| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.5 | Very low | 44.4 | Very low | 223 Ų | 223 | 117.9 Ų | 117.9 | 100% | 1.099 | 64% | 0.643 | S | S | * | * | 0 | 12.5 | 0 | -128.1 | 146.5 | 104.7 | 0 | 0 | 114.6 | |||||
| 2 | F | 37.3 | Very low | 44.6 | Very low | 175 Ų | 175 | 112 Ų | 112 | 77% | 0.768 | 63% | 0.63 | S | S | * | * | trans | -112 | -8.1 | -179.4 | -68.8 | -80 | 0 | 0 | 0 | 118.4 | G4 | F2-G4 PolarHBondContact O-N 2.84Š| ||
| 3 | P | 47.4 | Very low | 44.7 | Very low | 92 Ų | 92 | 115 Ų | 115 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.4 | -29.7 | -174.5 | 26.8 | -31.3 | 0 | 0 | 0 | 113.4 | F6 Y7 | P3-F6 PolarHBondContact O-N 3.42Å; P3-Y7 WeakPolarHBondContact O-CD2 3.15Å; P3-Y7 PolarHBondContact O-N 3.4Å; P3-Y7 VanDerWaalsContact O-N 3.17Å |
| 4 | G | 40.8 | Very low | 45 | Very low | 53 Ų | 53 | 114.8 Ų | 114.8 | 55% | 0.546 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.2 | -36.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F2 F6 Y7 A8 | F2-G4 PolarHBondContact O-N 2.84Å; G4-F6 VanDerWaalsContact C-N 3.33Å; G4-Y7 PolarHBondContact O-N 2.88Å; G4-A8 PolarHBondContact O-N 2.84Å |
| 5 | V | 42.8 | Very low | 45.2 | Very low | 91 Ų | 91 | 109.9 Ų | 109.9 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.3 | -36.1 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | Y7 A8 L9 | V5-Y7 PolarHBondContact O-N 2.99Å; V5-A8 PolarHBondContact O-N 3.32Å; V5-L9 HydrophobicContact CG1-CD1 3.99Å; V5-L9 HydrophobicContact CG1-CG 4.35Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 VanDerWaalsContact O-CG 3.27Å; V5-L9 WeakPolarHBondContact O-CG 3.15Å; V5-L9 PolarHBondContact O-N 2.91Å |
| 6 | F | 44.9 | Very low | 45.3 | Very low | 145 Ų | 145 | 106.3 Ų | 106.3 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.2 | -39.8 | 175.9 | -141.4 | -92 | 0 | 0 | 0 | 112 | P3 G4 L10 | P3-F6 PolarHBondContact O-N 3.42Å; G4-F6 VanDerWaalsContact C-N 3.33Å; F6-L10 HydrophobicContact CD1-CD1 4.27Å; F6-L10 HydrophobicContact CE1-CD1 4.28Å; F6-L10 PolarHBondContact O-N 3.49Å |
| 7 | Y | 43 | Very low | 45.6 | Very low | 180 Ų | 180 | 104.7 Ų | 104.7 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.2 | -36.5 | 174.4 | -93.8 | -82.2 | 0 | 0 | 0 | 113.2 | P3 G4 V5 A11 | P3-Y7 WeakPolarHBondContact O-CD2 3.15Å; P3-Y7 PolarHBondContact O-N 3.4Å; P3-Y7 VanDerWaalsContact O-N 3.17Å; G4-Y7 PolarHBondContact O-N 2.88Å; V5-Y7 PolarHBondContact O-N 2.99Å; Y7-A11 WeakPolarHBondContact O-CB 3.32Å; Y7-A11 PolarHBondContact O-N 3.26Å |
| 8 | A | 44.9 | Very low | 45.6 | Very low | 64 Ų | 64 | 101.7 Ų | 101.7 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.2 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G4 V5 A11 G12 | G4-A8 PolarHBondContact O-N 2.84Å; V5-A8 PolarHBondContact O-N 3.32Å; A8-A11 PolarHBondContact O-N 3.41Å; A8-G12 PolarHBondContact O-N 2.86Å |
| 9 | L | 43.4 | Very low | 45.6 | Very low | 118 Ų | 118 | 100.2 Ų | 100.2 | 62% | 0.618 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -40 | 174.5 | -73.3 | 170.3 | 0 | 0 | 0 | 111.6 | V5 G12 F13 | V5-L9 HydrophobicContact CG1-CD1 3.99Å; V5-L9 HydrophobicContact CG1-CG 4.35Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 VanDerWaalsContact O-CG 3.27Å; V5-L9 WeakPolarHBondContact O-CG 3.15Å; V5-L9 PolarHBondContact O-N 2.91Å; L9-G12 PolarHBondContact O-N 3.02Å; L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.19Å |
| 10 | L | 51.3 | Low | 45.4 | Very low | 89 Ų | 89 | 99.1 Ų | 99.1 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63 | -45.3 | 172.6 | -118.1 | 85.8 | 0 | 0 | 0 | 111.5 | F6 G12 F13 L14 | F6-L10 HydrophobicContact CD1-CD1 4.27Å; F6-L10 HydrophobicContact CE1-CD1 4.28Å; F6-L10 PolarHBondContact O-N 3.49Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 3.34Å; L10-F13 PolarHBondContact O-N 3.47Å; L10-L14 HydrophobicContact CB-CD1 4.46Å; L10-L14 HydrophobicContact CD2-CD1 4.46Å; L10-L14 HydrophobicContact CG-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CD1 3.46Å; L10-L14 PolarHBondContact O-N 3.11Å |
| 11 | A | 47.7 | Very low | 45.4 | Very low | 67 Ų | 67 | 97.6 Ų | 97.6 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.3 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y7 A8 G15 | Y7-A11 WeakPolarHBondContact O-CB 3.32Å; Y7-A11 PolarHBondContact O-N 3.26Å; A8-A11 PolarHBondContact O-N 3.41Å; A11-G15 PolarHBondContact O-N 2.91Å |
| 12 | G | 47.2 | Very low | 45.3 | Very low | 47 Ų | 47 | 89.3 Ų | 89.3 | 49% | 0.485 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A8 L9 L10 G15 A16 | A8-G12 PolarHBondContact O-N 2.86Å; L9-G12 PolarHBondContact O-N 3.02Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 3.34Å; G12-G15 PolarHBondContact O-N 3.48Å; G12-A16 PolarHBondContact O-N 3.48Å |
| 13 | F | 45.6 | Very low | 45.5 | Very low | 151 Ų | 151 | 89.2 Ų | 89.2 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.4 | -39.3 | 178.6 | -161.7 | -98.1 | 0 | 0 | 0 | 112.2 | L9 L10 A16 V17 | L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.19Å; L10-F13 PolarHBondContact O-N 3.47Å; F13-A16 PolarHBondContact O-N 3.44Å; F13-V17 HydrophobicContact CE1-CG2 4.43Å; F13-V17 WeakPolarHBondContact O-CG2 3.3Å; F13-V17 PolarHBondContact O-N 3.42Å |
| 14 | L | 49.7 | Very low | 45.2 | Very low | 112 Ų | 112 | 90.4 Ų | 90.4 | 59% | 0.586 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -33.5 | 172 | -84 | 100.3 | 0 | 0 | 0 | 112.4 | L10 V17 A18 | L10-L14 HydrophobicContact CB-CD1 4.46Å; L10-L14 HydrophobicContact CD2-CD1 4.46Å; L10-L14 HydrophobicContact CG-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CD1 3.46Å; L10-L14 PolarHBondContact O-N 3.11Å; L14-V17 PolarHBondContact O-N 2.9Å; L14-A18 VanDerWaalsContact O-CB 3.31Å; L14-A18 WeakPolarHBondContact O-CB 3.19Å; L14-A18 PolarHBondContact O-N 3.46Å |
| 15 | G | 47.9 | Very low | 45.2 | Very low | 41 Ų | 41 | 90.7 Ų | 90.7 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | A11 G12 A18 S19 | A11-G15 PolarHBondContact O-N 2.91Å; G12-G15 PolarHBondContact O-N 3.48Å; G15-A18 PolarHBondContact O-N 2.82Å; G15-S19 WeakPolarHBondContact O-CB 3.29Å; G15-S19 PolarHBondContact O-N 3.48Å |
| 16 | A | 46.4 | Very low | 45.2 | Very low | 53 Ų | 53 | 93.9 Ų | 93.9 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G12 F13 A18 S19 S20 | G12-A16 PolarHBondContact O-N 3.48Å; F13-A16 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact C-N 3.33Å; A16-A18 PolarHBondContact O-N 3.45Å; A16-S19 WeakPolarHBondContact O-CB 3.45Å; A16-S19 PolarHBondContact O-N 2.95Å; A16-S20 PolarHBondContact O-N 3.15Å; A16-S20 PolarHBondContact O-OG 3.45Å |
| 17 | V | 51.1 | Low | 45.3 | Very low | 79 Ų | 79 | 87.6 Ų | 87.6 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 173.8 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | F13 L14 S20 S21 | F13-V17 HydrophobicContact CE1-CG2 4.43Å; F13-V17 WeakPolarHBondContact O-CG2 3.3Å; F13-V17 PolarHBondContact O-N 3.42Å; L14-V17 PolarHBondContact O-N 2.9Å; V17-S20 PolarHBondContact O-N 3.07Å; V17-S21 PolarHBondContact O-N 3.35Å; V17-S21 VanDerWaalsContact O-N 3.12Å; V17-S21 PolarHBondContact O-OG 2.84Å |
| 18 | A | 44.4 | Very low | 45.4 | Very low | 51 Ų | 51 | 81.6 Ų | 81.6 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | L14 G15 A16 S21 A22 | L14-A18 VanDerWaalsContact O-CB 3.31Å; L14-A18 WeakPolarHBondContact O-CB 3.19Å; L14-A18 PolarHBondContact O-N 3.46Å; G15-A18 PolarHBondContact O-N 2.82Å; A16-A18 VanDerWaalsContact C-N 3.33Å; A16-A18 PolarHBondContact O-N 3.45Å; A18-S21 PolarHBondContact O-N 3.48Å; A18-A22 WeakPolarHBondContact O-CB 3.28Å; A18-A22 PolarHBondContact O-N 2.97Å |
| 19 | S | 46.3 | Very low | 45.6 | Very low | 73 Ų | 73 | 85 Ų | 85 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | G15 A16 S21 A22 K23 | G15-S19 WeakPolarHBondContact O-CB 3.29Å; G15-S19 PolarHBondContact O-N 3.48Å; A16-S19 WeakPolarHBondContact O-CB 3.45Å; A16-S19 PolarHBondContact O-N 2.95Å; S19-S21 VanDerWaalsContact C-N 3.27Å; S19-S21 PolarHBondContact O-N 2.92Å; S19-A22 PolarHBondContact O-N 2.92Å; S19-K23 PolarHBondContact O-N 2.94Å; S19-K23 VanDerWaalsContact O-N 3.12Å |
