| 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 | 45.5 | Very low | 48.8 | Very low | 233 Ų | 233 | 104.8 Ų | 104.8 | 100% | 1.148 | 66% | 0.661 | S | S | * | * | 0 | -162.1 | 0 | -64.8 | 87.7 | 93.9 | 0 | 0 | 109.3 | |||||
| 2 | S | 47.1 | Very low | 51.5 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | trans | 92.6 | 11.7 | 166.2 | -48.1 | 0 | 0 | 0 | 0 | 120.4 | A4 | S2-A4 PolarHBondContact O-N 2.72Š| ||
| 3 | S | 42.2 | Very low | 54.2 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.1 | -19 | 159.5 | -47.7 | 0 | 0 | 0 | 0 | 113 | V6 | S3-V6 WeakPolarHBondContact O-CG2 3.5Å |
| 4 | A | 47.5 | Very low | 57.1 | Low | 77 Ų | 77 | 103.1 Ų | 103.1 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.9 | -26.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S2 A7 A8 | S2-A4 PolarHBondContact O-N 2.72Å; A4-A7 PolarHBondContact O-N 2.93Å; A4-A8 PolarHBondContact O-N 3.01Å |
| 5 | A | 44.6 | Very low | 59.7 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.3 | -48.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A7 A8 | A5-A7 PolarHBondContact O-N 3.26Å; A5-A8 VanDerWaalsContact O-CB 3.3Å; A5-A8 WeakPolarHBondContact O-CB 3.47Å; A5-A8 PolarHBondContact O-N 3.13Å |
| 6 | V | 47.2 | Very low | 62.1 | Low | 116 Ų | 116 | 92.5 Ų | 92.5 | 70% | 0.703 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -28.4 | 176.5 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | S3 A8 | S3-V6 WeakPolarHBondContact O-CG2 3.5Å; V6-A8 VanDerWaalsContact C-N 3.26Å; V6-A8 PolarHBondContact O-N 3.26Å |
| 7 | A | 44.5 | Very low | 64.1 | Low | 46 Ų | 46 | 89.6 Ų | 89.6 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A4 A5 R11 | A4-A7 PolarHBondContact O-N 2.93Å; A5-A7 PolarHBondContact O-N 3.26Å; A7-R11 PolarHBondContact O-NE 3.45Å; A7-R11 PolarHBondContact O-NH2 3.32Å |
| 8 | A | 47 | Very low | 65.8 | Low | 49 Ų | 49 | 87.1 Ų | 87.1 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A4 A5 V6 S10 R11 | A4-A8 PolarHBondContact O-N 3.01Å; A5-A8 VanDerWaalsContact O-CB 3.3Å; A5-A8 WeakPolarHBondContact O-CB 3.47Å; A5-A8 PolarHBondContact O-N 3.13Å; V6-A8 VanDerWaalsContact C-N 3.26Å; V6-A8 PolarHBondContact O-N 3.26Å; A8-S10 PolarHBondContact O-N 3.36Å; A8-R11 WeakPolarHBondContact O-CB 3.28Å; A8-R11 WeakPolarHBondContact O-CG 3.33Å; A8-R11 PolarHBondContact O-N 3.33Å |
| 9 | S | 49 | Very low | 67.4 | Low | 102 Ų | 102 | 86.4 Ų | 86.4 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.8 | -174.4 | -48.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 10 | S | 55.8 | Low | 68.7 | Low | 110 Ų | 110 | 86.9 Ų | 86.9 | 77% | 0.769 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -6.2 | 175.3 | -163.7 | 0 | 0 | 0 | 0 | 113.5 | A8 R12 | A8-S10 PolarHBondContact O-N 3.36Å; S10-R12 PolarHBondContact O-N 3.45Å |
| 11 | R | 66.2 | Low | 70 | Confident | 157 Ų | 157 | 86.3 Ų | 86.3 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 116.1 | -176.4 | -61.6 | 179.9 | -161.2 | -125.2 | -7.9 | 110.4 | A7 A8 Q13 | A7-R11 PolarHBondContact O-NE 3.45Å; A7-R11 PolarHBondContact O-NH2 3.32Å; A8-R11 WeakPolarHBondContact O-CB 3.28Å; A8-R11 WeakPolarHBondContact O-CG 3.33Å; A8-R11 PolarHBondContact O-N 3.33Å; R11-Q13 PolarHBondContact O-NE2 3.44Å |
| 12 | R | 81.3 | Confident | 72.2 | Confident | 152 Ų | 152 | 78.6 Ų | 78.6 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 137.7 | 167.4 | -65.9 | 171.7 | -176.6 | -99.1 | -6.5 | 109.3 | S10 P21 R22 M23 | S10-R12 PolarHBondContact O-N 3.45Å; R12-P21 HydrophobicContact CB-CB 4.01Å; R12-R22 VanDerWaalsContact CA-O 3.28Å; R12-R22 WeakPolarHBondContact CA-O 3.14Å; R12-R22 WeakPolarHBondContact CB-O 3.34Å; R12-M23 HydrophobicContact CG-SD 4.29Å; R12-M23 VanDerWaalsContact CZ-SD 3.51Å |
| 13 | Q | 87.1 | Confident | 74.4 | Confident | 78 Ų | 78 | 77.3 Ų | 77.3 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.3 | 179.3 | -57.8 | -60 | -50.6 | 0 | 0 | 108.5 | R11 R22 M27 W29 | R11-Q13 PolarHBondContact O-NE2 3.44Å; Q13-R22 PolarHBondContact N-O 2.97Å; Q13-R22 VanDerWaalsContact N-O 3.11Å; Q13-R22 PolarHBondContact O-N 3.27Å; Q13-M27 HydrophobicContact CB-CG 4.48Å; Q13-W29 HydrophobicContact CB-CH2 4.21Å; Q13-W29 HydrophobicContact CB-CZ2 4.36Å; Q13-W29 HydrophobicContact CG-CH2 3.94Å; Q13-W29 HydrophobicContact CG-CZ2 4.11Å |
| 14 | S | 94.8 | Very high | 76.7 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 142.8 | 176.8 | -74.5 | 0 | 0 | 0 | 0 | 111.1 | D19 L20 | S14-D19 WeakPolarHBondContact CB-O 3.46Å; S14-D19 PolarHBondContact OG-O 3.4Å; S14-L20 WeakPolarHBondContact CA-O 3.43Å |
| 15 | C | 96.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 44% | 0.44 | C | S | . | . | trans | -88.4 | 115.7 | 177.9 | 166 | 0 | 0 | 0 | 0 | 110.9 | L17 C18 D19 L20 M27 C36 | C15-L17 PolarHBondContact O-N 2.98Å; C15-C18 CarbonylContact O-C 3.57Å; C15-C18 PolarHBondContact O-N 2.93Å; C15-D19 WeakPolarHBondContact O-CA 3.42Å; C15-D19 PolarHBondContact O-N 3.29Å; C15-L20 PolarHBondContact N-O 2.97Å; C15-L20 VanDerWaalsContact N-O 3.16Å; C15-M27 HydrophobicContact CB-CE 3.99Å; C15-M27 HydrophobicContact CB-SD 4.08Å; C15-C36 HydrophobicContact CB-CB 3.96Å; C15-C36 PolarHBondContact SG-N 3.1Å | ||
| 16 | Y | 96.8 | Very high | 81.2 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -32.8 | -169.7 | -172.7 | -94 | 0 | 0 | 0 | 116.9 | E33 P34 I52 A55 R56 K59 | Y16-E33 HydrophobicContact CD1-CB 3.92Å; Y16-E33 HydrophobicContact CD1-CG 3.75Å; Y16-E33 HydrophobicContact CD2-CB 3.85Å; Y16-E33 HydrophobicContact CD2-CG 3.61Å; Y16-E33 WeakPolarHBondContact CD2-OE2 3.48Å; Y16-E33 HydrophobicContact CE1-CG 3.9Å; Y16-E33 HydrophobicContact CE2-CB 4.49Å; Y16-E33 VanDerWaalsContact CE2-CD 3.46Å; Y16-E33 HydrophobicContact CE2-CG 3.76Å; Y16-E33 HydrophobicContact CG-CB 3.53Å; Y16-E33 HydrophobicContact CG-CG 3.61Å; Y16-P34 PolarHBondContact N-O 3Å; Y16-I52 HydrophobicContact CD1-CG2 4.5Å; Y16-I52 HydrophobicContact CE1-CG2 4.45Å; Y16-A55 HydrophobicContact CE1-CB 4.15Å; Y16-R56 HydrophobicContact CE1-CB 4.49Å; Y16-R56 VanDerWaalsContact OH-CA 3.28Å; Y16-R56 WeakPolarHBondContact OH-CA 3.17Å; Y16-R56 WeakPolarHBondContact OH-CB 3.26Å; Y16-R56 WeakPolarHBondContact OH-CG 3.46Å; Y16-K59 PolarHBondContact O-NZ 2.98Å |
| 17 | L | 96.3 | Very high | 83.6 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17.3 | -178.3 | -65.9 | 179.9 | 0 | 0 | 0 | 115.5 | C15 V35 C39 I48 V51 I52 A55 | C15-L17 PolarHBondContact O-N 2.98Å; L17-V35 HydrophobicContact CD1-CG1 3.93Å; L17-V35 HydrophobicContact CD1-CG2 4.11Å; L17-V35 HydrophobicContact CG-CG1 4.44Å; L17-V35 HydrophobicContact CG-CG2 4Å; L17-C39 HydrophobicContact CD1-CB 4.3Å; L17-I48 HydrophobicContact CD1-CD1 3.43Å; L17-I48 VanDerWaalsContact CD1-CD1 3.43Å; L17-I48 HydrophobicContact CD1-CG1 3.96Å; L17-V51 HydrophobicContact CD1-CG1 3.94Å; L17-V51 HydrophobicContact CD2-CG1 3.95Å; L17-I52 HydrophobicContact CD1-CG1 4.27Å; L17-I52 HydrophobicContact CD2-CG1 4.26Å; L17-I52 HydrophobicContact CG-CG1 4.31Å; L17-A55 HydrophobicContact CD2-CB 3.63Å |
| 18 | C | 95.6 | Very high | 86 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 2.2 | 179.5 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | C15 L20 R22 | C15-C18 CarbonylContact O-C 3.57Å; C15-C18 PolarHBondContact O-N 2.93Å; C18-L20 HydrophobicContact CB-CD1 4.37Å; C18-L20 WeakPolarHBondContact O-CG 3.31Å; C18-L20 PolarHBondContact O-N 3.43Å; C18-R22 PolarHBondContact SG-NH2 3.36Å |
| 19 | D | 94.9 | Very high | 88.3 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | trans | 48.9 | 3.8 | -179.4 | -60.1 | -42.6 | 0 | 0 | 0 | 116.9 | S14 C15 K59 | S14-D19 WeakPolarHBondContact CB-O 3.46Å; S14-D19 PolarHBondContact OG-O 3.4Å; C15-D19 WeakPolarHBondContact O-CA 3.42Å; C15-D19 PolarHBondContact O-N 3.29Å; D19-K59 VanDerWaalsContact CG-NZ 3.26Å; D19-K59 IonicContact OD1-NZ 3.3Å; D19-K59 PolarHBondContact OD1-NZ 3.43Å; D19-K59 IonicContact OD2-NZ 2.71Å; D19-K59 PolarHBondContact OD2-NZ 3.48Å | ||
| 20 | L | 95.3 | Very high | 90.5 | Very high | 97 Ų | 97 | 78.8 Ų | 78.8 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | trans | -68.9 | 132.2 | 178.3 | -77.1 | 162.6 | 0 | 0 | 0 | 112.4 | S14 C15 C18 R22 | S14-L20 WeakPolarHBondContact CA-O 3.43Å; C15-L20 PolarHBondContact N-O 2.97Å; C15-L20 VanDerWaalsContact N-O 3.16Å; C18-L20 HydrophobicContact CB-CD1 4.37Å; C18-L20 WeakPolarHBondContact O-CG 3.31Å; C18-L20 PolarHBondContact O-N 3.43Å; L20-R22 PolarHBondContact O-N 2.87Å | ||
| 21 | P | 94.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 75.9 Ų | 75.9 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.5 | -179.6 | 30.4 | -34.8 | 0 | 0 | 0 | 111.9 | R12 | R12-P21 HydrophobicContact CB-CB 4.01Å |
| 22 | R | 92.9 | Very high | 93.8 | Very high | 71 Ų | 71 | 72.4 Ų | 72.4 | 27% | 0.268 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.9 | -172 | -69 | 171.4 | -171.2 | -98 | 8 | 112.6 | R12 Q13 C18 L20 A26 M27 C36 | R12-R22 VanDerWaalsContact CA-O 3.28Å; R12-R22 WeakPolarHBondContact CA-O 3.14Å; R12-R22 WeakPolarHBondContact CB-O 3.34Å; Q13-R22 PolarHBondContact N-O 2.97Å; Q13-R22 VanDerWaalsContact N-O 3.11Å; Q13-R22 PolarHBondContact O-N 3.27Å; C18-R22 PolarHBondContact SG-NH2 3.36Å; L20-R22 PolarHBondContact O-N 2.87Å; R22-A26 HydrophobicContact CB-CB 4.38Å; R22-M27 HydrophobicContact CB-CG 4.35Å; R22-M27 HydrophobicContact CB-SD 3.83Å; R22-C36 PolarHBondContact NE-SG 2.92Å |
| 23 | M | 93.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | trans | -70.5 | 147.5 | 174.3 | -62.6 | -59 | -66.9 | 0 | 0 | 110 | R12 W25 A26 | R12-M23 HydrophobicContact CG-SD 4.29Å; R12-M23 VanDerWaalsContact CZ-SD 3.51Å; M23-W25 HydrophobicContact CB-CD2 4.15Å; M23-W25 HydrophobicContact CB-CG 4.16Å; M23-W25 HydrophobicContact CB-CZ2 4.12Å; M23-W25 VanDerWaalsContact CB-NE1 3.3Å; M23-W25 HydrophobicContact CG-CZ2 4.13Å; M23-W25 PolarHBondContact O-N 3.45Å; M23-W25 VanDerWaalsContact O-N 3.14Å; M23-A26 WeakPolarHBondContact O-CB 3.28Å; M23-A26 PolarHBondContact O-N 3.48Å | ||
| 24 | P | 90.4 | Very high | 95 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -53.2 | -36.8 | -179.4 | -29.7 | 36.4 | 0 | 0 | 0 | 114.5 | A26 M27 | P24-A26 PolarHBondContact O-N 3.5Å; P24-M27 PolarHBondContact O-N 3.44Å |
| 25 | W | 91.8 | Very high | 95.1 | Very high | 182 Ų | 182 | 62.5 Ų | 62.5 | 69% | 0.689 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -66.9 | -18.4 | 177.2 | 60.6 | -108.1 | 0 | 0 | 0 | 114.8 | M23 R37 | M23-W25 HydrophobicContact CB-CD2 4.15Å; M23-W25 HydrophobicContact CB-CG 4.16Å; M23-W25 HydrophobicContact CB-CZ2 4.12Å; M23-W25 VanDerWaalsContact CB-NE1 3.3Å; M23-W25 HydrophobicContact CG-CZ2 4.13Å; M23-W25 PolarHBondContact O-N 3.45Å; M23-W25 VanDerWaalsContact O-N 3.14Å; W25-R37 PolarHBondContact O-NE 3.44Å |
| 26 | A | 95.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -93.4 | -6.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R22 M23 P24 C36 R37 | R22-A26 HydrophobicContact CB-CB 4.38Å; M23-A26 WeakPolarHBondContact O-CB 3.28Å; M23-A26 PolarHBondContact O-N 3.48Å; P24-A26 PolarHBondContact O-N 3.5Å; A26-C36 VanDerWaalsContact O-CA 3.29Å; A26-C36 WeakPolarHBondContact O-CA 3.49Å; A26-C36 WeakPolarHBondContact O-CB 3.37Å; A26-R37 PolarHBondContact O-N 3.47Å |
| 27 | M | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 147.5 | 178.1 | -64.5 | -54.9 | -66.9 | 0 | 0 | 110.8 | Q13 C15 R22 P24 W29 P34 C36 | Q13-M27 HydrophobicContact CB-CG 4.48Å; C15-M27 HydrophobicContact CB-CE 3.99Å; C15-M27 HydrophobicContact CB-SD 4.08Å; R22-M27 HydrophobicContact CB-CG 4.35Å; R22-M27 HydrophobicContact CB-SD 3.83Å; P24-M27 PolarHBondContact O-N 3.44Å; M27-W29 HydrophobicContact CB-CZ2 4.09Å; M27-P34 VanDerWaalsContact CE-C 3.43Å; M27-P34 HydrophobicContact CE-CB 3.81Å; M27-P34 WeakPolarHBondContact CE-O 3.42Å; M27-C36 HydrophobicContact SD-CB 3.86Å |
| 28 | I | 95.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.8 | 172.1 | -64 | 164.3 | 0 | 0 | 0 | 106.6 | D30 F31 V35 R37 V40 | I28-D30 HydrophobicContact CG2-CB 4.15Å; I28-D30 VanDerWaalsContact CG2-OD2 3.23Å; I28-D30 WeakPolarHBondContact CG2-OD2 3.47Å; I28-F31 HydrophobicContact CB-CE2 4.3Å; I28-F31 HydrophobicContact CG2-CD2 3.82Å; I28-F31 HydrophobicContact CG2-CE2 3.51Å; I28-F31 HydrophobicContact CG2-CZ 4.49Å; I28-V35 WeakPolarHBondContact CA-O 3.29Å; I28-V35 WeakPolarHBondContact CB-O 3.49Å; I28-V35 PolarHBondContact N-O 3.07Å; I28-V35 PolarHBondContact O-N 3.42Å; I28-V35 VanDerWaalsContact O-O 3.12Å; I28-R37 HydrophobicContact CD1-CB 4.41Å; I28-R37 HydrophobicContact CD1-CG 3.75Å; I28-R37 HydrophobicContact CG1-CG 3.97Å; I28-V40 HydrophobicContact CD1-CB 4.05Å; I28-V40 HydrophobicContact CD1-CG1 4.21Å; I28-V40 HydrophobicContact CD1-CG2 3.75Å |
| 29 | W | 95.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 66.5 Ų | 66.5 | 55% | 0.549 | 34% | 0.335 | S | S | . | . | trans | -124.6 | 8.2 | -170.9 | -57.2 | 86.6 | 0 | 0 | 0 | 112.4 | Q13 M27 F31 P34 | Q13-W29 HydrophobicContact CB-CH2 4.21Å; Q13-W29 HydrophobicContact CB-CZ2 4.36Å; Q13-W29 HydrophobicContact CG-CH2 3.94Å; Q13-W29 HydrophobicContact CG-CZ2 4.11Å; M27-W29 HydrophobicContact CB-CZ2 4.09Å; W29-F31 VanDerWaalsContact C-N 3.26Å; W29-F31 PolarHBondContact O-N 2.8Å; W29-P34 HydrophobicContact CE3-CB 3.89Å; W29-P34 HydrophobicContact CH2-CB 4.05Å; W29-P34 HydrophobicContact CZ3-CB 3.64Å; W29-P34 HydrophobicContact CZ3-CG 4.35Å | ||
| 30 | D | 95.8 | Very high | 95.4 | Very high | 143 Ų | 143 | 63.7 Ų | 63.7 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -87.8 | 7.4 | -173.4 | -45.5 | -49.6 | 0 | 0 | 0 | 112.9 | I28 | I28-D30 HydrophobicContact CG2-CB 4.15Å; I28-D30 VanDerWaalsContact CG2-OD2 3.23Å; I28-D30 WeakPolarHBondContact CG2-OD2 3.47Å |
| 31 | F | 95.1 | Very high | 95.5 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -122.7 | 166 | -177.8 | -54.6 | -63 | 0 | 0 | 0 | 110.1 | I28 W29 E33 V40 I48 E49 I52 | I28-F31 HydrophobicContact CB-CE2 4.3Å; I28-F31 HydrophobicContact CG2-CD2 3.82Å; I28-F31 HydrophobicContact CG2-CE2 3.51Å; I28-F31 HydrophobicContact CG2-CZ 4.49Å; W29-F31 VanDerWaalsContact C-N 3.26Å; W29-F31 PolarHBondContact O-N 2.8Å; F31-E33 PolarHBondContact O-N 2.84Å; F31-V40 HydrophobicContact CD2-CG2 4.41Å; F31-V40 HydrophobicContact CE2-CG2 3.7Å; F31-V40 HydrophobicContact CZ-CG2 4.41Å; F31-I48 HydrophobicContact CD1-CG2 3.46Å; F31-I48 VanDerWaalsContact CD1-CG2 3.46Å; F31-I48 HydrophobicContact CD2-CG2 3.85Å; F31-I48 HydrophobicContact CE1-CG2 3.33Å; F31-I48 HydrophobicContact CE2-CG2 3.73Å; F31-I48 HydrophobicContact CG-CG2 3.72Å; F31-I48 HydrophobicContact CZ-CG2 3.49Å; F31-I48 VanDerWaalsContact CZ-CG2 3.49Å; F31-E49 VanDerWaalsContact CA-OE2 3.25Å; F31-E49 WeakPolarHBondContact CA-OE2 3.4Å; F31-E49 WeakPolarHBondContact CB-OE2 3.34Å; F31-I52 HydrophobicContact CB-CD1 3.69Å; F31-I52 HydrophobicContact CG-CD1 4.41Å |
| 32 | T | 96.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 71.2 Ų | 71.2 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -69.6 | -5.1 | -175.3 | 71.6 | 0 | 0 | 0 | 0 | 115.4 | E49 R56 | T32-E49 VanDerWaalsContact CB-OE1 3.27Å; T32-E49 WeakPolarHBondContact CB-OE1 3.36Å; T32-E49 WeakPolarHBondContact CG2-OE1 3.25Å; T32-E49 PolarHBondContact N-OE1 3.33Å; T32-E49 PolarHBondContact N-OE2 3.17Å; T32-E49 PolarHBondContact OG1-OE1 2.98Å; T32-R56 PolarHBondContact O-NH2 2.62Å; T32-R56 VanDerWaalsContact O-NH2 3.15Å; T32-R56 PolarHBondContact OG1-NH1 2.93Å; T32-R56 VanDerWaalsContact OG1-NH1 3.16Å; T32-R56 PolarHBondContact OG1-NH2 3.36Å |
