 | 105.6 Ų | 105.6 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 177.6 | -176.4 | 85.5 | 0 | 0 | 0 | 112.4 | D167 L169 C173 Q174 V175 | D167-W171 VanDerWaalsContact O-CB 3.24Å; D167-W171 WeakPolarHBondContact O-CB 3.27Å; D167-W171 PolarHBondContact O-N 3.16Å; L169-W171 PolarHBondContact O-N 3.44Å; W171-C173 VanDerWaalsContact C-N 3.34Å; W171-C173 PolarHBondContact O-N 2.93Å; W171-Q174 PolarHBondContact O-N 3.36Å; W171-V175 HydrophobicContact CD2-CG2 3.95Å; W171-V175 HydrophobicContact CE3-CG2 4.17Å; W171-V175 HydrophobicContact CH2-CG2 3.97Å; W171-V175 HydrophobicContact CZ2-CG2 3.72Å; W171-V175 HydrophobicContact CZ3-CG2 4.18Å; W171-V175 WeakPolarHBondContact O-CG2 3.35Å; W171-V175 PolarHBondContact O-N 2.88Å |
| 172 | K | 98.2 | Very high | 98 | Very high | 124 Ų | 124 | 105 Ų | 105 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.2 | -79.4 | -178.4 | 177.3 | -173.4 | 0 | 112 | R168 L169 S170 V175 Q176 | R168-K172 WeakPolarHBondContact O-CG 3.43Å; R168-K172 PolarHBondContact O-N 3.1Å; L169-K172 PolarHBondContact O-N 3.06Å; S170-K172 PolarHBondContact O-N 3.48Å; K172-V175 PolarHBondContact O-N 2.82Å; K172-Q176 WeakPolarHBondContact O-CB 3.24Å; K172-Q176 PolarHBondContact O-N 3.42Å |
| 173 | C | 97.9 | Very high | 98 | Very high | 82 Ų | 82 | 108.3 Ų | 108.3 | 55% | 0.554 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 175.6 | -71 | 0 | 0 | 0 | 0 | 111.5 | L169 S170 W171 V175 Q176 T177 | L169-C173 PolarHBondContact O-N 3.28Å; L169-C173 PolarHBondContact O-SG 3.37Å; L169-C173 VanDerWaalsContact O-SG 3.42Å; S170-C173 WeakPolarHBondContact O-CB 3.44Å; S170-C173 PolarHBondContact O-N 3.05Å; W171-C173 VanDerWaalsContact C-N 3.34Å; W171-C173 PolarHBondContact O-N 2.93Å; C173-V175 PolarHBondContact O-N 2.82Å; C173-Q176 PolarHBondContact O-N 3.47Å; C173-Q176 VanDerWaalsContact O-N 3.16Å; C173-T177 PolarHBondContact O-N 3.42Å; C173-T177 PolarHBondContact O-OG1 2.83Å; C173-T177 VanDerWaalsContact O-OG1 3.09Å |
| 174 | Q | 97.6 | Very high | 98 | Very high | 123 Ų | 123 | 108 Ų | 108 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.6 | -46.4 | 176.9 | -71.2 | 178.1 | 31.2 | 0 | 0 | 112 | S170 W171 Q176 T177 E178 | S170-Q174 WeakPolarHBondContact O-CG 3.37Å; S170-Q174 PolarHBondContact O-N 2.93Å; S170-Q174 PolarHBondContact OG-NE2 3.4Å; W171-Q174 PolarHBondContact O-N 3.36Å; Q174-Q176 VanDerWaalsContact C-N 3.3Å; Q174-Q176 PolarHBondContact O-N 2.83Å; Q174-T177 PolarHBondContact O-N 3.25Å; Q174-E178 PolarHBondContact O-N 3.48Å |
| 175 | V | 97 | Very high | 97.9 | Very high | 44 Ų | 44 | 104 Ų | 104 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | W171 K172 C173 E178 R179 | W171-V175 HydrophobicContact CD2-CG2 3.95Å; W171-V175 HydrophobicContact CE3-CG2 4.17Å; W171-V175 HydrophobicContact CH2-CG2 3.97Å; W171-V175 HydrophobicContact CZ2-CG2 3.72Å; W171-V175 HydrophobicContact CZ3-CG2 4.18Å; W171-V175 WeakPolarHBondContact O-CG2 3.35Å; W171-V175 PolarHBondContact O-N 2.88Å; K172-V175 PolarHBondContact O-N 2.82Å; C173-V175 PolarHBondContact O-N 2.82Å; V175-E178 PolarHBondContact O-N 3.17Å; V175-R179 WeakPolarHBondContact O-CB 3.38Å; V175-R179 VanDerWaalsContact O-CG 3.25Å; V175-R179 WeakPolarHBondContact O-CG 3.47Å; V175-R179 PolarHBondContact O-N 3.01Å |
| 176 | Q | 98.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 179.3 | -173.9 | 62 | 9.3 | 0 | 0 | 112.4 | K172 C173 Q174 R179 Q180 | K172-Q176 WeakPolarHBondContact O-CB 3.24Å; K172-Q176 PolarHBondContact O-N 3.42Å; C173-Q176 PolarHBondContact O-N 3.47Å; C173-Q176 VanDerWaalsContact O-N 3.16Å; Q174-Q176 VanDerWaalsContact C-N 3.3Å; Q174-Q176 PolarHBondContact O-N 2.83Å; Q176-R179 WeakPolarHBondContact O-CB 3.44Å; Q176-R179 PolarHBondContact O-N 3.27Å; Q176-Q180 WeakPolarHBondContact O-CG 3.43Å; Q176-Q180 PolarHBondContact O-N 2.84Å |
| 177 | T | 97.5 | Very high | 97.8 | Very high | 87 Ų | 87 | 101.9 Ų | 101.9 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | C173 Q174 R179 Q180 R181 | C173-T177 PolarHBondContact O-N 3.42Å; C173-T177 PolarHBondContact O-OG1 2.83Å; C173-T177 VanDerWaalsContact O-OG1 3.09Å; Q174-T177 PolarHBondContact O-N 3.25Å; T177-R179 PolarHBondContact O-N 3.17Å; T177-Q180 PolarHBondContact O-N 3.45Å; T177-R181 WeakPolarHBondContact O-CB 3.18Å; T177-R181 PolarHBondContact O-N 3.24Å |
| 178 | E | 97.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 178.5 | -169.9 | 58.7 | -153.5 | 0 | 0 | 111.6 | Q174 V175 Q180 R181 I182 | Q174-E178 PolarHBondContact O-N 3.48Å; V175-E178 PolarHBondContact O-N 3.17Å; E178-Q180 VanDerWaalsContact C-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.07Å; E178-R181 PolarHBondContact O-N 2.91Å; E178-R181 IonicContact OE1-CZ 3.74Å; E178-R181 IonicContact OE1-NH1 3.65Å; E178-R181 IonicContact OE2-CZ 3.57Å; E178-R181 IonicContact OE2-NE 3.66Å; E178-R181 IonicContact OE2-NH1 2.82Å; E178-R181 PolarHBondContact OE2-NH1 3.12Å; E178-I182 HydrophobicContact CG-CD1 4.2Å; E178-I182 VanDerWaalsContact O-CG1 3.28Å; E178-I182 WeakPolarHBondContact O-CG1 3.47Å; E178-I182 PolarHBondContact O-N 3.17Å |
| 179 | R | 98.4 | Very high | 97.7 | Very high | 152 Ų | 152 | 99.7 Ų | 99.7 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57 | -47.1 | 171.4 | -76.9 | 170.6 | -177.3 | -101.7 | 0.8 | 111.8 | V175 Q176 T177 I182 Q183 | V175-R179 WeakPolarHBondContact O-CB 3.38Å; V175-R179 VanDerWaalsContact O-CG 3.25Å; V175-R179 WeakPolarHBondContact O-CG 3.47Å; V175-R179 PolarHBondContact O-N 3.01Å; Q176-R179 WeakPolarHBondContact O-CB 3.44Å; Q176-R179 PolarHBondContact O-N 3.27Å; T177-R179 PolarHBondContact O-N 3.17Å; R179-I182 PolarHBondContact O-N 3.25Å; R179-Q183 WeakPolarHBondContact O-CG 3.48Å; R179-Q183 PolarHBondContact O-N 3.44Å |
| 180 | Q | 98.4 | Very high | 97.7 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.4 | -73.2 | 177.1 | -15.9 | 0 | 0 | 112 | Q176 T177 E178 Q183 T184 | Q176-Q180 WeakPolarHBondContact O-CG 3.43Å; Q176-Q180 PolarHBondContact O-N 2.84Å; T177-Q180 PolarHBondContact O-N 3.45Å; E178-Q180 VanDerWaalsContact C-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.07Å; Q180-Q183 PolarHBondContact O-N 3.19Å; Q180-T184 VanDerWaalsContact O-CB 3.32Å; Q180-T184 WeakPolarHBondContact O-CB 3.35Å; Q180-T184 PolarHBondContact O-N 2.95Å; Q180-T184 PolarHBondContact O-OG1 3.36Å |
| 181 | R | 98.1 | Very high | 97.8 | Very high | 168 Ų | 168 | 107.1 Ų | 107.1 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 176 | -179.8 | -179.2 | 156.6 | -156.7 | 1.1 | 111.7 | T177 E178 T184 G185 | T177-R181 WeakPolarHBondContact O-CB 3.18Å; T177-R181 PolarHBondContact O-N 3.24Å; E178-R181 PolarHBondContact O-N 2.91Å; E178-R181 IonicContact OE1-CZ 3.74Å; E178-R181 IonicContact OE1-NH1 3.65Å; E178-R181 IonicContact OE2-CZ 3.57Å; E178-R181 IonicContact OE2-NE 3.66Å; E178-R181 IonicContact OE2-NH1 2.82Å; E178-R181 PolarHBondContact OE2-NH1 3.12Å; R181-T184 PolarHBondContact O-N 3.42Å; R181-G185 PolarHBondContact O-N 2.82Å |
| 182 | I | 97.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 104.3 Ų | 104.3 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 174.8 | -69.6 | 166.6 | 0 | 0 | 0 | 110 | E178 R179 T184 G185 F186 | E178-I182 HydrophobicContact CG-CD1 4.2Å; E178-I182 VanDerWaalsContact O-CG1 3.28Å; E178-I182 WeakPolarHBondContact O-CG1 3.47Å; E178-I182 PolarHBondContact O-N 3.17Å; R179-I182 PolarHBondContact O-N 3.25Å; I182-T184 VanDerWaalsContact C-N 3.33Å; I182-T184 PolarHBondContact O-N 3.2Å; I182-G185 PolarHBondContact O-N 2.88Å; I182-F186 HydrophobicContact CG2-CD2 3.82Å; I182-F186 HydrophobicContact CG2-CE2 3.93Å; I182-F186 WeakPolarHBondContact O-CD2 3.23Å; I182-F186 PolarHBondContact O-N 2.95Å |
| 183 | Q | 98.6 | Very high | 97.7 | Very high | 120 Ų | 120 | 102.7 Ų | 102.7 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.4 | -43 | 179.7 | -73.4 | 175.8 | -22 | 0 | 0 | 112.5 | R179 Q180 F186 N187 | R179-Q183 WeakPolarHBondContact O-CG 3.48Å; R179-Q183 PolarHBondContact O-N 3.44Å; Q180-Q183 PolarHBondContact O-N 3.19Å; Q183-F186 PolarHBondContact O-N 3.18Å; Q183-N187 WeakPolarHBondContact O-CB 3.43Å; Q183-N187 VanDerWaalsContact O-CG 3.22Å; Q183-N187 PolarHBondContact O-N 3.42Å; Q183-N187 PolarHBondContact O-ND2 3.38Å |
| 184 | T | 98.3 | Very high | 97.7 | Very high | 74 Ų | 74 | 103 Ų | 103 | 45% | 0.454 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | Q180 R181 I182 F186 N187 Q188 | Q180-T184 VanDerWaalsContact O-CB 3.32Å; Q180-T184 WeakPolarHBondContact O-CB 3.35Å; Q180-T184 PolarHBondContact O-N 2.95Å; Q180-T184 PolarHBondContact O-OG1 3.36Å; R181-T184 PolarHBondContact O-N 3.42Å; I182-T184 VanDerWaalsContact C-N 3.33Å; I182-T184 PolarHBondContact O-N 3.2Å; T184-F186 PolarHBondContact O-N 3.44Å; T184-N187 PolarHBondContact O-N 3.33Å; T184-Q188 WeakPolarHBondContact O-CG 3.49Å; T184-Q188 PolarHBondContact O-N 3.35Å |
| 185 | G | 96.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 104.2 Ų | 104.2 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R181 I182 N187 Q188 L189 | R181-G185 PolarHBondContact O-N 2.82Å; I182-G185 PolarHBondContact O-N 2.88Å; G185-N187 PolarHBondContact O-N 3.23Å; G185-Q188 PolarHBondContact O-N 3.06Å; G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 2.93Å |
| 186 | F | 96.9 | Very high | 97.7 | Very high | 116 Ų | 116 | 105.9 Ų | 105.9 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 177.2 | -85.2 | -78.5 | 0 | 0 | 0 | 113.3 | I182 Q183 T184 Q188 L189 R190 | I182-F186 HydrophobicContact CG2-CD2 3.82Å; I182-F186 HydrophobicContact CG2-CE2 3.93Å; I182-F186 WeakPolarHBondContact O-CD2 3.23Å; I182-F186 PolarHBondContact O-N 2.95Å; Q183-F186 PolarHBondContact O-N 3.18Å; T184-F186 PolarHBondContact O-N 3.44Å; F186-Q188 VanDerWaalsContact C-N 3.33Å; F186-L189 HydrophobicContact CD1-CD1 4.36Å; F186-L189 PolarHBondContact O-N 3.41Å; F186-R190 WeakPolarHBondContact O-CG 3.22Å; F186-R190 PolarHBondContact O-N 2.81Å |
| 187 | N | 98.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 106.5 Ų | 106.5 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 175.2 | -74.5 | -18.8 | 0 | 0 | 0 | 112.2 | Q183 T184 G185 R190 R191 | Q183-N187 WeakPolarHBondContact O-CB 3.43Å; Q183-N187 VanDerWaalsContact O-CG 3.22Å; Q183-N187 PolarHBondContact O-N 3.42Å; Q183-N187 PolarHBondContact O-ND2 3.38Å; T184-N187 PolarHBondContact O-N 3.33Å; G185-N187 PolarHBondContact O-N 3.23Å; N187-R190 PolarHBondContact OD1-NH1 2.93Å; N187-R191 WeakPolarHBondContact O-CG 3.49Å; N187-R191 PolarHBondContact O-N 3.41Å; N187-R191 VanDerWaalsContact O-N 3.14Å |
| 188 | Q | 98 | Very high | 97.6 | Very high | 114 Ų | 114 | 107.1 Ų | 107.1 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 172.3 | -70.9 | 173.6 | -2 | 0 | 0 | 111.5 | T184 G185 F186 R190 R191 I192 | T184-Q188 WeakPolarHBondContact O-CG 3.49Å; T184-Q188 PolarHBondContact O-N 3.35Å; G185-Q188 PolarHBondContact O-N 3.06Å; F186-Q188 VanDerWaalsContact C-N 3.33Å; Q188-R190 PolarHBondContact O-N 3.4Å; Q188-R191 PolarHBondContact O-N 2.9Å; Q188-I192 WeakPolarHBondContact O-CG1 3.44Å; Q188-I192 PolarHBondContact O-N 3.39Å |