| 20 | S | 40.7 | Very low | 45.6 | Very low | 77 Ų | 77 | 87.8 Ų | 87.8 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 172.6 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | A16 V17 | A16-S20 PolarHBondContact O-N 3.15Å; A16-S20 PolarHBondContact O-OG 3.45Å; V17-S20 PolarHBondContact O-N 3.07Å |
| 21 | S | 45.7 | Very low | 45.5 | Very low | 68 Ų | 68 | 87.8 Ų | 87.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.5 | -33.6 | 177.1 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | V17 A18 S19 L24 S25 | V17-S21 PolarHBondContact O-N 3.35Å; V17-S21 VanDerWaalsContact O-N 3.12Å; V17-S21 PolarHBondContact O-OG 2.84Å; A18-S21 PolarHBondContact O-N 3.48Å; S19-S21 VanDerWaalsContact C-N 3.27Å; S19-S21 PolarHBondContact O-N 2.92Å; S21-L24 PolarHBondContact O-N 3.28Å; S21-S25 PolarHBondContact O-N 2.94Å |
| 22 | A | 42.4 | Very low | 45.6 | Very low | 49 Ų | 49 | 91.2 Ų | 91.2 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.3 | -31.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A18 S19 L24 S25 L26 | A18-A22 WeakPolarHBondContact O-CB 3.28Å; A18-A22 PolarHBondContact O-N 2.97Å; S19-A22 PolarHBondContact O-N 2.92Å; A22-L24 VanDerWaalsContact C-N 3.3Å; A22-L24 PolarHBondContact O-N 3.25Å; A22-S25 WeakPolarHBondContact O-CA 3.27Å; A22-S25 WeakPolarHBondContact O-CB 3.33Å; A22-S25 PolarHBondContact O-N 3.2Å; A22-L26 PolarHBondContact O-N 3.47Å |
| 23 | K | 41 | Very low | 46 | Very low | 174 Ų | 174 | 90.5 Ų | 90.5 | 76% | 0.757 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -29.2 | 172.1 | -109.1 | 171.6 | 177.5 | 158.1 | 0 | 113 | S19 G27 | S19-K23 PolarHBondContact O-N 2.94Å; S19-K23 VanDerWaalsContact O-N 3.12Å; K23-G27 PolarHBondContact O-N 3.26Å |
| 24 | L | 42.9 | Very low | 46.3 | Very low | 116 Ų | 116 | 86.9 Ų | 86.9 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.4 | -26.4 | 167.9 | -79.3 | 157 | 0 | 0 | 0 | 112.4 | S21 A22 | S21-L24 PolarHBondContact O-N 3.28Å; A22-L24 VanDerWaalsContact C-N 3.3Å; A22-L24 PolarHBondContact O-N 3.25Å |
| 25 | S | 39.1 | Very low | 46.4 | Very low | 59 Ų | 59 | 85.4 Ų | 85.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -82.4 | -33.7 | -179.6 | -168.4 | 0 | 0 | 0 | 0 | 114.7 | S21 A22 A28 | S21-S25 PolarHBondContact O-N 2.94Å; A22-S25 WeakPolarHBondContact O-CA 3.27Å; A22-S25 WeakPolarHBondContact O-CB 3.33Å; A22-S25 PolarHBondContact O-N 3.2Å; S25-A28 WeakPolarHBondContact O-CB 3.39Å; S25-A28 PolarHBondContact O-N 3.01Å; S25-A28 VanDerWaalsContact O-N 3.07Å |
| 26 | L | 43.5 | Very low | 46.8 | Very low | 158 Ų | 158 | 89.3 Ų | 89.3 | 83% | 0.827 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.2 | -20 | 167.9 | -77.6 | 162.2 | 0 | 0 | 0 | 111.7 | A22 A28 | A22-L26 PolarHBondContact O-N 3.47Å; L26-A28 PolarHBondContact O-N 3.42Å |
| 27 | G | 46.2 | Very low | 47.2 | Very low | 14 Ų | 14 | 91.1 Ų | 91.1 | 14% | 0.144 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K23 D29 Y30 L31 | K23-G27 PolarHBondContact O-N 3.26Å; G27-D29 VanDerWaalsContact C-N 3.27Å; G27-D29 PolarHBondContact O-N 2.98Å; G27-D29 VanDerWaalsContact O-N 3.16Å; G27-Y30 CarbonylContact O-C 3.41Å; G27-Y30 WeakPolarHBondContact O-CA 3.47Å; G27-Y30 PolarHBondContact O-N 3.29Å; G27-L31 WeakPolarHBondContact O-CA 3.31Å; G27-L31 VanDerWaalsContact O-CB 3.28Å; G27-L31 WeakPolarHBondContact O-CB 3.32Å; G27-L31 PolarHBondContact O-N 3.33Å |
| 28 | A | 45.3 | Very low | 47.4 | Very low | 53 Ų | 53 | 88.5 Ų | 88.5 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -33 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S25 L26 K32 | S25-A28 WeakPolarHBondContact O-CB 3.39Å; S25-A28 PolarHBondContact O-N 3.01Å; S25-A28 VanDerWaalsContact O-N 3.07Å; L26-A28 PolarHBondContact O-N 3.42Å; A28-K32 WeakPolarHBondContact O-CB 2.87Å; A28-K32 PolarHBondContact O-N 3.41Å |
| 29 | D | 49.3 | Very low | 47.7 | Very low | 136 Ų | 136 | 91.3 Ų | 91.3 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.2 | -35.4 | 173.1 | -71.1 | -60.6 | 0 | 0 | 0 | 112.5 | G27 G33 | G27-D29 VanDerWaalsContact C-N 3.27Å; G27-D29 PolarHBondContact O-N 2.98Å; G27-D29 VanDerWaalsContact O-N 3.16Å; D29-G33 PolarHBondContact O-N 3.49Å |
| 30 | Y | 44.6 | Very low | 47.9 | Very low | 177 Ų | 177 | 98.1 Ų | 98.1 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73 | -35.4 | 173.7 | -173.7 | -100.4 | 0 | 0 | 0 | 112.4 | G27 G33 V34 | G27-Y30 CarbonylContact O-C 3.41Å; G27-Y30 WeakPolarHBondContact O-CA 3.47Å; G27-Y30 PolarHBondContact O-N 3.29Å; Y30-G33 PolarHBondContact O-N 2.75Å; Y30-V34 HydrophobicContact CD1-CG2 4Å; Y30-V34 HydrophobicContact CE1-CG2 3.69Å; Y30-V34 HydrophobicContact CE2-CG2 4.39Å; Y30-V34 HydrophobicContact CG-CG2 4.47Å; Y30-V34 VanDerWaalsContact O-CB 3.27Å; Y30-V34 WeakPolarHBondContact O-CB 2.74Å; Y30-V34 WeakPolarHBondContact O-CG2 2.98Å; Y30-V34 PolarHBondContact O-N 2.98Å |
| 31 | L | 49.1 | Very low | 48.4 | Very low | 88 Ų | 88 | 99.1 Ų | 99.1 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75 | -34.6 | 174.1 | -115 | 85.7 | 0 | 0 | 0 | 109.7 | G27 G33 V34 C35 | G27-L31 WeakPolarHBondContact O-CA 3.31Å; G27-L31 VanDerWaalsContact O-CB 3.28Å; G27-L31 WeakPolarHBondContact O-CB 3.32Å; G27-L31 PolarHBondContact O-N 3.33Å; L31-G33 VanDerWaalsContact C-N 3.32Å; L31-V34 PolarHBondContact O-N 2.9Å; L31-C35 VanDerWaalsContact O-CA 3.29Å; L31-C35 WeakPolarHBondContact O-CA 3.37Å; L31-C35 WeakPolarHBondContact O-CB 3.23Å; L31-C35 PolarHBondContact O-N 3.33Å |
| 32 | K | 50 | Low | 48.3 | Very low | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.609 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 170.6 | -171.6 | 178.5 | -178.7 | -172.1 | 0 | 109.5 | A28 E36 | A28-K32 WeakPolarHBondContact O-CB 2.87Å; A28-K32 PolarHBondContact O-N 3.41Å; K32-E36 WeakPolarHBondContact O-CB 3.35Å; K32-E36 PolarHBondContact O-N 3.31Å |
| 33 | G | 53.8 | Low | 48.5 | Very low | 32 Ų | 32 | 104 Ų | 104 | 33% | 0.33 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -47.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D29 Y30 L31 T37 | D29-G33 PolarHBondContact O-N 3.49Å; Y30-G33 PolarHBondContact O-N 2.75Å; L31-G33 VanDerWaalsContact C-N 3.32Å; G33-T37 WeakPolarHBondContact O-CB 3.01Å; G33-T37 PolarHBondContact O-N 3.38Å; G33-T37 PolarHBondContact O-OG1 3.41Å |
| 34 | V | 51.8 | Low | 48.8 | Very low | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.2 | -28 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | Y30 L31 G38 | Y30-V34 HydrophobicContact CD1-CG2 4Å; Y30-V34 HydrophobicContact CE1-CG2 3.69Å; Y30-V34 HydrophobicContact CE2-CG2 4.39Å; Y30-V34 HydrophobicContact CG-CG2 4.47Å; Y30-V34 VanDerWaalsContact O-CB 3.27Å; Y30-V34 WeakPolarHBondContact O-CB 2.74Å; Y30-V34 WeakPolarHBondContact O-CG2 2.98Å; Y30-V34 PolarHBondContact O-N 2.98Å; L31-V34 PolarHBondContact O-N 2.9Å; V34-G38 WeakPolarHBondContact O-CA 3.49Å; V34-G38 PolarHBondContact O-N 2.91Å |
| 35 | C | 53.7 | Low | 49 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 55% | 0.554 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.9 | -45.1 | 171.6 | -176 | 0 | 0 | 0 | 0 | 109.4 | L31 G38 L39 | L31-C35 VanDerWaalsContact O-CA 3.29Å; L31-C35 WeakPolarHBondContact O-CA 3.37Å; L31-C35 WeakPolarHBondContact O-CB 3.23Å; L31-C35 PolarHBondContact O-N 3.33Å; C35-G38 PolarHBondContact O-N 3.44Å; C35-L39 WeakPolarHBondContact O-CB 3.46Å; C35-L39 PolarHBondContact O-N 3.4Å |
| 36 | E | 54.9 | Low | 49.3 | Very low | 123 Ų | 123 | 111.1 Ų | 111.1 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.9 | -40.5 | 175.6 | -169.3 | 169 | 175.9 | 0 | 0 | 112 | K32 R40 | K32-E36 WeakPolarHBondContact O-CB 3.35Å; K32-E36 PolarHBondContact O-N 3.31Å; E36-R40 WeakPolarHBondContact O-CG 3.09Å; E36-R40 PolarHBondContact O-N 3.5Å |
| 37 | T | 55.1 | Low | 49.3 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73 | -39 | 175.5 | -48.7 | 0 | 0 | 0 | 0 | 111.7 | G33 R40 T41 | G33-T37 WeakPolarHBondContact O-CB 3.01Å; G33-T37 PolarHBondContact O-N 3.38Å; G33-T37 PolarHBondContact O-OG1 3.41Å; T37-R40 WeakPolarHBondContact O-CB 3.21Å; T37-R40 PolarHBondContact O-N 2.69Å; T37-T41 WeakPolarHBondContact O-CG2 3.3Å; T37-T41 PolarHBondContact O-N 3.36Å; T37-T41 PolarHBondContact O-OG1 3.4Å |