| 33 | E | 96.2 | Very high | 95.9 | Very high | 48 Ų | 48 | 71.1 Ų | 71.1 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -138.2 | 153.1 | 168.2 | -63.5 | -68.1 | 168.4 | 0 | 0 | 110.3 | Y16 F31 V35 I52 R56 | Y16-E33 HydrophobicContact CD1-CB 3.92Å; Y16-E33 HydrophobicContact CD1-CG 3.75Å; Y16-E33 HydrophobicContact CD2-CB 3.85Å; Y16-E33 HydrophobicContact CD2-CG 3.61Å; Y16-E33 WeakPolarHBondContact CD2-OE2 3.48Å; Y16-E33 HydrophobicContact CE1-CG 3.9Å; Y16-E33 HydrophobicContact CE2-CB 4.49Å; Y16-E33 VanDerWaalsContact CE2-CD 3.46Å; Y16-E33 HydrophobicContact CE2-CG 3.76Å; Y16-E33 HydrophobicContact CG-CB 3.53Å; Y16-E33 HydrophobicContact CG-CG 3.61Å; F31-E33 PolarHBondContact O-N 2.84Å; E33-V35 PolarHBondContact O-N 2.99Å; E33-V35 VanDerWaalsContact O-N 3.13Å; E33-I52 HydrophobicContact CB-CD1 4.4Å; E33-I52 HydrophobicContact CB-CG1 4.47Å; E33-I52 HydrophobicContact CB-CG2 3.89Å; E33-I52 HydrophobicContact CG-CG2 3.44Å; E33-I52 VanDerWaalsContact CG-CG2 3.44Å; E33-R56 VanDerWaalsContact CD-NH2 3.34Å; E33-R56 VanDerWaalsContact CG-NH2 3.28Å; E33-R56 IonicContact OE1-CZ 3.1Å; E33-R56 VanDerWaalsContact OE1-CZ 3.3Å; E33-R56 IonicContact OE1-NE 2.7Å; E33-R56 PolarHBondContact OE1-NE 2.8Å; E33-R56 IonicContact OE1-NH2 3.82Å; E33-R56 PolarHBondContact OE1-NH2 2.81Å |
| 34 | P | 95.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 69 Ų | 69 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | trans | -68.1 | 111.2 | 175.8 | 28.2 | -34.8 | 0 | 0 | 0 | 111.2 | Y16 M27 W29 | Y16-P34 PolarHBondContact N-O 3Å; M27-P34 VanDerWaalsContact CE-C 3.43Å; M27-P34 HydrophobicContact CE-CB 3.81Å; M27-P34 WeakPolarHBondContact CE-O 3.42Å; W29-P34 HydrophobicContact CE3-CB 3.89Å; W29-P34 HydrophobicContact CH2-CB 4.05Å; W29-P34 HydrophobicContact CZ3-CB 3.64Å; W29-P34 HydrophobicContact CZ3-CG 4.35Å | ||
| 35 | V | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.5 | -177.8 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | L17 I28 E33 C39 V40 I48 I52 | L17-V35 HydrophobicContact CD1-CG1 3.93Å; L17-V35 HydrophobicContact CD1-CG2 4.11Å; L17-V35 HydrophobicContact CG-CG1 4.44Å; L17-V35 HydrophobicContact CG-CG2 4Å; I28-V35 WeakPolarHBondContact CA-O 3.29Å; I28-V35 WeakPolarHBondContact CB-O 3.49Å; I28-V35 PolarHBondContact N-O 3.07Å; I28-V35 PolarHBondContact O-N 3.42Å; I28-V35 VanDerWaalsContact O-O 3.12Å; E33-V35 PolarHBondContact O-N 2.99Å; E33-V35 VanDerWaalsContact O-N 3.13Å; V35-C39 HydrophobicContact CG1-CB 3.63Å; V35-V40 HydrophobicContact CG1-CG2 4.08Å; V35-I48 HydrophobicContact CG1-CD1 4.06Å; V35-I48 HydrophobicContact CG1-CG1 3.94Å; V35-I52 HydrophobicContact CG2-CD1 3.68Å; V35-I52 HydrophobicContact CG2-CG1 3.86Å |
| 36 | C | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 156.3 | -176.2 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | C15 R22 A26 M27 G38 C39 V40 | C15-C36 HydrophobicContact CB-CB 3.96Å; C15-C36 PolarHBondContact SG-N 3.1Å; R22-C36 PolarHBondContact NE-SG 2.92Å; A26-C36 VanDerWaalsContact O-CA 3.29Å; A26-C36 WeakPolarHBondContact O-CA 3.49Å; A26-C36 WeakPolarHBondContact O-CB 3.37Å; M27-C36 HydrophobicContact SD-CB 3.86Å; C36-G38 PolarHBondContact O-N 3.23Å; C36-G38 PolarHBondContact SG-N 3.5Å; C36-C39 PolarHBondContact O-N 3.37Å; C36-C39 PolarHBondContact SG-N 3.31Å; C36-V40 PolarHBondContact O-N 3.48Å; C36-V40 VanDerWaalsContact O-N 3.08Å |
| 37 | R | 97.6 | Very high | 96.6 | Very high | 146 Ų | 146 | 75 Ų | 75 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -49.3 | -34.3 | 171.4 | -66.4 | -179.3 | -179.6 | -155 | -2.8 | 113 | W25 A26 I28 N41 | W25-R37 PolarHBondContact O-NE 3.44Å; A26-R37 PolarHBondContact O-N 3.47Å; I28-R37 HydrophobicContact CD1-CB 4.41Å; I28-R37 HydrophobicContact CD1-CG 3.75Å; I28-R37 HydrophobicContact CG1-CG 3.97Å; R37-N41 VanDerWaalsContact O-CB 3.25Å; R37-N41 WeakPolarHBondContact O-CB 3.44Å; R37-N41 PolarHBondContact O-N 2.93Å; R37-N41 PolarHBondContact O-OD1 3.28Å |
| 38 | G | 97.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C36 Y42 | C36-G38 PolarHBondContact O-N 3.23Å; C36-G38 PolarHBondContact SG-N 3.5Å; G38-Y42 WeakPolarHBondContact O-CB 3.36Å; G38-Y42 PolarHBondContact O-N 2.77Å |
| 39 | C | 97.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 14% | 0.135 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.6 | -40.8 | 176.9 | -65 | 0 | 0 | 0 | 0 | 111 | L17 V35 C36 N41 Y42 E43 I48 | L17-C39 HydrophobicContact CD1-CB 4.3Å; V35-C39 HydrophobicContact CG1-CB 3.63Å; C36-C39 PolarHBondContact O-N 3.37Å; C36-C39 PolarHBondContact SG-N 3.31Å; C39-N41 VanDerWaalsContact C-N 3.31Å; C39-N41 PolarHBondContact O-N 2.79Å; C39-Y42 PolarHBondContact O-N 2.99Å; C39-Y42 VanDerWaalsContact O-N 3.08Å; C39-E43 PolarHBondContact O-N 3.35Å; C39-I48 HydrophobicContact CB-CD1 4.22Å |
| 40 | V | 97.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 76.7 Ų | 76.7 | 9% | 0.085 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -40.4 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | I28 F31 V35 C36 Y42 G44 A45 I48 | I28-V40 HydrophobicContact CD1-CB 4.05Å; I28-V40 HydrophobicContact CD1-CG1 4.21Å; I28-V40 HydrophobicContact CD1-CG2 3.75Å; F31-V40 HydrophobicContact CD2-CG2 4.41Å; F31-V40 HydrophobicContact CE2-CG2 3.7Å; F31-V40 HydrophobicContact CZ-CG2 4.41Å; V35-V40 HydrophobicContact CG1-CG2 4.08Å; C36-V40 PolarHBondContact O-N 3.48Å; C36-V40 VanDerWaalsContact O-N 3.08Å; V40-Y42 VanDerWaalsContact C-N 3.3Å; V40-Y42 PolarHBondContact O-N 3.45Å; V40-G44 CarbonylContact O-C 3.58Å; V40-G44 WeakPolarHBondContact O-CA 3.46Å; V40-G44 PolarHBondContact O-N 2.83Å; V40-A45 HydrophobicContact CG1-CB 4.08Å; V40-I48 HydrophobicContact CG2-CD1 4.37Å; V40-I48 HydrophobicContact CG2-CG1 4.04Å |
| 41 | N | 97.6 | Very high | 96.9 | Very high | 138 Ų | 138 | 71.5 Ų | 71.5 | 74% | 0.738 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.1 | -19.1 | 176 | -71 | 9 | 0 | 0 | 0 | 114.1 | R37 C39 | R37-N41 VanDerWaalsContact O-CB 3.25Å; R37-N41 WeakPolarHBondContact O-CB 3.44Å; R37-N41 PolarHBondContact O-N 2.93Å; R37-N41 PolarHBondContact O-OD1 3.28Å; C39-N41 VanDerWaalsContact C-N 3.31Å; C39-N41 PolarHBondContact O-N 2.79Å |
| 42 | Y | 97.6 | Very high | 97.1 | Very high | 192 Ų | 192 | 69.1 Ų | 69.1 | 75% | 0.753 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -92.5 | -46.6 | -178.5 | -177.3 | -97.9 | 0 | 0 | 0 | 112 | G38 C39 V40 | G38-Y42 WeakPolarHBondContact O-CB 3.36Å; G38-Y42 PolarHBondContact O-N 2.77Å; C39-Y42 PolarHBondContact O-N 2.99Å; C39-Y42 VanDerWaalsContact O-N 3.08Å; V40-Y42 VanDerWaalsContact C-N 3.3Å; V40-Y42 PolarHBondContact O-N 3.45Å |
| 43 | E | 97.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81.7 | -29.6 | 177.8 | -60.5 | -61.2 | 150.1 | 0 | 0 | 112.8 | C39 R47 I48 V51 | C39-E43 PolarHBondContact O-N 3.35Å; E43-R47 WeakPolarHBondContact O-CD 3.42Å; E43-I48 HydrophobicContact CB-CD1 3.77Å; E43-I48 HydrophobicContact CG-CD1 3.84Å; E43-V51 HydrophobicContact CB-CG2 4.38Å; E43-V51 HydrophobicContact CG-CG1 4.29Å; E43-V51 HydrophobicContact CG-CG2 4.19Å |
| 44 | G | 96.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | trans | 93.7 | 141.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V40 D46 R47 I48 | V40-G44 CarbonylContact O-C 3.58Å; V40-G44 WeakPolarHBondContact O-CA 3.46Å; V40-G44 PolarHBondContact O-N 2.83Å; G44-D46 VanDerWaalsContact C-N 3.33Å; G44-D46 PolarHBondContact O-N 3.47Å; G44-R47 PolarHBondContact O-N 3.1Å; G44-R47 VanDerWaalsContact O-N 3.12Å; G44-I48 PolarHBondContact O-N 3.48Å; G44-I48 VanDerWaalsContact O-N 3.08Å | ||
| 45 | A | 95.6 | Very high | 97.1 | Very high | 52 Ų | 52 | 68 Ų | 68 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V40 R47 I48 | V40-A45 HydrophobicContact CG1-CB 4.08Å; A45-R47 PolarHBondContact O-N 3.38Å; A45-I48 WeakPolarHBondContact O-CG2 3.41Å |
| 46 | D | 96.3 | Very high | 97 | Very high | 162 Ų | 162 | 70 Ų | 70 | 87% | 0.866 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.1 | -17.6 | 179.5 | -44.8 | -95.6 | 0 | 0 | 0 | 113.4 | G44 | G44-D46 VanDerWaalsContact C-N 3.33Å; G44-D46 PolarHBondContact O-N 3.47Å |
| 47 | R | 96.6 | Very high | 96.9 | Very high | 173 Ų | 173 | 75 Ų | 75 | 65% | 0.653 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -104.1 | -24.3 | -177.1 | -64.8 | -175.2 | 179.2 | 172.8 | -0.4 | 113.4 | E43 G44 A45 E49 F50 V51 | E43-R47 WeakPolarHBondContact O-CD 3.42Å; G44-R47 PolarHBondContact O-N 3.1Å; G44-R47 VanDerWaalsContact O-N 3.12Å; A45-R47 PolarHBondContact O-N 3.38Å; R47-E49 PolarHBondContact O-N 3.48Å; R47-E49 VanDerWaalsContact O-N 3.14Å; R47-F50 PolarHBondContact O-N 3.28Å; R47-V51 WeakPolarHBondContact O-CG2 3.3Å; R47-V51 PolarHBondContact O-N 2.92Å |
| 48 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.2 | -34.6 | -169.2 | -157 | 74 | 0 | 0 | 0 | 112.8 | L17 F31 V35 C39 V40 E43 G44 A45 V51 I52 | L17-I48 HydrophobicContact CD1-CD1 3.43Å; L17-I48 VanDerWaalsContact CD1-CD1 3.43Å; L17-I48 HydrophobicContact CD1-CG1 3.96Å; F31-I48 HydrophobicContact CD1-CG2 3.46Å; F31-I48 VanDerWaalsContact CD1-CG2 3.46Å; F31-I48 HydrophobicContact CD2-CG2 3.85Å; F31-I48 HydrophobicContact CE1-CG2 3.33Å; F31-I48 HydrophobicContact CE2-CG2 3.73Å; F31-I48 HydrophobicContact CG-CG2 3.72Å; F31-I48 HydrophobicContact CZ-CG2 3.49Å; F31-I48 VanDerWaalsContact CZ-CG2 3.49Å; V35-I48 HydrophobicContact CG1-CD1 4.06Å; V35-I48 HydrophobicContact CG1-CG1 3.94Å; C39-I48 HydrophobicContact CB-CD1 4.22Å; V40-I48 HydrophobicContact CG2-CD1 4.37Å; V40-I48 HydrophobicContact CG2-CG1 4.04Å; E43-I48 HydrophobicContact CB-CD1 3.77Å; E43-I48 HydrophobicContact CG-CD1 3.84Å; G44-I48 PolarHBondContact O-N 3.48Å; G44-I48 VanDerWaalsContact O-N 3.08Å; A45-I48 WeakPolarHBondContact O-CG2 3.41Å; I48-V51 CarbonylContact O-C 3.47Å; I48-V51 PolarHBondContact O-N 3.13Å; I48-I52 HydrophobicContact CG1-CD1 4.4Å; I48-I52 WeakPolarHBondContact O-CB 3.47Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 2.98Å |
| 49 | E | 97 | Very high | 96.3 | Very high | 62 Ų | 62 | 73.8 Ų | 73.8 | 29% | 0.29 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 178.5 | -165.8 | 58.9 | -114.5 | 0 | 0 | 112.4 | F31 T32 R47 I52 E53 | F31-E49 VanDerWaalsContact CA-OE2 3.25Å; F31-E49 WeakPolarHBondContact CA-OE2 3.4Å; F31-E49 WeakPolarHBondContact CB-OE2 3.34Å; T32-E49 VanDerWaalsContact CB-OE1 3.27Å; T32-E49 WeakPolarHBondContact CB-OE1 3.36Å; T32-E49 WeakPolarHBondContact CG2-OE1 3.25Å; T32-E49 PolarHBondContact N-OE1 3.33Å; T32-E49 PolarHBondContact N-OE2 3.17Å; T32-E49 PolarHBondContact OG1-OE1 2.98Å; R47-E49 PolarHBondContact O-N 3.48Å; R47-E49 VanDerWaalsContact O-N 3.14Å; E49-I52 PolarHBondContact O-N 2.95Å; E49-E53 PolarHBondContact O-N 3.18Å |
| 50 | F | 97.9 | Very high | 96 | Very high | 157 Ų | 157 | 79.9 Ų | 79.9 | 69% | 0.689 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.7 | -37.6 | 172.4 | 179.4 | -95.5 | 0 | 0 | 0 | 111.8 | R47 I52 E53 T54 | R47-F50 PolarHBondContact O-N 3.28Å; F50-I52 VanDerWaalsContact C-N 3.34Å; F50-E53 PolarHBondContact O-N 2.88Å; F50-T54 WeakPolarHBondContact O-CB 3.3Å; F50-T54 PolarHBondContact O-N 3.3Å; F50-T54 PolarHBondContact O-OG1 2.98Å |
| 51 | V | 97.7 | Very high | 95.4 | Very high | 33 Ų | 33 | 83.6 Ų | 83.6 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 174.7 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L17 E43 R47 I48 T54 A55 | L17-V51 HydrophobicContact CD1-CG1 3.94Å; L17-V51 HydrophobicContact CD2-CG1 3.95Å; E43-V51 HydrophobicContact CB-CG2 4.38Å; E43-V51 HydrophobicContact CG-CG1 4.29Å; E43-V51 HydrophobicContact CG-CG2 4.19Å; R47-V51 WeakPolarHBondContact O-CG2 3.3Å; R47-V51 PolarHBondContact O-N 2.92Å; I48-V51 CarbonylContact O-C 3.47Å; I48-V51 PolarHBondContact O-N 3.13Å; V51-T54 PolarHBondContact O-N 3.35Å; V51-A55 VanDerWaalsContact O-CB 3.27Å; V51-A55 WeakPolarHBondContact O-CB 3.5Å; V51-A55 PolarHBondContact O-N 3.27Å |
| 52 | I | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.1 | -54 | 172.4 | -74 | 162.8 | 0 | 0 | 0 | 110.8 | Y16 L17 F31 E33 V35 I48 E49 F50 T54 A55 R56 | Y16-I52 HydrophobicContact CD1-CG2 4.5Å; Y16-I52 HydrophobicContact CE1-CG2 4.45Å; L17-I52 HydrophobicContact CD1-CG1 4.27Å; L17-I52 HydrophobicContact CD2-CG1 4.26Å; L17-I52 HydrophobicContact CG-CG1 4.31Å; F31-I52 HydrophobicContact CB-CD1 3.69Å; F31-I52 HydrophobicContact CG-CD1 4.41Å; E33-I52 HydrophobicContact CB-CD1 4.4Å; E33-I52 HydrophobicContact CB-CG1 4.47Å; E33-I52 HydrophobicContact CB-CG2 3.89Å; E33-I52 HydrophobicContact CG-CG2 3.44Å; E33-I52 VanDerWaalsContact CG-CG2 3.44Å; V35-I52 HydrophobicContact CG2-CD1 3.68Å; V35-I52 HydrophobicContact CG2-CG1 3.86Å; I48-I52 HydrophobicContact CG1-CD1 4.4Å; I48-I52 WeakPolarHBondContact O-CB 3.47Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 2.98Å; E49-I52 PolarHBondContact O-N 2.95Å; F50-I52 VanDerWaalsContact C-N 3.34Å; I52-T54 VanDerWaalsContact C-N 3.31Å; I52-T54 PolarHBondContact O-N 3.21Å; I52-A55 PolarHBondContact O-N 2.84Å; I52-R56 VanDerWaalsContact O-CB 3.31Å; I52-R56 WeakPolarHBondContact O-CB 3.11Å; I52-R56 PolarHBondContact O-N 3.42Å |
| 53 | E | 96.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 78 Ų | 78 | 29% | 0.285 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.4 | -30 | -179.8 | -174.4 | 55.8 | -130.2 | 0 | 0 | 112.5 | E49 F50 R56 Q57 R60 | E49-E53 PolarHBondContact O-N 3.18Å; F50-E53 PolarHBondContact O-N 2.88Å; E53-R56 PolarHBondContact O-N 2.82Å; E53-R56 WeakPolarHBondContact OE2-CD 3.4Å; E53-R56 IonicContact OE2-CZ 3.7Å; E53-R56 IonicContact OE2-NE 2.73Å; E53-R56 IonicContact OE2-NH1 3.82Å; E53-R56 PolarHBondContact OE2-NH1 3.21Å; E53-Q57 WeakPolarHBondContact O-CB 3.26Å; E53-Q57 WeakPolarHBondContact O-CG 3.27Å; E53-Q57 PolarHBondContact O-N 2.56Å; E53-Q57 PolarHBondContact O-NE2 2.87Å; E53-Q57 VanDerWaalsContact O-NE2 3.11Å; E53-R60 IonicContact OE1-CZ 2.74Å; E53-R60 IonicContact OE1-NH1 3.9Å; E53-R60 PolarHBondContact OE1-NH1 2.89Å; E53-R60 IonicContact OE1-NH2 3.01Å; E53-R60 PolarHBondContact OE1-NH2 3.05Å; E53-R60 VanDerWaalsContact OE1-NH2 3.1Å; E53-R60 IonicContact OE2-NH2 3.65Å |
| 54 | T | 96.6 | Very high | 91.1 | Very high | 60 Ų | 60 | 79.7 Ų | 79.7 | 37% | 0.368 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 172 | -57 | 0 | 0 | 0 | 0 | 110.9 | F50 V51 I52 R56 Q57 L58 | F50-T54 WeakPolarHBondContact O-CB 3.3Å; F50-T54 PolarHBondContact O-N 3.3Å; F50-T54 PolarHBondContact O-OG1 2.98Å; V51-T54 PolarHBondContact O-N 3.35Å; I52-T54 VanDerWaalsContact C-N 3.31Å; I52-T54 PolarHBondContact O-N 3.21Å; T54-R56 VanDerWaalsContact C-N 3.31Å; T54-R56 PolarHBondContact O-N 2.85Å; T54-Q57 PolarHBondContact O-N 2.91Å; T54-L58 PolarHBondContact O-N 3.37Å |
| 55 | A | 96.2 | Very high | 89 | Confident | 21 Ų | 21 | 86.7 Ų | 86.7 | 17% | 0.174 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.2 | -35 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y16 L17 V51 I52 L58 K59 | Y16-A55 HydrophobicContact CE1-CB 4.15Å; L17-A55 HydrophobicContact CD2-CB 3.63Å; V51-A55 VanDerWaalsContact O-CB 3.27Å; V51-A55 WeakPolarHBondContact O-CB 3.5Å; V51-A55 PolarHBondContact O-N 3.27Å; I52-A55 PolarHBondContact O-N 2.84Å; A55-L58 PolarHBondContact O-N 3.36Å; A55-K59 WeakPolarHBondContact O-CB 3.16Å; A55-K59 WeakPolarHBondContact O-CG 3.45Å; A55-K59 PolarHBondContact O-N 3.15Å |