| 189 | L | 96 | Very high | 97.6 | Very high | 92 Ų | 92 | 110.4 Ų | 110.4 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.9 | -69.7 | 173.6 | 0 | 0 | 0 | 111.9 | G185 F186 R191 I192 L193 | G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 2.93Å; F186-L189 HydrophobicContact CD1-CD1 4.36Å; F186-L189 PolarHBondContact O-N 3.41Å; L189-R191 PolarHBondContact O-N 3.37Å; L189-I192 PolarHBondContact O-N 3.19Å; L189-I192 VanDerWaalsContact O-N 3.17Å; L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.5Å |
| 190 | R | 98.2 | Very high | 97.5 | Very high | 139 Ų | 139 | 104.7 Ų | 104.7 | 53% | 0.525 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57 | -48.5 | 175.2 | -70.5 | 178.5 | -169.6 | 124.1 | -0.5 | 111.8 | F186 N187 Q188 I192 L193 D194 | F186-R190 WeakPolarHBondContact O-CG 3.22Å; F186-R190 PolarHBondContact O-N 2.81Å; N187-R190 PolarHBondContact OD1-NH1 2.93Å; Q188-R190 PolarHBondContact O-N 3.4Å; R190-I192 PolarHBondContact O-N 3.31Å; R190-L193 PolarHBondContact O-N 2.97Å; R190-D194 PolarHBondContact O-N 3.46Å |
| 191 | R | 98.4 | Very high | 97.5 | Very high | 175 Ų | 175 | 103.3 Ų | 103.3 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.7 | -34.3 | 177.3 | -72.9 | 175.1 | 179.8 | -174 | 0.5 | 113.4 | N187 Q188 L189 K195 | N187-R191 WeakPolarHBondContact O-CG 3.49Å; N187-R191 PolarHBondContact O-N 3.41Å; N187-R191 VanDerWaalsContact O-N 3.14Å; Q188-R191 PolarHBondContact O-N 2.9Å; L189-R191 PolarHBondContact O-N 3.37Å; R191-K195 WeakPolarHBondContact O-CB 3.39Å; R191-K195 VanDerWaalsContact O-CG 3.25Å; R191-K195 WeakPolarHBondContact O-CG 3.44Å; R191-K195 PolarHBondContact O-N 3.34Å |
| 192 | I | 97.2 | Very high | 97.4 | Very high | 105 Ų | 105 | 100.7 Ų | 100.7 | 54% | 0.538 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 176 | -68.1 | 165.4 | 0 | 0 | 0 | 109.7 | Q188 L189 R190 K195 E196 | Q188-I192 WeakPolarHBondContact O-CG1 3.44Å; Q188-I192 PolarHBondContact O-N 3.39Å; L189-I192 PolarHBondContact O-N 3.19Å; L189-I192 VanDerWaalsContact O-N 3.17Å; R190-I192 PolarHBondContact O-N 3.31Å; I192-K195 PolarHBondContact O-N 3.04Å; I192-E196 PolarHBondContact O-N 3.31Å |
| 193 | L | 96.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 100.2 Ų | 100.2 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 178.5 | -66.1 | 174.5 | 0 | 0 | 0 | 111.8 | L189 R190 K195 E196 E197 L282 | L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.5Å; R190-L193 PolarHBondContact O-N 2.97Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.17Å; L193-E196 PolarHBondContact O-N 3.5Å; L193-E196 VanDerWaalsContact O-N 3.12Å; L193-E197 PolarHBondContact O-N 3.05Å; L193-L282 HydrophobicContact CD2-CD1 3.83Å |
| 194 | D | 98.2 | Very high | 97.2 | Very high | 88 Ų | 88 | 98.2 Ų | 98.2 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 176.7 | -60.4 | -21.9 | 0 | 0 | 0 | 110.7 | R190 E196 E197 Q198 | R190-D194 PolarHBondContact O-N 3.46Å; D194-E196 VanDerWaalsContact C-N 3.32Å; D194-E196 PolarHBondContact O-N 2.94Å; D194-E197 PolarHBondContact O-N 3.27Å; D194-Q198 VanDerWaalsContact O-CG 3.27Å; D194-Q198 WeakPolarHBondContact O-CG 3.23Å; D194-Q198 PolarHBondContact O-N 3.38Å |
| 195 | K | 98.1 | Very high | 97.1 | Very high | 149 Ų | 149 | 100.9 Ų | 100.9 | 65% | 0.648 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 177 | -78.4 | 177.3 | 179.7 | -173.5 | 0 | 112.5 | R191 I192 L193 R199 | R191-K195 WeakPolarHBondContact O-CB 3.39Å; R191-K195 VanDerWaalsContact O-CG 3.25Å; R191-K195 WeakPolarHBondContact O-CG 3.44Å; R191-K195 PolarHBondContact O-N 3.34Å; I192-K195 PolarHBondContact O-N 3.04Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.17Å; K195-R199 WeakPolarHBondContact O-CB 3.45Å; K195-R199 PolarHBondContact O-N 3.35Å |
| 196 | E | 96.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 104.7 Ų | 104.7 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | -180 | -162.7 | 59.9 | -166.3 | 0 | 0 | 111.5 | I192 L193 D194 Q198 R199 E200 | I192-E196 PolarHBondContact O-N 3.31Å; L193-E196 PolarHBondContact O-N 3.5Å; L193-E196 VanDerWaalsContact O-N 3.12Å; D194-E196 VanDerWaalsContact C-N 3.32Å; D194-E196 PolarHBondContact O-N 2.94Å; E196-Q198 PolarHBondContact O-N 3.05Å; E196-R199 WeakPolarHBondContact O-CB 3.44Å; E196-R199 PolarHBondContact O-N 3.16Å; E196-R199 IonicContact OE1-NE 2.82Å; E196-R199 IonicContact OE2-CZ 3.05Å; E196-R199 IonicContact OE2-NE 2.83Å; E196-R199 PolarHBondContact OE2-NE 3.01Å; E196-R199 IonicContact OE2-NH2 2.66Å; E196-E200 WeakPolarHBondContact O-CG 3.31Å; E196-E200 PolarHBondContact O-N 3.32Å |
| 197 | E | 97 | Very high | 96.9 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 170.9 | -179.5 | -179.7 | -147 | 0 | 0 | 111.3 | L193 D194 R199 E200 L201 | L193-E197 PolarHBondContact O-N 3.05Å; D194-E197 PolarHBondContact O-N 3.27Å; E197-R199 VanDerWaalsContact C-N 3.28Å; E197-R199 PolarHBondContact O-N 3.01Å; E197-E200 PolarHBondContact O-N 3.39Å; E197-L201 HydrophobicContact CG-CD1 3.99Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.46Å; E197-L201 PolarHBondContact O-N 2.82Å |
| 198 | Q | 98.4 | Very high | 96.7 | Very high | 100 Ų | 100 | 101.9 Ų | 101.9 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 178.7 | -68.4 | -52 | -49.5 | 0 | 0 | 112.8 | D194 E196 K202 | D194-Q198 VanDerWaalsContact O-CG 3.27Å; D194-Q198 WeakPolarHBondContact O-CG 3.23Å; D194-Q198 PolarHBondContact O-N 3.38Å; E196-Q198 PolarHBondContact O-N 3.05Å; Q198-K202 WeakPolarHBondContact O-CB 3.18Å; Q198-K202 PolarHBondContact O-N 2.92Å |
| 199 | R | 97.2 | Very high | 96.7 | Very high | 149 Ų | 149 | 101.3 Ų | 101.3 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.2 | -49 | 174.9 | -176.2 | -163.8 | -52.5 | -78.3 | -3.3 | 111 | K195 E196 E197 K202 R203 | K195-R199 WeakPolarHBondContact O-CB 3.45Å; K195-R199 PolarHBondContact O-N 3.35Å; E196-R199 WeakPolarHBondContact O-CB 3.44Å; E196-R199 PolarHBondContact O-N 3.16Å; E196-R199 IonicContact OE1-NE 2.82Å; E196-R199 IonicContact OE2-CZ 3.05Å; E196-R199 IonicContact OE2-NE 2.83Å; E196-R199 PolarHBondContact OE2-NE 3.01Å; E196-R199 IonicContact OE2-NH2 2.66Å; E197-R199 VanDerWaalsContact C-N 3.28Å; E197-R199 PolarHBondContact O-N 3.01Å; R199-K202 PolarHBondContact O-N 3.15Å; R199-R203 PolarHBondContact O-N 3.33Å |
| 200 | E | 96.5 | Very high | 96.6 | Very high | 32 Ų | 32 | 103.2 Ų | 103.2 | 15% | 0.15 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | -179.5 | -69.9 | -65.6 | 129.1 | 0 | 0 | 111.6 | E196 E197 K202 R203 L204 F277 | E196-E200 WeakPolarHBondContact O-CG 3.31Å; E196-E200 PolarHBondContact O-N 3.32Å; E197-E200 PolarHBondContact O-N 3.39Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.1Å; E200-R203 PolarHBondContact O-N 3.12Å; E200-R203 IonicContact OE1-CZ 3.59Å; E200-R203 IonicContact OE1-NH1 3.76Å; E200-R203 PolarHBondContact OE1-NH1 3.31Å; E200-R203 IonicContact OE2-CZ 3.79Å; E200-R203 IonicContact OE2-NH1 3.47Å; E200-R203 PolarHBondContact OE2-NH1 3.24Å; E200-R203 IonicContact OE2-NH2 3.23Å; E200-R203 PolarHBondContact OE2-NH2 3.01Å; E200-L204 PolarHBondContact O-N 2.89Å; E200-F277 HydrophobicContact CB-CD2 4.39Å; E200-F277 HydrophobicContact CG-CD2 3.67Å; E200-F277 HydrophobicContact CG-CE2 3.83Å; E200-F277 VanDerWaalsContact OE2-CD2 3.23Å; E200-F277 WeakPolarHBondContact OE2-CD2 3.07Å |
| 201 | L | 97.2 | Very high | 96.4 | Very high | 75 Ų | 75 | 98.8 Ų | 98.8 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 175.5 | -72 | 173.9 | 0 | 0 | 0 | 112.8 | E197 R205 | E197-L201 HydrophobicContact CG-CD1 3.99Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.46Å; E197-L201 PolarHBondContact O-N 2.82Å; L201-R205 WeakPolarHBondContact O-CG 3.5Å; L201-R205 PolarHBondContact O-N 3.24Å; L201-R205 VanDerWaalsContact O-N 3.11Å; L201-R205 PolarHBondContact O-NE 2.91Å; L201-R205 VanDerWaalsContact O-NE 3.16Å |
| 202 | K | 97.5 | Very high | 96.2 | Very high | 113 Ų | 113 | 94.6 Ų | 94.6 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 175.9 | 179.1 | 177.9 | 168.2 | 179.7 | 0 | 110.7 | Q198 R199 E200 L204 R205 E206 | Q198-K202 WeakPolarHBondContact O-CB 3.18Å; Q198-K202 PolarHBondContact O-N 2.92Å; R199-K202 PolarHBondContact O-N 3.15Å; E200-K202 VanDerWaalsContact C-N 3.34Å; E200-K202 PolarHBondContact O-N 3.1Å; K202-L204 VanDerWaalsContact C-N 3.29Å; K202-L204 PolarHBondContact O-N 2.89Å; K202-R205 PolarHBondContact O-N 3.49Å; K202-E206 WeakPolarHBondContact CE-OE1 3.4Å; K202-E206 IonicContact NZ-OE1 2.74Å; K202-E206 WeakPolarHBondContact O-CG 3.5Å; K202-E206 PolarHBondContact O-N 3.35Å |
| 203 | R | 95.2 | Very high | 96.1 | Very high | 77 Ų | 77 | 94.2 Ų | 94.2 | 29% | 0.291 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 176.5 | -173.3 | -174.1 | 75 | -134.7 | -8.2 | 111.2 | R199 E200 R205 E206 E207 | R199-R203 PolarHBondContact O-N 3.33Å; E200-R203 PolarHBondContact O-N 3.12Å; E200-R203 IonicContact OE1-CZ 3.59Å; E200-R203 IonicContact OE1-NH1 3.76Å; E200-R203 PolarHBondContact OE1-NH1 3.31Å; E200-R203 IonicContact OE2-CZ 3.79Å; E200-R203 IonicContact OE2-NH1 3.47Å; E200-R203 PolarHBondContact OE2-NH1 3.24Å; E200-R203 IonicContact OE2-NH2 3.23Å; E200-R203 PolarHBondContact OE2-NH2 3.01Å; R203-R205 PolarHBondContact O-N 3.22Å; R203-E206 PolarHBondContact O-N 3.03Å; R203-E207 PolarHBondContact O-N 2.98Å |
| 204 | L | 95.6 | Very high | 96 | Very high | 77 Ų | 77 | 92.9 Ų | 92.9 | 40% | 0.403 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.6 | -177 | 61.2 | 0 | 0 | 0 | 112.2 | E200 K202 E206 E207 E208 L273 | E200-L204 PolarHBondContact O-N 2.89Å; K202-L204 VanDerWaalsContact C-N 3.29Å; K202-L204 PolarHBondContact O-N 2.89Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.36Å; L204-E207 PolarHBondContact O-N 2.96Å; L204-E208 WeakPolarHBondContact O-CB 3.48Å; L204-E208 PolarHBondContact O-N 2.85Å; L204-L273 HydrophobicContact CD1-CD1 4.23Å; L204-L273 HydrophobicContact CD1-CD2 3.94Å |
| 205 | R | 96.5 | Very high | 95.9 | Very high | 130 Ų | 130 | 92.3 Ų | 92.3 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.9 | -79.8 | 179.5 | -82.5 | 136.6 | -12.6 | 112.8 | L201 K202 R203 Q209 | L201-R205 WeakPolarHBondContact O-CG 3.5Å; L201-R205 PolarHBondContact O-N 3.24Å; L201-R205 VanDerWaalsContact O-N 3.11Å; L201-R205 PolarHBondContact O-NE 2.91Å; L201-R205 VanDerWaalsContact O-NE 3.16Å; K202-R205 PolarHBondContact O-N 3.49Å; R203-R205 PolarHBondContact O-N 3.22Å; R205-Q209 WeakPolarHBondContact O-CB 3.39Å; R205-Q209 PolarHBondContact O-N 3.39Å |
| 206 | E | 95.4 | Very high | 95.8 | Very high | 108 Ų | 108 | 87.5 Ų | 87.5 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 177.4 | -71.6 | 171.4 | 168.1 | 0 | 0 | 111.6 | K202 R203 L204 M210 | K202-E206 WeakPolarHBondContact CE-OE1 3.4Å; K202-E206 IonicContact NZ-OE1 2.74Å; K202-E206 WeakPolarHBondContact O-CG 3.5Å; K202-E206 PolarHBondContact O-N 3.35Å; R203-E206 PolarHBondContact O-N 3.03Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.36Å; E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 PolarHBondContact O-N 2.96Å |