| 38 | G | 55.6 | Low | 49.1 | Very low | 24 Ų | 24 | 122.3 Ų | 122.3 | 25% | 0.247 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -65.7 | -37.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V34 C35 R40 T41 W42 | V34-G38 WeakPolarHBondContact O-CA 3.49Å; V34-G38 PolarHBondContact O-N 2.91Å; C35-G38 PolarHBondContact O-N 3.44Å; G38-R40 VanDerWaalsContact C-N 3.29Å; G38-R40 PolarHBondContact O-N 3.31Å; G38-T41 WeakPolarHBondContact CA-OG1 3.27Å; G38-T41 PolarHBondContact O-N 2.88Å; G38-T41 PolarHBondContact O-OG1 2.88Å; G38-T41 VanDerWaalsContact O-OG1 3.04Å; G38-W42 VanDerWaalsContact O-CB 3.27Å; G38-W42 WeakPolarHBondContact O-CB 3.44Å; G38-W42 PolarHBondContact O-N 2.99Å |
| 39 | L | 51.1 | Low | 49 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.3 | -34.7 | 173.2 | -164.3 | 77 | 0 | 0 | 0 | 111.1 | C35 G43 | C35-L39 WeakPolarHBondContact O-CB 3.46Å; C35-L39 PolarHBondContact O-N 3.4Å; L39-G43 WeakPolarHBondContact O-CA 3.34Å; L39-G43 PolarHBondContact O-N 3.49Å |
| 40 | R | 50.6 | Low | 48.9 | Very low | 216 Ų | 216 | 130.6 Ų | 130.6 | 82% | 0.815 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.2 | -37 | 173 | -75 | -126.3 | 172.7 | 146.1 | -0.5 | 113.5 | E36 T37 G38 | E36-R40 WeakPolarHBondContact O-CG 3.09Å; E36-R40 PolarHBondContact O-N 3.5Å; T37-R40 WeakPolarHBondContact O-CB 3.21Å; T37-R40 PolarHBondContact O-N 2.69Å; G38-R40 VanDerWaalsContact C-N 3.29Å; G38-R40 PolarHBondContact O-N 3.31Å |
| 41 | T | 49.8 | Very low | 48.8 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -79.2 | -33.4 | 178.9 | 58.5 | 0 | 0 | 0 | 0 | 113 | T37 G38 | T37-T41 WeakPolarHBondContact O-CG2 3.3Å; T37-T41 PolarHBondContact O-N 3.36Å; T37-T41 PolarHBondContact O-OG1 3.4Å; G38-T41 WeakPolarHBondContact CA-OG1 3.27Å; G38-T41 PolarHBondContact O-N 2.88Å; G38-T41 PolarHBondContact O-OG1 2.88Å; G38-T41 VanDerWaalsContact O-OG1 3.04Å |
| 42 | W | 44.9 | Very low | 48.7 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -86.6 | -13.2 | 175.6 | -92.1 | 62 | 0 | 0 | 0 | 114.3 | G38 E44 Q45 | G38-W42 VanDerWaalsContact O-CB 3.27Å; G38-W42 WeakPolarHBondContact O-CB 3.44Å; G38-W42 PolarHBondContact O-N 2.99Å; W42-E44 PolarHBondContact O-N 2.96Å; W42-E44 VanDerWaalsContact O-N 3.16Å; W42-Q45 PolarHBondContact O-N 2.88Å |
| 43 | G | 46.7 | Very low | 48.6 | Very low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -16.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L39 | L39-G43 WeakPolarHBondContact O-CA 3.34Å; L39-G43 PolarHBondContact O-N 3.49Å |
| 44 | E | 47.5 | Very low | 48.4 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -19.7 | 172.6 | -96.8 | -65.4 | 122.1 | 0 | 0 | 113.7 | W42 | W42-E44 PolarHBondContact O-N 2.96Å; W42-E44 VanDerWaalsContact O-N 3.16Å |
| 45 | Q | 45.5 | Very low | 48.3 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -21.8 | -169.2 | -108 | -92.7 | -61.8 | 0 | 0 | 115.6 | W42 | W42-Q45 PolarHBondContact O-N 2.88Š|
| 46 | R | 46.3 | Very low | 48 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | trans | -143 | 84.3 | -175.8 | -79.2 | -160.1 | -98.9 | -178.6 | -12 | 114.7 | F48 | R46-F48 PolarHBondContact O-N 3.3Š| ||
| 47 | K | 44.2 | Very low | 47.8 | Very low | 208 Ų | 208 | 128.6 Ų | 128.6 | 90% | 0.904 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 20.1 | 169.8 | -136.9 | 174.4 | -170.1 | 174.6 | 0 | 115.5 | ||
| 48 | F | 42.4 | Very low | 47.6 | Very low | 198 Ų | 198 | 130.6 Ų | 130.6 | 87% | 0.868 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | 17 | -166.2 | -135.4 | -92.6 | 0 | 0 | 0 | 118.2 | R46 | R46-F48 PolarHBondContact O-N 3.3Š|
| 49 | R | 43 | Very low | 47.3 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | trans | -144.1 | 42.1 | 175.2 | -137.8 | 172 | 93.9 | 135.1 | 6 | 115.3 | E53 | R49-E53 IonicContact NH2-OE1 3.06Å; R49-E53 PolarHBondContact NH2-OE1 3.32Å | ||
| 50 | H | 46.6 | Very low | 47.1 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -84.3 | 108.3 | 173.7 | -94.9 | -84.2 | 0 | 0 | 0 | 110.8 | ||||
| 51 | A | 42.4 | Very low | 47.1 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 178.4 | -26.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 52 | D | 46.2 | Very low | 47.4 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -101.5 | -4.9 | -162.1 | -155.1 | 36.1 | 0 | 0 | 0 | 116 | ||
| 53 | E | 48.4 | Very low | 47.7 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -94.5 | -15.2 | -167.2 | -56.5 | -76.7 | 162 | 0 | 0 | 113.5 | R49 | R49-E53 IonicContact NH2-OE1 3.06Å; R49-E53 PolarHBondContact NH2-OE1 3.32Å |
| 54 | T | 49.2 | Very low | 47.9 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -74.9 | -25.6 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | A56 | T54-A56 VanDerWaalsContact C-N 3.32Š|
| 55 | T | 49.6 | Very low | 48.4 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 42% | 0.417 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.2 | -18.1 | -179.8 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | R59 | T55-R59 WeakPolarHBondContact O-CB 3.41Å; T55-R59 WeakPolarHBondContact O-CG 3.34Å; T55-R59 PolarHBondContact O-N 3.11Å |
| 56 | A | 49 | Very low | 48.6 | Very low | 56 Ų | 56 | 130.6 Ų | 130.6 | 46% | 0.463 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -74.7 | -31.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T54 | T54-A56 VanDerWaalsContact C-N 3.32Å |
| 57 | C | 49.6 | Very low | 49 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 70% | 0.703 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.9 | -45.7 | -179.7 | -83.2 | 0 | 0 | 0 | 0 | 112.8 | L60 | C57-L60 PolarHBondContact O-N 3.1Å |
| 58 | D | 50.9 | Low | 49.3 | Very low | 131 Ų | 131 | 122 Ų | 122 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.1 | -34.9 | 177.8 | -94.3 | -31.2 | 0 | 0 | 0 | 112.3 | L60 H61 I62 | D58-L60 PolarHBondContact O-N 3.31Å; D58-L60 VanDerWaalsContact O-N 3.12Å; D58-H61 PolarHBondContact O-N 3.18Å; D58-I62 WeakPolarHBondContact O-CD1 3.48Å |
| 59 | R | 48.4 | Very low | 49.7 | Very low | 182 Ų | 182 | 114.4 Ų | 114.4 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -11.1 | 178.4 | -86.4 | -142.4 | -111.2 | 172 | -3.7 | 114.5 | T55 P63 | T55-R59 WeakPolarHBondContact O-CB 3.41Å; T55-R59 WeakPolarHBondContact O-CG 3.34Å; T55-R59 PolarHBondContact O-N 3.11Å; R59-P63 WeakPolarHBondContact O-CD 3.38Å; R59-P63 WeakPolarHBondContact O-CG 3.38Å |
| 60 | L | 48.8 | Very low | 49.9 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -23 | -178.1 | -152.3 | 76.4 | 0 | 0 | 0 | 113.5 | C57 D58 P63 | C57-L60 PolarHBondContact O-N 3.1Å; D58-L60 PolarHBondContact O-N 3.31Å; D58-L60 VanDerWaalsContact O-N 3.12Å; L60-P63 VanDerWaalsContact O-CD 3.29Å; L60-P63 WeakPolarHBondContact O-CD 3.43Å; L60-P63 VanDerWaalsContact O-CG 3.27Å; L60-P63 WeakPolarHBondContact O-CG 3.25Å |
| 61 | H | 50.4 | Low | 50.3 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 51% | 0.505 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70 | -37.3 | 178.8 | -174.6 | 86.5 | 0 | 0 | 0 | 112.6 | D58 R65 | D58-H61 PolarHBondContact O-N 3.18Å; H61-R65 PolarHBondContact O-N 2.92Å |
| 62 | I | 55 | Low | 50.7 | Low | 106 Ų | 106 | 106.4 Ų | 106.4 | 54% | 0.544 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -52.8 | 178.1 | -67.2 | 96.8 | 0 | 0 | 0 | 113.1 | D58 L64 R65 L66 | D58-I62 WeakPolarHBondContact O-CD1 3.48Å; I62-L64 VanDerWaalsContact C-N 3.26Å; I62-L64 PolarHBondContact O-N 3.18Å; I62-R65 PolarHBondContact O-N 2.94Å; I62-L66 PolarHBondContact O-N 3.39Å |
| 63 | P | 52.4 | Low | 51.1 | Low | 67 Ų | 67 | 108.1 Ų | 108.1 | 44% | 0.435 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -30.3 | -179.4 | 24.1 | -33.9 | 0 | 0 | 0 | 112.3 | R59 L60 L66 L67 | R59-P63 WeakPolarHBondContact O-CD 3.38Å; R59-P63 WeakPolarHBondContact O-CG 3.38Å; L60-P63 VanDerWaalsContact O-CD 3.29Å; L60-P63 WeakPolarHBondContact O-CD 3.43Å; L60-P63 VanDerWaalsContact O-CG 3.27Å; L60-P63 WeakPolarHBondContact O-CG 3.25Å; P63-L66 PolarHBondContact O-N 3.48Å; P63-L67 WeakPolarHBondContact O-CB 3.23Å; P63-L67 PolarHBondContact O-N 3.01Å |