| 56 | R | 94.9 | Very high | 86.8 | Confident | 42 Ų | 42 | 90.8 Ų | 90.8 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 175.6 | -163.6 | -174.6 | -77.8 | 136.9 | -14.1 | 111.3 | Y16 T32 E33 I52 E53 T54 R60 | Y16-R56 HydrophobicContact CE1-CB 4.49Å; Y16-R56 VanDerWaalsContact OH-CA 3.28Å; Y16-R56 WeakPolarHBondContact OH-CA 3.17Å; Y16-R56 WeakPolarHBondContact OH-CB 3.26Å; Y16-R56 WeakPolarHBondContact OH-CG 3.46Å; T32-R56 PolarHBondContact O-NH2 2.62Å; T32-R56 VanDerWaalsContact O-NH2 3.15Å; T32-R56 PolarHBondContact OG1-NH1 2.93Å; T32-R56 VanDerWaalsContact OG1-NH1 3.16Å; T32-R56 PolarHBondContact OG1-NH2 3.36Å; E33-R56 VanDerWaalsContact CD-NH2 3.34Å; E33-R56 VanDerWaalsContact CG-NH2 3.28Å; E33-R56 IonicContact OE1-CZ 3.1Å; E33-R56 VanDerWaalsContact OE1-CZ 3.3Å; E33-R56 IonicContact OE1-NE 2.7Å; E33-R56 PolarHBondContact OE1-NE 2.8Å; E33-R56 IonicContact OE1-NH2 3.82Å; E33-R56 PolarHBondContact OE1-NH2 2.81Å; I52-R56 VanDerWaalsContact O-CB 3.31Å; I52-R56 WeakPolarHBondContact O-CB 3.11Å; I52-R56 PolarHBondContact O-N 3.42Å; E53-R56 PolarHBondContact O-N 2.82Å; E53-R56 WeakPolarHBondContact OE2-CD 3.4Å; E53-R56 IonicContact OE2-CZ 3.7Å; E53-R56 IonicContact OE2-NE 2.73Å; E53-R56 IonicContact OE2-NH1 3.82Å; E53-R56 PolarHBondContact OE2-NH1 3.21Å; T54-R56 VanDerWaalsContact C-N 3.31Å; T54-R56 PolarHBondContact O-N 2.85Å; R56-R60 VanDerWaalsContact O-CG 3.27Å; R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 2.85Å |
| 57 | Q | 95.4 | Very high | 84.6 | Confident | 106 Ų | 106 | 86.4 Ų | 86.4 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 170.5 | -74.1 | 169 | 87.4 | 0 | 0 | 112 | E53 T54 R60 A61 | E53-Q57 WeakPolarHBondContact O-CB 3.26Å; E53-Q57 WeakPolarHBondContact O-CG 3.27Å; E53-Q57 PolarHBondContact O-N 2.56Å; E53-Q57 PolarHBondContact O-NE2 2.87Å; E53-Q57 VanDerWaalsContact O-NE2 3.11Å; T54-Q57 PolarHBondContact O-N 2.91Å; Q57-R60 PolarHBondContact O-N 3.34Å; Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.97Å |
| 58 | L | 92.4 | Very high | 82.1 | Confident | 118 Ų | 118 | 89.1 Ų | 89.1 | 62% | 0.618 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.3 | -43.9 | 178.2 | -169.5 | 64.4 | 0 | 0 | 0 | 112.4 | T54 A55 R60 A61 H62 | T54-L58 PolarHBondContact O-N 3.37Å; A55-L58 PolarHBondContact O-N 3.36Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 2.98Å; L58-A61 PolarHBondContact O-N 2.72Å; L58-H62 WeakPolarHBondContact O-CB 3.36Å; L58-H62 PolarHBondContact O-N 2.84Å |
| 59 | K | 89.8 | Confident | 78.9 | Confident | 44 Ų | 44 | 94.2 Ų | 94.2 | 19% | 0.191 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 175 | -77.5 | -178.8 | 170.2 | -179.2 | 0 | 111.9 | Y16 D19 A55 F64 | Y16-K59 PolarHBondContact O-NZ 2.98Å; D19-K59 VanDerWaalsContact CG-NZ 3.26Å; D19-K59 IonicContact OD1-NZ 3.3Å; D19-K59 PolarHBondContact OD1-NZ 3.43Å; D19-K59 IonicContact OD2-NZ 2.71Å; D19-K59 PolarHBondContact OD2-NZ 3.48Å; A55-K59 WeakPolarHBondContact O-CB 3.16Å; A55-K59 WeakPolarHBondContact O-CG 3.45Å; A55-K59 PolarHBondContact O-N 3.15Å; K59-F64 HydrophobicContact CB-CB 4.2Å; K59-F64 HydrophobicContact CG-CB 4.49Å; K59-F64 WeakPolarHBondContact O-CB 3.22Å; K59-F64 PolarHBondContact O-N 3.21Å; K59-F64 VanDerWaalsContact O-N 3.1Å |
| 60 | R | 90.3 | Very high | 76.3 | Confident | 148 Ų | 148 | 97.3 Ų | 97.3 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -51.5 | 169.2 | -70.5 | 178 | -159.8 | 111.9 | -13.7 | 111.7 | E53 R56 Q57 L58 H62 G63 | E53-R60 IonicContact OE1-CZ 2.74Å; E53-R60 IonicContact OE1-NH1 3.9Å; E53-R60 PolarHBondContact OE1-NH1 2.89Å; E53-R60 IonicContact OE1-NH2 3.01Å; E53-R60 PolarHBondContact OE1-NH2 3.05Å; E53-R60 VanDerWaalsContact OE1-NH2 3.1Å; E53-R60 IonicContact OE2-NH2 3.65Å; R56-R60 VanDerWaalsContact O-CG 3.27Å; R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 2.85Å; Q57-R60 PolarHBondContact O-N 3.34Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 2.98Å; R60-H62 VanDerWaalsContact C-N 3.34Å; R60-H62 PolarHBondContact O-N 2.88Å; R60-G63 PolarHBondContact O-N 3.08Å; R60-G63 VanDerWaalsContact O-N 3.15Å |
| 61 | A | 86.4 | Confident | 73.2 | Confident | 91 Ų | 91 | 92.3 Ų | 92.3 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -34.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q57 L58 G63 | Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.97Å; L58-A61 PolarHBondContact O-N 2.72Å; A61-G63 VanDerWaalsContact C-N 3.27Å; A61-G63 PolarHBondContact O-N 2.73Å |
| 62 | H | 80.7 | Confident | 70.6 | Confident | 159 Ų | 159 | 97.4 Ų | 97.4 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 9.2 | 177.4 | -154.1 | -64.7 | 0 | 0 | 0 | 113.2 | L58 R60 F64 | L58-H62 WeakPolarHBondContact O-CB 3.36Å; L58-H62 PolarHBondContact O-N 2.84Å; R60-H62 VanDerWaalsContact C-N 3.34Å; R60-H62 PolarHBondContact O-N 2.88Å; H62-F64 PolarHBondContact O-N 3.16Å |
| 63 | G | 69.7 | Low | 67.6 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.1 | 37.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R60 A61 Q65 | R60-G63 PolarHBondContact O-N 3.08Å; R60-G63 VanDerWaalsContact O-N 3.15Å; A61-G63 VanDerWaalsContact C-N 3.27Å; A61-G63 PolarHBondContact O-N 2.73Å; G63-Q65 PolarHBondContact O-N 3.05Å |
| 64 | F | 50.8 | Low | 64.7 | Low | 106 Ų | 106 | 107.3 Ų | 107.3 | 47% | 0.465 | 61% | 0.606 | S | S | . | * | trans | -65.5 | 93.5 | -171.5 | -172.7 | -101 | 0 | 0 | 0 | 112.8 | K59 H62 E66 | K59-F64 HydrophobicContact CB-CB 4.2Å; K59-F64 HydrophobicContact CG-CB 4.49Å; K59-F64 WeakPolarHBondContact O-CB 3.22Å; K59-F64 PolarHBondContact O-N 3.21Å; K59-F64 VanDerWaalsContact O-N 3.1Å; H62-F64 PolarHBondContact O-N 3.16Å; F64-E66 HydrophobicContact CD1-CB 4.34Å; F64-E66 HydrophobicContact CE1-CB 3.97Å; F64-E66 WeakPolarHBondContact CE1-OE2 3.38Å; F64-E66 PolarHBondContact O-N 3.23Å | ||
| 65 | Q | 53.1 | Low | 61.7 | Low | 172 Ų | 172 | 109.2 Ų | 109.2 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | trans | -80.5 | 92.3 | 173.8 | -77.3 | -69.7 | -48.6 | 0 | 0 | 110.8 | G63 G67 | G63-Q65 PolarHBondContact O-N 3.05Å; Q65-G67 PolarHBondContact O-N 3.05Å | ||
| 66 | E | 48.5 | Very low | 58.7 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | trans | -68.3 | 90.2 | 173.6 | -176.9 | 58.2 | -97.1 | 0 | 0 | 111.6 | F64 R68 | F64-E66 HydrophobicContact CD1-CB 4.34Å; F64-E66 HydrophobicContact CE1-CB 3.97Å; F64-E66 WeakPolarHBondContact CE1-OE2 3.38Å; F64-E66 PolarHBondContact O-N 3.23Å; E66-R68 PolarHBondContact O-N 2.78Å | ||
| 67 | G | 50.1 | Low | 56 | Low | 71 Ų | 71 | 122.2 Ų | 122.2 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 67.2 | -10.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | Q65 S69 | Q65-G67 PolarHBondContact O-N 3.05Å; G67-S69 PolarHBondContact O-N 3.01Å |
| 68 | R | 44.3 | Very low | 52.9 | Low | 230 Ų | 230 | 122.2 Ų | 122.2 | 87% | 0.868 | 70% | 0.702 | S | S | * | * | trans | -91.7 | 91.7 | -176.8 | -140.3 | 175.3 | -162.6 | -165.7 | 4 | 111.7 | E66 | E66-R68 PolarHBondContact O-N 2.78Š| ||
| 69 | S | 31.2 | Very low | 50 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -45.1 | 130.4 | -178.8 | -174.2 | 0 | 0 | 0 | 0 | 113.3 | G67 G71 | G67-S69 PolarHBondContact O-N 3.01Å; S69-G71 VanDerWaalsContact C-N 3.32Å; S69-G71 PolarHBondContact O-N 2.93Å | ||
| 70 | P | 41.3 | Very low | 47.2 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -74 | 84.8 | 176.4 | 31.1 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 71 | G | 33.3 | Very low | 44.4 | Very low | 53 Ų | 53 | 128.9 Ų | 128.9 | 55% | 0.546 | 75% | 0.751 | S | S | . | * | trans | -58.7 | 148.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S69 G73 | S69-G71 VanDerWaalsContact C-N 3.32Å; S69-G71 PolarHBondContact O-N 2.93Å; G71-G73 PolarHBondContact O-N 3.01Å | ||
| 72 | P | 44 | Very low | 42 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | trans | -74.5 | 64.9 | -173 | 31 | -36.7 | 0 | 0 | 0 | 113 | K74 | P72-K74 PolarHBondContact O-N 2.8Š| ||
| 73 | G | 34.7 | Very low | 39.7 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | -80.6 | 109.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | G71 A75 | G71-G73 PolarHBondContact O-N 3.01Å; G73-A75 PolarHBondContact O-N 3.02Å | ||
| 74 | K | 34.8 | Very low | 37.8 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -59.1 | 134 | 177.9 | -61.1 | 176.4 | -177.8 | 178.1 | 0 | 110.6 | P72 Q76 | P72-K74 PolarHBondContact O-N 2.8Å; K74-Q76 PolarHBondContact O-N 2.99Å | ||
| 75 | A | 33.2 | Very low | 37.1 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 91.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G73 L77 | G73-A75 PolarHBondContact O-N 3.02Å; A75-L77 PolarHBondContact O-N 2.87Å | ||
| 76 | Q | 32.9 | Very low | 36.1 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -75.2 | 88.7 | 167 | -97.4 | -134.2 | -101.2 | 0 | 0 | 110.3 | K74 | K74-Q76 PolarHBondContact O-N 2.99Š| ||
| 77 | L | 39.6 | Very low | 35.4 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -69 | 130.5 | 149.5 | -65.8 | 173.1 | 0 | 0 | 0 | 107.6 | A75 | A75-L77 PolarHBondContact O-N 2.87Š| ||
| 78 | S | 30.6 | Very low | 35.2 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -154.7 | 116.7 | -179.9 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 79 | G | 30.3 | Very low | 34.6 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | 107.7 | 127.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 80 | K | 32 | Very low | 34.5 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | cis | -143 | 148.9 | -9.1 | -77.7 | 98.5 | 172.6 | -171.3 | 0 | 110.1 | ||||
| 81 | E | 30.2 | Very low | 34 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -111.7 | -172.7 | 154.2 | -153.1 | -157.9 | 100.8 | 0 | 0 | 108.2 | ||||
| 82 | I | 36.2 | Very low | 33.9 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 81.2 | 116 | -160.2 | -53.6 | 159.9 | 0 | 0 | 0 | 109.5 | ||||
| 83 | Q | 32.5 | Very low | 33.5 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | cis | -144.9 | 177.6 | 16.5 | -135.7 | 168.3 | 103.4 | 0 | 0 | 108.4 | ||||
| 84 | A | 30 | Very low | 33.3 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | cis | -159.1 | 179.8 | 18.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 85 | I | 36.6 | Very low | 33.1 | Very low | 143 Ų | 143 | 129 Ų | 129 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -41.2 | 136.7 | 167 | 39.2 | 166.2 | 0 | 0 | 0 | 118.3 | ||||
| 86 | N | 32 | Very low | 33.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | 177.6 | 117.2 | 114.6 | -92.6 | -33.3 | 0 | 0 | 0 | 116.2 | |||||
| 87 | H | 33.5 | Very low | 33.9 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 60.8 | 163.6 | 140.3 | -77.9 | -67.8 | 0 | 0 | 0 | 122.6 | ||||
| 88 | P | 46.3 | Very low | 34 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -125.5 | 169 | -143.5 | 44.6 | -33.7 | 0 | 0 | 0 | 116.4 | ||||
| 89 | S | 30.6 | Very low | 34.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 164.1 | 162.7 | 139.3 | -77.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 90 | A | 29.5 | Very low | 34.9 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | cis | -176 | 143.2 | -33.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 91 | G | 31.5 | Very low | 35 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 85.3 | 146.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 92 | D | 31.4 | Very low | 35.2 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | cis | -151.4 | 177.9 | -10.7 | -169.3 | -123.5 | 0 | 0 | 0 | 111.1 | ||||
| 93 | T | 34.3 | Very low | 35 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | -8.3 | 135.8 | 169 | 52.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 94 | G | 30.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | 111.8 | 108.9 | 9.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 95 | S | 31.9 | Very low | 35.6 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -171.8 | 164.1 | 153.7 | -88.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 96 | R | 34.8 | Very low | 35.5 | Very low | 238 Ų | 238 | 136 Ų | 136 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -111.2 | -171.9 | -168.1 | -114.7 | -165.7 | 100.8 | -162.6 | 7.1 | 112.2 | ||||
| 97 | P | 46.8 | Very low | 35.4 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | trans | -97.5 | -166.9 | -157.1 | 46.7 | -40.8 | 0 | 0 | 0 | 111.6 | ||||
| 98 | P | 43 | Very low | 35.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -140.1 | -176.2 | 9.9 | 42.8 | -22.2 | 0 | 0 | 0 | 118.3 | ||||
| 99 | Q | 38.2 | Very low | 34.6 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 165.4 | 162.4 | -69.6 | -76.5 | 3.8 | 0 | 0 | 112.3 | ||||
| 100 | P | 41.1 | Very low | 35 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | cis | -141.9 | -166.8 | 23 | 42.1 | -21.7 | 0 | 0 | 0 | 117.5 | ||||
| 101 | L | 33.6 | Very low | 35.6 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 105.4 | 138 | 158.7 | -107.6 | 74.2 | 0 | 0 | 0 | 120.7 | ||||
| 102 | D | 34.1 | Very low | 36.6 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 49.1 | 101.9 | 161.2 | -80.2 | -81.8 | 0 | 0 | 0 | 124.2 | ||||
| 103 | R | 33.1 | Very low | 37 | Very low | 243 Ų | 243 | 144.5 Ų | 144.5 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | -164 | 131.6 | 121.8 | -108.9 | 177.2 | -171.6 | 85.3 | -4.6 | 113 | |||||
| 104 | Y | 30.4 | Very low | 37.2 | Very low | 184 Ų | 184 | 147 Ų | 147 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -84.3 | 153.5 | 162 | -134.9 | -128.9 | 0 | 0 | 0 | 109 | L106 | Y104-L106 HydrophobicContact CD1-CD2 4.16Å; Y104-L106 HydrophobicContact CD1-CG 4.22Å; Y104-L106 HydrophobicContact CE1-CD2 4.06Å; Y104-L106 HydrophobicContact CE1-CG 4.46Å | ||
| 105 | P | 43.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | -146.5 | 179.4 | 69.1 | 34.9 | -13.6 | 0 | 0 | 0 | 114.3 | |||||
| 106 | L | 35.1 | Very low | 38.2 | Very low | 138 Ų | 138 | 146 Ų | 146 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | cis | -156.7 | 160.4 | -21.7 | -109.8 | 165.6 | 0 | 0 | 0 | 107.4 | Y104 | Y104-L106 HydrophobicContact CD1-CD2 4.16Å; Y104-L106 HydrophobicContact CD1-CG 4.22Å; Y104-L106 HydrophobicContact CE1-CD2 4.06Å; Y104-L106 HydrophobicContact CE1-CG 4.46Å | ||
| 107 | S | 30.8 | Very low | 38 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -156.8 | 149.4 | 167.5 | -78.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 108 | S | 32.5 | Very low | 37.1 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 65.7 | 122.6 | 172 | -55.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 109 | D | 30.8 | Very low | 36.6 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -116.4 | 136.4 | 154.9 | -172.4 | -81.7 | 0 | 0 | 0 | 110 | ||||
| 110 | R | 38.4 | Very low | 36 | Very low | 223 Ų | 223 | 147 Ų | 147 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -171.6 | 127.3 | 163.5 | 178.6 | -153.2 | -97.5 | -84.8 | 3.7 | 109.8 | ||||
| 111 | P | 42.6 | Very low | 35.5 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 62% | 0.617 | 77% | 0.774 | S | S | * | * | trans | -136.2 | 179.5 | 146.1 | 33.8 | -17.5 | 0 | 0 | 0 | 112.6 | ||||
| 112 | P | 52 | Low | 35.7 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -126.4 | -160.8 | -46.6 | 37.6 | -22.7 | 0 | 0 | 0 | 112.2 | ||||
| 113 | R | 40.1 | Very low | 35.6 | Very low | 220 Ų | 220 | 151.8 Ų | 151.8 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -102.4 | 157.5 | -178.3 | -89.9 | -171 | 159 | -77.4 | 3.8 | 114 | ||||
| 114 | L | 36.8 | Very low | 35.5 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -148.4 | 161.3 | 146.1 | -75.1 | -176.2 | 0 | 0 | 0 | 111.6 | ||||
| 115 | G | 31.5 | Very low | 35.9 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 83.1 | 130.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 116 | P | 52.1 | Low | 35.4 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -120.7 | -179.6 | 165.4 | 43 | -32.3 | 0 | 0 | 0 | 114.3 | ||||