| 207 | E | 93.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 85.9 Ų | 85.9 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | 175.6 | -177 | 167.7 | -159.2 | 0 | 0 | 112.3 | R203 L204 M210 I211 L273 S274 | R203-E207 PolarHBondContact O-N 2.98Å; L204-E207 PolarHBondContact O-N 2.96Å; E207-M210 PolarHBondContact O-N 2.85Å; E207-I211 HydrophobicContact CG-CD1 4.1Å; E207-I211 WeakPolarHBondContact O-CG1 3.35Å; E207-I211 PolarHBondContact O-N 3.32Å; E207-L273 HydrophobicContact CG-CD2 4.33Å; E207-S274 WeakPolarHBondContact OE1-CA 3.4Å; E207-S274 WeakPolarHBondContact OE1-CB 3.46Å; E207-S274 PolarHBondContact OE1-N 3.49Å; E207-S274 PolarHBondContact OE1-OG 2.93Å; E207-S274 PolarHBondContact OE2-OG 3.41Å |
| 208 | E | 94.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 81.4 Ų | 81.4 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 173.7 | 177.8 | 176.4 | -146.3 | 0 | 0 | 111.2 | L204 M210 I211 L212 | L204-E208 WeakPolarHBondContact O-CB 3.48Å; L204-E208 PolarHBondContact O-N 2.85Å; E208-M210 VanDerWaalsContact C-N 3.34Å; E208-M210 PolarHBondContact O-N 2.95Å; E208-I211 PolarHBondContact O-N 3.42Å; E208-L212 HydrophobicContact CG-CD1 3.91Å; E208-L212 HydrophobicContact CG-CG 4.38Å; E208-L212 WeakPolarHBondContact O-CG 3.28Å; E208-L212 PolarHBondContact O-N 3.41Å |
| 209 | Q | 96.1 | Very high | 95.6 | Very high | 102 Ų | 102 | 83.1 Ų | 83.1 | 48% | 0.477 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 179.1 | -172.8 | 63.8 | 55.9 | 0 | 0 | 111.6 | R205 I211 L212 D213 | R205-Q209 WeakPolarHBondContact O-CB 3.39Å; R205-Q209 PolarHBondContact O-N 3.39Å; Q209-I211 VanDerWaalsContact C-N 3.31Å; Q209-I211 PolarHBondContact O-N 3.44Å; Q209-L212 PolarHBondContact O-N 2.94Å; Q209-D213 PolarHBondContact NE2-OD1 2.84Å; Q209-D213 WeakPolarHBondContact O-CB 3.42Å; Q209-D213 PolarHBondContact O-N 3.15Å |
| 210 | M | 94 | Very high | 95.6 | Very high | 132 Ų | 132 | 78.3 Ų | 78.3 | 65% | 0.65 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.4 | -41.5 | 177.8 | -174.6 | -167.4 | -51.5 | 0 | 0 | 112.2 | E206 E207 E208 S214 | E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 PolarHBondContact O-N 2.96Å; E207-M210 PolarHBondContact O-N 2.85Å; E208-M210 VanDerWaalsContact C-N 3.34Å; E208-M210 PolarHBondContact O-N 2.95Å; M210-S214 PolarHBondContact O-N 3.46Å |
| 211 | I | 93.9 | Very high | 95.6 | Very high | 46 Ų | 46 | 80.7 Ų | 80.7 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 177.6 | -69.5 | 170 | 0 | 0 | 0 | 110.4 | E207 E208 Q209 S214 L215 V269 | E207-I211 HydrophobicContact CG-CD1 4.1Å; E207-I211 WeakPolarHBondContact O-CG1 3.35Å; E207-I211 PolarHBondContact O-N 3.32Å; E208-I211 PolarHBondContact O-N 3.42Å; Q209-I211 VanDerWaalsContact C-N 3.31Å; Q209-I211 PolarHBondContact O-N 3.44Å; I211-S214 PolarHBondContact O-N 3.17Å; I211-L215 HydrophobicContact CG2-CD1 3.98Å; I211-L215 HydrophobicContact CG2-CG 4.43Å; I211-L215 WeakPolarHBondContact O-CG 3.44Å; I211-L215 PolarHBondContact O-N 3.46Å; I211-V269 HydrophobicContact CG1-CG1 4.5Å; I211-V269 HydrophobicContact CG2-CG1 4.08Å |
| 212 | L | 95 | Very high | 95.6 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 178.7 | -71.6 | 175.4 | 0 | 0 | 0 | 112 | E208 Q209 S214 L215 A216 | E208-L212 HydrophobicContact CG-CD1 3.91Å; E208-L212 HydrophobicContact CG-CG 4.38Å; E208-L212 WeakPolarHBondContact O-CG 3.28Å; E208-L212 PolarHBondContact O-N 3.41Å; Q209-L212 PolarHBondContact O-N 2.94Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.49Å; L212-L215 PolarHBondContact O-N 3.11Å; L212-A216 WeakPolarHBondContact O-CB 3.41Å; L212-A216 PolarHBondContact O-N 3.06Å |
| 213 | D | 95.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.5 | -68.8 | -19.3 | 0 | 0 | 0 | 111.3 | Q209 L215 G217 | Q209-D213 PolarHBondContact NE2-OD1 2.84Å; Q209-D213 WeakPolarHBondContact O-CB 3.42Å; Q209-D213 PolarHBondContact O-N 3.15Å; D213-L215 VanDerWaalsContact C-N 3.35Å; D213-G217 PolarHBondContact O-N 3.07Å |
| 214 | S | 94.5 | Very high | 95.7 | Very high | 61 Ų | 61 | 81.1 Ų | 81.1 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 112.7 | M210 I211 L212 A218 V269 | M210-S214 PolarHBondContact O-N 3.46Å; I211-S214 PolarHBondContact O-N 3.17Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.49Å; S214-A218 PolarHBondContact O-N 2.86Å; S214-V269 VanDerWaalsContact OG-CG2 3.24Å; S214-V269 WeakPolarHBondContact OG-CG2 3.21Å |
| 215 | L | 94.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 78.4 Ų | 78.4 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.5 | -44.9 | 176.5 | -71.5 | 172.5 | 0 | 0 | 0 | 111.2 | I211 L212 D213 G217 A218 E219 V269 | I211-L215 HydrophobicContact CG2-CD1 3.98Å; I211-L215 HydrophobicContact CG2-CG 4.43Å; I211-L215 WeakPolarHBondContact O-CG 3.44Å; I211-L215 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 3.11Å; D213-L215 VanDerWaalsContact C-N 3.35Å; L215-G217 VanDerWaalsContact C-N 3.27Å; L215-G217 PolarHBondContact O-N 3.08Å; L215-A218 WeakPolarHBondContact O-CB 3.47Å; L215-A218 PolarHBondContact O-N 3.43Å; L215-E219 WeakPolarHBondContact O-CG 3.24Å; L215-E219 PolarHBondContact O-N 3.38Å; L215-V269 HydrophobicContact CD2-CB 4.2Å; L215-V269 HydrophobicContact CD2-CG2 3.93Å; L215-V269 HydrophobicContact CG-CG2 4.39Å |
| 216 | A | 96.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 74.9 Ų | 74.9 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L212 E219 A220 | L212-A216 WeakPolarHBondContact O-CB 3.41Å; L212-A216 PolarHBondContact O-N 3.06Å; A216-E219 PolarHBondContact O-N 2.86Å; A216-A220 WeakPolarHBondContact O-CB 3.35Å; A216-A220 PolarHBondContact O-N 2.95Å |
| 217 | G | 96.2 | Very high | 95.8 | Very high | 45 Ų | 45 | 74.2 Ų | 74.2 | 46% | 0.464 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D213 L215 A220 E221 | D213-G217 PolarHBondContact O-N 3.07Å; L215-G217 VanDerWaalsContact C-N 3.27Å; L215-G217 PolarHBondContact O-N 3.08Å; G217-A220 PolarHBondContact O-N 3.44Å; G217-E221 PolarHBondContact O-N 3.28Å |
| 218 | A | 95.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 16% | 0.157 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S214 L215 E221 L222 P266 | S214-A218 PolarHBondContact O-N 2.86Å; L215-A218 WeakPolarHBondContact O-CB 3.47Å; L215-A218 PolarHBondContact O-N 3.43Å; A218-E221 PolarHBondContact O-N 3.43Å; A218-L222 WeakPolarHBondContact O-CG 3.2Å; A218-L222 PolarHBondContact O-N 3.31Å; A218-L222 VanDerWaalsContact O-N 3.08Å; A218-P266 HydrophobicContact CB-CB 3.68Å; A218-P266 HydrophobicContact CB-CG 4.22Å |
| 219 | E | 96.4 | Very high | 95.9 | Very high | 136 Ų | 136 | 73.1 Ų | 73.1 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 173.8 | -72.7 | 176.6 | 165.9 | 0 | 0 | 111.3 | L215 A216 E221 L222 A223 | L215-E219 WeakPolarHBondContact O-CG 3.24Å; L215-E219 PolarHBondContact O-N 3.38Å; A216-E219 PolarHBondContact O-N 2.86Å; E219-E221 PolarHBondContact O-N 2.96Å; E219-L222 PolarHBondContact O-N 2.84Å; E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 2.97Å |
| 220 | A | 97 | Very high | 95.9 | Very high | 48 Ų | 48 | 73 Ų | 73 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A216 G217 A223 Q224 | A216-A220 WeakPolarHBondContact O-CB 3.35Å; A216-A220 PolarHBondContact O-N 2.95Å; G217-A220 PolarHBondContact O-N 3.44Å; A220-A223 PolarHBondContact O-N 3.28Å; A220-Q224 WeakPolarHBondContact O-CG 3.29Å; A220-Q224 PolarHBondContact O-N 3.39Å |
| 221 | E | 96.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 71.5 Ų | 71.5 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 174.9 | -174.6 | -179.6 | -174.6 | 0 | 0 | 111.7 | G217 A218 E219 Q225 | G217-E221 PolarHBondContact O-N 3.28Å; A218-E221 PolarHBondContact O-N 3.43Å; E219-E221 PolarHBondContact O-N 2.96Å; E221-Q225 WeakPolarHBondContact O-CG 3.44Å; E221-Q225 PolarHBondContact O-N 3.01Å; E221-Q225 VanDerWaalsContact O-N 3.11Å |
| 222 | L | 97.2 | Very high | 95.9 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 40% | 0.403 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 175.9 | -74.3 | 173.7 | 0 | 0 | 0 | 112.4 | A218 E219 Q224 Q225 S226 L263 P266 | A218-L222 WeakPolarHBondContact O-CG 3.2Å; A218-L222 PolarHBondContact O-N 3.31Å; A218-L222 VanDerWaalsContact O-N 3.08Å; E219-L222 PolarHBondContact O-N 2.84Å; L222-Q224 PolarHBondContact O-N 3.19Å; L222-Q225 PolarHBondContact O-N 3.21Å; L222-S226 PolarHBondContact O-N 2.88Å; L222-L263 HydrophobicContact CD2-CD1 4.19Å; L222-P266 HydrophobicContact CD1-CG 3.96Å; L222-P266 HydrophobicContact CD2-CG 3.85Å; L222-P266 HydrophobicContact CG-CG 3.59Å |
| 223 | A | 97.5 | Very high | 95.9 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 51% | 0.512 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E219 A220 Q225 S226 Q227 | E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 2.97Å; A220-A223 PolarHBondContact O-N 3.28Å; A223-Q225 PolarHBondContact O-N 3.32Å; A223-S226 PolarHBondContact O-N 2.74Å; A223-Q227 PolarHBondContact O-N 3.38Å |
| 224 | Q | 97.1 | Very high | 95.9 | Very high | 136 Ų | 136 | 68.5 Ų | 68.5 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 174.6 | -71.4 | 175.6 | 13 | 0 | 0 | 112.2 | A220 L222 Q227 L228 | A220-Q224 WeakPolarHBondContact O-CG 3.29Å; A220-Q224 PolarHBondContact O-N 3.39Å; L222-Q224 PolarHBondContact O-N 3.19Å; Q224-Q227 PolarHBondContact O-N 3.49Å; Q224-L228 WeakPolarHBondContact O-CG 3.38Å; Q224-L228 PolarHBondContact O-N 2.99Å; Q224-L228 VanDerWaalsContact O-N 3.1Å |
| 225 | Q | 96.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 67.8 Ų | 67.8 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 175.6 | -73.8 | -176.2 | 77.5 | 0 | 0 | 112.3 | E221 L222 A223 L228 V229 W261 L263 K264 | E221-Q225 WeakPolarHBondContact O-CG 3.44Å; E221-Q225 PolarHBondContact O-N 3.01Å; E221-Q225 VanDerWaalsContact O-N 3.11Å; L222-Q225 PolarHBondContact O-N 3.21Å; A223-Q225 PolarHBondContact O-N 3.32Å; Q225-L228 PolarHBondContact O-N 3.48Å; Q225-V229 VanDerWaalsContact O-CG2 3.3Å; Q225-V229 WeakPolarHBondContact O-CG2 3.17Å; Q225-V229 PolarHBondContact O-N 3.09Å; Q225-V229 VanDerWaalsContact O-N 3.07Å; Q225-W261 HydrophobicContact CB-CZ2 4.4Å; Q225-L263 HydrophobicContact CB-CD1 4.37Å; Q225-K264 PolarHBondContact NE2-O 3.35Å; Q225-K264 PolarHBondContact OE1-O 3.26Å |
| 226 | S | 96.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 175.1 | -162.3 | 0 | 0 | 0 | 0 | 111 | L222 A223 L228 V229 E230 | L222-S226 PolarHBondContact O-N 2.88Å; A223-S226 PolarHBondContact O-N 2.74Å; S226-L228 PolarHBondContact O-N 3.07Å; S226-V229 WeakPolarHBondContact O-CB 3.5Å; S226-V229 PolarHBondContact O-N 3.07Å; S226-V229 VanDerWaalsContact O-N 3.11Å; S226-E230 WeakPolarHBondContact O-CG 3.26Å; S226-E230 PolarHBondContact O-N 3.44Å; S226-E230 PolarHBondContact OG-OE1 3.47Å |
| 227 | Q | 97.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 69.4 Ų | 69.4 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 178.7 | -176.8 | 61.7 | 37.1 | 0 | 0 | 112.1 | A223 Q224 V229 E230 E231 | A223-Q227 PolarHBondContact O-N 3.38Å; Q224-Q227 PolarHBondContact O-N 3.49Å; Q227-V229 VanDerWaalsContact C-N 3.28Å; Q227-V229 PolarHBondContact O-N 2.93Å; Q227-E230 PolarHBondContact O-N 3.38Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 2.82Å; Q227-E231 WeakPolarHBondContact O-CG 3.47Å; Q227-E231 PolarHBondContact O-N 3.05Å |