| 64 | L | 50.8 | Low | 51.1 | Low | 98 Ų | 98 | 106.3 Ų | 106.3 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.3 | -44.6 | 176.2 | -176.5 | 65.2 | 0 | 0 | 0 | 112.3 | I62 L67 C68 | I62-L64 VanDerWaalsContact C-N 3.26Å; I62-L64 PolarHBondContact O-N 3.18Å; L64-L67 PolarHBondContact O-N 2.95Å; L64-C68 WeakPolarHBondContact O-CB 3.33Å; L64-C68 PolarHBondContact O-N 3.28Å |
| 65 | R | 56.5 | Low | 51.2 | Low | 185 Ų | 185 | 104.8 Ų | 104.8 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -40.3 | 174.3 | -104.4 | -179.2 | 173.1 | 167.9 | -1.1 | 112.2 | H61 I62 L67 C68 G69 | H61-R65 PolarHBondContact O-N 2.92Å; I62-R65 PolarHBondContact O-N 2.94Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.42Å; R65-C68 PolarHBondContact O-N 3.46Å; R65-G69 PolarHBondContact O-N 3.46Å |
| 66 | L | 51.5 | Low | 51.3 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.2 | -40.1 | 177.1 | -141.6 | 87.7 | 0 | 0 | 0 | 111.4 | I62 P63 G70 | I62-L66 PolarHBondContact O-N 3.39Å; P63-L66 PolarHBondContact O-N 3.48Å; L66-G70 PolarHBondContact O-N 2.98Å |
| 67 | L | 54.6 | Low | 51.2 | Low | 116 Ų | 116 | 105.2 Ų | 105.2 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -42.4 | 177.5 | -173.8 | 66.7 | 0 | 0 | 0 | 111.7 | P63 L64 R65 G70 L71 | P63-L67 WeakPolarHBondContact O-CB 3.23Å; P63-L67 PolarHBondContact O-N 3.01Å; L64-L67 PolarHBondContact O-N 2.95Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.42Å; L67-G70 PolarHBondContact O-N 3.22Å; L67-L71 WeakPolarHBondContact O-CB 3.38Å; L67-L71 PolarHBondContact O-N 3.49Å |
| 68 | C | 49.5 | Very low | 51.2 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -46.3 | 175.1 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | L64 R65 G70 L71 L72 | L64-C68 WeakPolarHBondContact O-CB 3.33Å; L64-C68 PolarHBondContact O-N 3.28Å; R65-C68 PolarHBondContact O-N 3.46Å; C68-G70 PolarHBondContact O-N 3.05Å; C68-L71 PolarHBondContact O-N 3.42Å; C68-L72 WeakPolarHBondContact O-CG 3.32Å; C68-L72 PolarHBondContact O-N 3.17Å; C68-L72 VanDerWaalsContact O-N 3.08Å |
| 69 | G | 51 | Low | 51.1 | Low | 38 Ų | 38 | 102.3 Ų | 102.3 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R65 L72 F73 | R65-G69 PolarHBondContact O-N 3.46Å; G69-L72 PolarHBondContact O-N 3.44Å; G69-F73 WeakPolarHBondContact O-CB 3.32Å; G69-F73 PolarHBondContact O-N 2.91Å |
| 70 | G | 47.6 | Very low | 50.9 | Low | 32 Ų | 32 | 102.7 Ų | 102.7 | 33% | 0.33 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L66 L67 C68 F73 T74 | L66-G70 PolarHBondContact O-N 2.98Å; L67-G70 PolarHBondContact O-N 3.22Å; C68-G70 PolarHBondContact O-N 3.05Å; G70-F73 PolarHBondContact O-N 3.37Å; G70-T74 WeakPolarHBondContact O-CB 3.41Å; G70-T74 PolarHBondContact O-N 2.99Å; G70-T74 PolarHBondContact O-OG1 3.45Å |
| 71 | L | 53.6 | Low | 50.7 | Low | 129 Ų | 129 | 100.7 Ų | 100.7 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 177.2 | -166.1 | 68.9 | 0 | 0 | 0 | 111.6 | L67 C68 T74 C75 | L67-L71 WeakPolarHBondContact O-CB 3.38Å; L67-L71 PolarHBondContact O-N 3.49Å; C68-L71 PolarHBondContact O-N 3.42Å; L71-T74 PolarHBondContact O-N 3.09Å; L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.44Å; L71-C75 PolarHBondContact O-N 2.98Å |
| 72 | L | 52.8 | Low | 50.7 | Low | 120 Ų | 120 | 102.3 Ų | 102.3 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 173.8 | -72.2 | 169.6 | 0 | 0 | 0 | 111.7 | C68 G69 C75 N76 | C68-L72 WeakPolarHBondContact O-CG 3.32Å; C68-L72 PolarHBondContact O-N 3.17Å; C68-L72 VanDerWaalsContact O-N 3.08Å; G69-L72 PolarHBondContact O-N 3.44Å; L72-C75 PolarHBondContact O-N 2.82Å; L72-N76 VanDerWaalsContact O-CB 3.25Å; L72-N76 WeakPolarHBondContact O-CB 3.31Å; L72-N76 PolarHBondContact O-N 3.39Å |
| 73 | F | 52.7 | Low | 50.2 | Low | 157 Ų | 157 | 101.6 Ų | 101.6 | 69% | 0.689 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 178.1 | -172.9 | -95 | 0 | 0 | 0 | 112.1 | G69 G70 N76 A77 | G69-F73 WeakPolarHBondContact O-CB 3.32Å; G69-F73 PolarHBondContact O-N 2.91Å; G70-F73 PolarHBondContact O-N 3.37Å; F73-N76 PolarHBondContact O-N 3.37Å; F73-A77 WeakPolarHBondContact O-CB 3.3Å; F73-A77 PolarHBondContact O-N 3.06Å |
| 74 | T | 49.9 | Very low | 49.9 | Very low | 83 Ų | 83 | 100.8 Ų | 100.8 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 179.7 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | G70 L71 N76 A77 V78 | G70-T74 WeakPolarHBondContact O-CB 3.41Å; G70-T74 PolarHBondContact O-N 2.99Å; G70-T74 PolarHBondContact O-OG1 3.45Å; L71-T74 PolarHBondContact O-N 3.09Å; T74-N76 VanDerWaalsContact C-N 3.31Å; T74-N76 PolarHBondContact O-N 2.97Å; T74-A77 PolarHBondContact O-N 2.96Å; T74-V78 VanDerWaalsContact O-CG2 3.25Å; T74-V78 WeakPolarHBondContact O-CG2 3.34Å; T74-V78 PolarHBondContact O-N 2.85Å |
| 75 | C | 50.7 | Low | 49.5 | Very low | 87 Ų | 87 | 103.5 Ų | 103.5 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | 174.9 | -160.5 | 0 | 0 | 0 | 0 | 112 | L71 L72 M79 | L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.44Å; L71-C75 PolarHBondContact O-N 2.98Å; L72-C75 PolarHBondContact O-N 2.82Å; C75-M79 PolarHBondContact O-N 2.9Å; C75-M79 VanDerWaalsContact O-N 3.09Å |
| 76 | N | 51.2 | Low | 48.6 | Very low | 90 Ų | 90 | 96.6 Ų | 96.6 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.9 | -39.4 | 177.2 | -157.9 | -23.7 | 0 | 0 | 0 | 112.1 | L72 F73 T74 V78 M79 W80 | L72-N76 VanDerWaalsContact O-CB 3.25Å; L72-N76 WeakPolarHBondContact O-CB 3.31Å; L72-N76 PolarHBondContact O-N 3.39Å; F73-N76 PolarHBondContact O-N 3.37Å; T74-N76 VanDerWaalsContact C-N 3.31Å; T74-N76 PolarHBondContact O-N 2.97Å; N76-V78 PolarHBondContact O-N 3.4Å; N76-M79 WeakPolarHBondContact O-CB 3.41Å; N76-M79 PolarHBondContact O-N 3.2Å; N76-W80 PolarHBondContact O-N 3.44Å |
| 77 | A | 46.4 | Very low | 48.2 | Very low | 43 Ų | 43 | 97.1 Ų | 97.1 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F73 T74 M79 W80 T81 | F73-A77 WeakPolarHBondContact O-CB 3.3Å; F73-A77 PolarHBondContact O-N 3.06Å; T74-A77 PolarHBondContact O-N 2.96Å; A77-M79 VanDerWaalsContact C-N 3.35Å; A77-W80 PolarHBondContact O-N 3Å; A77-T81 WeakPolarHBondContact O-CB 3.46Å; A77-T81 VanDerWaalsContact O-CG2 3.3Å; A77-T81 WeakPolarHBondContact O-CG2 3.49Å; A77-T81 PolarHBondContact O-N 3.47Å; A77-T81 PolarHBondContact O-OG1 3.22Å |
| 78 | V | 50.3 | Low | 47.7 | Very low | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | T74 N76 W80 T81 F82 | T74-V78 VanDerWaalsContact O-CG2 3.25Å; T74-V78 WeakPolarHBondContact O-CG2 3.34Å; T74-V78 PolarHBondContact O-N 2.85Å; N76-V78 PolarHBondContact O-N 3.4Å; V78-W80 PolarHBondContact O-N 3.22Å; V78-T81 VanDerWaalsContact CA-OG1 3.32Å; V78-T81 WeakPolarHBondContact CA-OG1 3.46Å; V78-T81 PolarHBondContact O-N 3.46Å; V78-T81 PolarHBondContact O-OG1 2.99Å; V78-F82 HydrophobicContact CG1-CD2 3.99Å; V78-F82 HydrophobicContact CG1-CE2 4.32Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 2.95Å |
| 79 | M | 49.8 | Very low | 47.3 | Very low | 100 Ų | 100 | 108.7 Ų | 108.7 | 49% | 0.493 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.9 | -47.2 | 172.9 | -174.2 | -175.4 | -75.8 | 0 | 0 | 111.5 | C75 N76 A77 T81 F82 L83 | C75-M79 PolarHBondContact O-N 2.9Å; C75-M79 VanDerWaalsContact O-N 3.09Å; N76-M79 WeakPolarHBondContact O-CB 3.41Å; N76-M79 PolarHBondContact O-N 3.2Å; A77-M79 VanDerWaalsContact C-N 3.35Å; M79-T81 PolarHBondContact O-N 2.94Å; M79-F82 PolarHBondContact O-N 3.43Å; M79-L83 VanDerWaalsContact O-CB 3.3Å; M79-L83 WeakPolarHBondContact O-CB 3.42Å; M79-L83 PolarHBondContact O-N 3.39Å |
| 80 | W | 44 | Very low | 46.6 | Very low | 189 Ų | 189 | 111.7 Ų | 111.7 | 72% | 0.716 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -38.4 | -179.4 | -149 | -66.1 | 0 | 0 | 0 | 112.9 | N76 A77 V78 A84 | N76-W80 PolarHBondContact O-N 3.44Å; A77-W80 PolarHBondContact O-N 3Å; V78-W80 PolarHBondContact O-N 3.22Å; W80-A84 WeakPolarHBondContact O-CB 3.01Å; W80-A84 PolarHBondContact O-N 3.32Å |