| 117 | E | 30.9 | Very low | 36.1 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 81.2 | 161 | 160.2 | -66.9 | 174.7 | 89.2 | 0 | 0 | 121.5 | ||||
| 118 | Y | 27.9 | Very low | 36.8 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 81.6 | 97.4 | 173.7 | -127 | -92.6 | 0 | 0 | 0 | 122.7 | ||||
| 119 | Q | 32 | Very low | 37.6 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 65% | 0.654 | 79% | 0.794 | S | S | * | * | trans | 14.8 | 145.3 | 140.1 | -60.5 | -174.7 | 10.6 | 0 | 0 | 124.4 | ||||
| 120 | S | 27.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 74.6 | 130.8 | 136.8 | -68.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 121 | G | 30.6 | Very low | 38.6 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 171.5 | 136.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 122 | R | 36.4 | Very low | 38.3 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -114 | 178.7 | 163.7 | -83.6 | -174.3 | 174.6 | -94.9 | 5.9 | 108.6 | ||||
| 123 | Q | 33.4 | Very low | 37.4 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 74.4 | 156.9 | 170.6 | -41.3 | -58.2 | 24.5 | 0 | 0 | 114 | ||||
| 124 | A | 30.4 | Very low | 37.9 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | cis | -162.5 | 179.2 | -27.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 125 | N | 38.5 | Very low | 38 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 150 | -175.4 | -62.4 | -4.6 | 0 | 0 | 0 | 114.9 | ||||
| 126 | G | 34.1 | Very low | 38.4 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 160.4 | 112.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 127 | I | 48.8 | Very low | 37.5 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | trans | -129.4 | 129.6 | 158.8 | -63.2 | -178.2 | 0 | 0 | 0 | 107.5 | ||||
| 128 | P | 46.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -85.5 | 149.6 | -178.5 | -4.4 | 23.1 | 0 | 0 | 0 | 113.2 | ||||
| 129 | V | 49.4 | Very low | 38.6 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -138 | 133.6 | 167.3 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 130 | P | 51.3 | Low | 39.2 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -81.4 | 151.3 | -177.6 | 31.3 | -34.3 | 0 | 0 | 0 | 114.4 | ||||
| 131 | N | 39.1 | Very low | 39.7 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 152 | -164.9 | -80.1 | 12.6 | 0 | 0 | 0 | 118.6 | ||||
| 132 | G | 34.5 | Very low | 40.2 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -158.8 | 116.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 133 | F | 34.9 | Very low | 40.5 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -100.3 | 167.8 | -175.9 | -108.3 | -119.2 | 0 | 0 | 0 | 111.5 | K135 | F133-K135 HydrophobicContact CE1-CB 4.36Š| ||
| 134 | P | 48.7 | Very low | 41.3 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -128.7 | 174.1 | 23.4 | 40.6 | -24 | 0 | 0 | 0 | 117.9 | ||||
| 135 | K | 40.9 | Very low | 41.6 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 59% | 0.591 | 78% | 0.776 | S | S | * | * | trans | -108.9 | 149.6 | -174.7 | 176.4 | 175.5 | -177.5 | 172.4 | 0 | 111.9 | F133 E138 | F133-K135 HydrophobicContact CE1-CB 4.36Å; K135-E138 IonicContact NZ-OE1 3.99Å | ||
| 136 | P | 38.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -122.4 | 143.5 | 141.7 | 35.8 | -27 | 0 | 0 | 0 | 112.7 | ||||
| 137 | D | 33.1 | Very low | 41.8 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 38.4 | 127.1 | 160.1 | -134 | -114.2 | 0 | 0 | 0 | 122.5 | ||||
| 138 | E | 38.4 | Very low | 41.1 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -152.2 | 114.7 | 166.4 | 179.2 | -177 | 65.9 | 0 | 0 | 109.7 | K135 | K135-E138 IonicContact NZ-OE1 3.99Š| ||
| 139 | P | 44.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | trans | -83.1 | 156.1 | 168.9 | 32.6 | -32.7 | 0 | 0 | 0 | 111.8 | ||||
| 140 | P | 44.6 | Very low | 40.2 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -77.7 | 153.8 | -152.9 | 29 | -37.2 | 0 | 0 | 0 | 116.8 | L142 | P140-L142 PolarHBondContact O-N 3.11Å; P140-L142 VanDerWaalsContact O-N 3.16Å | ||
| 141 | E | 38.2 | Very low | 39.7 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -57.3 | 111.3 | 177.2 | -74.5 | -160.5 | 104.5 | 0 | 0 | 113.5 | N143 | E141-N143 PolarHBondContact O-N 3.49Å; E141-N143 VanDerWaalsContact O-N 3.13Å | ||
| 142 | L | 41.3 | Very low | 39.3 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -80.9 | 90.5 | 166.7 | -78.5 | 173.3 | 0 | 0 | 0 | 111.5 | P140 | P140-L142 PolarHBondContact O-N 3.11Å; P140-L142 VanDerWaalsContact O-N 3.16Å | ||
| 143 | N | 42 | Very low | 39.6 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | 31.9 | 105.2 | 147.8 | -173.7 | 14.4 | 0 | 0 | 0 | 117.6 | E141 Q145 | E141-N143 PolarHBondContact O-N 3.49Å; E141-N143 VanDerWaalsContact O-N 3.13Å; N143-Q145 PolarHBondContact O-N 3.46Å | ||
| 144 | R | 50.7 | Low | 39.6 | Very low | 225 Ų | 225 | 148.6 Ų | 148.6 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | trans | -58.4 | 98.1 | 168 | -74.3 | 178.2 | 163.2 | 91.5 | -3.7 | 112.1 | ||||
| 145 | Q | 36.6 | Very low | 39.4 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -152.4 | 108.7 | 162.9 | -116.8 | 158.5 | 99.4 | 0 | 0 | 112.8 | N143 | N143-Q145 PolarHBondContact O-N 3.46Š| ||
| 146 | S | 36.3 | Very low | 39.6 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -74.6 | 129.1 | 176.6 | -52 | 0 | 0 | 0 | 0 | 111.2 | N148 | S146-N148 PolarHBondContact O-N 3.03Š| ||
| 147 | P | 40.2 | Very low | 40.4 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 118 | 175.8 | -22.7 | 34.4 | 0 | 0 | 0 | 112.2 | ||||
| 148 | N | 34.7 | Very low | 40.4 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -97.1 | 111.9 | 174.5 | -172.4 | -5.1 | 0 | 0 | 0 | 109.5 | S146 R150 | S146-N148 PolarHBondContact O-N 3.03Å; N148-R150 PolarHBondContact O-N 2.88Å | ||
| 149 | P | 39.2 | Very low | 40.5 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -81.3 | 79.9 | -166.4 | 32.3 | -36.3 | 0 | 0 | 0 | 113 | ||||
| 150 | R | 36.8 | Very low | 40.5 | Very low | 227 Ų | 227 | 147.3 Ų | 147.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -137.3 | 101 | 165.8 | -77.4 | -161.9 | 169.6 | -130.9 | -5.9 | 115 | N148 | N148-R150 PolarHBondContact O-N 2.88Š| ||
| 151 | R | 40.1 | Very low | 40.9 | Very low | 228 Ų | 228 | 147.3 Ų | 147.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 59 | 105.8 | 137.1 | -166.8 | -158.2 | 80.7 | -164.6 | 7.7 | 118.5 | ||||
| 152 | N | 32.1 | Very low | 40.8 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | -148.4 | 146.5 | 125.5 | -162.4 | 39.3 | 0 | 0 | 0 | 113.7 | T154 | N152-T154 PolarHBondContact ND2-OG1 3.48Š| |||
| 153 | N | 39.4 | Very low | 40.4 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -99.8 | 129.4 | 160.8 | -84.4 | 5.6 | 0 | 0 | 0 | 108.1 | ||||
| 154 | T | 35 | Very low | 39.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -146.2 | 142.8 | 154.8 | -45.6 | 0 | 0 | 0 | 0 | 110.2 | N152 | N152-T154 PolarHBondContact ND2-OG1 3.48Š| ||
| 155 | V | 45.8 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 149.2 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 110 | ||
| 156 | P | 45.4 | Very low | 38.7 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 154 | 175.4 | 28.8 | -36.9 | 0 | 0 | 0 | 114 | ||
| 157 | P | 54.6 | Low | 38.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 168.5 | 168.1 | 35.5 | -36.4 | 0 | 0 | 0 | 111.3 | ||
| 158 | N | 32.9 | Very low | 39 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | cis | -160.3 | 140.7 | 24.5 | -133.9 | 2.1 | 0 | 0 | 0 | 112 | ||||
| 159 | L | 41 | Very low | 39.2 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 55.4 | 152.4 | 143.7 | -60.7 | 169.7 | 0 | 0 | 0 | 120.8 | ||||
| 160 | V | 44.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | -140.6 | 166.2 | 6.7 | -104.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 161 | P | 52.4 | Low | 38.3 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -100.1 | 165.7 | -169.7 | 39.1 | -36.4 | 0 | 0 | 0 | 116.6 | ||||
| 162 | L | 36.4 | Very low | 38 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -139.3 | 169.3 | 158.8 | -165.4 | 56.1 | 0 | 0 | 0 | 110.6 | ||||
| 163 | V | 33.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | trans | -129.6 | 148.9 | -149.8 | 65.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 164 | N | 30.6 | Very low | 37.4 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 63 | 141.5 | 167 | -72.9 | -1.1 | 0 | 0 | 0 | 120.2 | ||||
| 165 | G | 29 | Very low | 37.2 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 174.6 | 114 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 166 | V | 33.2 | Very low | 36.6 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -94.6 | 158.2 | -174 | -151 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | H | 39 | Very low | 35.9 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -58.8 | 162.5 | 171.8 | -61 | -82.9 | 0 | 0 | 0 | 113.7 | ||||
| 168 | P | 44.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -136.2 | -172.9 | 111.4 | 39.8 | -30.6 | 0 | 0 | 0 | 114.9 | |||||
| 169 | V | 38 | Very low | 34.7 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -124.6 | 170 | -173.4 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 170 | N | 31.2 | Very low | 34.2 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | 86.1 | 152.2 | -175.5 | -60.9 | -17.1 | 0 | 0 | 0 | 115.4 | ||||
| 171 | G | 26.9 | Very low | 33.7 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | 155.7 | 150 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 172 | R | 32.7 | Very low | 32.9 | Very low | 222 Ų | 222 | 139.7 Ų | 139.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | 78.1 | 117.5 | 166.1 | -63.6 | -173.9 | 70.9 | -175.4 | 6 | 121.7 | ||||
| 173 | Q | 27.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | 86.1 | 125.7 | 118.9 | -170.1 | 168.9 | -9.9 | 0 | 0 | 121.8 | |||||
| 174 | G | 30.7 | Very low | 32.5 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 178.1 | 144.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 175 | Q | 32.6 | Very low | 32.3 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -151.1 | 121.7 | -130.3 | 169.4 | -166.7 | -14.4 | 0 | 0 | 114.4 | ||||
| 176 | M | 33.1 | Very low | 32.5 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | 177.6 | 129.2 | 156.7 | 47.7 | -153.4 | -63.7 | 0 | 0 | 107.8 | ||||
| 177 | G | 29.3 | Very low | 33.5 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | 100.1 | 132.8 | 73.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 178 | L | 35.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | cis | -145.4 | -178.3 | 10.6 | -80.1 | 170.7 | 0 | 0 | 0 | 112.3 | ||||
| 179 | T | 28.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 77% | 0.767 | 83% | 0.827 | S | S | * | * | trans | -75.8 | 153.3 | -173.4 | 49 | 0 | 0 | 0 | 0 | 117 | ||||
| 180 | S | 29.7 | Very low | 32.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -153.8 | 161.5 | 136.1 | -83 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 181 | T | 33.5 | Very low | 32.7 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | trans | -98.8 | 156.3 | -152.9 | 40.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 182 | L | 36.3 | Very low | 33 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -97.2 | 136.8 | 169.5 | -61.7 | 166.2 | 0 | 0 | 0 | 110 | ||||
| 183 | A | 32.2 | Very low | 33.1 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 88% | 0.884 | 84% | 0.839 | S | S | * | * | trans | -153.8 | 134.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 184 | G | 29.1 | Very low | 34 | Very low | 86 Ų | 86 | 135 Ų | 135 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | -117.6 | 154.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 185 | G | 27.6 | Very low | 34 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -161.2 | 157.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 186 | S | 31.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 87% | 0.867 | 84% | 0.843 | S | S | * | * | trans | -133.9 | 172 | -173.6 | -109.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 187 | P | 54.6 | Low | 34 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 81% | 0.805 | 84% | 0.844 | S | S | * | * | trans | -97.6 | 162.5 | -138.6 | 37 | -39.4 | 0 | 0 | 0 | 116.6 | ||||
| 188 | A | 32.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 85% | 0.849 | S | S | * | * | trans | -153.8 | 161.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 189 | D | 33.1 | Very low | 34 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | trans | -71.3 | -168.9 | -158.3 | -153.8 | -92.3 | 0 | 0 | 0 | 119 | ||||
| 190 | L | 36.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | 79 | 127.9 | 166.7 | -57.8 | 172.4 | 0 | 0 | 0 | 119.1 | ||||
| 191 | G | 33.8 | Very low | 34.7 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | -142.9 | -176.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 192 | K | 33 | Very low | 34.7 | Very low | 218 Ų | 218 | 136.3 Ų | 136.3 | 95% | 0.948 | 84% | 0.844 | S | S | * | * | trans | -170.4 | 155.8 | 170 | -98.3 | 136.2 | -173.9 | 177.2 | 0 | 112.2 | ||||
| 193 | R | 36 | Very low | 34.6 | Very low | 238 Ų | 238 | 134.1 Ų | 134.1 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -98.1 | 151.4 | 161.3 | -81.5 | 175.8 | 152.9 | -174.2 | -6.9 | 108.9 | ||||
| 194 | P | 45.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | -126 | 175 | 80.3 | 7.8 | 15.9 | 0 | 0 | 0 | 112 | |||||
| 195 | A | 31.2 | Very low | 35.1 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | cis | 110.1 | 118.2 | 11 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 196 | S | 33.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | 65.2 | 122.3 | 151.5 | -53.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 197 | V | 31.6 | Very low | 35.7 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 92% | 0.915 | 81% | 0.814 | S | S | * | * | trans | -142.3 | 149.8 | 136 | -76.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 198 | S | 32.6 | Very low | 34.5 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -157.4 | 136.3 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 199 | S | 31.5 | Very low | 34.8 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 175.2 | 149.9 | 173.5 | -80.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 200 | T | 35 | Very low | 34.8 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | cis | -155.4 | 168.5 | -4.3 | 9.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 201 | E | 37.5 | Very low | 34.9 | Very low | 179 Ų | 179 | 155 Ų | 155 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 170.5 | -173.7 | -58.2 | 157.7 | 118.3 | 0 | 0 | 114 | ||||
| 202 | H | 34.3 | Very low | 35.7 | Very low | 200 Ų | 200 | 156.3 Ų | 156.3 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -155.2 | 146.7 | 143.5 | -110.3 | 83.7 | 0 | 0 | 0 | 112.5 | ||||
| 203 | D | 33.3 | Very low | 35.9 | Very low | 133 Ų | 133 | 152 Ų | 152 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -90.9 | 160.2 | -171 | 175.4 | -104.8 | 0 | 0 | 0 | 114.6 | ||||
| 204 | R | 38.3 | Very low | 35.9 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -166.4 | 106.1 | 139.9 | -111.7 | 169.4 | -176.6 | -161.3 | -2 | 114.4 | ||||
| 205 | E | 35.2 | Very low | 35.7 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 146 | 160.5 | -175 | 175.8 | 130.5 | 0 | 0 | 111.8 | K207 | E205-K207 WeakPolarHBondContact OE1-CD 3.37Å; E205-K207 IonicContact OE1-NZ 2.72Å; E205-K207 PolarHBondContact OE1-NZ 3.26Å | ||