| 228 | L | 94.7 | Very high | 95.3 | Very high | 76 Ų | 76 | 72.3 Ų | 72.3 | 40% | 0.398 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | 177 | -71.7 | 172.4 | 0 | 0 | 0 | 112.6 | Q224 Q225 S226 L232 | Q224-L228 WeakPolarHBondContact O-CG 3.38Å; Q224-L228 PolarHBondContact O-N 2.99Å; Q224-L228 VanDerWaalsContact O-N 3.1Å; Q225-L228 PolarHBondContact O-N 3.48Å; S226-L228 PolarHBondContact O-N 3.07Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 PolarHBondContact O-N 3.01Å; L228-L232 VanDerWaalsContact O-N 3.1Å |
| 229 | V | 95.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 72.9 Ų | 72.9 | 22% | 0.218 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.7 | -42.9 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | Q225 S226 Q227 E231 L232 I233 W261 | Q225-V229 VanDerWaalsContact O-CG2 3.3Å; Q225-V229 WeakPolarHBondContact O-CG2 3.17Å; Q225-V229 PolarHBondContact O-N 3.09Å; Q225-V229 VanDerWaalsContact O-N 3.07Å; S226-V229 WeakPolarHBondContact O-CB 3.5Å; S226-V229 PolarHBondContact O-N 3.07Å; S226-V229 VanDerWaalsContact O-N 3.11Å; Q227-V229 VanDerWaalsContact C-N 3.28Å; Q227-V229 PolarHBondContact O-N 2.93Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.25Å; V229-L232 PolarHBondContact O-N 3.11Å; V229-I233 HydrophobicContact CG1-CD1 3.66Å; V229-I233 HydrophobicContact CG1-CG1 4.21Å; V229-I233 WeakPolarHBondContact O-CB 3.17Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 3.06Å; V229-W261 HydrophobicContact CG2-CD2 4.1Å; V229-W261 HydrophobicContact CG2-CE3 3.93Å; V229-W261 HydrophobicContact CG2-CH2 3.03Å; V229-W261 HydrophobicContact CG2-CZ2 3.18Å; V229-W261 HydrophobicContact CG2-CZ3 3.41Å; V229-W261 VanDerWaalsContact CG2-CZ3 3.41Å |
| 230 | E | 96.3 | Very high | 94.8 | Very high | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 177.1 | -74.8 | 168.8 | -147.8 | 0 | 0 | 111.5 | S226 Q227 I233 S234 | S226-E230 WeakPolarHBondContact O-CG 3.26Å; S226-E230 PolarHBondContact O-N 3.44Å; S226-E230 PolarHBondContact OG-OE1 3.47Å; Q227-E230 PolarHBondContact O-N 3.38Å; E230-I233 PolarHBondContact O-N 3Å; E230-S234 WeakPolarHBondContact O-CB 3.27Å; E230-S234 PolarHBondContact O-N 2.82Å; E230-S234 PolarHBondContact O-OG 3.23Å |
| 231 | E | 94.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 79 Ų | 79 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.7 | -74.3 | 170.2 | -165.7 | 0 | 0 | 111.8 | Q227 V229 S234 D235 | Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 2.82Å; Q227-E231 WeakPolarHBondContact O-CG 3.47Å; Q227-E231 PolarHBondContact O-N 3.05Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.25Å; E231-S234 PolarHBondContact O-N 3.36Å; E231-D235 WeakPolarHBondContact O-CB 3.23Å; E231-D235 PolarHBondContact O-N 3.36Å |
| 232 | L | 93.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 78.7 Ų | 78.7 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.4 | 178.6 | 58.6 | 0 | 0 | 0 | 112.3 | L228 V229 L236 I254 W257 W261 | L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 PolarHBondContact O-N 3.01Å; L228-L232 VanDerWaalsContact O-N 3.1Å; V229-L232 PolarHBondContact O-N 3.11Å; L232-L236 HydrophobicContact CD1-CD1 4.32Å; L232-L236 HydrophobicContact CD1-CG 4.37Å; L232-L236 HydrophobicContact CG-CD1 4.31Å; L232-L236 WeakPolarHBondContact O-CB 3.43Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.49Å; L232-L236 PolarHBondContact O-N 2.8Å; L232-I254 HydrophobicContact CD1-CD1 3.39Å; L232-I254 HydrophobicContact CD1-CG1 3.9Å; L232-W257 HydrophobicContact CD1-CE3 4.08Å; L232-W257 HydrophobicContact CD2-CE3 4.13Å; L232-W257 HydrophobicContact CD2-CZ3 4.44Å; L232-W261 HydrophobicContact CD2-CB 4.39Å |
| 233 | I | 94.5 | Very high | 94.1 | Very high | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.415 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 174.7 | -71.4 | 169.2 | 0 | 0 | 0 | 109.6 | V229 E230 D235 L236 E237 | V229-I233 HydrophobicContact CG1-CD1 3.66Å; V229-I233 HydrophobicContact CG1-CG1 4.21Å; V229-I233 WeakPolarHBondContact O-CB 3.17Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 3.06Å; E230-I233 PolarHBondContact O-N 3Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.49Å; I233-L236 PolarHBondContact O-N 3.15Å; I233-E237 HydrophobicContact CG2-CG 4.28Å; I233-E237 WeakPolarHBondContact O-CG 3.41Å; I233-E237 PolarHBondContact O-N 3.36Å |
| 234 | S | 95 | Very high | 93.8 | Very high | 67 Ų | 67 | 81.2 Ų | 81.2 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | E230 E231 E237 L238 | E230-S234 WeakPolarHBondContact O-CB 3.27Å; E230-S234 PolarHBondContact O-N 2.82Å; E230-S234 PolarHBondContact O-OG 3.23Å; E231-S234 PolarHBondContact O-N 3.36Å; S234-E237 PolarHBondContact O-N 2.7Å; S234-L238 WeakPolarHBondContact O-CB 3.5Å; S234-L238 PolarHBondContact O-N 3.07Å |
| 235 | D | 92.7 | Very high | 93.5 | Very high | 47 Ų | 47 | 79.1 Ų | 79.1 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 176.7 | -170.5 | 61.8 | 0 | 0 | 0 | 111.7 | E231 I233 L238 R239 I254 | E231-D235 WeakPolarHBondContact O-CB 3.23Å; E231-D235 PolarHBondContact O-N 3.36Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.49Å; D235-L238 PolarHBondContact O-N 3.18Å; D235-R239 VanDerWaalsContact CG-NE 3.35Å; D235-R239 WeakPolarHBondContact O-CB 3.33Å; D235-R239 WeakPolarHBondContact O-CG 3.45Å; D235-R239 PolarHBondContact O-N 3.43Å; D235-R239 IonicContact OD1-CZ 4Å; D235-R239 IonicContact OD1-NE 3.36Å; D235-R239 PolarHBondContact OD1-NE 3.41Å; D235-R239 IonicContact OD1-NH2 2.88Å; D235-R239 IonicContact OD2-CZ 3.57Å; D235-R239 IonicContact OD2-NE 2.77Å; D235-R239 PolarHBondContact OD2-NE 3.12Å; D235-R239 IonicContact OD2-NH2 3.93Å; D235-I254 VanDerWaalsContact OD2-CD1 3.24Å; D235-I254 WeakPolarHBondContact OD2-CD1 3.28Å; D235-I254 WeakPolarHBondContact OD2-CG1 3.41Å |
| 236 | L | 92 | Very high | 93.1 | Very high | 49 Ų | 49 | 83 Ų | 83 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.4 | -71.2 | 173.2 | 0 | 0 | 0 | 112.6 | L232 I233 R240 M251 I254 | L232-L236 HydrophobicContact CD1-CD1 4.32Å; L232-L236 HydrophobicContact CD1-CG 4.37Å; L232-L236 HydrophobicContact CG-CD1 4.31Å; L232-L236 WeakPolarHBondContact O-CB 3.43Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.49Å; L232-L236 PolarHBondContact O-N 2.8Å; I233-L236 PolarHBondContact O-N 3.15Å; L236-R240 PolarHBondContact O-N 2.81Å; L236-M251 HydrophobicContact CD2-CE 3.97Å; L236-I254 HydrophobicContact CD2-CG1 3.9Å; L236-I254 HydrophobicContact CD2-CG2 4.19Å; L236-I254 HydrophobicContact CG-CG1 4.42Å |
| 237 | E | 94 | Very high | 92.7 | Very high | 110 Ų | 110 | 83 Ų | 83 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.1 | -74.6 | -177.8 | 156.2 | 0 | 0 | 111.6 | I233 S234 R240 | I233-E237 HydrophobicContact CG2-CG 4.28Å; I233-E237 WeakPolarHBondContact O-CG 3.41Å; I233-E237 PolarHBondContact O-N 3.36Å; S234-E237 PolarHBondContact O-N 2.7Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.28Å |
| 238 | L | 92.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 85.8 Ų | 85.8 | 55% | 0.55 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.7 | 179 | 63.9 | 0 | 0 | 0 | 111.6 | S234 D235 R240 E241 | S234-L238 WeakPolarHBondContact O-CB 3.5Å; S234-L238 PolarHBondContact O-N 3.07Å; D235-L238 PolarHBondContact O-N 3.18Å; L238-R240 PolarHBondContact O-N 3.45Å; L238-E241 PolarHBondContact O-N 3.24Å; L238-E241 VanDerWaalsContact O-N 3.12Å |
| 239 | R | 91.2 | Very high | 91.9 | Very high | 31 Ų | 31 | 89.3 Ų | 89.3 | 12% | 0.117 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.9 | -25.2 | 179.6 | -71.6 | 171.2 | -174 | -90 | -0.7 | 113.2 | D235 E241 W242 D250 | D235-R239 VanDerWaalsContact CG-NE 3.35Å; D235-R239 WeakPolarHBondContact O-CB 3.33Å; D235-R239 WeakPolarHBondContact O-CG 3.45Å; D235-R239 PolarHBondContact O-N 3.43Å; D235-R239 IonicContact OD1-CZ 4Å; D235-R239 IonicContact OD1-NE 3.36Å; D235-R239 PolarHBondContact OD1-NE 3.41Å; D235-R239 IonicContact OD1-NH2 2.88Å; D235-R239 IonicContact OD2-CZ 3.57Å; D235-R239 IonicContact OD2-NE 2.77Å; D235-R239 PolarHBondContact OD2-NE 3.12Å; D235-R239 IonicContact OD2-NH2 3.93Å; R239-E241 PolarHBondContact O-N 3.31Å; R239-W242 HydrophobicContact CB-CD2 4.2Å; R239-W242 HydrophobicContact CB-CE3 4.38Å; R239-W242 HydrophobicContact CG-CD2 3.93Å; R239-W242 HydrophobicContact CG-CE3 3.99Å; R239-W242 HydrophobicContact CG-CH2 3.74Å; R239-W242 HydrophobicContact CG-CZ2 3.63Å; R239-W242 HydrophobicContact CG-CZ3 3.9Å; R239-W242 WeakPolarHBondContact O-CB 3.4Å; R239-W242 PolarHBondContact O-N 3.2Å; R239-D250 IonicContact CZ-OD2 3.43Å; R239-D250 PolarHBondContact NH1-O 3.21Å; R239-D250 IonicContact NH1-OD2 2.71Å; R239-D250 PolarHBondContact NH1-OD2 3.46Å; R239-D250 IonicContact NH2-OD2 3.59Å; R239-D250 PolarHBondContact NH2-OD2 3.48Å |
| 240 | R | 89.2 | Confident | 91.4 | Very high | 178 Ų | 178 | 91.7 Ų | 91.7 | 67% | 0.672 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.8 | -28.8 | 173.4 | -167 | -173.4 | 72.8 | -159.9 | -1 | 112.3 | L236 E237 L238 | L236-R240 PolarHBondContact O-N 2.81Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.28Å; L238-R240 PolarHBondContact O-N 3.45Å |
| 241 | E | 92.9 | Very high | 90.9 | Very high | 134 Ų | 134 | 88.9 Ų | 88.9 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 3.4 | -178.6 | -52.9 | -60.5 | 142.3 | 0 | 0 | 113.1 | L238 R239 | L238-E241 PolarHBondContact O-N 3.24Å; L238-E241 VanDerWaalsContact O-N 3.12Å; R239-E241 PolarHBondContact O-N 3.31Å |
| 242 | W | 91.5 | Very high | 90.4 | Very high | 77 Ų | 77 | 88.9 Ų | 88.9 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -73.5 | 162.4 | 178.6 | -71.6 | 5.4 | 0 | 0 | 0 | 112.8 | R239 E246 D250 | R239-W242 HydrophobicContact CB-CD2 4.2Å; R239-W242 HydrophobicContact CB-CE3 4.38Å; R239-W242 HydrophobicContact CG-CD2 3.93Å; R239-W242 HydrophobicContact CG-CE3 3.99Å; R239-W242 HydrophobicContact CG-CH2 3.74Å; R239-W242 HydrophobicContact CG-CZ2 3.63Å; R239-W242 HydrophobicContact CG-CZ3 3.9Å; R239-W242 WeakPolarHBondContact O-CB 3.4Å; R239-W242 PolarHBondContact O-N 3.2Å; W242-E246 HydrophobicContact CB-CB 4.28Å; W242-E246 HydrophobicContact CD2-CB 4.44Å; W242-E246 HydrophobicContact CE3-CB 3.98Å; W242-D250 HydrophobicContact CZ3-CB 4.17Å |
| 243 | S | 92.5 | Very high | 90.1 | Very high | 58 Ų | 58 | 90.3 Ų | 90.3 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | trans | -68.9 | 151.9 | 170.8 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | T245 E246 L247 | S243-T245 PolarHBondContact O-N 2.79Å; S243-E246 WeakPolarHBondContact CB-OE2 3.49Å; S243-E246 PolarHBondContact N-OE2 3.15Å; S243-E246 VanDerWaalsContact N-OE2 3.12Å; S243-E246 PolarHBondContact O-N 2.73Å; S243-E246 VanDerWaalsContact O-N 3.09Å; S243-E246 WeakPolarHBondContact OG-CG 3.22Å; S243-E246 PolarHBondContact OG-OE2 3.13Å; S243-L247 PolarHBondContact O-N 3.2Å | ||
| 244 | D | 90.7 | Very high | 89.8 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 71% | 0.711 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -51.4 | -35.2 | 180 | -67.2 | -14.1 | 0 | 0 | 0 | 113 | L248 | D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 VanDerWaalsContact O-CG 3.26Å; D244-L248 WeakPolarHBondContact O-CG 3.38Å; D244-L248 PolarHBondContact O-N 2.85Å; D244-L248 VanDerWaalsContact O-N 3.13Å |