| 81 | T | 44.6 | Very low | 46.3 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.3 | -33.9 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | A77 V78 M79 K85 | A77-T81 WeakPolarHBondContact O-CB 3.46Å; A77-T81 VanDerWaalsContact O-CG2 3.3Å; A77-T81 WeakPolarHBondContact O-CG2 3.49Å; A77-T81 PolarHBondContact O-N 3.47Å; A77-T81 PolarHBondContact O-OG1 3.22Å; V78-T81 VanDerWaalsContact CA-OG1 3.32Å; V78-T81 WeakPolarHBondContact CA-OG1 3.46Å; V78-T81 PolarHBondContact O-N 3.46Å; V78-T81 PolarHBondContact O-OG1 2.99Å; M79-T81 PolarHBondContact O-N 2.94Å; T81-K85 WeakPolarHBondContact O-CB 3.38Å; T81-K85 PolarHBondContact O-N 2.85Å |
| 82 | F | 49.2 | Very low | 46 | Very low | 143 Ų | 143 | 113.8 Ų | 113.8 | 63% | 0.627 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.1 | -37 | 173 | -96.8 | -93.6 | 0 | 0 | 0 | 112.7 | V78 M79 K85 A86 | V78-F82 HydrophobicContact CG1-CD2 3.99Å; V78-F82 HydrophobicContact CG1-CE2 4.32Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 2.95Å; M79-F82 PolarHBondContact O-N 3.43Å; F82-K85 PolarHBondContact O-N 3.5Å; F82-A86 WeakPolarHBondContact O-CB 3.42Å; F82-A86 PolarHBondContact O-N 2.99Å |
| 83 | L | 44.8 | Very low | 45.7 | Very low | 91 Ų | 91 | 112.6 Ų | 112.6 | 48% | 0.476 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.8 | -44 | 172.4 | -173.1 | 68.9 | 0 | 0 | 0 | 111.2 | M79 A86 L87 | M79-L83 VanDerWaalsContact O-CB 3.3Å; M79-L83 WeakPolarHBondContact O-CB 3.42Å; M79-L83 PolarHBondContact O-N 3.39Å; L83-A86 PolarHBondContact O-N 3.02Å; L83-L87 HydrophobicContact CG-CD1 4.48Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 2.96Å |
| 84 | A | 46.4 | Very low | 45.4 | Very low | 51 Ų | 51 | 110.3 Ų | 110.3 | 42% | 0.421 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.7 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W80 R88 | W80-A84 WeakPolarHBondContact O-CB 3.01Å; W80-A84 PolarHBondContact O-N 3.32Å; A84-R88 PolarHBondContact O-N 3.34Å |
| 85 | K | 41.7 | Very low | 45.1 | Very low | 155 Ų | 155 | 116.1 Ų | 116.1 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.8 | -37.4 | 173.7 | -96.7 | 177.4 | 171.9 | 168.5 | 0 | 112.8 | T81 F82 R88 Y89 | T81-K85 WeakPolarHBondContact O-CB 3.38Å; T81-K85 PolarHBondContact O-N 2.85Å; F82-K85 PolarHBondContact O-N 3.5Å; K85-R88 PolarHBondContact O-N 2.96Å; K85-Y89 PolarHBondContact O-N 3.46Å |
| 86 | A | 38.8 | Very low | 44.7 | Very low | 40 Ų | 40 | 115 Ų | 115 | 33% | 0.331 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.2 | -42.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F82 L83 R88 Y89 | F82-A86 WeakPolarHBondContact O-CB 3.42Å; F82-A86 PolarHBondContact O-N 2.99Å; L83-A86 PolarHBondContact O-N 3.02Å; A86-R88 PolarHBondContact O-N 3.32Å; A86-Y89 PolarHBondContact O-N 3.36Å |
| 87 | L | 43.3 | Very low | 44.6 | Very low | 145 Ų | 145 | 114.7 Ų | 114.7 | 76% | 0.759 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.6 | -28.6 | 174.9 | -74.4 | 167.8 | 0 | 0 | 0 | 112.9 | L83 | L83-L87 HydrophobicContact CG-CD1 4.48Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 2.96Å |
| 88 | R | 44.3 | Very low | 44.6 | Very low | 227 Ų | 227 | 115.9 Ų | 115.9 | 86% | 0.857 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -10.2 | 177 | -72.8 | -157.1 | 86.5 | 135.2 | 5.4 | 114.8 | A84 K85 A86 | A84-R88 PolarHBondContact O-N 3.34Å; K85-R88 PolarHBondContact O-N 2.96Å; A86-R88 PolarHBondContact O-N 3.32Å |
| 89 | Y | 40.7 | Very low | 44.5 | Very low | 208 Ų | 208 | 116.6 Ų | 116.6 | 82% | 0.816 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | -19.6 | -165.3 | -122.1 | -87.3 | 0 | 0 | 0 | 119 | K85 A86 | K85-Y89 PolarHBondContact O-N 3.46Å; A86-Y89 PolarHBondContact O-N 3.36Å |
| 90 | S | 36.8 | Very low | 44.5 | Very low | 100 Ų | 100 | 115.2 Ų | 115.2 | 70% | 0.699 | 61% | 0.605 | S | S | * | * | trans | -170.3 | 143.8 | 174.3 | -129.7 | 0 | 0 | 0 | 0 | 120.2 | S92 | S90-S92 PolarHBondContact O-N 3.02Š| ||
| 91 | S | 40.9 | Very low | 44.8 | Very low | 135 Ų | 135 | 109 Ų | 109 | 94% | 0.944 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -66.2 | 38.4 | 163.7 | -162.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 92 | S | 46.6 | Very low | 45 | Very low | 71 Ų | 71 | 107.3 Ų | 107.3 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | trans | -134.8 | 95.4 | -179.7 | -158.8 | 0 | 0 | 0 | 0 | 111.9 | S90 T94 | S90-S92 PolarHBondContact O-N 3.02Å; S92-T94 PolarHBondContact O-N 3.35Å | ||
| 93 | S | 47.8 | Very low | 44.8 | Very low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -19.9 | -163.9 | -146.7 | 0 | 0 | 0 | 0 | 115.2 | T97 | S93-T97 PolarHBondContact O-OG1 3.48Š|
| 94 | T | 46.4 | Very low | 45 | Very low | 109 Ų | 109 | 102.6 Ų | 102.6 | 67% | 0.669 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -81.9 | -28 | -163.9 | -29.1 | 0 | 0 | 0 | 0 | 114.4 | S92 V98 | S92-T94 PolarHBondContact O-N 3.35Å; T94-V98 VanDerWaalsContact O-CG2 3.3Å; T94-V98 WeakPolarHBondContact O-CG2 3.27Å |
| 95 | R | 42.8 | Very low | 45.2 | Very low | 205 Ų | 205 | 103.5 Ų | 103.5 | 77% | 0.774 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -78.7 | -30.1 | -179.3 | -169 | 175.5 | -70.2 | 152.3 | -1.6 | 112.2 | T99 | R95-T99 PolarHBondContact O-N 3.05Å; R95-T99 PolarHBondContact O-OG1 3.29Å |
| 96 | T | 42.2 | Very low | 45.6 | Very low | 63 Ų | 63 | 100.2 Ų | 100.2 | 39% | 0.387 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.4 | -43.6 | -179.1 | -42.5 | 0 | 0 | 0 | 0 | 111.2 | V98 T99 T100 | T96-V98 PolarHBondContact O-N 2.91Å; T96-T99 PolarHBondContact O-N 3Å; T96-T100 PolarHBondContact O-N 3.47Å; T96-T100 VanDerWaalsContact O-N 3.1Å; T96-T100 PolarHBondContact O-OG1 3.12Å; T96-T100 VanDerWaalsContact O-OG1 3.11Å |
| 97 | T | 48.9 | Very low | 46 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.3 | -42.4 | 177.6 | -45.8 | 0 | 0 | 0 | 0 | 111.9 | S93 T99 T100 T101 | S93-T97 PolarHBondContact O-OG1 3.48Å; T97-T99 VanDerWaalsContact C-N 3.28Å; T97-T99 PolarHBondContact O-N 3.05Å; T97-T100 PolarHBondContact O-N 2.89Å; T97-T101 WeakPolarHBondContact O-CB 3.46Å; T97-T101 PolarHBondContact O-N 3.04Å; T97-T101 PolarHBondContact O-OG1 3.41Å |
| 98 | V | 46.6 | Very low | 46.2 | Very low | 68 Ų | 68 | 97.9 Ų | 97.9 | 41% | 0.412 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | T94 T96 A102 | T94-V98 VanDerWaalsContact O-CG2 3.3Å; T94-V98 WeakPolarHBondContact O-CG2 3.27Å; T96-V98 PolarHBondContact O-N 2.91Å; V98-A102 WeakPolarHBondContact O-CB 3.42Å; V98-A102 PolarHBondContact O-N 2.99Å |
| 99 | T | 48.1 | Very low | 46.4 | Very low | 89 Ų | 89 | 88.5 Ų | 88.5 | 55% | 0.546 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.7 | -37.7 | -179.1 | -33.9 | 0 | 0 | 0 | 0 | 111.6 | R95 T96 T97 S103 | R95-T99 PolarHBondContact O-N 3.05Å; R95-T99 PolarHBondContact O-OG1 3.29Å; T96-T99 PolarHBondContact O-N 3Å; T97-T99 VanDerWaalsContact C-N 3.28Å; T97-T99 PolarHBondContact O-N 3.05Å; T99-S103 VanDerWaalsContact O-CB 3.23Å; T99-S103 WeakPolarHBondContact O-CB 3.49Å; T99-S103 PolarHBondContact O-N 3.12Å |
| 100 | T | 49.9 | Very low | 46.8 | Very low | 71 Ų | 71 | 86.2 Ų | 86.2 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 112 | T96 T97 S103 N104 | T96-T100 PolarHBondContact O-N 3.47Å; T96-T100 VanDerWaalsContact O-N 3.1Å; T96-T100 PolarHBondContact O-OG1 3.12Å; T96-T100 VanDerWaalsContact O-OG1 3.11Å; T97-T100 PolarHBondContact O-N 2.89Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-N104 WeakPolarHBondContact O-CB 3.44Å; T100-N104 VanDerWaalsContact O-CG 3.24Å; T100-N104 PolarHBondContact O-N 2.94Å |
| 101 | T | 50.3 | Low | 47.3 | Very low | 59 Ų | 59 | 86.3 Ų | 86.3 | 36% | 0.362 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.1 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | T97 S103 N104 F105 | T97-T101 WeakPolarHBondContact O-CB 3.46Å; T97-T101 PolarHBondContact O-N 3.04Å; T97-T101 PolarHBondContact O-OG1 3.41Å; T101-S103 VanDerWaalsContact C-N 3.34Å; T101-S103 PolarHBondContact O-N 3.02Å; T101-N104 PolarHBondContact O-N 3.48Å; T101-F105 WeakPolarHBondContact O-CB 3.38Å; T101-F105 PolarHBondContact O-N 2.93Å |
| 102 | A | 48.1 | Very low | 47.5 | Very low | 46 Ų | 46 | 81.4 Ų | 81.4 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V98 F105 V106 | V98-A102 WeakPolarHBondContact O-CB 3.42Å; V98-A102 PolarHBondContact O-N 2.99Å; A102-F105 PolarHBondContact O-N 3.42Å; A102-V106 WeakPolarHBondContact O-CB 3.31Å; A102-V106 VanDerWaalsContact O-CG2 3.25Å; A102-V106 WeakPolarHBondContact O-CG2 3.48Å; A102-V106 PolarHBondContact O-N 3.38Å |