| 206 | G | 33.7 | Very low | 36.5 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -156.5 | 135.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 207 | K | 37.3 | Very low | 36.8 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | -150.2 | 108.3 | -149.4 | -174.8 | -166 | -138.5 | 129.5 | 0 | 116.3 | E205 | E205-K207 WeakPolarHBondContact OE1-CD 3.37Å; E205-K207 IonicContact OE1-NZ 2.72Å; E205-K207 PolarHBondContact OE1-NZ 3.26Å | ||
| 208 | E | 29.9 | Very low | 37 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -145.7 | 120.9 | 158.5 | -75.8 | -163.8 | 118.5 | 0 | 0 | 109.4 | ||||
| 209 | K | 38.2 | Very low | 37.4 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | 66.9 | 95.6 | 78.6 | -67.6 | 177.3 | -175.3 | 168.5 | 0 | 114.8 | |||||
| 210 | H | 32.7 | Very low | 37.9 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | -173 | -168.9 | 97.1 | -152.1 | -122.8 | 0 | 0 | 0 | 112.4 | |||||
| 211 | R | 38.3 | Very low | 37.9 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.819 | 74% | 0.737 | S | S | * | * | trans | -91.1 | -179.8 | -170.6 | -111.3 | -158.7 | 132 | 101.5 | -6.4 | 113.8 | ||||
| 212 | P | 51.2 | Low | 37.9 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | trans | -121.7 | -140 | -145.6 | 42.2 | -21.7 | 0 | 0 | 0 | 113.4 | ||||
| 213 | D | 37.2 | Very low | 38.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | trans | 75 | 110.6 | 172.9 | -71.8 | -69.9 | 0 | 0 | 0 | 118.3 | ||||
| 214 | S | 36.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -179.1 | -22.6 | 151.9 | -81 | 0 | 0 | 0 | 0 | 113.7 | ||
| 215 | L | 41.9 | Very low | 38.3 | Very low | 167 Ų | 167 | 137 Ų | 137 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -108.6 | 2.3 | -166.6 | -85.4 | 165.1 | 0 | 0 | 0 | 116.8 | ||
| 216 | T | 46.4 | Very low | 38.4 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 53% | 0.534 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -100.3 | -14.7 | -176.9 | 17.2 | 0 | 0 | 0 | 0 | 114.9 | M219 | T216-M219 HydrophobicContact CG2-CE 3.92Š|
| 217 | Q | 39.9 | Very low | 38.4 | Very low | 135 Ų | 135 | 145 Ų | 145 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -77.6 | -50 | -172 | -169.4 | 162.2 | -19.4 | 0 | 0 | 112.8 | M219 S220 | Q217-M219 VanDerWaalsContact C-N 3.33Å; Q217-M219 PolarHBondContact O-N 3.44Å; Q217-S220 PolarHBondContact O-N 2.73Å; Q217-S220 PolarHBondContact O-OG 2.9Å |
| 218 | E | 36 | Very low | 38.4 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -61.1 | -34 | -172.7 | -64.8 | -147.9 | 95.9 | 0 | 0 | 114.6 | S220 S222 | E218-S220 VanDerWaalsContact C-N 3.25Å; E218-S220 PolarHBondContact O-N 3.05Å; E218-S222 PolarHBondContact O-OG 3.25Å |
| 219 | M | 39.9 | Very low | 38.7 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -73.3 | -15.8 | 176.9 | 68.5 | 167.2 | 174.6 | 0 | 0 | 113.7 | T216 Q217 H223 | T216-M219 HydrophobicContact CG2-CE 3.92Å; Q217-M219 VanDerWaalsContact C-N 3.33Å; Q217-M219 PolarHBondContact O-N 3.44Å; M219-H223 PolarHBondContact O-CD2 3.4Å |
| 220 | S | 43.3 | Very low | 38.7 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 45% | 0.448 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -91.2 | -26.7 | -173.2 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | Q217 E218 | Q217-S220 PolarHBondContact O-N 2.73Å; Q217-S220 PolarHBondContact O-OG 2.9Å; E218-S220 VanDerWaalsContact C-N 3.25Å; E218-S220 PolarHBondContact O-N 3.05Å |
| 221 | E | 35.5 | Very low | 39.4 | Very low | 128 Ų | 128 | 140 Ų | 140 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -79.7 | -36.3 | 177.6 | -64.2 | -169.6 | 71.7 | 0 | 0 | 111.8 | H223 K224 | E221-H223 PolarHBondContact O-N 3.15Å; E221-H223 VanDerWaalsContact O-N 3.11Å; E221-K224 PolarHBondContact O-N 2.76Å; E221-K224 VanDerWaalsContact O-N 3.15Å |
| 222 | S | 36.4 | Very low | 39.7 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -56.1 | -28.9 | 178 | -66.4 | 0 | 0 | 0 | 0 | 113.9 | E218 | E218-S222 PolarHBondContact O-OG 3.25Å |
| 223 | H | 44.3 | Very low | 39.6 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -80.7 | -21.2 | -178.3 | -85.6 | -98.9 | 0 | 0 | 0 | 114.6 | M219 E221 | M219-H223 PolarHBondContact O-CD2 3.4Å; E221-H223 PolarHBondContact O-N 3.15Å; E221-H223 VanDerWaalsContact O-N 3.11Å |
| 224 | K | 38.3 | Very low | 40.4 | Very low | 173 Ų | 173 | 138 Ų | 138 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -83.6 | -23.6 | -178.4 | -70.7 | -178.3 | 178.9 | 174.2 | 0 | 114.1 | E221 | E221-K224 PolarHBondContact O-N 2.76Å; E221-K224 VanDerWaalsContact O-N 3.15Å |
| 225 | S | 32.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.3 | -34.1 | -177.7 | -170.2 | 0 | 0 | 0 | 0 | 113 | ||
| 226 | R | 35.8 | Very low | 42.1 | Very low | 215 Ų | 215 | 134.3 Ų | 134.3 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -14.6 | -169.7 | -168.9 | 163.7 | 177.6 | 143.4 | -0.3 | 115.2 | ||
| 227 | E | 34.7 | Very low | 42.5 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -16.3 | -174.8 | -153 | 175.4 | 144.5 | 0 | 0 | 113.5 | ||
| 228 | Q | 37.3 | Very low | 43.1 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -94.2 | -9.5 | -163.3 | -157 | 160.6 | 103 | 0 | 0 | 116.2 | ||
| 229 | D | 36.4 | Very low | 44.2 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -93.5 | -6.9 | -174.4 | -164.5 | -123.3 | 0 | 0 | 0 | 115.5 | G231 K234 | D229-G231 PolarHBondContact O-N 2.89Å; D229-K234 IonicContact OD1-NZ 3.68Å |
| 230 | W | 38.6 | Very low | 45 | Very low | 232 Ų | 232 | 134.6 Ų | 134.6 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 5.5 | -173.1 | -72.5 | 77.2 | 0 | 0 | 0 | 115 | ||
| 231 | G | 45.9 | Very low | 45.7 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 5.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | D229 | D229-G231 PolarHBondContact O-N 2.89Š|
| 232 | K | 44.6 | Very low | 46.4 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -136.6 | 122.6 | -171.4 | -64.2 | 179.1 | -174.8 | 170.2 | 0 | 112.9 | K234 | K232-K234 PolarHBondContact O-N 2.83Š|
| 233 | G | 50.2 | Low | 47.2 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 123.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 234 | K | 53 | Low | 47.5 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 60% | 0.596 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 125.4 | -178.2 | -58.2 | -177 | -177.7 | -176.1 | 0 | 109.5 | D229 K232 | D229-K234 IonicContact OD1-NZ 3.68Å; K232-K234 PolarHBondContact O-N 2.83Å |
| 235 | T | 63.8 | Low | 47.8 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 61% | 0.607 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 156.9 | -178.1 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | R237 D238 | T235-R237 PolarHBondContact O-N 3.11Å; T235-D238 VanDerWaalsContact O-CB 3.3Å; T235-D238 WeakPolarHBondContact O-CB 3.5Å; T235-D238 PolarHBondContact O-N 2.91Å |
| 236 | V | 50.1 | Low | 48.1 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -52.6 | -26.9 | -176.5 | 176.3 | 0 | 0 | 0 | 0 | 113.9 | D238 M240 | V236-D238 VanDerWaalsContact C-N 3.31Å; V236-D238 PolarHBondContact O-N 3.43Å; V236-M240 HydrophobicContact CG1-CE 4.12Å; V236-M240 PolarHBondContact O-N 3.15Å |
| 237 | R | 55.9 | Low | 48.1 | Very low | 211 Ų | 211 | 134.9 Ų | 134.9 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -64.1 | -32.3 | 176.3 | -175.8 | 174.3 | -69.2 | 170.2 | -0.5 | 113.4 | T235 | T235-R237 PolarHBondContact O-N 3.11Å |
| 238 | D | 52.7 | Low | 48.7 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 42% | 0.417 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -72.8 | -42.8 | -177 | -162.1 | 46.7 | 0 | 0 | 0 | 111.2 | T235 V236 M240 A241 | T235-D238 VanDerWaalsContact O-CB 3.3Å; T235-D238 WeakPolarHBondContact O-CB 3.5Å; T235-D238 PolarHBondContact O-N 2.91Å; V236-D238 VanDerWaalsContact C-N 3.31Å; V236-D238 PolarHBondContact O-N 3.43Å; D238-M240 VanDerWaalsContact C-N 3.28Å; D238-M240 PolarHBondContact O-N 2.74Å; D238-A241 WeakPolarHBondContact O-CB 3.49Å; D238-A241 PolarHBondContact O-N 3.42Å; D238-A241 VanDerWaalsContact O-N 3.11Å |
| 239 | L | 58.2 | Low | 48.6 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 59% | 0.586 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -63.5 | -30.5 | 176.5 | -69.8 | 168.9 | 0 | 0 | 0 | 113.2 | ||
| 240 | M | 56.9 | Low | 48.5 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -74.3 | -26.3 | 175.1 | -69.2 | -174 | 178.3 | 0 | 0 | 113.2 | V236 D238 | V236-M240 HydrophobicContact CG1-CE 4.12Å; V236-M240 PolarHBondContact O-N 3.15Å; D238-M240 VanDerWaalsContact C-N 3.28Å; D238-M240 PolarHBondContact O-N 2.74Å |
| 241 | A | 58.8 | Low | 48.6 | Very low | 56 Ų | 56 | 139.4 Ų | 139.4 | 46% | 0.463 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -67.8 | -43.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D238 H243 T244 | D238-A241 WeakPolarHBondContact O-CB 3.49Å; D238-A241 PolarHBondContact O-N 3.42Å; D238-A241 VanDerWaalsContact O-N 3.11Å; A241-H243 PolarHBondContact O-N 3.23Å; A241-T244 PolarHBondContact O-N 2.96Å; A241-T244 PolarHBondContact O-OG1 3.36Å |
| 242 | L | 50.3 | Low | 48 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -19.5 | -177.2 | -65.3 | 174 | 0 | 0 | 0 | 114.2 | ||
| 243 | H | 52.4 | Low | 47.6 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -3 | -179.9 | -94.7 | -81.6 | 0 | 0 | 0 | 115 | A241 | A241-H243 PolarHBondContact O-N 3.23Š|
| 244 | T | 50.7 | Low | 46.7 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -96.6 | -3 | -170.5 | 56.4 | 0 | 0 | 0 | 0 | 115.7 | A241 | A241-T244 PolarHBondContact O-N 2.96Å; A241-T244 PolarHBondContact O-OG1 3.36Å |
| 245 | F | 45 | Very low | 45.7 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -131.8 | 35.6 | -167.4 | -94.8 | -80.7 | 0 | 0 | 0 | 117.1 | ||
| 246 | D | 38.3 | Very low | 44.3 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -144.9 | 91.1 | 154.6 | -151.1 | -27.4 | 0 | 0 | 0 | 113.5 | ||
| 247 | S | 36.9 | Very low | 43.5 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -162.4 | 29.8 | 174.4 | -74.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 248 | R | 47.3 | Very low | 43.2 | Very low | 228 Ų | 228 | 138.1 Ų | 138.1 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -133.1 | 24.3 | -164.1 | -77 | -75.4 | -78.8 | -97.6 | -6.2 | 116 | ||||
| 249 | F | 34.8 | Very low | 42.3 | Very low | 212 Ų | 212 | 144.2 Ų | 144.2 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -76.3 | 133.2 | 158.7 | -99.9 | -82.9 | 0 | 0 | 0 | 111.3 | ||||
| 250 | K | 33.7 | Very low | 41.2 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | -118.7 | 109.8 | -146.8 | 174.1 | 175.7 | 160.9 | 166.6 | 0 | 111.7 | E252 | K250-E252 HydrophobicContact CD-CG 4.39Å; K250-E252 VanDerWaalsContact CE-CD 3.44Å; K250-E252 WeakPolarHBondContact CE-OE1 3.38Å; K250-E252 HydrophobicContact CG-CG 4.25Å; K250-E252 IonicContact NZ-OE1 2.71Å; K250-E252 PolarHBondContact NZ-OE1 3.27Å; K250-E252 PolarHBondContact O-N 3.21Å | ||
| 251 | K | 41.9 | Very low | 39.9 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -84.1 | 99.1 | 170.1 | -176.5 | 176.6 | 179.8 | 177.4 | 0 | 110 | ||||
| 252 | E | 33.3 | Very low | 38.6 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | trans | -83.9 | 149.4 | 167 | -81.5 | -76.1 | 175.5 | 0 | 0 | 111.1 | K250 | K250-E252 HydrophobicContact CD-CG 4.39Å; K250-E252 VanDerWaalsContact CE-CD 3.44Å; K250-E252 WeakPolarHBondContact CE-OE1 3.38Å; K250-E252 HydrophobicContact CG-CG 4.25Å; K250-E252 IonicContact NZ-OE1 2.71Å; K250-E252 PolarHBondContact NZ-OE1 3.27Å; K250-E252 PolarHBondContact O-N 3.21Å | ||
| 253 | H | 34.5 | Very low | 37.8 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | -150.1 | 114.2 | 176.4 | -159.5 | -62.3 | 0 | 0 | 0 | 109 | ||||
| 254 | V | 31.4 | Very low | 37.7 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -98.5 | 157.6 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 255 | A | 33.7 | Very low | 36.6 | Very low | 82 Ų | 82 | 152.5 Ų | 152.5 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -59.6 | 168.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 256 | M | 33.1 | Very low | 35.8 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | cis | -154.5 | 171.9 | 35.4 | -24.1 | -177.5 | -170.3 | 0 | 0 | 112.2 | ||||
| 257 | A | 34.1 | Very low | 36.6 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -119.8 | -170 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 258 | P | 48.4 | Very low | 37 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | cis | -140.3 | -166.5 | -3.2 | 29.3 | -3.2 | 0 | 0 | 0 | 115.5 | ||||
| 259 | R | 34.5 | Very low | 36.3 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | 108.5 | 114.3 | 149.9 | -54.4 | -62.6 | 172.4 | 147.2 | -3.8 | 120.3 | ||||
| 260 | M | 34.4 | Very low | 35.9 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | trans | 47.1 | 121.5 | 130.8 | -80.2 | 75 | 179.1 | 0 | 0 | 124.3 | ||||
| 261 | N | 30.9 | Very low | 35.7 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | 99.8 | 140 | 123.3 | -158.5 | 44.2 | 0 | 0 | 0 | 122.4 | |||||
| 262 | Y | 30.4 | Very low | 35.2 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | 60.1 | 163.4 | 154.9 | 99.3 | -61.8 | 0 | 0 | 0 | 125.4 | ||||
| 263 | E | 33.5 | Very low | 35.1 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -111.6 | -179 | -173.7 | -149.3 | -147.8 | 145.6 | 0 | 0 | 109.2 | ||||
| 264 | P | 50.4 | Low | 34.8 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -122.9 | -167.7 | -28.5 | 12.8 | 13 | 0 | 0 | 0 | 113.4 | ||||
| 265 | C | 27.7 | Very low | 35 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 101.6 | 172.6 | 143.9 | -143.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 266 | T | 29.2 | Very low | 35.6 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -130.8 | -170.3 | -151.9 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 267 | P | 55.3 | Low | 36.6 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -134.8 | -11.3 | -12.1 | 25.7 | -3.3 | 0 | 0 | 0 | 122.7 | ||||
| 268 | P | 44.2 | Very low | 36.8 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | -107.7 | 100.3 | -121.5 | 35.5 | -26.2 | 0 | 0 | 0 | 119.1 | |||||
| 269 | S | 31.7 | Very low | 36.1 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 45.9 | 124.8 | 137 | -59.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 270 | K | 27.8 | Very low | 36.2 | Very low | 203 Ų | 203 | 144.8 Ų | 144.8 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | 175.7 | 156.1 | 126.6 | -89.3 | 143.4 | -167.5 | 171.4 | 0 | 109.7 | |||||
| 271 | S | 29.9 | Very low | 36.6 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -178.2 | 155.4 | -30.7 | -94.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 272 | D | 29.7 | Very low | 36.7 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | 71.9 | 145 | 172.2 | -140.3 | -145.8 | 0 | 0 | 0 | 116 | ||||
| 273 | R | 32.8 | Very low | 36.8 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | cis | -139.5 | 126.8 | 3.9 | -173.2 | 138.3 | 60 | -137.8 | 10.6 | 114.8 | ||||
| 274 | G | 28.6 | Very low | 36.9 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 64.3 | 109.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 275 | K | 34.9 | Very low | 37 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -151 | 120.5 | 158.3 | -116.3 | -175.5 | -179 | -179.7 | 0 | 112.6 | ||||