| 245 | T | 90.8 | Very high | 89.5 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 56% | 0.564 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -71.6 | -46 | -178.7 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | S243 L248 Q249 | S243-T245 PolarHBondContact O-N 2.79Å; T245-L248 PolarHBondContact O-N 3.02Å; T245-Q249 WeakPolarHBondContact O-CG 3.2Å; T245-Q249 PolarHBondContact O-N 3.21Å |
| 246 | E | 87.8 | Confident | 89.4 | Confident | 102 Ų | 102 | 92 Ų | 92 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 178.5 | -69.1 | 163.3 | 143.8 | 0 | 0 | 111 | W242 S243 L248 Q249 D250 | W242-E246 HydrophobicContact CB-CB 4.28Å; W242-E246 HydrophobicContact CD2-CB 4.44Å; W242-E246 HydrophobicContact CE3-CB 3.98Å; S243-E246 WeakPolarHBondContact CB-OE2 3.49Å; S243-E246 PolarHBondContact N-OE2 3.15Å; S243-E246 VanDerWaalsContact N-OE2 3.12Å; S243-E246 PolarHBondContact O-N 2.73Å; S243-E246 VanDerWaalsContact O-N 3.09Å; S243-E246 WeakPolarHBondContact OG-CG 3.22Å; S243-E246 PolarHBondContact OG-OE2 3.13Å; E246-L248 PolarHBondContact O-N 3.49Å; E246-Q249 PolarHBondContact O-N 2.98Å; E246-D250 PolarHBondContact O-N 2.98Å |
| 247 | L | 87.6 | Confident | 89.2 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 29% | 0.288 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 176.9 | -174.1 | 68.1 | 0 | 0 | 0 | 110.9 | S243 Q249 D250 M251 | S243-L247 PolarHBondContact O-N 3.2Å; L247-Q249 PolarHBondContact O-N 3.01Å; L247-D250 PolarHBondContact O-N 2.98Å; L247-M251 HydrophobicContact CD1-CB 4.18Å; L247-M251 HydrophobicContact CD1-CE 4.45Å; L247-M251 HydrophobicContact CD1-CG 4.03Å; L247-M251 HydrophobicContact CD1-SD 3.62Å; L247-M251 WeakPolarHBondContact O-CB 3.31Å; L247-M251 PolarHBondContact O-N 3.25Å; L247-M251 VanDerWaalsContact O-N 3.12Å |
| 248 | L | 86.4 | Confident | 89 | Confident | 154 Ų | 154 | 92.8 Ų | 92.8 | 81% | 0.806 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.9 | -25.4 | -179.4 | -72 | 174.2 | 0 | 0 | 0 | 113.6 | D244 T245 E246 | D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 VanDerWaalsContact O-CG 3.26Å; D244-L248 WeakPolarHBondContact O-CG 3.38Å; D244-L248 PolarHBondContact O-N 2.85Å; D244-L248 VanDerWaalsContact O-N 3.13Å; T245-L248 PolarHBondContact O-N 3.02Å; E246-L248 PolarHBondContact O-N 3.49Å |
| 249 | Q | 88.8 | Confident | 89 | Confident | 150 Ų | 150 | 95 Ų | 95 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -79 | -34.9 | -179.8 | -74.9 | 178.1 | -2.2 | 0 | 0 | 113.6 | T245 E246 L247 | T245-Q249 WeakPolarHBondContact O-CG 3.2Å; T245-Q249 PolarHBondContact O-N 3.21Å; E246-Q249 PolarHBondContact O-N 2.98Å; L247-Q249 PolarHBondContact O-N 3.01Å |
| 250 | D | 85.3 | Confident | 89 | Confident | 85 Ų | 85 | 98.8 Ų | 98.8 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -125.7 | 6.7 | -168.6 | -164.6 | 39.5 | 0 | 0 | 0 | 115.4 | R239 W242 E246 L247 S252 | R239-D250 IonicContact CZ-OD2 3.43Å; R239-D250 PolarHBondContact NH1-O 3.21Å; R239-D250 IonicContact NH1-OD2 2.71Å; R239-D250 PolarHBondContact NH1-OD2 3.46Å; R239-D250 IonicContact NH2-OD2 3.59Å; R239-D250 PolarHBondContact NH2-OD2 3.48Å; W242-D250 HydrophobicContact CZ3-CB 4.17Å; E246-D250 PolarHBondContact O-N 2.98Å; L247-D250 PolarHBondContact O-N 2.98Å; D250-S252 PolarHBondContact O-N 2.91Å |
| 251 | M | 85.3 | Confident | 89.2 | Confident | 40 Ų | 40 | 93.6 Ų | 93.6 | 20% | 0.197 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -77.6 | -21.3 | -175.6 | -166.7 | 64 | 177.6 | 0 | 0 | 115 | L236 L247 G253 I254 L255 | L236-M251 HydrophobicContact CD2-CE 3.97Å; L247-M251 HydrophobicContact CD1-CB 4.18Å; L247-M251 HydrophobicContact CD1-CE 4.45Å; L247-M251 HydrophobicContact CD1-CG 4.03Å; L247-M251 HydrophobicContact CD1-SD 3.62Å; L247-M251 WeakPolarHBondContact O-CB 3.31Å; L247-M251 PolarHBondContact O-N 3.25Å; L247-M251 VanDerWaalsContact O-N 3.12Å; M251-G253 PolarHBondContact O-N 3.17Å; M251-I254 HydrophobicContact CE-CG2 4.3Å; M251-I254 WeakPolarHBondContact O-CG2 3.45Å; M251-I254 HydrophobicContact SD-CG2 3.66Å; M251-L255 HydrophobicContact CB-CD1 4.49Å; M251-L255 HydrophobicContact CE-CD1 4.02Å; M251-L255 HydrophobicContact CE-CD2 3.47Å; M251-L255 VanDerWaalsContact CE-CD2 3.47Å; M251-L255 HydrophobicContact CE-CG 3.48Å; M251-L255 VanDerWaalsContact CE-CG 3.48Å; M251-L255 HydrophobicContact CG-CD1 3.41Å; M251-L255 VanDerWaalsContact CG-CD1 3.41Å; M251-L255 HydrophobicContact CG-CG 3.63Å; M251-L255 WeakPolarHBondContact O-CB 3.43Å; M251-L255 PolarHBondContact O-N 3.29Å; M251-L255 VanDerWaalsContact O-N 3.13Å; M251-L255 HydrophobicContact SD-CD1 4.47Å; M251-L255 HydrophobicContact SD-CG 4.12Å |
| 252 | S | 85.1 | Confident | 89.2 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 71% | 0.706 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | -168.8 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | D250 K256 | D250-S252 PolarHBondContact O-N 2.91Å; S252-K256 WeakPolarHBondContact O-CB 3.22Å; S252-K256 PolarHBondContact O-N 3.19Å |
| 253 | G | 87.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 93.8 Ų | 93.8 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.7 | -49.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M251 K256 W257 | M251-G253 PolarHBondContact O-N 3.17Å; G253-K256 PolarHBondContact O-N 2.96Å; G253-W257 PolarHBondContact O-N 3.44Å |
| 254 | I | 87 | Confident | 89.3 | Confident | 26 Ų | 26 | 98 Ų | 98 | 13% | 0.133 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69.6 | -39.2 | -176.1 | -163.8 | 69.9 | 0 | 0 | 0 | 112.2 | L232 D235 L236 M251 K256 W257 S258 | L232-I254 HydrophobicContact CD1-CD1 3.39Å; L232-I254 HydrophobicContact CD1-CG1 3.9Å; D235-I254 VanDerWaalsContact OD2-CD1 3.24Å; D235-I254 WeakPolarHBondContact OD2-CD1 3.28Å; D235-I254 WeakPolarHBondContact OD2-CG1 3.41Å; L236-I254 HydrophobicContact CD2-CG1 3.9Å; L236-I254 HydrophobicContact CD2-CG2 4.19Å; L236-I254 HydrophobicContact CG-CG1 4.42Å; M251-I254 HydrophobicContact CE-CG2 4.3Å; M251-I254 WeakPolarHBondContact O-CG2 3.45Å; M251-I254 HydrophobicContact SD-CG2 3.66Å; I254-K256 VanDerWaalsContact C-N 3.33Å; I254-K256 PolarHBondContact O-N 3.28Å; I254-W257 PolarHBondContact O-N 3.47Å; I254-S258 WeakPolarHBondContact O-CB 3.46Å; I254-S258 PolarHBondContact O-N 3.43Å; I254-S258 PolarHBondContact O-OG 3.38Å |
| 255 | L | 88.3 | Confident | 89.4 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 37% | 0.366 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.3 | -82.6 | 178 | 0 | 0 | 0 | 111.8 | M251 W257 S258 Q259 | M251-L255 HydrophobicContact CB-CD1 4.49Å; M251-L255 HydrophobicContact CE-CD1 4.02Å; M251-L255 HydrophobicContact CE-CD2 3.47Å; M251-L255 VanDerWaalsContact CE-CD2 3.47Å; M251-L255 HydrophobicContact CE-CG 3.48Å; M251-L255 VanDerWaalsContact CE-CG 3.48Å; M251-L255 HydrophobicContact CG-CD1 3.41Å; M251-L255 VanDerWaalsContact CG-CD1 3.41Å; M251-L255 HydrophobicContact CG-CG 3.63Å; M251-L255 WeakPolarHBondContact O-CB 3.43Å; M251-L255 PolarHBondContact O-N 3.29Å; M251-L255 VanDerWaalsContact O-N 3.13Å; M251-L255 HydrophobicContact SD-CD1 4.47Å; M251-L255 HydrophobicContact SD-CG 4.12Å; L255-W257 VanDerWaalsContact C-N 3.31Å; L255-W257 PolarHBondContact O-N 2.99Å; L255-S258 WeakPolarHBondContact CA-OG 3.33Å; L255-S258 PolarHBondContact O-N 2.73Å; L255-S258 PolarHBondContact O-OG 2.81Å; L255-Q259 WeakPolarHBondContact O-CB 3.46Å; L255-Q259 WeakPolarHBondContact O-CG 3.5Å; L255-Q259 PolarHBondContact O-N 3.02Å |
| 256 | K | 91 | Very high | 89.5 | Confident | 136 Ų | 136 | 97.2 Ų | 97.2 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 176.6 | -176.1 | 177.5 | -180 | -178.3 | 0 | 110.7 | S252 G253 I254 Q259 I260 | S252-K256 WeakPolarHBondContact O-CB 3.22Å; S252-K256 PolarHBondContact O-N 3.19Å; G253-K256 PolarHBondContact O-N 2.96Å; I254-K256 VanDerWaalsContact C-N 3.33Å; I254-K256 PolarHBondContact O-N 3.28Å; K256-Q259 PolarHBondContact O-N 2.74Å; K256-I260 HydrophobicContact CD-CD1 4.48Å; K256-I260 HydrophobicContact CG-CD1 3.72Å; K256-I260 WeakPolarHBondContact O-CB 3.23Å; K256-I260 WeakPolarHBondContact O-CD1 3.31Å; K256-I260 WeakPolarHBondContact O-CG1 3.44Å; K256-I260 PolarHBondContact O-N 3.49Å; K256-I260 VanDerWaalsContact O-N 3.13Å |
| 257 | W | 88.7 | Confident | 89.5 | Confident | 137 Ų | 137 | 101.8 Ų | 101.8 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 178.6 | -144.8 | 64.6 | 0 | 0 | 0 | 111.7 | L232 G253 I254 L255 Q259 I260 W261 | L232-W257 HydrophobicContact CD1-CE3 4.08Å; L232-W257 HydrophobicContact CD2-CE3 4.13Å; L232-W257 HydrophobicContact CD2-CZ3 4.44Å; G253-W257 PolarHBondContact O-N 3.44Å; I254-W257 PolarHBondContact O-N 3.47Å; L255-W257 VanDerWaalsContact C-N 3.31Å; L255-W257 PolarHBondContact O-N 2.99Å; W257-Q259 PolarHBondContact O-N 2.94Å; W257-I260 PolarHBondContact O-N 2.79Å; W257-W261 WeakPolarHBondContact O-CB 3.41Å; W257-W261 PolarHBondContact O-N 3.43Å |
| 258 | S | 89.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 103.8 Ų | 103.8 | 27% | 0.266 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -32.4 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | I254 L255 | I254-S258 WeakPolarHBondContact O-CB 3.46Å; I254-S258 PolarHBondContact O-N 3.43Å; I254-S258 PolarHBondContact O-OG 3.38Å; L255-S258 WeakPolarHBondContact CA-OG 3.33Å; L255-S258 PolarHBondContact O-N 2.73Å; L255-S258 PolarHBondContact O-OG 2.81Å |
| 259 | Q | 91.4 | Very high | 89.4 | Confident | 152 Ų | 152 | 98.3 Ų | 98.3 | 71% | 0.71 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.6 | -30.9 | 173.7 | -73.5 | 170.9 | 7.8 | 0 | 0 | 113.1 | L255 K256 W257 | L255-Q259 WeakPolarHBondContact O-CB 3.46Å; L255-Q259 WeakPolarHBondContact O-CG 3.5Å; L255-Q259 PolarHBondContact O-N 3.02Å; K256-Q259 PolarHBondContact O-N 2.74Å; W257-Q259 PolarHBondContact O-N 2.94Å |
| 260 | I | 92.6 | Very high | 89.1 | Confident | 109 Ų | 109 | 95.1 Ų | 95.1 | 56% | 0.559 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -87.2 | -34.1 | -177.7 | -67.8 | 168.6 | 0 | 0 | 0 | 111.5 | K256 W257 T262 | K256-I260 HydrophobicContact CD-CD1 4.48Å; K256-I260 HydrophobicContact CG-CD1 3.72Å; K256-I260 WeakPolarHBondContact O-CB 3.23Å; K256-I260 WeakPolarHBondContact O-CD1 3.31Å; K256-I260 WeakPolarHBondContact O-CG1 3.44Å; K256-I260 PolarHBondContact O-N 3.49Å; K256-I260 VanDerWaalsContact O-N 3.13Å; W257-I260 PolarHBondContact O-N 2.79Å; I260-T262 PolarHBondContact O-N 3.11Å |
| 261 | W | 92.1 | Very high | 88.9 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 27% | 0.265 | 53% | 0.525 | S | S | . | . | trans | -62.2 | 130.3 | -173.6 | -169.1 | 100 | 0 | 0 | 0 | 111.1 | Q225 V229 L232 W257 L263 | Q225-W261 HydrophobicContact CB-CZ2 4.4Å; V229-W261 HydrophobicContact CG2-CD2 4.1Å; V229-W261 HydrophobicContact CG2-CE3 3.93Å; V229-W261 HydrophobicContact CG2-CH2 3.03Å; V229-W261 HydrophobicContact CG2-CZ2 3.18Å; V229-W261 HydrophobicContact CG2-CZ3 3.41Å; V229-W261 VanDerWaalsContact CG2-CZ3 3.41Å; L232-W261 HydrophobicContact CD2-CB 4.39Å; W257-W261 WeakPolarHBondContact O-CB 3.41Å; W257-W261 PolarHBondContact O-N 3.43Å; W261-L263 HydrophobicContact CH2-CB 3.97Å; W261-L263 HydrophobicContact CH2-CD1 4.25Å; W261-L263 HydrophobicContact CZ3-CB 4.23Å | ||
| 262 | T | 93 | Very high | 89 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | trans | -142.9 | 141.9 | 178 | 45.7 | 0 | 0 | 0 | 0 | 110.1 | I260 K264 | I260-T262 PolarHBondContact O-N 3.11Å; T262-K264 PolarHBondContact O-N 3.31Å | ||