| 103 | S | 45.1 | Very low | 47.3 | Very low | 53 Ų | 53 | 84.7 Ų | 84.7 | 37% | 0.371 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 176.8 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | T99 T100 T101 F105 V106 S107 | T99-S103 VanDerWaalsContact O-CB 3.23Å; T99-S103 WeakPolarHBondContact O-CB 3.49Å; T99-S103 PolarHBondContact O-N 3.12Å; T100-S103 PolarHBondContact O-N 3.41Å; T101-S103 VanDerWaalsContact C-N 3.34Å; T101-S103 PolarHBondContact O-N 3.02Å; S103-F105 VanDerWaalsContact C-N 3.27Å; S103-F105 PolarHBondContact O-N 2.97Å; S103-V106 PolarHBondContact O-N 2.84Å; S103-S107 WeakPolarHBondContact O-CB 3.27Å; S103-S107 PolarHBondContact O-N 3.45Å; S103-S107 PolarHBondContact O-OG 3.26Å |
| 104 | N | 48.7 | Very low | 47.2 | Very low | 82 Ų | 82 | 87 Ų | 87 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.6 | -28.4 | 176.2 | -73.1 | -10.5 | 0 | 0 | 0 | 112.9 | T100 T101 S107 S108 | T100-N104 WeakPolarHBondContact O-CB 3.44Å; T100-N104 VanDerWaalsContact O-CG 3.24Å; T100-N104 PolarHBondContact O-N 2.94Å; T101-N104 PolarHBondContact O-N 3.48Å; N104-S107 VanDerWaalsContact CA-OG 3.32Å; N104-S107 WeakPolarHBondContact CA-OG 3.32Å; N104-S107 PolarHBondContact O-OG 3.09Å; N104-S108 WeakPolarHBondContact O-CB 3.25Å; N104-S108 PolarHBondContact O-N 2.96Å; N104-S108 PolarHBondContact O-OG 3.02Å |
| 105 | F | 50.8 | Low | 47.2 | Very low | 70 Ų | 70 | 87.2 Ų | 87.2 | 31% | 0.307 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -79 | -40.5 | 176.3 | -150.2 | -98 | 0 | 0 | 0 | 112.2 | T101 A102 S103 S107 S108 A109 G127 T131 | T101-F105 WeakPolarHBondContact O-CB 3.38Å; T101-F105 PolarHBondContact O-N 2.93Å; A102-F105 PolarHBondContact O-N 3.42Å; S103-F105 VanDerWaalsContact C-N 3.27Å; S103-F105 PolarHBondContact O-N 2.97Å; F105-S107 VanDerWaalsContact C-N 3.34Å; F105-S108 PolarHBondContact O-N 3.49Å; F105-A109 WeakPolarHBondContact O-CB 3.3Å; F105-A109 PolarHBondContact O-N 3.26Å; F105-G127 WeakPolarHBondContact CE1-O 3.25Å; F105-G127 VanDerWaalsContact CZ-C 3.41Å; F105-G127 WeakPolarHBondContact CZ-O 3.2Å; F105-T131 HydrophobicContact CB-CG2 4.4Å; F105-T131 HydrophobicContact CD1-CG2 4.14Å; F105-T131 WeakPolarHBondContact CD1-OG1 3.49Å; F105-T131 HydrophobicContact CD2-CG2 4.13Å; F105-T131 WeakPolarHBondContact CD2-OG1 3.12Å; F105-T131 VanDerWaalsContact CE1-OG1 3.23Å; F105-T131 WeakPolarHBondContact CE1-OG1 3.09Å; F105-T131 WeakPolarHBondContact CE2-OG1 2.81Å; F105-T131 HydrophobicContact CG-CG2 3.92Å; F105-T131 WeakPolarHBondContact CG-OG1 3.19Å; F105-T131 WeakPolarHBondContact CZ-OG1 3.29Å |
| 106 | V | 49.8 | Very low | 47.2 | Very low | 86 Ų | 86 | 84.5 Ų | 84.5 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 172.4 | 172 | 0 | 0 | 0 | 0 | 110.5 | A102 S103 A109 F110 | A102-V106 WeakPolarHBondContact O-CB 3.31Å; A102-V106 VanDerWaalsContact O-CG2 3.25Å; A102-V106 WeakPolarHBondContact O-CG2 3.48Å; A102-V106 PolarHBondContact O-N 3.38Å; S103-V106 PolarHBondContact O-N 2.84Å; V106-A109 PolarHBondContact O-N 2.92Å; V106-F110 HydrophobicContact CG1-CD2 4.1Å; V106-F110 HydrophobicContact CG1-CE2 4.36Å; V106-F110 WeakPolarHBondContact O-CD2 3.47Å; V106-F110 PolarHBondContact O-N 2.72Å |
| 107 | S | 48.6 | Very low | 47.3 | Very low | 58 Ų | 58 | 84.8 Ų | 84.8 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.6 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | S103 N104 F105 F110 L111 | S103-S107 WeakPolarHBondContact O-CB 3.27Å; S103-S107 PolarHBondContact O-N 3.45Å; S103-S107 PolarHBondContact O-OG 3.26Å; N104-S107 VanDerWaalsContact CA-OG 3.32Å; N104-S107 WeakPolarHBondContact CA-OG 3.32Å; N104-S107 PolarHBondContact O-OG 3.09Å; F105-S107 VanDerWaalsContact C-N 3.34Å; S107-F110 PolarHBondContact O-N 2.96Å; S107-L111 WeakPolarHBondContact O-CB 3.36Å; S107-L111 PolarHBondContact O-N 3.05Å |
| 108 | S | 47.4 | Very low | 46.9 | Very low | 77 Ų | 77 | 87.6 Ų | 87.6 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 174.2 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | N104 F105 L111 G112 | N104-S108 WeakPolarHBondContact O-CB 3.25Å; N104-S108 PolarHBondContact O-N 2.96Å; N104-S108 PolarHBondContact O-OG 3.02Å; F105-S108 PolarHBondContact O-N 3.49Å; S108-L111 PolarHBondContact O-N 3.34Å; S108-G112 PolarHBondContact O-N 3.36Å |
| 109 | A | 47.6 | Very low | 46.8 | Very low | 30 Ų | 30 | 89.6 Ų | 89.6 | 25% | 0.248 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F105 V106 Q113 | F105-A109 WeakPolarHBondContact O-CB 3.3Å; F105-A109 PolarHBondContact O-N 3.26Å; V106-A109 PolarHBondContact O-N 2.92Å; A109-Q113 PolarHBondContact O-N 2.76Å; A109-Q113 VanDerWaalsContact O-N 3.09Å |
| 110 | F | 50.1 | Low | 46.8 | Very low | 161 Ų | 161 | 88.6 Ų | 88.6 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 171.5 | -100.6 | -91.5 | 0 | 0 | 0 | 111.8 | V106 S107 Q113 L114 | V106-F110 HydrophobicContact CG1-CD2 4.1Å; V106-F110 HydrophobicContact CG1-CE2 4.36Å; V106-F110 WeakPolarHBondContact O-CD2 3.47Å; V106-F110 PolarHBondContact O-N 2.72Å; S107-F110 PolarHBondContact O-N 2.96Å; F110-Q113 PolarHBondContact O-N 2.6Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.48Å; F110-L114 PolarHBondContact O-N 3.07Å |
| 111 | L | 46.1 | Very low | 46.6 | Very low | 102 Ų | 102 | 90.5 Ų | 90.5 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 177.6 | -131.6 | 72.1 | 0 | 0 | 0 | 112.4 | S107 S108 L114 I115 | S107-L111 WeakPolarHBondContact O-CB 3.36Å; S107-L111 PolarHBondContact O-N 3.05Å; S108-L111 PolarHBondContact O-N 3.34Å; L111-L114 HydrophobicContact CD1-CD2 4.42Å; L111-L114 WeakPolarHBondContact O-CB 3.17Å; L111-L114 PolarHBondContact O-N 3.16Å; L111-I115 HydrophobicContact CG-CD1 4.27Å; L111-I115 WeakPolarHBondContact O-CB 3.27Å; L111-I115 WeakPolarHBondContact O-CD1 3.42Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 3.18Å |
| 112 | G | 45.2 | Very low | 46.4 | Very low | 31 Ų | 31 | 92.5 Ų | 92.5 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S108 I115 F116 | S108-G112 PolarHBondContact O-N 3.36Å; G112-I115 PolarHBondContact O-N 3.5Å; G112-F116 PolarHBondContact O-N 2.92Å |
| 113 | Q | 43.2 | Very low | 46.3 | Very low | 140 Ų | 140 | 95.7 Ų | 95.7 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.1 | -36.9 | 170.3 | -87 | -157.5 | 42.8 | 0 | 0 | 112.5 | A109 F110 I115 | A109-Q113 PolarHBondContact O-N 2.76Å; A109-Q113 VanDerWaalsContact O-N 3.09Å; F110-Q113 PolarHBondContact O-N 2.6Å; Q113-I115 VanDerWaalsContact C-N 3.3Å; Q113-I115 PolarHBondContact O-N 3.46Å |
| 114 | L | 44.4 | Very low | 46.7 | Very low | 144 Ų | 144 | 98.8 Ų | 98.8 | 75% | 0.754 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -29.3 | 177.6 | -165 | 78.3 | 0 | 0 | 0 | 112.8 | F110 L111 | F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.48Å; F110-L114 PolarHBondContact O-N 3.07Å; L111-L114 HydrophobicContact CD1-CD2 4.42Å; L111-L114 WeakPolarHBondContact O-CB 3.17Å; L111-L114 PolarHBondContact O-N 3.16Å |
| 115 | I | 46.8 | Very low | 46.7 | Very low | 114 Ų | 114 | 102.8 Ų | 102.8 | 59% | 0.585 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -94.3 | -34.7 | -172.9 | -74 | 164.8 | 0 | 0 | 0 | 113.7 | L111 G112 Q113 | L111-I115 HydrophobicContact CG-CD1 4.27Å; L111-I115 WeakPolarHBondContact O-CB 3.27Å; L111-I115 WeakPolarHBondContact O-CD1 3.42Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 3.18Å; G112-I115 PolarHBondContact O-N 3.5Å; Q113-I115 VanDerWaalsContact C-N 3.3Å; Q113-I115 PolarHBondContact O-N 3.46Å |
| 116 | F | 42.9 | Very low | 46.6 | Very low | 147 Ų | 147 | 104 Ų | 104 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -106.8 | -14.1 | -169.3 | -76.2 | -78.8 | 0 | 0 | 0 | 116.9 | G112 E118 | G112-F116 PolarHBondContact O-N 2.92Å; F116-E118 VanDerWaalsContact C-N 3.27Å; F116-E118 PolarHBondContact O-N 3.37Å |
| 117 | G | 45.8 | Very low | 46.7 | Very low | 69 Ų | 69 | 100.6 Ų | 100.6 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | trans | 66.8 | 1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 118 | E | 38.7 | Very low | 46.9 | Very low | 143 Ų | 143 | 100.8 Ų | 100.8 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -110.9 | 157.9 | 176 | -81.3 | -70.9 | 136.4 | 0 | 0 | 111.2 | F116 Q120 | F116-E118 VanDerWaalsContact C-N 3.27Å; F116-E118 PolarHBondContact O-N 3.37Å; E118-Q120 PolarHBondContact O-N 3.48Å |