| 276 | H | 45.6 | Very low | 37.7 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | 59.9 | -171.3 | 171.5 | -42.3 | -72.7 | 0 | 0 | 0 | 114.4 | ||||
| 277 | P | 54.6 | Low | 38.4 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | cis | -137.8 | -179.1 | -11.8 | 42.1 | -26 | 0 | 0 | 0 | 115.2 | ||||
| 278 | R | 39.1 | Very low | 37.3 | Very low | 215 Ų | 215 | 148.8 Ų | 148.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | -174.6 | 155.2 | 121.7 | -109.8 | -177.3 | 174.1 | -165.8 | -2.8 | 114.4 | |||||
| 279 | L | 33.5 | Very low | 36.7 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | -140.6 | -118.3 | 72.1 | -76.1 | 167.9 | 0 | 0 | 0 | 117.1 | |||||
| 280 | K | 35.9 | Very low | 36.6 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -145.2 | 161.8 | -162.7 | -53.9 | 105.9 | 68.1 | 176.6 | 0 | 110.2 | ||||
| 281 | R | 43.2 | Very low | 36.6 | Very low | 217 Ų | 217 | 145.7 Ų | 145.7 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | cis | -98.8 | -142.7 | -5.3 | -55.3 | -177.1 | -176.4 | -146.3 | 4.1 | 109.6 | ||||
| 282 | K | 32 | Very low | 36.6 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | cis | 87.5 | 144.2 | -25 | -6.9 | -61.3 | 153 | -132.4 | 0 | 121.4 | ||||
| 283 | A | 33.3 | Very low | 36.6 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | cis | -174.2 | 164.8 | -29.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 284 | S | 36.4 | Very low | 37.2 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -95.4 | 157 | 170.1 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | P | 51.1 | Low | 37.3 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -142.3 | 171.1 | 123.6 | 39.3 | -26.6 | 0 | 0 | 0 | 114.9 | |||||
| 286 | E | 43.8 | Very low | 37.1 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -80.8 | 164.4 | 170.9 | -65.6 | 178.1 | 97.3 | 0 | 0 | 113.4 | ||||
| 287 | P | 44 | Very low | 36.4 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -121.2 | 150.7 | 155 | 37.9 | -26.4 | 0 | 0 | 0 | 113.7 | ||||
| 288 | D | 32.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -120.7 | 170.4 | 172.1 | -160.6 | -25 | 0 | 0 | 0 | 108.4 | ||||
| 289 | G | 31.4 | Very low | 34.7 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 93.3 | 100.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 290 | E | 29.9 | Very low | 34.6 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -39.4 | 135.1 | 161.6 | 169.3 | 171.3 | 61.8 | 0 | 0 | 117.2 | ||||
| 291 | S | 27 | Very low | 34.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -179.2 | 140.2 | 137.3 | -86.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 292 | T | 30.3 | Very low | 33.9 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 63.4 | 129.1 | 153.7 | 53.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 293 | A | 30.1 | Very low | 33.9 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -83.9 | -177.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 294 | P | 43.9 | Very low | 34.2 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -151.7 | 177 | 21.1 | 45.1 | -24 | 0 | 0 | 0 | 120.5 | ||||
| 295 | K | 30.6 | Very low | 34.3 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 71.9 | 129.9 | 145.3 | -85.9 | 174.7 | 66.9 | 176.7 | 0 | 122.7 | ||||
| 296 | L | 32.1 | Very low | 34 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 109.6 | 124.9 | 129.3 | 87.2 | 101.9 | 0 | 0 | 0 | 121.7 | |||||
| 297 | N | 29.3 | Very low | 34.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 54.3 | 144.9 | 164.3 | -66.6 | 9.9 | 0 | 0 | 0 | 120.9 | ||||
| 298 | G | 29.1 | Very low | 33.9 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | 170.9 | 160.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 299 | D | 30.6 | Very low | 33.9 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 65.1 | 153.5 | 175.6 | -157.8 | -150 | 0 | 0 | 0 | 118.6 | Q301 | D299-Q301 PolarHBondContact OD1-NE2 2.88Å; D299-Q301 WeakPolarHBondContact OD2-CG 3.46Å; D299-Q301 PolarHBondContact OD2-NE2 3.23Å | ||
| 300 | G | 31.8 | Very low | 34 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 151.8 | -3.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 301 | Q | 32.7 | Very low | 35.5 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 59% | 0.593 | 79% | 0.789 | S | S | * | * | trans | 19.3 | 121.2 | 158.4 | -36.8 | 176.7 | 26.2 | 0 | 0 | 121.8 | D299 | D299-Q301 PolarHBondContact OD1-NE2 2.88Å; D299-Q301 WeakPolarHBondContact OD2-CG 3.46Å; D299-Q301 PolarHBondContact OD2-NE2 3.23Å | ||
| 302 | Q | 29.7 | Very low | 35.8 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -169.1 | 83 | 130.6 | -161.2 | 153.9 | 93.8 | 0 | 0 | 111.5 | ||||
| 303 | W | 32.7 | Very low | 36 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | 76.6 | 111.7 | 95.1 | -70.7 | 118.6 | 0 | 0 | 0 | 117 | |||||
| 304 | L | 39.1 | Very low | 37.1 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -111.7 | 154.2 | 164.9 | -72.8 | 168.5 | 0 | 0 | 0 | 110.1 | ||||
| 305 | P | 38.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -94.1 | 160.4 | 167.2 | 35.7 | -31.8 | 0 | 0 | 0 | 113.7 | ||||
| 306 | P | 45.5 | Very low | 38.3 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -110.3 | 173.6 | -166.4 | 41.9 | -35.8 | 0 | 0 | 0 | 115.9 | ||||
| 307 | P | 50.6 | Low | 39.2 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -98.9 | 154.5 | 171.6 | 37.8 | -33.1 | 0 | 0 | 0 | 114.2 | ||||
| 308 | A | 34.6 | Very low | 40.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -159.8 | 158.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 309 | E | 32.1 | Very low | 41.6 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -98.8 | 168 | -170.4 | -54.9 | 155 | 103.7 | 0 | 0 | 113.7 | ||||
| 310 | G | 34.9 | Very low | 41.6 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 157.9 | 131.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 311 | P | 61.3 | Low | 41.6 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -123.2 | 162.5 | -175.5 | 41.7 | -32.4 | 0 | 0 | 0 | 117.3 | ||||
| 312 | K | 32.2 | Very low | 41.7 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -165.5 | 158.3 | 152.5 | -140 | 162.2 | -179.8 | 172.5 | 0 | 114.6 | ||||
| 313 | M | 34.3 | Very low | 41.9 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -121.8 | -170.5 | 177.2 | -50.1 | -179.3 | -174.9 | 0 | 0 | 110.1 | ||||
| 314 | P | 54.1 | Low | 43.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -127.9 | -132.7 | 0.3 | 31.5 | -3.8 | 0 | 0 | 0 | 110.7 | ||||
| 315 | P | 59.5 | Low | 43.8 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -142.9 | 168.9 | -15 | 41.9 | -22 | 0 | 0 | 0 | 120 | ||||
| 316 | V | 39.3 | Very low | 43.7 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 71.3 | 144.3 | 144.6 | 164.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 317 | P | 50.7 | Low | 43 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -136.9 | -131.9 | -154 | 47.4 | -23.3 | 0 | 0 | 0 | 115.8 | ||||
| 318 | P | 62.6 | Low | 42.2 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -114.7 | -175.9 | -147.5 | 44.7 | -25.7 | 0 | 0 | 0 | 115.8 | ||||
| 319 | P | 47.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -147 | -177.1 | 92.2 | 37.9 | -19.6 | 0 | 0 | 0 | 113.6 | F321 | P319-F321 HydrophobicContact CB-CE2 4.39Š| |||
| 320 | G | 29.9 | Very low | 42.9 | Very low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | 165 | 168.3 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 321 | F | 33.2 | Very low | 43.1 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | 61.9 | 109.2 | 158.9 | -43.4 | -75.9 | 0 | 0 | 0 | 122.2 | P319 | P319-F321 HydrophobicContact CB-CE2 4.39Š| ||
| 322 | T | 34.4 | Very low | 42.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | 179.7 | 156.4 | 113.5 | 25.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 323 | S | 33.5 | Very low | 42.4 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -167.6 | 172.3 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 324 | P | 60.3 | Low | 42.2 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -101.1 | -125.5 | -18.2 | 42 | -29.9 | 0 | 0 | 0 | 108.5 | ||||
| 325 | P | 50.6 | Low | 41.4 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -72.8 | 178.3 | -13 | -15.8 | 33.5 | 0 | 0 | 0 | 113.9 | ||||
| 326 | S | 35.9 | Very low | 40.7 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | 91.7 | 76.6 | -0.7 | -49 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 327 | T | 32.3 | Very low | 41.1 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | 167.9 | 134.9 | 131.9 | -168 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 328 | I | 33.8 | Very low | 40.6 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | cis | -140.8 | 153.1 | -0.4 | -154.1 | 166.4 | 0 | 0 | 0 | 110.5 | ||||
| 329 | S | 35.3 | Very low | 39.2 | Very low | 74 Ų | 74 | 131 Ų | 131 | 52% | 0.517 | 78% | 0.777 | S | S | . | * | trans | -159.4 | 148.3 | 171.5 | -159.1 | 0 | 0 | 0 | 0 | 107.8 | H331 | S329-H331 PolarHBondContact OG-CD2 3.15Å; S329-H331 PolarHBondContact OG-NE2 3.13Å; S329-H331 VanDerWaalsContact OG-NE2 3.13Å | ||
| 330 | P | 46.2 | Very low | 39 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -128.7 | 140.5 | 72.6 | 12.4 | 11.1 | 0 | 0 | 0 | 113.2 | |||||
| 331 | H | 37.5 | Very low | 39.4 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 67.9 | 114.4 | 69.5 | -69.1 | -54.8 | 0 | 0 | 0 | 116.7 | S329 | S329-H331 PolarHBondContact OG-CD2 3.15Å; S329-H331 PolarHBondContact OG-NE2 3.13Å; S329-H331 VanDerWaalsContact OG-NE2 3.13Å | |||
| 332 | P | 43 | Very low | 40.3 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -91 | 130 | 158.2 | 34.1 | -30.6 | 0 | 0 | 0 | 112.4 | ||||
| 333 | R | 36.3 | Very low | 41 | Very low | 236 Ų | 236 | 133.6 Ų | 133.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -164.7 | 147.6 | 164.3 | -146.4 | 154.9 | -83.8 | -127.4 | 1.3 | 105 | ||||
| 334 | T | 30.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -146.3 | 171.3 | 49.2 | 50.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 335 | T | 38.3 | Very low | 42.2 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 165.4 | 171 | 38.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 336 | P | 44.8 | Very low | 42.9 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 163.7 | -166.6 | 36 | -37.8 | 0 | 0 | 0 | 114.5 | ||
| 337 | P | 47.9 | Very low | 44.4 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 133.5 | 156.8 | 34.2 | -29.4 | 0 | 0 | 0 | 110.8 | ||
| 338 | E | 40.2 | Very low | 46 | Very low | 191 Ų | 191 | 124.6 Ų | 124.6 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -99 | 123.3 | 169.3 | -171.6 | 178.1 | 122.8 | 0 | 0 | 109.2 | ||
| 339 | A | 32.4 | Very low | 47.7 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 79% | 0.793 | 71% | 0.709 | S | S | * | * | trans | -148.1 | 123.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 340 | Q | 42.6 | Very low | 49.3 | Very low | 189 Ų | 189 | 124 Ų | 124 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -74.1 | 138.3 | -171 | -55.2 | 141.3 | -39.9 | 0 | 0 | 112.2 | ||||
| 341 | N | 38.8 | Very low | 50.3 | Low | 164 Ų | 164 | 123.3 Ų | 123.3 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | -154.3 | 143.5 | 137.6 | -152.6 | -11.2 | 0 | 0 | 0 | 112 | Q343 | N341-Q343 PolarHBondContact O-N 3.43Š| ||
| 342 | G | 52.7 | Low | 51.4 | Low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | trans | -82.9 | 88.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S344 | G342-S344 PolarHBondContact O-N 3.22Š| ||
| 343 | Q | 48.4 | Very low | 52.1 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | trans | -76.1 | 90.3 | 178.8 | -161.9 | 170.4 | 38.3 | 0 | 0 | 112.1 | N341 A347 | N341-Q343 PolarHBondContact O-N 3.43Å; Q343-A347 HydrophobicContact CG-CB 4.1Å | ||
| 344 | S | 57.9 | Low | 53.1 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | trans | -55.2 | 137.4 | 169.4 | 176.8 | 0 | 0 | 0 | 0 | 111 | G342 M346 A347 | G342-S344 PolarHBondContact O-N 3.22Å; S344-M346 PolarHBondContact O-N 3.38Å; S344-A347 WeakPolarHBondContact O-CB 3.46Å; S344-A347 PolarHBondContact O-N 3.34Å | ||
| 345 | P | 61.8 | Low | 54.2 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.3 | -18 | -173 | 22.5 | -33.9 | 0 | 0 | 0 | 114.7 | A347 A348 L349 | P345-A347 VanDerWaalsContact C-N 3.25Å; P345-A347 PolarHBondContact O-N 3.13Å; P345-A348 PolarHBondContact O-N 3.37Å; P345-L349 PolarHBondContact O-N 3.34Å |
| 346 | M | 64.7 | Low | 54.8 | Low | 124 Ų | 124 | 110 Ų | 110 | 61% | 0.611 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -58.2 | -34 | 169.4 | -75.1 | -77.7 | -71.9 | 0 | 0 | 113 | S344 L349 I350 | S344-M346 PolarHBondContact O-N 3.38Å; M346-L349 PolarHBondContact O-N 2.88Å; M346-I350 WeakPolarHBondContact O-CG1 3.24Å; M346-I350 PolarHBondContact O-N 3.14Å; M346-I350 VanDerWaalsContact O-N 3.13Å |
| 347 | A | 66.8 | Low | 54.7 | Low | 37 Ų | 37 | 107.8 Ų | 107.8 | 31% | 0.306 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -68.8 | -37.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q343 S344 P345 L349 I350 M351 | Q343-A347 HydrophobicContact CG-CB 4.1Å; S344-A347 WeakPolarHBondContact O-CB 3.46Å; S344-A347 PolarHBondContact O-N 3.34Å; P345-A347 VanDerWaalsContact C-N 3.25Å; P345-A347 PolarHBondContact O-N 3.13Å; A347-L349 VanDerWaalsContact C-N 3.35Å; A347-I350 PolarHBondContact O-N 3.4Å; A347-M351 PolarHBondContact O-N 3.19Å |
| 348 | A | 66.3 | Low | 54.2 | Low | 54 Ų | 54 | 104.8 Ų | 104.8 | 45% | 0.446 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.2 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P345 A352 | P345-A348 PolarHBondContact O-N 3.37Å; A348-A352 WeakPolarHBondContact O-CB 3.41Å; A348-A352 PolarHBondContact O-N 3.27Å; A348-A352 VanDerWaalsContact O-N 3.13Å |
| 349 | L | 68.9 | Low | 54 | Low | 121 Ų | 121 | 103.9 Ų | 103.9 | 63% | 0.634 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.7 | -37.3 | 175.8 | -83 | 159.7 | 0 | 0 | 0 | 113.1 | P345 M346 A347 A353 | P345-L349 PolarHBondContact O-N 3.34Å; M346-L349 PolarHBondContact O-N 2.88Å; A347-L349 VanDerWaalsContact C-N 3.35Å; L349-A353 PolarHBondContact O-N 2.97Å |
| 350 | I | 69.1 | Low | 54.2 | Low | 101 Ų | 101 | 104.2 Ų | 104.2 | 52% | 0.518 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.7 | -51.1 | 177.5 | -66.8 | 164.3 | 0 | 0 | 0 | 110.3 | M346 A347 A352 A353 D354 | M346-I350 WeakPolarHBondContact O-CG1 3.24Å; M346-I350 PolarHBondContact O-N 3.14Å; M346-I350 VanDerWaalsContact O-N 3.13Å; A347-I350 PolarHBondContact O-N 3.4Å; I350-A352 PolarHBondContact O-N 3.02Å; I350-A352 VanDerWaalsContact O-N 3.15Å; I350-A353 WeakPolarHBondContact O-CB 3.49Å; I350-A353 PolarHBondContact O-N 3.47Å; I350-D354 PolarHBondContact O-N 2.99Å |
| 351 | M | 68.3 | Low | 54 | Low | 109 Ų | 109 | 100.7 Ų | 100.7 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.3 | -23.2 | 178.8 | -63.9 | -176.6 | -67.2 | 0 | 0 | 113.7 | A347 | A347-M351 PolarHBondContact O-N 3.19Å |
| 352 | A | 60.4 | Low | 54.3 | Low | 67 Ų | 67 | 98.9 Ų | 98.9 | 55% | 0.554 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.6 | -24.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A348 I350 | A348-A352 WeakPolarHBondContact O-CB 3.41Å; A348-A352 PolarHBondContact O-N 3.27Å; A348-A352 VanDerWaalsContact O-N 3.13Å; I350-A352 PolarHBondContact O-N 3.02Å; I350-A352 VanDerWaalsContact O-N 3.15Å |