| 263 | L | 93.9 | Very high | 89 | Confident | 117 Ų | 117 | 106.8 Ų | 106.8 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 124.2 | 178.2 | 179.1 | 69.5 | 0 | 0 | 0 | 110.4 | L222 Q225 W261 | L222-L263 HydrophobicContact CD2-CD1 4.19Å; Q225-L263 HydrophobicContact CB-CD1 4.37Å; W261-L263 HydrophobicContact CH2-CB 3.97Å; W261-L263 HydrophobicContact CH2-CD1 4.25Å; W261-L263 HydrophobicContact CZ3-CB 4.23Å |
| 264 | K | 93.1 | Very high | 88.9 | Confident | 146 Ų | 146 | 108.9 Ų | 108.9 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -92 | 116.7 | 172.8 | -65.2 | -178.8 | -177 | 173.8 | 0 | 109.2 | Q225 T262 P266 | Q225-K264 PolarHBondContact NE2-O 3.35Å; Q225-K264 PolarHBondContact OE1-O 3.26Å; T262-K264 PolarHBondContact O-N 3.31Å; K264-P266 WeakPolarHBondContact O-CD 3.37Å |
| 265 | K | 92.8 | Very high | 88.7 | Confident | 189 Ų | 189 | 113.4 Ų | 113.4 | 82% | 0.822 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 125.9 | 175.1 | -173.5 | 177.4 | 179.7 | 176.1 | 0 | 109.9 | ||
| 266 | P | 91.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 115.4 Ų | 115.4 | 13% | 0.13 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -59.2 | 158.5 | 173.7 | -23.5 | 32.3 | 0 | 0 | 0 | 112.3 | A218 L222 K264 A268 | A218-P266 HydrophobicContact CB-CB 3.68Å; A218-P266 HydrophobicContact CB-CG 4.22Å; L222-P266 HydrophobicContact CD1-CG 3.96Å; L222-P266 HydrophobicContact CD2-CG 3.85Å; L222-P266 HydrophobicContact CG-CG 3.59Å; K264-P266 WeakPolarHBondContact O-CD 3.37Å; P266-A268 PolarHBondContact O-N 3.45Å |
| 267 | K | 89 | Confident | 88.8 | Confident | 198 Ų | 198 | 114.5 Ų | 114.5 | 86% | 0.861 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135.4 | 176.8 | -68.9 | 179.7 | -178.6 | 174 | 0 | 110.4 | V269 | K267-V269 PolarHBondContact O-N 3.03Š|
| 268 | A | 86.1 | Confident | 88.9 | Confident | 98 Ų | 98 | 116 Ų | 116 | 81% | 0.81 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 126.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P266 | P266-A268 PolarHBondContact O-N 3.45Š|
| 269 | V | 84.7 | Confident | 89 | Confident | 38 Ų | 38 | 118 Ų | 118 | 23% | 0.23 | 61% | 0.609 | C | S | . | * | P | Polyproline II helix | trans | -85.3 | 137.6 | 169.7 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | I211 S214 L215 K267 K271 | I211-V269 HydrophobicContact CG1-CG1 4.5Å; I211-V269 HydrophobicContact CG2-CG1 4.08Å; S214-V269 VanDerWaalsContact OG-CG2 3.24Å; S214-V269 WeakPolarHBondContact OG-CG2 3.21Å; L215-V269 HydrophobicContact CD2-CB 4.2Å; L215-V269 HydrophobicContact CD2-CG2 3.93Å; L215-V269 HydrophobicContact CG-CG2 4.39Å; K267-V269 PolarHBondContact O-N 3.03Å; V269-K271 PolarHBondContact O-N 3.17Å |
| 270 | S | 82.9 | Confident | 89 | Confident | 83 Ų | 83 | 114.2 Ų | 114.2 | 58% | 0.58 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.8 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | K272 | S270-K272 VanDerWaalsContact C-N 3.26Å; S270-K272 PolarHBondContact O-N 3.24Å; S270-K272 PolarHBondContact OG-N 2.71Å; S270-K272 PolarHBondContact OG-O 2.84Å |
| 271 | K | 82 | Confident | 89.1 | Confident | 218 Ų | 218 | 114 Ų | 114 | 95% | 0.948 | 60% | 0.598 | S | S | * | * | trans | -83.8 | -0.3 | 177.2 | -61.8 | -174.9 | 179.4 | -174.6 | 0 | 113.4 | V269 | V269-K271 PolarHBondContact O-N 3.17Š| ||
| 272 | K | 86.8 | Confident | 89.1 | Confident | 173 Ų | 173 | 114.4 Ų | 114.4 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -114.9 | 133.2 | -174 | -154.8 | 178.4 | -174.6 | -177.9 | 0 | 109.3 | S270 | S270-K272 VanDerWaalsContact C-N 3.26Å; S270-K272 PolarHBondContact O-N 3.24Å; S270-K272 PolarHBondContact OG-N 2.71Å; S270-K272 PolarHBondContact OG-O 2.84Å |
| 273 | L | 86.2 | Confident | 89 | Confident | 81 Ų | 81 | 114 Ų | 114 | 42% | 0.424 | 61% | 0.606 | S | S | . | * | trans | -56.1 | 137.5 | 170.6 | -67.1 | 173.1 | 0 | 0 | 0 | 109.8 | L204 E207 M275 | L204-L273 HydrophobicContact CD1-CD1 4.23Å; L204-L273 HydrophobicContact CD1-CD2 3.94Å; E207-L273 HydrophobicContact CG-CD2 4.33Å; L273-M275 VanDerWaalsContact C-N 3.33Å | ||
| 274 | S | 84.2 | Confident | 89 | Confident | 90 Ų | 90 | 109.1 Ų | 109.1 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -63.4 | -39.1 | 178.3 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | E207 | E207-S274 WeakPolarHBondContact OE1-CA 3.4Å; E207-S274 WeakPolarHBondContact OE1-CB 3.46Å; E207-S274 PolarHBondContact OE1-N 3.49Å; E207-S274 PolarHBondContact OE1-OG 2.93Å; E207-S274 PolarHBondContact OE2-OG 3.41Å |
| 275 | M | 83.9 | Confident | 88.9 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | trans | -143.6 | 136.7 | 176.8 | -62.5 | -170.5 | 80.1 | 0 | 0 | 111.5 | L273 | L273-M275 VanDerWaalsContact C-N 3.33Š| ||
| 276 | V | 88.6 | Confident | 88.9 | Confident | 112 Ų | 112 | 102 Ų | 102 | 68% | 0.679 | 56% | 0.56 | S | S | * | * | trans | -102.6 | 129.3 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | Q278 | V276-Q278 PolarHBondContact O-N 3.29Š| ||
| 277 | F | 91.9 | Very high | 89 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | trans | -61.3 | 135.2 | 176.7 | 173.2 | -110.2 | 0 | 0 | 0 | 111.2 | E200 A279 | E200-F277 HydrophobicContact CB-CD2 4.39Å; E200-F277 HydrophobicContact CG-CD2 3.67Å; E200-F277 HydrophobicContact CG-CE2 3.83Å; E200-F277 VanDerWaalsContact OE2-CD2 3.23Å; E200-F277 WeakPolarHBondContact OE2-CD2 3.07Å; F277-A279 HydrophobicContact CE1-CB 4Å; F277-A279 HydrophobicContact CZ-CB 4.25Å | ||
| 278 | Q | 91.6 | Very high | 89.1 | Confident | 170 Ų | 170 | 103.7 Ų | 103.7 | 79% | 0.794 | 57% | 0.567 | S | S | * | * | trans | -120.2 | 118.5 | 172.1 | -66.5 | -177.6 | -0.2 | 0 | 0 | 108.9 | V276 | V276-Q278 PolarHBondContact O-N 3.29Š| ||
| 279 | A | 91.7 | Very high | 89.1 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | trans | -66.8 | 126.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | F277 | F277-A279 HydrophobicContact CE1-CB 4Å; F277-A279 HydrophobicContact CZ-CB 4.25Å | ||
| 280 | P | 90.6 | Very high | 89.2 | Confident | 73 Ų | 73 | 112.5 Ų | 112.5 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | trans | -67.2 | 146.4 | 174.8 | 27.3 | -33.1 | 0 | 0 | 0 | 110.8 | L282 M285 | P280-L282 HydrophobicContact CG-CD2 4.36Å; P280-L282 HydrophobicContact CG-CG 4.36Å; P280-L282 PolarHBondContact O-N 2.9Å; P280-M285 HydrophobicContact CB-CE 3.99Å | ||
| 281 | D | 93.8 | Very high | 89.5 | Confident | 104 Ų | 104 | 113.4 Ų | 113.4 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | trans | -73.3 | 79 | 172.6 | 177.8 | 20 | 0 | 0 | 0 | 111 | S283 G284 M285 | D281-S283 PolarHBondContact O-N 3.28Å; D281-S283 WeakPolarHBondContact OD1-CB 3.42Å; D281-S283 PolarHBondContact OD1-N 2.98Å; D281-G284 VanDerWaalsContact CG-N 3.35Å; D281-G284 PolarHBondContact O-N 3.49Å; D281-G284 PolarHBondContact OD1-N 3.29Å; D281-G284 WeakPolarHBondContact OD2-CA 3Å; D281-G284 PolarHBondContact OD2-N 3.41Å; D281-M285 VanDerWaalsContact O-CG 3.28Å; D281-M285 WeakPolarHBondContact O-CG 3.36Å; D281-M285 PolarHBondContact O-N 2.85Å | ||
| 282 | L | 92.2 | Very high | 89.6 | Confident | 79 Ų | 79 | 107.9 Ų | 107.9 | 41% | 0.414 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.2 | -29.6 | 176.8 | -68.3 | 177 | 0 | 0 | 0 | 112 | L193 P280 M285 L286 | L193-L282 HydrophobicContact CD2-CD1 3.83Å; P280-L282 HydrophobicContact CG-CD2 4.36Å; P280-L282 HydrophobicContact CG-CG 4.36Å; P280-L282 PolarHBondContact O-N 2.9Å; L282-M285 HydrophobicContact CD2-SD 4.38Å; L282-L286 VanDerWaalsContact O-CB 3.3Å; L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 2.94Å |
| 283 | S | 92.5 | Very high | 89.5 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 62% | 0.622 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -52.2 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | D281 M285 L286 Q287 | D281-S283 PolarHBondContact O-N 3.28Å; D281-S283 WeakPolarHBondContact OD1-CB 3.42Å; D281-S283 PolarHBondContact OD1-N 2.98Å; S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 3.28Å; S283-L286 PolarHBondContact O-N 3.45Å; S283-Q287 PolarHBondContact O-N 3.33Å |
| 284 | G | 93 | Very high | 89.3 | Confident | 14 Ų | 14 | 102.9 Ų | 102.9 | 14% | 0.144 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D281 Q287 K288 | D281-G284 VanDerWaalsContact CG-N 3.35Å; D281-G284 PolarHBondContact O-N 3.49Å; D281-G284 PolarHBondContact OD1-N 3.29Å; D281-G284 WeakPolarHBondContact OD2-CA 3Å; D281-G284 PolarHBondContact OD2-N 3.41Å; G284-Q287 PolarHBondContact O-N 3.44Å; G284-K288 WeakPolarHBondContact O-CG 3.38Å; G284-K288 PolarHBondContact O-N 2.96Å; G284-K288 VanDerWaalsContact O-N 3.14Å |
| 285 | M | 92.1 | Very high | 89.2 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 47% | 0.468 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 173.2 | -70 | 178.9 | -169.5 | 0 | 0 | 111.5 | P280 D281 L282 S283 Q287 K288 F289 | P280-M285 HydrophobicContact CB-CE 3.99Å; D281-M285 VanDerWaalsContact O-CG 3.28Å; D281-M285 WeakPolarHBondContact O-CG 3.36Å; D281-M285 PolarHBondContact O-N 2.85Å; L282-M285 HydrophobicContact CD2-SD 4.38Å; S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 3.28Å; M285-Q287 VanDerWaalsContact C-N 3.29Å; M285-Q287 PolarHBondContact O-N 3.32Å; M285-K288 PolarHBondContact O-N 3.39Å; M285-F289 WeakPolarHBondContact O-CD2 3.37Å; M285-F289 PolarHBondContact O-N 3.45Å |
| 286 | L | 91.5 | Very high | 89.1 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 179.2 | -73.8 | 170.9 | 0 | 0 | 0 | 112.3 | L282 S283 F289 R290 | L282-L286 VanDerWaalsContact O-CB 3.3Å; L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 2.94Å; S283-L286 PolarHBondContact O-N 3.45Å; L286-F289 PolarHBondContact O-N 2.82Å; L286-R290 WeakPolarHBondContact O-CG 3.5Å; L286-R290 PolarHBondContact O-N 3.26Å |
| 287 | Q | 93.9 | Very high | 88.7 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 173.6 | 179.8 | 177.6 | -7.6 | 0 | 0 | 111.3 | S283 G284 M285 F289 R290 E291 | S283-Q287 PolarHBondContact O-N 3.33Å; G284-Q287 PolarHBondContact O-N 3.44Å; M285-Q287 VanDerWaalsContact C-N 3.29Å; M285-Q287 PolarHBondContact O-N 3.32Å; Q287-F289 VanDerWaalsContact C-N 3.28Å; Q287-F289 PolarHBondContact O-N 2.88Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.41Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.4Å; Q287-E291 PolarHBondContact NE2-OE1 2.65Å; Q287-E291 PolarHBondContact O-N 3.46Å |
| 288 | K | 90.2 | Very high | 88.1 | Confident | 142 Ų | 142 | 103.9 Ų | 103.9 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.2 | -40.1 | 177.2 | -70.3 | 176.4 | -179.3 | 177.8 | 0 | 112.1 | G284 M285 R290 E291 L292 | G284-K288 WeakPolarHBondContact O-CG 3.38Å; G284-K288 PolarHBondContact O-N 2.96Å; G284-K288 VanDerWaalsContact O-N 3.14Å; M285-K288 PolarHBondContact O-N 3.39Å; K288-R290 VanDerWaalsContact C-N 3.34Å; K288-R290 PolarHBondContact O-N 2.77Å; K288-E291 PolarHBondContact O-N 3.48Å; K288-L292 WeakPolarHBondContact O-CG 3.39Å; K288-L292 PolarHBondContact O-N 3.41Å |