| 119 | P | 46 | Very low | 47.1 | Very low | 109 Ų | 109 | 100.9 Ų | 100.9 | 71% | 0.708 | 54% | 0.539 | S | S | * | . | trans | -70.4 | 78.4 | -177.4 | 30.5 | -32.4 | 0 | 0 | 0 | 110.1 | I121 | P119-I121 PolarHBondContact O-N 3.08Š| ||
| 120 | Q | 47.4 | Very low | 47.5 | Very low | 69 Ų | 69 | 105.3 Ų | 105.3 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | trans | -77.2 | 40.7 | -178.1 | -126.2 | 110.3 | 21.5 | 0 | 0 | 111.4 | E118 T122 L123 W124 | E118-Q120 PolarHBondContact O-N 3.48Å; Q120-T122 PolarHBondContact O-N 2.98Å; Q120-L123 HydrophobicContact CB-CB 4.08Å; Q120-L123 HydrophobicContact CG-CB 3.34Å; Q120-L123 HydrophobicContact CG-CD1 4.45Å; Q120-L123 HydrophobicContact CG-CD2 3.9Å; Q120-L123 HydrophobicContact CG-CG 4.09Å; Q120-L123 PolarHBondContact O-N 2.91Å; Q120-L123 VanDerWaalsContact O-N 3.15Å; Q120-W124 PolarHBondContact O-N 3.36Å | ||
| 121 | I | 45.8 | Very low | 47.8 | Very low | 110 Ų | 110 | 99 Ų | 99 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.4 | -40.3 | -179.5 | -159.2 | 75.7 | 0 | 0 | 0 | 109.9 | P119 W125 | P119-I121 PolarHBondContact O-N 3.08Å; I121-W125 PolarHBondContact O-N 3.48Å |
| 122 | T | 45.4 | Very low | 48.2 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.5 | -39.2 | 177.8 | 38.3 | 0 | 0 | 0 | 0 | 113.3 | Q120 W125 V126 | Q120-T122 PolarHBondContact O-N 2.98Å; T122-W125 PolarHBondContact O-N 3.03Å; T122-V126 VanDerWaalsContact O-CG2 3.31Å; T122-V126 WeakPolarHBondContact O-CG2 3.28Å; T122-V126 PolarHBondContact O-N 3.47Å |
| 123 | L | 47.3 | Very low | 48.4 | Very low | 112 Ų | 112 | 102.1 Ų | 102.1 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.7 | -30.2 | 178.6 | -130.6 | 88 | 0 | 0 | 0 | 112 | Q120 V126 G127 | Q120-L123 HydrophobicContact CB-CB 4.08Å; Q120-L123 HydrophobicContact CG-CB 3.34Å; Q120-L123 HydrophobicContact CG-CD1 4.45Å; Q120-L123 HydrophobicContact CG-CD2 3.9Å; Q120-L123 HydrophobicContact CG-CG 4.09Å; Q120-L123 PolarHBondContact O-N 2.91Å; Q120-L123 VanDerWaalsContact O-N 3.15Å; L123-V126 PolarHBondContact O-N 2.87Å; L123-G127 PolarHBondContact O-N 3.41Å |
| 124 | W | 53.6 | Low | 48.7 | Very low | 118 Ų | 118 | 97.4 Ų | 97.4 | 45% | 0.447 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 172.7 | 179.1 | 65.9 | 0 | 0 | 0 | 112 | Q120 V126 G127 I128 | Q120-W124 PolarHBondContact O-N 3.36Å; W124-V126 VanDerWaalsContact C-N 3.34Å; W124-V126 PolarHBondContact O-N 3.35Å; W124-G127 PolarHBondContact O-N 2.62Å; W124-I128 HydrophobicContact CD2-CD1 3.63Å; W124-I128 HydrophobicContact CE3-CD1 4.04Å; W124-I128 HydrophobicContact CG-CD1 4.19Å; W124-I128 HydrophobicContact CH2-CD1 3.88Å; W124-I128 HydrophobicContact CZ2-CD1 3.44Å; W124-I128 VanDerWaalsContact CZ2-CD1 3.44Å; W124-I128 HydrophobicContact CZ3-CD1 4.15Å; W124-I128 WeakPolarHBondContact O-CG1 3.1Å; W124-I128 PolarHBondContact O-N 2.59Å |
| 125 | W | 47.6 | Very low | 49 | Very low | 167 Ų | 167 | 92.9 Ų | 92.9 | 63% | 0.633 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -39.7 | 172.1 | -83.6 | 105.8 | 0 | 0 | 0 | 112.5 | I121 T122 I128 S129 | I121-W125 PolarHBondContact O-N 3.48Å; T122-W125 PolarHBondContact O-N 3.03Å; W125-I128 PolarHBondContact O-N 2.83Å; W125-S129 VanDerWaalsContact O-CB 3.28Å; W125-S129 WeakPolarHBondContact O-CB 3.36Å; W125-S129 PolarHBondContact O-N 2.87Å |
| 126 | V | 49.8 | Very low | 49.4 | Very low | 94 Ų | 94 | 91 Ų | 91 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | T122 L123 W124 S129 L130 | T122-V126 VanDerWaalsContact O-CG2 3.31Å; T122-V126 WeakPolarHBondContact O-CG2 3.28Å; T122-V126 PolarHBondContact O-N 3.47Å; L123-V126 PolarHBondContact O-N 2.87Å; W124-V126 VanDerWaalsContact C-N 3.34Å; W124-V126 PolarHBondContact O-N 3.35Å; V126-S129 PolarHBondContact O-N 2.9Å; V126-L130 VanDerWaalsContact O-CB 3.32Å; V126-L130 WeakPolarHBondContact O-CB 3.45Å; V126-L130 PolarHBondContact O-N 3.26Å |
| 127 | G | 51.2 | Low | 49.9 | Very low | 16 Ų | 16 | 87.7 Ų | 87.7 | 17% | 0.165 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F105 L123 W124 S129 L130 T131 | F105-G127 WeakPolarHBondContact CE1-O 3.25Å; F105-G127 VanDerWaalsContact CZ-C 3.41Å; F105-G127 WeakPolarHBondContact CZ-O 3.2Å; L123-G127 PolarHBondContact O-N 3.41Å; W124-G127 PolarHBondContact O-N 2.62Å; G127-S129 VanDerWaalsContact C-N 3.33Å; G127-S129 PolarHBondContact O-N 2.88Å; G127-L130 PolarHBondContact O-N 3.39Å; G127-T131 WeakPolarHBondContact O-CB 3.38Å; G127-T131 PolarHBondContact O-N 3.04Å; G127-T131 PolarHBondContact O-OG1 3.43Å |
| 128 | I | 53.7 | Low | 50.5 | Low | 62 Ų | 62 | 90.2 Ų | 90.2 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.5 | -70.1 | 166.5 | 0 | 0 | 0 | 110.5 | W124 W125 T131 F132 | W124-I128 HydrophobicContact CD2-CD1 3.63Å; W124-I128 HydrophobicContact CE3-CD1 4.04Å; W124-I128 HydrophobicContact CG-CD1 4.19Å; W124-I128 HydrophobicContact CH2-CD1 3.88Å; W124-I128 HydrophobicContact CZ2-CD1 3.44Å; W124-I128 VanDerWaalsContact CZ2-CD1 3.44Å; W124-I128 HydrophobicContact CZ3-CD1 4.15Å; W124-I128 WeakPolarHBondContact O-CG1 3.1Å; W124-I128 PolarHBondContact O-N 2.59Å; W125-I128 PolarHBondContact O-N 2.83Å; I128-T131 PolarHBondContact O-N 2.84Å; I128-F132 VanDerWaalsContact O-CB 3.27Å; I128-F132 WeakPolarHBondContact O-CB 3.43Å; I128-F132 PolarHBondContact O-N 3.19Å |
| 129 | S | 51.5 | Low | 51.1 | Low | 78 Ų | 78 | 89.5 Ų | 89.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | W125 V126 G127 F132 S133 | W125-S129 VanDerWaalsContact O-CB 3.28Å; W125-S129 WeakPolarHBondContact O-CB 3.36Å; W125-S129 PolarHBondContact O-N 2.87Å; V126-S129 PolarHBondContact O-N 2.9Å; G127-S129 VanDerWaalsContact C-N 3.33Å; G127-S129 PolarHBondContact O-N 2.88Å; S129-F132 PolarHBondContact O-N 2.8Å; S129-S133 WeakPolarHBondContact O-CB 3.42Å; S129-S133 PolarHBondContact O-N 2.66Å |
| 130 | L | 54.3 | Low | 51.5 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 178.2 | -170.9 | 67.5 | 0 | 0 | 0 | 111.9 | V126 G127 S133 G134 | V126-L130 VanDerWaalsContact O-CB 3.32Å; V126-L130 WeakPolarHBondContact O-CB 3.45Å; V126-L130 PolarHBondContact O-N 3.26Å; G127-L130 PolarHBondContact O-N 3.39Å; L130-S133 PolarHBondContact O-N 3.49Å; L130-G134 PolarHBondContact O-N 3.25Å |
| 131 | T | 57.7 | Low | 51.7 | Low | 29 Ų | 29 | 97.3 Ų | 97.3 | 18% | 0.178 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 176.2 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | F105 G127 I128 G134 L135 | F105-T131 HydrophobicContact CB-CG2 4.4Å; F105-T131 HydrophobicContact CD1-CG2 4.14Å; F105-T131 WeakPolarHBondContact CD1-OG1 3.49Å; F105-T131 HydrophobicContact CD2-CG2 4.13Å; F105-T131 WeakPolarHBondContact CD2-OG1 3.12Å; F105-T131 VanDerWaalsContact CE1-OG1 3.23Å; F105-T131 WeakPolarHBondContact CE1-OG1 3.09Å; F105-T131 WeakPolarHBondContact CE2-OG1 2.81Å; F105-T131 HydrophobicContact CG-CG2 3.92Å; F105-T131 WeakPolarHBondContact CG-OG1 3.19Å; F105-T131 WeakPolarHBondContact CZ-OG1 3.29Å; G127-T131 WeakPolarHBondContact O-CB 3.38Å; G127-T131 PolarHBondContact O-N 3.04Å; G127-T131 PolarHBondContact O-OG1 3.43Å; I128-T131 PolarHBondContact O-N 2.84Å; T131-G134 PolarHBondContact O-N 2.75Å; T131-L135 HydrophobicContact CG2-CD1 3.93Å; T131-L135 WeakPolarHBondContact O-CB 3.08Å; T131-L135 WeakPolarHBondContact O-CD1 3.42Å; T131-L135 WeakPolarHBondContact O-CG 3.38Å; T131-L135 PolarHBondContact O-N 3.45Å |
| 132 | F | 54.9 | Low | 51.6 | Low | 138 Ų | 138 | 96 Ų | 96 | 61% | 0.605 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 175.6 | -157.6 | -100.7 | 0 | 0 | 0 | 111.2 | I128 S129 L135 L136 | I128-F132 VanDerWaalsContact O-CB 3.27Å; I128-F132 WeakPolarHBondContact O-CB 3.43Å; I128-F132 PolarHBondContact O-N 3.19Å; S129-F132 PolarHBondContact O-N 2.8Å; F132-L135 PolarHBondContact O-N 2.7Å; F132-L136 HydrophobicContact CD1-CD1 3.59Å; F132-L136 HydrophobicContact CD1-CG 4.3Å; F132-L136 HydrophobicContact CE1-CD1 3.67Å; F132-L136 HydrophobicContact CE1-CG 4.29Å; F132-L136 WeakPolarHBondContact O-CB 3.29Å; F132-L136 WeakPolarHBondContact O-CG 2.91Å; F132-L136 PolarHBondContact O-N 3.28Å |