| 353 | A | 58.2 | Low | 53.5 | Low | 65 Ų | 65 | 103.5 Ų | 103.5 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -79.3 | -41.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L349 I350 N355 A356 | L349-A353 PolarHBondContact O-N 2.97Å; I350-A353 WeakPolarHBondContact O-CB 3.49Å; I350-A353 PolarHBondContact O-N 3.47Å; A353-N355 PolarHBondContact O-N 3.04Å; A353-A356 PolarHBondContact O-N 3.32Å |
| 354 | D | 57 | Low | 52.8 | Low | 122 Ų | 122 | 103.1 Ų | 103.1 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.7 | -30.8 | 178.5 | -74.1 | -69.1 | 0 | 0 | 0 | 112.8 | I350 A356 G357 | I350-D354 PolarHBondContact O-N 2.99Å; D354-A356 PolarHBondContact O-N 2.84Å; D354-G357 PolarHBondContact O-N 3.45Å; D354-G357 VanDerWaalsContact O-N 3.16Å |
| 355 | N | 52.8 | Low | 51.5 | Low | 155 Ų | 155 | 103.4 Ų | 103.4 | 83% | 0.829 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -0.8 | 177.1 | -106.8 | -56.1 | 0 | 0 | 0 | 115 | A353 | A353-N355 PolarHBondContact O-N 3.04Š|
| 356 | A | 51 | Low | 50.1 | Low | 88 Ų | 88 | 106 Ų | 106 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 5.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A353 D354 G358 | A353-A356 PolarHBondContact O-N 3.32Å; D354-A356 PolarHBondContact O-N 2.84Å; A356-G358 VanDerWaalsContact C-N 3.34Å; A356-G358 PolarHBondContact O-N 3.49Å |
| 357 | G | 41.6 | Very low | 48.6 | Very low | 67 Ų | 67 | 108.9 Ų | 108.9 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | trans | -76.7 | 5.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | D354 | D354-G357 PolarHBondContact O-N 3.45Å; D354-G357 VanDerWaalsContact O-N 3.16Å | ||
| 358 | G | 38.9 | Very low | 47 | Very low | 64 Ų | 64 | 112.1 Ų | 112.1 | 66% | 0.66 | 70% | 0.696 | S | S | * | * | trans | 81.8 | 153.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118 | A356 | A356-G358 VanDerWaalsContact C-N 3.34Å; A356-G358 PolarHBondContact O-N 3.49Å | ||
| 359 | N | 35.2 | Very low | 45.6 | Very low | 172 Ų | 172 | 118.2 Ų | 118.2 | 92% | 0.92 | 72% | 0.715 | S | S | * | * | trans | -136.3 | 150 | 164.4 | -93.8 | 110.6 | 0 | 0 | 0 | 110.6 | ||||
| 360 | S | 37.4 | Very low | 43.8 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 151.5 | -173.5 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 361 | S | 37.7 | Very low | 42.2 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.1 | 161.8 | -45.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 362 | P | 44.8 | Very low | 40.5 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 161.9 | 133.5 | 33.9 | -30.4 | 0 | 0 | 0 | 110.2 | ||
| 363 | K | 36.9 | Very low | 39.2 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | trans | -119.1 | 165.2 | 177.3 | -164.7 | -176.6 | 162.5 | -90 | 0 | 109.5 | ||||
| 364 | D | 32.5 | Very low | 38.2 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | 80.4 | 132.6 | 166.2 | -57.2 | -62 | 0 | 0 | 0 | 115.5 | ||||
| 365 | G | 31.9 | Very low | 36.9 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 158.3 | 64.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q367 | G365-Q367 PolarHBondContact O-N 3.17Š| ||
| 366 | N | 32.1 | Very low | 36 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -67.2 | 112.6 | -176.8 | 174.7 | 52 | 0 | 0 | 0 | 112.2 | ||||
| 367 | Q | 32.1 | Very low | 35 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -147.8 | 122.8 | 164.6 | -163.2 | 159.4 | 107 | 0 | 0 | 112.4 | G365 | G365-Q367 PolarHBondContact O-N 3.17Š| ||
| 368 | V | 34.6 | Very low | 34.8 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -87.2 | 151.6 | 167.2 | -68.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 369 | H | 36.5 | Very low | 35 | Very low | 183 Ų | 183 | 137 Ų | 137 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | 177 | 162.3 | 128.1 | -93.7 | -64.3 | 0 | 0 | 0 | 110.2 | |||||
| 370 | S | 31.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -117.5 | 178.7 | -179.8 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 371 | T | 35 | Very low | 34.8 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | 86.3 | 157 | 173.1 | 79.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 372 | T | 32.9 | Very low | 35 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | cis | -170.6 | 139.1 | -41.7 | -87.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 373 | R | 32.3 | Very low | 34.5 | Very low | 206 Ų | 206 | 137 Ų | 137 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 79.6 | 159.7 | 175.4 | -42.5 | -173.4 | -164 | -118.1 | -5.9 | 116.6 | ||||
| 374 | R | 37.8 | Very low | 34.5 | Very low | 213 Ų | 213 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -171.1 | 151.4 | -28.4 | -99.6 | 164.8 | -160.1 | -111 | -1.6 | 108.1 | ||||
| 375 | N | 28.1 | Very low | 34.6 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 147.2 | 152.4 | 122.8 | -157.7 | 28.4 | 0 | 0 | 0 | 115.7 | |||||
| 376 | S | 35.2 | Very low | 34.5 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -23.9 | 154.4 | 173 | 61.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 377 | S | 30.5 | Very low | 34.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | -162 | 175.1 | 51.7 | 55 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 378 | S | 36 | Very low | 35 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -137.8 | 158.9 | -177.8 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 379 | P | 43.7 | Very low | 35 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -114.2 | 124.4 | 142.9 | 33.8 | -24.4 | 0 | 0 | 0 | 109.7 | ||||
| 380 | L | 33.6 | Very low | 35 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | 77.3 | 116.7 | 60.9 | -68.6 | -178.8 | 0 | 0 | 0 | 114.6 | |||||
| 381 | S | 35.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -114.4 | 155.9 | 172 | -45.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | P | 40.7 | Very low | 34.8 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -81.8 | 148.7 | 164.5 | 33.5 | -32.5 | 0 | 0 | 0 | 111.4 | ||||
| 383 | S | 34 | Very low | 34.8 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -162.3 | 137 | 174.1 | -73.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 384 | S | 37.5 | Very low | 34.6 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 171.5 | 150.4 | 164.7 | -84.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 385 | M | 35 | Very low | 34.1 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | cis | -157.5 | 165.9 | 11.3 | 45.9 | 179.9 | 169.1 | 0 | 0 | 106.8 | ||||
| 386 | N | 30.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | cis | -154.5 | 159.9 | 18.3 | -126.8 | -29.3 | 0 | 0 | 0 | 110 | ||||
| 387 | Q | 37 | Very low | 33.9 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -116.3 | 146.3 | 168.5 | -65.8 | -177.8 | 35.3 | 0 | 0 | 111.6 | ||||
| 388 | R | 36.5 | Very low | 34.1 | Very low | 249 Ų | 249 | 147.7 Ų | 147.7 | 94% | 0.94 | 83% | 0.829 | S | S | * | * | trans | -161.3 | 163.3 | 139.1 | -60 | -164.5 | -176.3 | -173.5 | 1 | 109 | ||||
| 389 | R | 35 | Very low | 33.8 | Very low | 233 Ų | 233 | 146.5 Ų | 146.5 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | cis | -169.1 | 149.7 | -47 | -167.5 | 177.6 | -160.2 | -90.6 | 3.3 | 106.2 | ||||
| 390 | L | 37.3 | Very low | 33.4 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 84% | 0.836 | S | S | * | * | trans | -69.9 | 149.3 | -176.9 | -58 | 82.4 | 0 | 0 | 0 | 114.3 | ||||
| 391 | T | 29.3 | Very low | 34 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 92% | 0.92 | 83% | 0.827 | S | S | * | * | trans | -140.6 | 165.2 | 139.2 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 392 | Q | 32.3 | Very low | 33.7 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -144.6 | 140.6 | -171.9 | 168.9 | -170.7 | -1 | 0 | 0 | 109.3 | ||||
| 393 | R | 34.1 | Very low | 33.3 | Very low | 207 Ų | 207 | 147.3 Ų | 147.3 | 78% | 0.781 | 83% | 0.826 | S | S | * | * | trans | 171.9 | 138.6 | 136 | -94 | 177.8 | 93.2 | 163.2 | 9.8 | 112.2 | ||||
| 394 | E | 26.4 | Very low | 33.8 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | 33 | 142.6 | 138.3 | -51.2 | 179.7 | 103.6 | 0 | 0 | 120.2 | ||||
| 395 | A | 28.7 | Very low | 33.5 | Very low | 88 Ų | 88 | 145 Ų | 145 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | cis | -160.1 | 167.1 | 30 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 396 | S | 29.6 | Very low | 33.5 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | 30.5 | 127.6 | 146.5 | -54.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 397 | G | 28.1 | Very low | 33.7 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 172 | 112.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 398 | A | 36.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 146 Ų | 146 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -112.5 | 143.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 399 | G | 28.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 173.7 | 101 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 400 | T | 36.2 | Very low | 33.6 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -107 | 148.6 | 150.8 | 47.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 401 | P | 46.8 | Very low | 34.3 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | -155 | 160.3 | 87.6 | 40.6 | -21.1 | 0 | 0 | 0 | 118.1 | |||||
| 402 | Q | 28.2 | Very low | 34.6 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 54.6 | 113.2 | 137.3 | -69.5 | 175 | -107.2 | 0 | 0 | 124.1 | ||||
| 403 | V | 32.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | 29.1 | 161.9 | 122 | -65.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 404 | P | 44 | Very low | 35.1 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -139.4 | 159.1 | -31.3 | 34.9 | -17.1 | 0 | 0 | 0 | 116.1 | ||||
| 405 | G | 30.4 | Very low | 36.2 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 80.4 | 128.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 406 | M | 36.6 | Very low | 36.4 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | trans | -157.1 | 156 | 135.8 | 56.3 | -175.6 | 63.9 | 0 | 0 | 110.6 | ||||
| 407 | D | 33.2 | Very low | 37 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -78.6 | 148 | -176.9 | 177.8 | -96 | 0 | 0 | 0 | 112.6 | V409 | D407-V409 WeakPolarHBondContact OD1-CG2 3.31Š| ||
| 408 | Q | 35.8 | Very low | 37.7 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -153.5 | 130.4 | 158.9 | -152.2 | 165.9 | 116.5 | 0 | 0 | 111.1 | ||||
| 409 | V | 35.8 | Very low | 38.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | trans | -104.6 | 164.8 | -167.3 | 166.4 | 0 | 0 | 0 | 0 | 112.3 | D407 | D407-V409 WeakPolarHBondContact OD1-CG2 3.31Š| ||
| 410 | H | 35.6 | Very low | 39.2 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 95.8 | 153.3 | 168.3 | -114.6 | 48.3 | 0 | 0 | 0 | 115.9 | ||||
| 411 | P | 51.1 | Low | 39.9 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | -142.5 | -164.5 | -101.1 | 41.8 | -21.3 | 0 | 0 | 0 | 115.6 | |||||
| 412 | Q | 36.1 | Very low | 40.4 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | 107.1 | 152.2 | 167.9 | -60.6 | -161.8 | 3.7 | 0 | 0 | 116.7 | ||||
| 413 | S | 31 | Very low | 42.6 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | 72.8 | 83.4 | 162.2 | -55.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 414 | I | 46.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 123.4 Ų | 123.4 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -134.1 | 142.5 | 153 | -73.7 | -176.8 | 0 | 0 | 0 | 105.7 | ||||
| 415 | P | 49 | Very low | 46.9 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | cis | -118 | 144 | 16.6 | 37.1 | -24.1 | 0 | 0 | 0 | 115.9 | ||||
| 416 | D | 33.7 | Very low | 49.9 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -88.2 | 120.4 | 149.7 | -177.4 | -101 | 0 | 0 | 0 | 108.9 | S418 | D416-S418 PolarHBondContact O-N 2.98Å; D416-S418 PolarHBondContact O-OG 2.9Å | ||
| 417 | S | 41 | Very low | 52.7 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | trans | -74.4 | 73.9 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | V419 | S417-V419 PolarHBondContact O-N 2.98Š| ||
| 418 | S | 42.4 | Very low | 55.7 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | trans | -74.9 | 83.1 | -175.9 | 30.9 | 0 | 0 | 0 | 0 | 111.5 | D416 P420 | D416-S418 PolarHBondContact O-N 2.98Å; D416-S418 PolarHBondContact O-OG 2.9Å; S418-P420 VanDerWaalsContact O-CD 3.3Å; S418-P420 WeakPolarHBondContact O-CD 3.34Å | ||
| 419 | V | 48.1 | Very low | 58.5 | Low | 108 Ų | 108 | 102 Ų | 102 | 66% | 0.655 | 61% | 0.614 | S | S | * | * | trans | -83.6 | 107.3 | 165.7 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | S417 G421 | S417-V419 PolarHBondContact O-N 2.98Å; V419-G421 PolarHBondContact O-N 2.74Å | ||
| 420 | P | 49.2 | Very low | 61.3 | Low | 130 Ų | 130 | 99 Ų | 99 | 84% | 0.844 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 86.1 | -169.3 | 33.2 | -34.8 | 0 | 0 | 0 | 111.4 | S418 | S418-P420 VanDerWaalsContact O-CD 3.3Å; S418-P420 WeakPolarHBondContact O-CD 3.34Å |
| 421 | G | 49.4 | Very low | 64.1 | Low | 72 Ų | 72 | 97.3 Ų | 97.3 | 74% | 0.742 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174 | -26.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | V419 I423 | V419-G421 PolarHBondContact O-N 2.74Å; G421-I423 PolarHBondContact O-N 3.47Å |
| 422 | S | 58.2 | Low | 66.2 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 58% | 0.58 | 59% | 0.588 | S | S | * | * | trans | -81 | 115.8 | 175.3 | 38 | 0 | 0 | 0 | 0 | 110.7 | P424 | S422-P424 WeakPolarHBondContact O-CD 3.4Š| ||
| 423 | I | 73.5 | Confident | 68.9 | Low | 153 Ų | 153 | 98.4 Ų | 98.4 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.9 | 161.2 | -61.3 | 172.9 | 0 | 0 | 0 | 106.1 | G421 L425 | G421-I423 PolarHBondContact O-N 3.47Å; I423-L425 PolarHBondContact O-N 2.9Å |
| 424 | P | 77.8 | Confident | 71.8 | Confident | 77 Ų | 77 | 93.3 Ų | 93.3 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 127.1 | -176.7 | 23.7 | -32.9 | 0 | 0 | 0 | 109.5 | S422 C426 R433 | S422-P424 WeakPolarHBondContact O-CD 3.4Å; P424-C426 PolarHBondContact O-N 3.07Å; P424-R433 HydrophobicContact CB-CG 4.22Å |
| 425 | L | 89.6 | Confident | 73.6 | Confident | 64 Ų | 64 | 91.4 Ų | 91.4 | 34% | 0.335 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 132.1 | 174.2 | -60.7 | -178.8 | 0 | 0 | 0 | 108.4 | I423 L434 F439 K449 | I423-L425 PolarHBondContact O-N 2.9Å; L425-L434 HydrophobicContact CB-CB 4.2Å; L425-L434 HydrophobicContact CB-CD1 4.1Å; L425-L434 WeakPolarHBondContact O-CB 3.39Å; L425-L434 PolarHBondContact O-N 3.47Å; L425-F439 HydrophobicContact CD1-CE1 4.09Å; L425-F439 HydrophobicContact CD1-CE2 4.37Å; L425-F439 HydrophobicContact CD1-CZ 3.82Å; L425-K449 HydrophobicContact CB-CD 4.47Å; L425-K449 HydrophobicContact CD1-CD 4.47Å; L425-K449 HydrophobicContact CD2-CD 4.13Å |
| 426 | C | 94 | Very high | 74.5 | Confident | 61 Ų | 61 | 92 Ų | 92 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | B | Isolated β-bridge | trans | -113.2 | 150.7 | 177.8 | -74.1 | 0 | 0 | 0 | 0 | 111.2 | P424 H431 E432 | P424-C426 PolarHBondContact O-N 3.07Å; C426-H431 PolarHBondContact SG-O 2.93Å; C426-E432 CarbonylContact C-O 3.59Å; C426-E432 WeakPolarHBondContact CA-O 3.28Å |
| 427 | C | 95.1 | Very high | 76.6 | Confident | 1 Ų | 1 | 91.1 Ų | 91.1 | 1% | 0.007 | 53% | 0.527 | C | S | . | . | trans | -67.8 | 133.7 | 173 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | L429 C430 H431 E432 L434 K449 C451 | C427-L429 PolarHBondContact O-N 2.84Å; C427-L429 PolarHBondContact SG-N 3.23Å; C427-C430 WeakPolarHBondContact CB-SG 3.38Å; C427-C430 PolarHBondContact SG-SG 3.11Å; C427-H431 WeakPolarHBondContact O-CA 3.35Å; C427-H431 PolarHBondContact O-N 3.41Å; C427-H431 PolarHBondContact O-ND1 3.41Å; C427-E432 PolarHBondContact N-O 3.46Å; C427-L434 HydrophobicContact CB-CD2 3.79Å; C427-L434 HydrophobicContact CB-CG 4.48Å; C427-K449 CarbonylContact C-O 3.57Å; C427-K449 WeakPolarHBondContact CA-O 3.23Å; C427-C451 HydrophobicContact CB-CB 4.49Å; C427-C451 PolarHBondContact SG-N 2.91Å; C427-C451 VanDerWaalsContact SG-N 3.44Å | ||