| 289 | F | 87.3 | Confident | 87.5 | Confident | 134 Ų | 134 | 101.8 Ų | 101.8 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 175.4 | -83.5 | -68.7 | 0 | 0 | 0 | 113 | M285 L286 Q287 T293 | M285-F289 WeakPolarHBondContact O-CD2 3.37Å; M285-F289 PolarHBondContact O-N 3.45Å; L286-F289 PolarHBondContact O-N 2.82Å; Q287-F289 VanDerWaalsContact C-N 3.28Å; Q287-F289 PolarHBondContact O-N 2.88Å; F289-T293 WeakPolarHBondContact O-CB 3.24Å; F289-T293 PolarHBondContact O-N 2.91Å; F289-T293 PolarHBondContact O-OG1 2.93Å |
| 290 | R | 87.1 | Confident | 86.7 | Confident | 186 Ų | 186 | 100 Ų | 100 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 175.5 | -70.6 | 174.2 | -170.7 | 174.2 | 4.5 | 111.5 | L286 Q287 K288 T293 A294 | L286-R290 WeakPolarHBondContact O-CG 3.5Å; L286-R290 PolarHBondContact O-N 3.26Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.41Å; K288-R290 VanDerWaalsContact C-N 3.34Å; K288-R290 PolarHBondContact O-N 2.77Å; R290-T293 PolarHBondContact O-N 3.35Å; R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 3.4Å |
| 291 | E | 87.7 | Confident | 86 | Confident | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 177.9 | -69.7 | 169.2 | -170.7 | 0 | 0 | 111.3 | Q287 K288 T293 A294 V295 | Q287-E291 WeakPolarHBondContact CG-OE1 3.4Å; Q287-E291 PolarHBondContact NE2-OE1 2.65Å; Q287-E291 PolarHBondContact O-N 3.46Å; K288-E291 PolarHBondContact O-N 3.48Å; E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 2.9Å; E291-A294 WeakPolarHBondContact O-CB 3.3Å; E291-A294 PolarHBondContact O-N 3.41Å; E291-V295 WeakPolarHBondContact O-CG2 3.49Å; E291-V295 PolarHBondContact O-N 3.24Å |
| 292 | L | 85.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 176.1 | -71.3 | 173.3 | 0 | 0 | 0 | 112.5 | K288 V295 R296 | K288-L292 WeakPolarHBondContact O-CG 3.39Å; K288-L292 PolarHBondContact O-N 3.41Å; L292-V295 PolarHBondContact O-N 2.87Å; L292-R296 WeakPolarHBondContact O-CG 3.45Å; L292-R296 PolarHBondContact O-N 2.88Å |
| 293 | T | 83.9 | Confident | 84.2 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | F289 R290 E291 R296 A297 | F289-T293 WeakPolarHBondContact O-CB 3.24Å; F289-T293 PolarHBondContact O-N 2.91Å; F289-T293 PolarHBondContact O-OG1 2.93Å; R290-T293 PolarHBondContact O-N 3.35Å; E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 2.9Å; T293-R296 PolarHBondContact O-N 2.9Å; T293-A297 WeakPolarHBondContact O-CB 3.39Å; T293-A297 PolarHBondContact O-N 3.35Å |
| 294 | A | 83 | Confident | 83.4 | Confident | 62 Ų | 62 | 103 Ų | 103 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R290 E291 A297 Y298 | R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 3.4Å; E291-A294 WeakPolarHBondContact O-CB 3.3Å; E291-A294 PolarHBondContact O-N 3.41Å; A294-A297 PolarHBondContact O-N 3.21Å; A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 3.33Å |
| 295 | V | 82.1 | Confident | 82.3 | Confident | 76 Ų | 76 | 108 Ų | 108 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 111 | E291 L292 A297 Y298 W299 | E291-V295 WeakPolarHBondContact O-CG2 3.49Å; E291-V295 PolarHBondContact O-N 3.24Å; L292-V295 PolarHBondContact O-N 2.87Å; V295-A297 PolarHBondContact O-N 3.31Å; V295-Y298 WeakPolarHBondContact O-CB 3.28Å; V295-Y298 PolarHBondContact O-N 3.47Å; V295-W299 PolarHBondContact O-N 3.09Å |
| 296 | R | 80.3 | Confident | 81.3 | Confident | 196 Ų | 196 | 106.8 Ų | 106.8 | 74% | 0.74 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 175.9 | -74.6 | 179.1 | 179.9 | -175.1 | -1.9 | 112.3 | L292 T293 W299 G300 | L292-R296 WeakPolarHBondContact O-CG 3.45Å; L292-R296 PolarHBondContact O-N 2.88Å; T293-R296 PolarHBondContact O-N 2.9Å; R296-W299 PolarHBondContact O-N 3.5Å; R296-G300 PolarHBondContact O-N 2.91Å |
| 297 | A | 80.1 | Confident | 80.4 | Confident | 52 Ų | 52 | 106.7 Ų | 106.7 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T293 A294 V295 G300 K301 | T293-A297 WeakPolarHBondContact O-CB 3.39Å; T293-A297 PolarHBondContact O-N 3.35Å; A294-A297 PolarHBondContact O-N 3.21Å; V295-A297 PolarHBondContact O-N 3.31Å; A297-G300 PolarHBondContact O-N 3.25Å; A297-K301 WeakPolarHBondContact O-CG 3.49Å; A297-K301 PolarHBondContact O-N 2.67Å |
| 298 | Y | 80.9 | Confident | 79.2 | Confident | 138 Ų | 138 | 104.1 Ų | 104.1 | 54% | 0.541 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 174.4 | 173.2 | -94.9 | 0 | 0 | 0 | 111.5 | A294 V295 G300 K301 K302 | A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 3.33Å; V295-Y298 WeakPolarHBondContact O-CB 3.28Å; V295-Y298 PolarHBondContact O-N 3.47Å; Y298-G300 PolarHBondContact O-N 3.14Å; Y298-K301 PolarHBondContact O-N 2.81Å; Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 PolarHBondContact O-N 2.73Å |
| 299 | W | 77.3 | Confident | 78 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 179 | -73 | 113.2 | 0 | 0 | 0 | 112.8 | V295 R296 K302 L303 | V295-W299 PolarHBondContact O-N 3.09Å; R296-W299 PolarHBondContact O-N 3.5Å; W299-K302 HydrophobicContact CE3-CD 3.97Å; W299-K302 HydrophobicContact CZ3-CD 3.74Å; W299-K302 PolarHBondContact O-N 3.19Å; W299-L303 WeakPolarHBondContact O-CB 3.43Å; W299-L303 PolarHBondContact O-N 3.49Å |
| 300 | G | 75 | Confident | 76.7 | Confident | 39 Ų | 39 | 96.2 Ų | 96.2 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R296 A297 Y298 L303 Q304 | R296-G300 PolarHBondContact O-N 2.91Å; A297-G300 PolarHBondContact O-N 3.25Å; Y298-G300 PolarHBondContact O-N 3.14Å; G300-L303 PolarHBondContact O-N 3.2Å; G300-Q304 WeakPolarHBondContact O-CB 3.42Å; G300-Q304 PolarHBondContact O-N 3.4Å |
| 301 | K | 76.4 | Confident | 75.4 | Confident | 157 Ų | 157 | 90.9 Ų | 90.9 | 68% | 0.683 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 174.3 | -73.1 | 178.8 | -179 | -177.5 | 0 | 112 | A297 Y298 Q304 M305 | A297-K301 WeakPolarHBondContact O-CG 3.49Å; A297-K301 PolarHBondContact O-N 2.67Å; Y298-K301 PolarHBondContact O-N 2.81Å; K301-Q304 PolarHBondContact O-N 2.81Å; K301-M305 WeakPolarHBondContact O-CB 3.39Å; K301-M305 PolarHBondContact O-N 3.44Å |
| 302 | K | 77 | Confident | 73.7 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.5 | -167.1 | 171.4 | -179 | 179.2 | 0 | 111.8 | Y298 W299 M305 L306 | Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 PolarHBondContact O-N 2.73Å; W299-K302 HydrophobicContact CE3-CD 3.97Å; W299-K302 HydrophobicContact CZ3-CD 3.74Å; W299-K302 PolarHBondContact O-N 3.19Å; K302-M305 PolarHBondContact O-N 2.93Å; K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.37Å |
| 303 | L | 72.4 | Confident | 71.9 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 14% | 0.141 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.8 | -153.6 | 80 | 0 | 0 | 0 | 111.5 | W299 G300 L306 K307 I333 M336 | W299-L303 WeakPolarHBondContact O-CB 3.43Å; W299-L303 PolarHBondContact O-N 3.49Å; G300-L303 PolarHBondContact O-N 3.2Å; L303-L306 PolarHBondContact O-N 2.99Å; L303-K307 WeakPolarHBondContact O-CG 3.24Å; L303-K307 PolarHBondContact O-N 2.75Å; L303-I333 HydrophobicContact CD1-CG1 4.07Å; L303-I333 HydrophobicContact CG-CG1 4.5Å; L303-M336 HydrophobicContact CD1-SD 4.32Å |
| 304 | Q | 74.1 | Confident | 70.1 | Confident | 139 Ų | 139 | 91.2 Ų | 91.2 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 175.4 | -170.3 | 174.4 | 9.1 | 0 | 0 | 111.9 | G300 K301 K307 S308 | G300-Q304 WeakPolarHBondContact O-CB 3.42Å; G300-Q304 PolarHBondContact O-N 3.4Å; K301-Q304 PolarHBondContact O-N 2.81Å; Q304-K307 PolarHBondContact O-N 2.9Å; Q304-S308 PolarHBondContact O-N 3.37Å |
| 305 | M | 70.3 | Confident | 68.3 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 59% | 0.591 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 173 | -174.1 | -170.7 | -67.4 | 0 | 0 | 111.7 | K301 K302 K307 S308 L309 | K301-M305 WeakPolarHBondContact O-CB 3.39Å; K301-M305 PolarHBondContact O-N 3.44Å; K302-M305 PolarHBondContact O-N 2.93Å; M305-K307 VanDerWaalsContact C-N 3.32Å; M305-K307 PolarHBondContact O-N 3.36Å; M305-S308 PolarHBondContact O-N 2.91Å; M305-S308 PolarHBondContact O-OG 3.34Å; M305-L309 HydrophobicContact CG-CD1 4.12Å; M305-L309 WeakPolarHBondContact O-CB 3.38Å; M305-L309 WeakPolarHBondContact O-CD1 3.42Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 3.31Å |
| 306 | L | 70.9 | Confident | 66.5 | Low | 68 Ų | 68 | 96.3 Ų | 96.3 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 174.1 | -73.9 | 169.5 | 0 | 0 | 0 | 112 | K302 L303 C310 | K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.37Å; L303-L306 PolarHBondContact O-N 2.99Å; L306-C310 VanDerWaalsContact O-CB 3.31Å; L306-C310 WeakPolarHBondContact O-CB 3.4Å; L306-C310 PolarHBondContact O-N 3.48Å |
| 307 | K | 72.1 | Confident | 64.6 | Low | 90 Ų | 90 | 90.2 Ų | 90.2 | 39% | 0.391 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 173.9 | -76 | 178.5 | 180 | -177.6 | 0 | 112 | L303 Q304 M305 C310 S311 I333 | L303-K307 WeakPolarHBondContact O-CG 3.24Å; L303-K307 PolarHBondContact O-N 2.75Å; Q304-K307 PolarHBondContact O-N 2.9Å; M305-K307 VanDerWaalsContact C-N 3.32Å; M305-K307 PolarHBondContact O-N 3.36Å; K307-C310 PolarHBondContact O-N 3.37Å; K307-S311 PolarHBondContact O-N 3.39Å; K307-S311 PolarHBondContact O-OG 3.34Å; K307-I333 HydrophobicContact CG-CD1 4.32Å |
| 308 | S | 69.6 | Low | 62.6 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.9 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | Q304 M305 C310 S311 D312 | Q304-S308 PolarHBondContact O-N 3.37Å; M305-S308 PolarHBondContact O-N 2.91Å; M305-S308 PolarHBondContact O-OG 3.34Å; S308-C310 VanDerWaalsContact C-N 3.27Å; S308-C310 PolarHBondContact O-N 3.48Å; S308-S311 PolarHBondContact O-N 3.24Å; S308-D312 WeakPolarHBondContact O-CB 3.29Å; S308-D312 PolarHBondContact O-N 2.74Å |
| 309 | L | 64.2 | Low | 60.7 | Low | 85 Ų | 85 | 90.4 Ų | 90.4 | 45% | 0.445 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -39.3 | 172.4 | -79.7 | 155.7 | 0 | 0 | 0 | 112.1 | M305 H313 | M305-L309 HydrophobicContact CG-CD1 4.12Å; M305-L309 WeakPolarHBondContact O-CB 3.38Å; M305-L309 WeakPolarHBondContact O-CD1 3.42Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 3.31Å; L309-H313 WeakPolarHBondContact O-CB 3.42Å; L309-H313 PolarHBondContact O-CD2 3.2Å; L309-H313 VanDerWaalsContact O-CD2 3.28Å; L309-H313 PolarHBondContact O-N 2.89Å |
| 310 | C | 61.6 | Low | 58.9 | Low | 25 Ų | 25 | 88.8 Ų | 88.8 | 17% | 0.169 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -71.6 | -38.9 | 177.3 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | L306 K307 S308 H313 L314 | L306-C310 VanDerWaalsContact O-CB 3.31Å; L306-C310 WeakPolarHBondContact O-CB 3.4Å; L306-C310 PolarHBondContact O-N 3.48Å; K307-C310 PolarHBondContact O-N 3.37Å; S308-C310 VanDerWaalsContact C-N 3.27Å; S308-C310 PolarHBondContact O-N 3.48Å; C310-H313 CarbonylContact O-C 3.56Å; C310-H313 PolarHBondContact O-N 3.02Å; C310-L314 VanDerWaalsContact O-CB 3.28Å; C310-L314 WeakPolarHBondContact O-CB 3.35Å; C310-L314 WeakPolarHBondContact O-CD1 3.18Å; C310-L314 WeakPolarHBondContact O-CG 3.3Å; C310-L314 PolarHBondContact O-N 2.84Å |
| 311 | S | 58.1 | Low | 57.2 | Low | 74 Ų | 74 | 95.2 Ų | 95.2 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 174.3 | -70.4 | 0 | 0 | 0 | 0 | 112 | K307 S308 L314 S315 | K307-S311 PolarHBondContact O-N 3.39Å; K307-S311 PolarHBondContact O-OG 3.34Å; S308-S311 PolarHBondContact O-N 3.24Å; S311-L314 PolarHBondContact O-N 3.45Å; S311-S315 PolarHBondContact O-N 3.45Å |