| 133 | S | 49.1 | Very low | 51.4 | Low | 60 Ų | 60 | 96.2 Ų | 96.2 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | S129 L130 L135 L136 V137 | S129-S133 WeakPolarHBondContact O-CB 3.42Å; S129-S133 PolarHBondContact O-N 2.66Å; L130-S133 PolarHBondContact O-N 3.49Å; S133-L135 PolarHBondContact O-N 3.01Å; S133-L136 PolarHBondContact O-N 3.45Å; S133-V137 VanDerWaalsContact O-CG2 3.3Å; S133-V137 WeakPolarHBondContact O-CG2 3.27Å; S133-V137 PolarHBondContact O-N 2.83Å |
| 134 | G | 48.3 | Very low | 51.4 | Low | 41 Ų | 41 | 99.2 Ų | 99.2 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L130 T131 V137 L138 | L130-G134 PolarHBondContact O-N 3.25Å; T131-G134 PolarHBondContact O-N 2.75Å; G134-V137 PolarHBondContact O-N 3.44Å; G134-L138 WeakPolarHBondContact O-CB 3.2Å; G134-L138 PolarHBondContact O-N 3.33Å |
| 135 | L | 51.9 | Low | 50.7 | Low | 49 Ų | 49 | 101 Ų | 101 | 26% | 0.257 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 172.9 | -77.3 | 161.2 | 0 | 0 | 0 | 111.7 | T131 F132 S133 L138 Q139 | T131-L135 HydrophobicContact CG2-CD1 3.93Å; T131-L135 WeakPolarHBondContact O-CB 3.08Å; T131-L135 WeakPolarHBondContact O-CD1 3.42Å; T131-L135 WeakPolarHBondContact O-CG 3.38Å; T131-L135 PolarHBondContact O-N 3.45Å; F132-L135 PolarHBondContact O-N 2.7Å; S133-L135 PolarHBondContact O-N 3.01Å; L135-L138 PolarHBondContact O-N 2.98Å; L135-Q139 WeakPolarHBondContact O-CB 3.48Å; L135-Q139 WeakPolarHBondContact O-CG 3.4Å; L135-Q139 PolarHBondContact O-N 3.4Å |
| 136 | L | 53.8 | Low | 50.1 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 39% | 0.387 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176 | -81 | 167.9 | 0 | 0 | 0 | 111.8 | F132 S133 L138 Q139 R140 | F132-L136 HydrophobicContact CD1-CD1 3.59Å; F132-L136 HydrophobicContact CD1-CG 4.3Å; F132-L136 HydrophobicContact CE1-CD1 3.67Å; F132-L136 HydrophobicContact CE1-CG 4.29Å; F132-L136 WeakPolarHBondContact O-CB 3.29Å; F132-L136 WeakPolarHBondContact O-CG 2.91Å; F132-L136 PolarHBondContact O-N 3.28Å; S133-L136 PolarHBondContact O-N 3.45Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.39Å; L136-Q139 PolarHBondContact O-N 3.12Å; L136-R140 WeakPolarHBondContact O-CB 3.47Å; L136-R140 WeakPolarHBondContact O-CG 3.42Å; L136-R140 PolarHBondContact O-N 3.4Å |
| 137 | V | 55 | Low | 49.4 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 176 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | S133 G134 Q139 R140 I141 | S133-V137 VanDerWaalsContact O-CG2 3.3Å; S133-V137 WeakPolarHBondContact O-CG2 3.27Å; S133-V137 PolarHBondContact O-N 2.83Å; G134-V137 PolarHBondContact O-N 3.44Å; V137-Q139 PolarHBondContact O-N 3.01Å; V137-R140 PolarHBondContact O-N 3.31Å; V137-I141 HydrophobicContact CG1-CD1 3.63Å; V137-I141 HydrophobicContact CG1-CG1 4.45Å; V137-I141 VanDerWaalsContact O-CG1 3.29Å; V137-I141 WeakPolarHBondContact O-CG1 3.27Å; V137-I141 PolarHBondContact O-N 3.03Å |
| 138 | L | 57.1 | Low | 48.9 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 64% | 0.644 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -37 | 177.9 | -158 | 69.5 | 0 | 0 | 0 | 112.4 | G134 L135 L136 R140 S142 | G134-L138 WeakPolarHBondContact O-CB 3.2Å; G134-L138 PolarHBondContact O-N 3.33Å; L135-L138 PolarHBondContact O-N 2.98Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.39Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-S142 WeakPolarHBondContact O-CB 3.43Å; L138-S142 PolarHBondContact O-N 3.16Å; L138-S142 VanDerWaalsContact O-N 3.11Å |
| 139 | Q | 52.7 | Low | 48.2 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.5 | -30 | 172.5 | -75.6 | -178.1 | -17.9 | 0 | 0 | 113.2 | L135 L136 V137 S142 | L135-Q139 WeakPolarHBondContact O-CB 3.48Å; L135-Q139 WeakPolarHBondContact O-CG 3.4Å; L135-Q139 PolarHBondContact O-N 3.4Å; L136-Q139 PolarHBondContact O-N 3.12Å; V137-Q139 PolarHBondContact O-N 3.01Å; Q139-S142 VanDerWaalsContact O-O 3.08Å |
| 140 | R | 53.7 | Low | 47.4 | Very low | 218 Ų | 218 | 115 Ų | 115 | 82% | 0.823 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.2 | -30.8 | 177 | -71.1 | -72 | -159.8 | 163 | 7.2 | 112.8 | L136 V137 L138 | L136-R140 WeakPolarHBondContact O-CB 3.47Å; L136-R140 WeakPolarHBondContact O-CG 3.42Å; L136-R140 PolarHBondContact O-N 3.4Å; V137-R140 PolarHBondContact O-N 3.31Å; L138-R140 VanDerWaalsContact C-N 3.34Å |
| 141 | I | 50.7 | Low | 46.5 | Very low | 124 Ų | 124 | 113 Ų | 113 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.9 | -21.6 | 177.2 | -64.1 | 166.7 | 0 | 0 | 0 | 111.5 | V137 P143 | V137-I141 HydrophobicContact CG1-CD1 3.63Å; V137-I141 HydrophobicContact CG1-CG1 4.45Å; V137-I141 VanDerWaalsContact O-CG1 3.29Å; V137-I141 WeakPolarHBondContact O-CG1 3.27Å; V137-I141 PolarHBondContact O-N 3.03Å; I141-P143 WeakPolarHBondContact O-CD 3.33Å |
| 142 | S | 44.4 | Very low | 45.4 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -87.2 | 90.1 | 167.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | L138 Q139 Q144 | L138-S142 WeakPolarHBondContact O-CB 3.43Å; L138-S142 PolarHBondContact O-N 3.16Å; L138-S142 VanDerWaalsContact O-N 3.11Å; Q139-S142 VanDerWaalsContact O-O 3.08Å; S142-Q144 PolarHBondContact O-N 2.92Å |
| 143 | P | 41.3 | Very low | 44.5 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 70% | 0.695 | 65% | 0.648 | S | S | * | * | trans | -71.2 | 133.6 | -178 | 3.2 | 17.5 | 0 | 0 | 0 | 107.8 | I141 | I141-P143 WeakPolarHBondContact O-CD 3.33Š| ||
| 144 | Q | 47.3 | Very low | 44 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | 35.4 | 103 | 163.6 | -88.8 | -157.2 | -86.5 | 0 | 0 | 116.2 | S142 | S142-Q144 PolarHBondContact O-N 2.92Š| ||
| 145 | D | 37.8 | Very low | 43.6 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | -152.6 | 142.3 | 126.2 | -120.1 | -36.6 | 0 | 0 | 0 | 112.8 | |||||
| 146 | R | 36.4 | Very low | 42.8 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | 83.2 | 67.7 | 171.1 | -55.2 | -89.5 | -90.6 | -149.6 | -17.5 | 116.1 | Q148 | R146-Q148 HydrophobicContact CB-CB 4.29Å; R146-Q148 VanDerWaalsContact CD-OE1 3.29Å; R146-Q148 PolarHBondContact O-N 3.06Å | ||
| 147 | H | 34.7 | Very low | 42.3 | Very low | 177 Ų | 177 | 143 Ų | 143 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | trans | -48.2 | 22.3 | 140.4 | -137 | -28.2 | 0 | 0 | 0 | 115.6 | ||||
| 148 | Q | 40.9 | Very low | 41.6 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 54% | 0.537 | 77% | 0.766 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115 | 34.6 | -157.4 | -85.1 | -166.7 | 2.1 | 0 | 0 | 117 | R146 | R146-Q148 HydrophobicContact CB-CB 4.29Å; R146-Q148 VanDerWaalsContact CD-OE1 3.29Å; R146-Q148 PolarHBondContact O-N 3.06Å |
| 149 | T | 38.3 | Very low | 40.7 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 6.6 | 164.9 | -44.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 150 | A | 34.5 | Very low | 40 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -115.7 | -3.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 151 | A | 35.5 | Very low | 39.2 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -139.2 | 13.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 152 | T | 35.8 | Very low | 38.4 | Very low | 124 Ų | 124 | 146 Ų | 146 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -133.6 | 32.1 | 179.4 | 63.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 153 | T | 36.3 | Very low | 38 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -125.4 | 44.8 | 158.9 | -38 | 0 | 0 | 0 | 0 | 109.3 | ||
| 154 | K | 37.8 | Very low | 37.7 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -133.3 | 123.4 | 153.5 | -70.2 | -173.8 | 176.4 | -178.7 | 0 | 103.6 | ||
| 155 | D | 39 | Very low | 37 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 74.9 | 84.5 | 169 | -39.5 | -49.9 | 0 | 0 | 0 | 115.7 | ||||
| 156 | E | 36.2 | Very low | 36.9 | Very low | 273 Ų | 273 | 151.9 Ų | 151.9 | 100% | 1.276 | 81% | 0.813 | S | S | * | * | 174.5 | 0 | 114 | -164.2 | 163.6 | 86.8 | 0 | 0 | 111.1 |
Retrieved 156 of 156 residues in 440.8 ms
(Link to these results)