| 312 | D | 52.4 | Low | 55.2 | Low | 101 Ų | 101 | 98.6 Ų | 98.6 | 54% | 0.54 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.5 | -65.2 | -23.6 | 0 | 0 | 0 | 110.5 | S308 S315 Q316 | S308-D312 WeakPolarHBondContact O-CB 3.29Å; S308-D312 PolarHBondContact O-N 2.74Å; D312-S315 PolarHBondContact O-N 3.06Å; D312-S315 PolarHBondContact O-OG 3.33Å; D312-Q316 PolarHBondContact O-N 3.35Å |
| 313 | H | 48.5 | Very low | 54 | Low | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -32.8 | 174 | -87.3 | -64.4 | 0 | 0 | 0 | 113.9 | L309 C310 S315 Q316 V317 | L309-H313 WeakPolarHBondContact O-CB 3.42Å; L309-H313 PolarHBondContact O-CD2 3.2Å; L309-H313 VanDerWaalsContact O-CD2 3.28Å; L309-H313 PolarHBondContact O-N 2.89Å; C310-H313 CarbonylContact O-C 3.56Å; C310-H313 PolarHBondContact O-N 3.02Å; H313-S315 VanDerWaalsContact C-N 3.3Å; H313-S315 PolarHBondContact O-N 2.94Å; H313-Q316 CarbonylContact O-C 3.6Å; H313-Q316 PolarHBondContact O-N 2.77Å; H313-Q316 VanDerWaalsContact O-N 3.15Å; H313-V317 VanDerWaalsContact O-CB 3.26Å; H313-V317 WeakPolarHBondContact O-CB 3.23Å; H313-V317 WeakPolarHBondContact O-CG2 3.3Å; H313-V317 PolarHBondContact O-N 2.82Å |
| 314 | L | 44.7 | Very low | 52.6 | Low | 97 Ų | 97 | 107.1 Ų | 107.1 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.5 | -33.1 | 174.2 | -85.3 | 157.7 | 0 | 0 | 0 | 111.3 | C310 S311 Q316 | C310-L314 VanDerWaalsContact O-CB 3.28Å; C310-L314 WeakPolarHBondContact O-CB 3.35Å; C310-L314 WeakPolarHBondContact O-CD1 3.18Å; C310-L314 WeakPolarHBondContact O-CG 3.3Å; C310-L314 PolarHBondContact O-N 2.84Å; S311-L314 PolarHBondContact O-N 3.45Å; L314-Q316 VanDerWaalsContact C-N 3.29Å; L314-Q316 PolarHBondContact O-N 3.24Å |
| 315 | S | 45.3 | Very low | 51.2 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.3 | -28.9 | 171.6 | 80.1 | 0 | 0 | 0 | 0 | 112.8 | S311 D312 H313 | S311-S315 PolarHBondContact O-N 3.45Å; D312-S315 PolarHBondContact O-N 3.06Å; D312-S315 PolarHBondContact O-OG 3.33Å; H313-S315 VanDerWaalsContact C-N 3.3Å; H313-S315 PolarHBondContact O-N 2.94Å |
| 316 | Q | 44.4 | Very low | 50.2 | Low | 150 Ų | 150 | 106.2 Ų | 106.2 | 70% | 0.701 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -88.5 | -26.2 | 177.5 | -92.7 | 179.1 | -12.4 | 0 | 0 | 114.6 | D312 H313 L314 | D312-Q316 PolarHBondContact O-N 3.35Å; H313-Q316 CarbonylContact O-C 3.6Å; H313-Q316 PolarHBondContact O-N 2.77Å; H313-Q316 VanDerWaalsContact O-N 3.15Å; L314-Q316 VanDerWaalsContact C-N 3.29Å; L314-Q316 PolarHBondContact O-N 3.24Å |
| 317 | V | 41.6 | Very low | 49.4 | Very low | 68 Ų | 68 | 106.8 Ų | 106.8 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -102.6 | 10.2 | -170.6 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | H313 G319 | H313-V317 VanDerWaalsContact O-CB 3.26Å; H313-V317 WeakPolarHBondContact O-CB 3.23Å; H313-V317 WeakPolarHBondContact O-CG2 3.3Å; H313-V317 PolarHBondContact O-N 2.82Å; V317-G319 PolarHBondContact O-N 3.48Å |
| 318 | C | 38.3 | Very low | 48.5 | Very low | 126 Ų | 126 | 107.6 Ų | 107.6 | 85% | 0.851 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 9.6 | 163.1 | -89.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 319 | G | 41.4 | Very low | 47.7 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -19.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117 | V317 | V317-G319 PolarHBondContact O-N 3.48Š|
| 320 | S | 39.2 | Very low | 47.3 | Very low | 91 Ų | 91 | 107.9 Ų | 107.9 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -162.9 | 115.6 | -176.1 | 42.1 | 0 | 0 | 0 | 0 | 114 | ||
| 321 | M | 37.8 | Very low | 47 | Very low | 174 Ų | 174 | 113.9 Ų | 113.9 | 86% | 0.857 | 61% | 0.612 | S | S | * | * | trans | 3.5 | 114.2 | 147.2 | -159.2 | 148.7 | 66.2 | 0 | 0 | 115 | ||||
| 322 | W | 35.8 | Very low | 47 | Very low | 229 Ų | 229 | 115.1 Ų | 115.1 | 87% | 0.867 | 61% | 0.612 | S | S | * | * | trans | 174.2 | 107.2 | 142.5 | -90.2 | 27.8 | 0 | 0 | 0 | 110.5 | ||||
| 323 | P | 52.2 | Low | 47.2 | Very low | 95 Ų | 95 | 111.4 Ų | 111.4 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | trans | -104.1 | 20.5 | -167.1 | 37.4 | -32.7 | 0 | 0 | 0 | 118 | ||||
| 324 | Y | 42.5 | Very low | 47.3 | Very low | 196 Ų | 196 | 112.9 Ų | 112.9 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -100.2 | -30.7 | -174.5 | -62.4 | -70.3 | 0 | 0 | 0 | 116.5 | ||
| 325 | H | 45.5 | Very low | 47.9 | Very low | 160 Ų | 160 | 112.4 Ų | 112.4 | 74% | 0.741 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -90.6 | -28.2 | -175.9 | -82.6 | -70.7 | 0 | 0 | 0 | 115.2 | C327 | H325-C327 PolarHBondContact O-N 3.09Å |
| 326 | L | 49 | Very low | 48.3 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72 | -18.5 | 175.2 | -82.8 | 150.8 | 0 | 0 | 0 | 112.8 | C330 | L326-C330 PolarHBondContact O-N 2.97Å |
| 327 | C | 54.3 | Low | 48.4 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71 | -37.1 | 179.8 | -167.5 | 0 | 0 | 0 | 0 | 112.8 | H325 L329 C330 Y331 | H325-C327 PolarHBondContact O-N 3.09Å; C327-L329 PolarHBondContact O-N 3.33Å; C327-C330 PolarHBondContact O-N 2.63Å; C327-Y331 VanDerWaalsContact O-CB 3.23Å; C327-Y331 WeakPolarHBondContact O-CB 3.45Å; C327-Y331 PolarHBondContact O-N 2.96Å |
| 328 | L | 51.5 | Low | 48.6 | Very low | 106 Ų | 106 | 111.3 Ų | 111.3 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -38.5 | 179.6 | -97.1 | 144.5 | 0 | 0 | 0 | 112.7 | Y331 L332 | L328-Y331 PolarHBondContact O-N 3.12Å; L328-L332 WeakPolarHBondContact O-CB 3.23Å; L328-L332 VanDerWaalsContact O-CG 3.24Å; L328-L332 WeakPolarHBondContact O-CG 3.31Å; L328-L332 PolarHBondContact O-N 3.2Å |
| 329 | L | 54.4 | Low | 48.7 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 42% | 0.419 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -41.4 | 179.3 | -120.6 | 144.3 | 0 | 0 | 0 | 111.4 | C327 L332 I333 | C327-L329 PolarHBondContact O-N 3.33Å; L329-L332 PolarHBondContact O-N 3.04Å; L329-I333 HydrophobicContact CD2-CD1 4.29Å; L329-I333 WeakPolarHBondContact O-CD1 3.19Å; L329-I333 VanDerWaalsContact O-CG1 3.22Å; L329-I333 WeakPolarHBondContact O-CG1 3.47Å; L329-I333 PolarHBondContact O-N 3.45Å |
| 330 | C | 54.6 | Low | 49.1 | Very low | 69 Ų | 69 | 114.8 Ų | 114.8 | 47% | 0.466 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.7 | -40.5 | 171.4 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | L326 C327 I333 H334 | L326-C330 PolarHBondContact O-N 2.97Å; C327-C330 PolarHBondContact O-N 2.63Å; C330-I333 PolarHBondContact O-N 3.46Å; C330-H334 WeakPolarHBondContact O-CB 3.39Å; C330-H334 PolarHBondContact O-N 3.28Å |
| 331 | Y | 55.1 | Low | 49.6 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -43.1 | 177.8 | -171.5 | -107.7 | 0 | 0 | 0 | 111.9 | C327 L328 H334 I335 | C327-Y331 VanDerWaalsContact O-CB 3.23Å; C327-Y331 WeakPolarHBondContact O-CB 3.45Å; C327-Y331 PolarHBondContact O-N 2.96Å; L328-Y331 PolarHBondContact O-N 3.12Å; Y331-H334 PolarHBondContact O-N 2.71Å; Y331-I335 HydrophobicContact CD1-CD1 3.67Å; Y331-I335 HydrophobicContact CE1-CD1 3.28Å; Y331-I335 HydrophobicContact CE1-CG1 4.27Å; Y331-I335 HydrophobicContact CG-CD1 4.46Å; Y331-I335 WeakPolarHBondContact O-CG1 3.35Å; Y331-I335 PolarHBondContact O-N 3.12Å |
| 332 | L | 57.7 | Low | 50.3 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -40.2 | 175.1 | -71.9 | 170.2 | 0 | 0 | 0 | 112.3 | L328 L329 H334 I335 M336 | L328-L332 WeakPolarHBondContact O-CB 3.23Å; L328-L332 VanDerWaalsContact O-CG 3.24Å; L328-L332 WeakPolarHBondContact O-CG 3.31Å; L328-L332 PolarHBondContact O-N 3.2Å; L329-L332 PolarHBondContact O-N 3.04Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-H334 PolarHBondContact O-N 3.07Å; L332-I335 PolarHBondContact O-N 3.41Å; L332-M336 WeakPolarHBondContact O-CG 3.44Å; L332-M336 PolarHBondContact O-N 2.83Å |
| 333 | I | 58.6 | Low | 51.1 | Low | 24 Ų | 24 | 106 Ų | 106 | 12% | 0.123 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -64 | -36.5 | 174.2 | -69.1 | 166.5 | 0 | 0 | 0 | 111 | L303 K307 L329 C330 N337 | L303-I333 HydrophobicContact CD1-CG1 4.07Å; L303-I333 HydrophobicContact CG-CG1 4.5Å; K307-I333 HydrophobicContact CG-CD1 4.32Å; L329-I333 HydrophobicContact CD2-CD1 4.29Å; L329-I333 WeakPolarHBondContact O-CD1 3.19Å; L329-I333 VanDerWaalsContact O-CG1 3.22Å; L329-I333 WeakPolarHBondContact O-CG1 3.47Å; L329-I333 PolarHBondContact O-N 3.45Å; C330-I333 PolarHBondContact O-N 3.46Å; I333-N337 PolarHBondContact O-N 3Å; I333-N337 PolarHBondContact O-ND2 3.23Å |
| 334 | H | 50 | Low | 51.1 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 60% | 0.602 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.2 | -43.3 | 179 | -159 | -20.1 | 0 | 0 | 0 | 112 | C330 Y331 L332 M336 N337 S338 | C330-H334 WeakPolarHBondContact O-CB 3.39Å; C330-H334 PolarHBondContact O-N 3.28Å; Y331-H334 PolarHBondContact O-N 2.71Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-H334 PolarHBondContact O-N 3.07Å; H334-M336 VanDerWaalsContact C-N 3.26Å; H334-M336 PolarHBondContact O-N 3.27Å; H334-N337 PolarHBondContact O-N 3.18Å; H334-S338 PolarHBondContact O-N 2.57Å; H334-S338 PolarHBondContact O-OG 3.23Å; H334-S338 VanDerWaalsContact O-OG 3.06Å |
| 335 | I | 56.9 | Low | 51.6 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 176 | -71.5 | 171.1 | 0 | 0 | 0 | 110.8 | Y331 L332 N337 S338 | Y331-I335 HydrophobicContact CD1-CD1 3.67Å; Y331-I335 HydrophobicContact CE1-CD1 3.28Å; Y331-I335 HydrophobicContact CE1-CG1 4.27Å; Y331-I335 HydrophobicContact CG-CD1 4.46Å; Y331-I335 WeakPolarHBondContact O-CG1 3.35Å; Y331-I335 PolarHBondContact O-N 3.12Å; L332-I335 PolarHBondContact O-N 3.41Å; I335-N337 VanDerWaalsContact C-N 3.33Å; I335-N337 PolarHBondContact O-N 3.15Å; I335-S338 PolarHBondContact O-N 3.04Å |
| 336 | M | 53.9 | Low | 52.1 | Low | 98 Ų | 98 | 96.5 Ų | 96.5 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72 | -18.8 | -177.9 | -73.4 | -172 | 58.9 | 0 | 0 | 115.1 | L303 L332 H334 | L303-M336 HydrophobicContact CD1-SD 4.32Å; L332-M336 WeakPolarHBondContact O-CG 3.44Å; L332-M336 PolarHBondContact O-N 2.83Å; H334-M336 VanDerWaalsContact C-N 3.26Å; H334-M336 PolarHBondContact O-N 3.27Å |
| 337 | N | 46.9 | Very low | 52.3 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -91.5 | -10.9 | 175.8 | -68 | -42.5 | 0 | 0 | 0 | 113 | I333 H334 I335 | I333-N337 PolarHBondContact O-N 3Å; I333-N337 PolarHBondContact O-ND2 3.23Å; H334-N337 PolarHBondContact O-N 3.18Å; I335-N337 VanDerWaalsContact C-N 3.33Å; I335-N337 PolarHBondContact O-N 3.15Å |
| 338 | S | 45.3 | Very low | 52.1 | Low | 92 Ų | 92 | 99.2 Ų | 99.2 | 64% | 0.643 | 54% | 0.538 | S | S | * | . | trans | -93.4 | 0.9 | -178.7 | -53.8 | 0 | 0 | 0 | 0 | 113.5 | H334 I335 | H334-S338 PolarHBondContact O-N 2.57Å; H334-S338 PolarHBondContact O-OG 3.23Å; H334-S338 VanDerWaalsContact O-OG 3.06Å; I335-S338 PolarHBondContact O-N 3.04Å | ||
| 339 | S | 40.9 | Very low | 52.2 | Low | 153 Ų | 153 | 98.5 Ų | 98.5 | 100% | 1.07 | 54% | 0.537 | S | S | * | . | trans | -117.8 | 0 | 176.4 | 67 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 339 of 339 residues in 415.8 ms
(Link to these results)