| 428 | T | 95.5 | Very high | 78.9 | Confident | 46 Ų | 46 | 90.5 Ų | 90.5 | 28% | 0.282 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.1 | 176.1 | -43.2 | 0 | 0 | 0 | 0 | 112.6 | H431 S447 H448 K449 | T428-H431 PolarHBondContact O-CE1 3.26Å; T428-S447 PolarHBondContact OG1-O 3.19Å; T428-H448 WeakPolarHBondContact OG1-CA 3.44Å; T428-K449 PolarHBondContact N-O 2.91Å; T428-K449 PolarHBondContact OG1-N 2.77Å; T428-K449 PolarHBondContact OG1-O 2.98Å; T428-K449 VanDerWaalsContact OG1-O 3.1Å |
| 429 | L | 95.6 | Very high | 81.3 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -40.1 | -173.2 | -67.2 | 169.7 | 0 | 0 | 0 | 114.5 | C427 F450 C454 P471 | C427-L429 PolarHBondContact O-N 2.84Å; C427-L429 PolarHBondContact SG-N 3.23Å; L429-F450 HydrophobicContact CD1-CD1 3.56Å; L429-F450 HydrophobicContact CD1-CE1 3.93Å; L429-F450 HydrophobicContact CG-CD1 3.78Å; L429-F450 HydrophobicContact CG-CE1 3.93Å; L429-C454 HydrophobicContact CB-CB 4.09Å; L429-C454 HydrophobicContact CD1-CB 3.75Å; L429-P471 HydrophobicContact CD1-CB 3.92Å |
| 430 | C | 95.4 | Very high | 83.5 | Confident | 43 Ų | 43 | 83.9 Ų | 83.9 | 29% | 0.291 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -6.1 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | C427 E432 | C427-C430 WeakPolarHBondContact CB-SG 3.38Å; C427-C430 PolarHBondContact SG-SG 3.11Å; C430-E432 HydrophobicContact CB-CG 4.18Å; C430-E432 PolarHBondContact O-N 3.05Å; C430-E432 PolarHBondContact SG-OE2 2.77Å |
| 431 | H | 94.2 | Very high | 85.7 | Confident | 139 Ų | 139 | 81.6 Ų | 81.6 | 64% | 0.644 | 44% | 0.441 | S | S | * | . | trans | 59.7 | -2.1 | -176.4 | -55.2 | -46.7 | 0 | 0 | 0 | 116.8 | C426 C427 T428 | C426-H431 PolarHBondContact SG-O 2.93Å; C427-H431 WeakPolarHBondContact O-CA 3.35Å; C427-H431 PolarHBondContact O-N 3.41Å; C427-H431 PolarHBondContact O-ND1 3.41Å; T428-H431 PolarHBondContact O-CE1 3.26Å | ||
| 432 | E | 93.4 | Very high | 87.8 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 150.7 | 170.6 | -59.9 | 175.6 | 125.5 | 0 | 0 | 111.9 | C426 C427 C430 L434 | C426-E432 CarbonylContact C-O 3.59Å; C426-E432 WeakPolarHBondContact CA-O 3.28Å; C427-E432 PolarHBondContact N-O 3.46Å; C430-E432 HydrophobicContact CB-CG 4.18Å; C430-E432 PolarHBondContact O-N 3.05Å; C430-E432 PolarHBondContact SG-OE2 2.77Å; E432-L434 PolarHBondContact O-N 3.27Å |
| 433 | R | 93.2 | Very high | 89.5 | Confident | 169 Ų | 169 | 77.5 Ų | 77.5 | 64% | 0.638 | 40% | 0.4 | S | S | * | . | B | Isolated β-bridge | trans | -62.2 | 132.4 | 173.5 | 174.7 | 179.7 | 167.6 | -164.1 | -3.8 | 109.8 | P424 | P424-R433 HydrophobicContact CB-CG 4.22Å |
| 434 | L | 93.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 136.6 | 171.8 | -58.8 | 174.2 | 0 | 0 | 0 | 109.8 | L425 C427 E432 F439 K449 C451 | L425-L434 HydrophobicContact CB-CB 4.2Å; L425-L434 HydrophobicContact CB-CD1 4.1Å; L425-L434 WeakPolarHBondContact O-CB 3.39Å; L425-L434 PolarHBondContact O-N 3.47Å; C427-L434 HydrophobicContact CB-CD2 3.79Å; C427-L434 HydrophobicContact CB-CG 4.48Å; E432-L434 PolarHBondContact O-N 3.27Å; L434-F439 HydrophobicContact CB-CB 4.22Å; L434-F439 HydrophobicContact CB-CD1 4.34Å; L434-F439 HydrophobicContact CB-CG 4.44Å; L434-F439 HydrophobicContact CD1-CB 3.8Å; L434-F439 HydrophobicContact CD1-CD2 4.29Å; L434-F439 HydrophobicContact CD1-CG 4Å; L434-F439 HydrophobicContact CD2-CB 3.98Å; L434-F439 HydrophobicContact CG-CB 4.21Å; L434-K449 HydrophobicContact CD1-CB 3.62Å; L434-C451 HydrophobicContact CD2-CB 3.6Å |
| 435 | E | 84.9 | Confident | 91.2 | Very high | 124 Ų | 124 | 69.5 Ų | 69.5 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 141.4 | 166.8 | -61.3 | 173.9 | 179.9 | 0 | 0 | 109.4 | T437 H438 F439 | E435-T437 PolarHBondContact O-N 2.94Å; E435-H438 HydrophobicContact CB-CB 4.3Å; E435-H438 PolarHBondContact O-N 3.24Å; E435-H438 VanDerWaalsContact O-N 3.08Å; E435-H438 IonicContact OE2-CE1 2.72Å; E435-H438 IonicContact OE2-CG 2.73Å; E435-H438 IonicContact OE2-ND1 3.85Å; E435-H438 PolarHBondContact OE2-ND1 3.02Å; E435-F439 WeakPolarHBondContact O-CD1 3.2Å |
| 436 | D | 66.6 | Low | 91.3 | Very high | 121 Ų | 121 | 70.9 Ų | 70.9 | 65% | 0.647 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.8 | -165.2 | -57.7 | -91.3 | 0 | 0 | 0 | 115.4 | ||
| 437 | T | 78.9 | Confident | 91.2 | Very high | 106 Ų | 106 | 72 Ų | 72 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -7.5 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | E435 | E435-T437 PolarHBondContact O-N 2.94Š|
| 438 | H | 87.9 | Confident | 91.2 | Very high | 91 Ų | 91 | 73 Ų | 73 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -116.8 | 44.6 | -167.5 | -55.4 | 137.5 | 0 | 0 | 0 | 114 | E435 F452 | E435-H438 HydrophobicContact CB-CB 4.3Å; E435-H438 PolarHBondContact O-N 3.24Å; E435-H438 VanDerWaalsContact O-N 3.08Å; E435-H438 IonicContact OE2-CE1 2.72Å; E435-H438 IonicContact OE2-CG 2.73Å; E435-H438 IonicContact OE2-ND1 3.85Å; E435-H438 PolarHBondContact OE2-ND1 3.02Å; H438-F452 VanDerWaalsContact C-CD1 3.5Å; H438-F452 VanDerWaalsContact O-CD1 3.27Å; H438-F452 WeakPolarHBondContact O-CD1 3.47Å; H438-F452 PolarHBondContact O-N 3.13Å |
| 439 | F | 93.9 | Very high | 91.2 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 151.9 | 175.2 | 69.1 | -84.6 | 0 | 0 | 0 | 112.8 | L425 L434 E435 Q441 K449 F450 | L425-F439 HydrophobicContact CD1-CE1 4.09Å; L425-F439 HydrophobicContact CD1-CE2 4.37Å; L425-F439 HydrophobicContact CD1-CZ 3.82Å; L434-F439 HydrophobicContact CB-CB 4.22Å; L434-F439 HydrophobicContact CB-CD1 4.34Å; L434-F439 HydrophobicContact CB-CG 4.44Å; L434-F439 HydrophobicContact CD1-CB 3.8Å; L434-F439 HydrophobicContact CD1-CD2 4.29Å; L434-F439 HydrophobicContact CD1-CG 4Å; L434-F439 HydrophobicContact CD2-CB 3.98Å; L434-F439 HydrophobicContact CG-CB 4.21Å; E435-F439 WeakPolarHBondContact O-CD1 3.2Å; F439-Q441 HydrophobicContact CD2-CB 4.25Å; F439-Q441 HydrophobicContact CE2-CB 4.02Å; F439-K449 HydrophobicContact CD2-CB 4.47Å; F439-F450 CarbonylContact C-O 3.51Å; F439-F450 VanDerWaalsContact CA-O 3.25Å; F439-F450 WeakPolarHBondContact CA-O 3.38Å; F439-F450 WeakPolarHBondContact CB-O 3.49Å |
| 440 | V | 94.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 68.4 Ų | 68.4 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132 | 168.1 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | K449 F450 F452 S455 W485 F487 I495 | V440-K449 CarbonylContact O-C 3.59Å; V440-K449 WeakPolarHBondContact O-CA 3.29Å; V440-F450 PolarHBondContact N-O 3.35Å; V440-F450 PolarHBondContact O-N 3.34Å; V440-F452 HydrophobicContact CG2-CD1 4.32Å; V440-F452 HydrophobicContact CG2-CE1 4.22Å; V440-S455 WeakPolarHBondContact CG2-OG 3.39Å; V440-W485 HydrophobicContact CG1-CH2 3.81Å; V440-W485 HydrophobicContact CG1-CZ2 4.28Å; V440-F487 HydrophobicContact CB-CE1 4.31Å; V440-F487 HydrophobicContact CG1-CE1 3.58Å; V440-F487 HydrophobicContact CG1-CZ 3.86Å; V440-F487 HydrophobicContact CG2-CE1 3.85Å; V440-F487 HydrophobicContact CG2-CZ 4.28Å; V440-I495 HydrophobicContact CG2-CD1 3.69Å |
| 441 | Q | 94.7 | Very high | 91.2 | Very high | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.4 | 169.9 | 176.3 | 172 | -27.9 | 0 | 0 | 110.2 | F439 H448 K449 | F439-Q441 HydrophobicContact CD2-CB 4.25Å; F439-Q441 HydrophobicContact CE2-CB 4.02Å; Q441-H448 WeakPolarHBondContact CA-O 3.41Å; Q441-K449 HydrophobicContact CB-CG 4.34Å; Q441-K449 HydrophobicContact CG-CG 4.15Å |
| 442 | C | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -67.2 | 130 | 172.7 | -173 | 0 | 0 | 0 | 0 | 110.3 | S444 H448 W485 | C442-S444 PolarHBondContact O-N 2.76Å; C442-H448 HydrophobicContact CB-CB 3.55Å; C442-H448 PolarHBondContact N-O 3.16Å; C442-W485 HydrophobicContact CB-CE3 4.22Å; C442-W485 HydrophobicContact CB-CZ3 3.89Å; C442-W485 VanDerWaalsContact SG-CE3 3.51Å | ||
| 443 | P | 93.2 | Very high | 91.3 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69.1 | -22.8 | 177.6 | 28.5 | -35.3 | 0 | 0 | 0 | 112.9 | L478 W485 | P443-L478 HydrophobicContact CG-CD2 3.87Å; P443-W485 VanDerWaalsContact CD-CD2 3.42Å; P443-W485 HydrophobicContact CG-CB 4.26Å; P443-W485 HydrophobicContact CG-CD2 3.87Å; P443-W485 HydrophobicContact CG-CG 3.65Å |
| 444 | S | 92.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -88.1 | -37.1 | -177.5 | -46.1 | 0 | 0 | 0 | 0 | 113.6 | C442 P477 | C442-S444 PolarHBondContact O-N 2.76Å; S444-P477 WeakPolarHBondContact CB-O 3.37Å; S444-P477 VanDerWaalsContact OG-C 3.31Å; S444-P477 PolarHBondContact OG-O 3.11Å |
| 445 | V | 93.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | trans | -127 | 103 | -170.5 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | S447 H448 | V445-S447 VanDerWaalsContact CG1-OG 3.28Å; V445-S447 WeakPolarHBondContact CG1-OG 3.37Å; V445-S447 PolarHBondContact O-N 2.92Å; V445-S447 VanDerWaalsContact O-N 3.17Å; V445-H448 HydrophobicContact CB-CB 4.12Å; V445-H448 HydrophobicContact CG1-CB 4.13Å; V445-H448 WeakPolarHBondContact O-CB 3.35Å; V445-H448 PolarHBondContact O-N 2.93Å | ||
| 446 | P | 91.8 | Very high | 92 | Very high | 94 Ų | 94 | 49.8 Ų | 49.8 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.9 | -170.4 | 27 | -35.1 | 0 | 0 | 0 | 114.5 | K449 | P446-K449 WeakPolarHBondContact O-CE 3.42Š|
| 447 | S | 92.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 58% | 0.58 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.6 | 171.1 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | T428 V445 K449 | T428-S447 PolarHBondContact OG1-O 3.19Å; V445-S447 VanDerWaalsContact CG1-OG 3.28Å; V445-S447 WeakPolarHBondContact CG1-OG 3.37Å; V445-S447 PolarHBondContact O-N 2.92Å; V445-S447 VanDerWaalsContact O-N 3.17Å; S447-K449 PolarHBondContact O-N 2.74Å |
| 448 | H | 94.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | trans | -84.3 | 98.2 | 175.5 | -73.6 | 174.9 | 0 | 0 | 0 | 109.6 | T428 Q441 C442 V445 F450 S472 E474 | T428-H448 WeakPolarHBondContact OG1-CA 3.44Å; Q441-H448 WeakPolarHBondContact CA-O 3.41Å; C442-H448 HydrophobicContact CB-CB 3.55Å; C442-H448 PolarHBondContact N-O 3.16Å; V445-H448 HydrophobicContact CB-CB 4.12Å; V445-H448 HydrophobicContact CG1-CB 4.13Å; V445-H448 WeakPolarHBondContact O-CB 3.35Å; V445-H448 PolarHBondContact O-N 2.93Å; H448-F450 HydrophobicContact CB-CE2 3.8Å; H448-F450 HydrophobicContact CB-CZ 3.63Å; H448-F450 AromaticContact CG-CZ 3.98Å; H448-S472 PolarHBondContact CE1-OG 3.14Å; H448-S472 PolarHBondContact ND1-OG 3.03Å; H448-E474 IonicContact CE1-OE2 2.81Å; H448-E474 PolarHBondContact CE1-OE2 3.43Å | ||
| 449 | K | 95.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.3 | 179.3 | -65.3 | 168.9 | 176 | -81.2 | 0 | 108 | L425 C427 T428 L434 F439 V440 Q441 P446 S447 | L425-K449 HydrophobicContact CB-CD 4.47Å; L425-K449 HydrophobicContact CD1-CD 4.47Å; L425-K449 HydrophobicContact CD2-CD 4.13Å; C427-K449 CarbonylContact C-O 3.57Å; C427-K449 WeakPolarHBondContact CA-O 3.23Å; T428-K449 PolarHBondContact N-O 2.91Å; T428-K449 PolarHBondContact OG1-N 2.77Å; T428-K449 PolarHBondContact OG1-O 2.98Å; T428-K449 VanDerWaalsContact OG1-O 3.1Å; L434-K449 HydrophobicContact CD1-CB 3.62Å; F439-K449 HydrophobicContact CD2-CB 4.47Å; V440-K449 CarbonylContact O-C 3.59Å; V440-K449 WeakPolarHBondContact O-CA 3.29Å; Q441-K449 HydrophobicContact CB-CG 4.34Å; Q441-K449 HydrophobicContact CG-CG 4.15Å; P446-K449 WeakPolarHBondContact O-CE 3.42Å; S447-K449 PolarHBondContact O-N 2.74Å |
| 450 | F | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131 | -169.6 | -49.5 | -73 | 0 | 0 | 0 | 110 | L429 F439 V440 H448 S455 P471 | L429-F450 HydrophobicContact CD1-CD1 3.56Å; L429-F450 HydrophobicContact CD1-CE1 3.93Å; L429-F450 HydrophobicContact CG-CD1 3.78Å; L429-F450 HydrophobicContact CG-CE1 3.93Å; F439-F450 CarbonylContact C-O 3.51Å; F439-F450 VanDerWaalsContact CA-O 3.25Å; F439-F450 WeakPolarHBondContact CA-O 3.38Å; F439-F450 WeakPolarHBondContact CB-O 3.49Å; V440-F450 PolarHBondContact N-O 3.35Å; V440-F450 PolarHBondContact O-N 3.34Å; H448-F450 HydrophobicContact CB-CE2 3.8Å; H448-F450 HydrophobicContact CB-CZ 3.63Å; H448-F450 AromaticContact CG-CZ 3.98Å; F450-S455 VanDerWaalsContact CB-OG 3.29Å; F450-S455 WeakPolarHBondContact CB-OG 3.39Å; F450-P471 HydrophobicContact CD1-CB 3.88Å; F450-P471 HydrophobicContact CD2-CB 3.95Å; F450-P471 HydrophobicContact CD2-CG 3.79Å; F450-P471 HydrophobicContact CE1-CB 3.96Å; F450-P471 HydrophobicContact CE2-CB 4.06Å; F450-P471 HydrophobicContact CE2-CG 4.06Å; F450-P471 HydrophobicContact CG-CB 3.85Å; F450-P471 HydrophobicContact CG-CG 4.05Å; F450-P471 HydrophobicContact CZ-CB 4.05Å |
| 451 | C | 95.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 157.1 | 170.4 | 65.4 | 0 | 0 | 0 | 0 | 110 | C427 L434 P453 C454 S455 | C427-C451 HydrophobicContact CB-CB 4.49Å; C427-C451 PolarHBondContact SG-N 2.91Å; C427-C451 VanDerWaalsContact SG-N 3.44Å; L434-C451 HydrophobicContact CD2-CB 3.6Å; C451-P453 VanDerWaalsContact C-N 3.34Å; C451-C454 PolarHBondContact O-N 3.47Å; C451-C454 PolarHBondContact SG-N 3.07Å; C451-C454 PolarHBondContact SG-SG 3.14Å; C451-S455 WeakPolarHBondContact O-CB 3.41Å; C451-S455 PolarHBondContact O-N 2.74Å; C451-S455 PolarHBondContact O-OG 3.01Å |
| 452 | F | 95 | Very high | 94.2 | Very high | 56 Ų | 56 | 49 Ų | 49 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -40.5 | 177.3 | -83.2 | 25.5 | 0 | 0 | 0 | 113.2 | H438 V440 S455 R456 I495 | H438-F452 VanDerWaalsContact C-CD1 3.5Å; H438-F452 VanDerWaalsContact O-CD1 3.27Å; H438-F452 WeakPolarHBondContact O-CD1 3.47Å; H438-F452 PolarHBondContact O-N 3.13Å; V440-F452 HydrophobicContact CG2-CD1 4.32Å; V440-F452 HydrophobicContact CG2-CE1 4.22Å; F452-S455 PolarHBondContact O-N 3.08Å; F452-R456 WeakPolarHBondContact O-CB 3.49Å; F452-R456 PolarHBondContact O-N 2.86Å; F452-I495 HydrophobicContact CE2-CG1 4.46Å; F452-I495 HydrophobicContact CZ-CG1 4.48Å |
| 453 | P | 94.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.9 | -51.8 | 173.6 | -29.2 | 36.5 | 0 | 0 | 0 | 114.8 | C451 S455 R456 E457 | C451-P453 VanDerWaalsContact C-N 3.34Å; P453-S455 PolarHBondContact O-N 3.03Å; P453-R456 WeakPolarHBondContact O-CB 3.25Å; P453-R456 PolarHBondContact O-N 3.15Å; P453-E457 PolarHBondContact O-N 2.81Å; P453-E457 VanDerWaalsContact O-N 3.1Å |
| 454 | C | 95.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | L429 C451 E457 S458 | L429-C454 HydrophobicContact CB-CB 4.09Å; L429-C454 HydrophobicContact CD1-CB 3.75Å; C451-C454 PolarHBondContact O-N 3.47Å; C451-C454 PolarHBondContact SG-N 3.07Å; C451-C454 PolarHBondContact SG-SG 3.14Å; C454-E457 PolarHBondContact O-N 2.89Å; C454-S458 PolarHBondContact O-N 2.94Å; C454-S458 VanDerWaalsContact O-N 3.13Å |
| 455 | S | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | V440 F450 C451 F452 P453 E457 S458 I459 | V440-S455 WeakPolarHBondContact CG2-OG 3.39Å; F450-S455 VanDerWaalsContact CB-OG 3.29Å; F450-S455 WeakPolarHBondContact CB-OG 3.39Å; C451-S455 WeakPolarHBondContact O-CB 3.41Å; C451-S455 PolarHBondContact O-N 2.74Å; C451-S455 PolarHBondContact O-OG 3.01Å; F452-S455 PolarHBondContact O-N 3.08Å; P453-S455 PolarHBondContact O-N 3.03Å; S455-E457 PolarHBondContact O-N 2.89Å; S455-S458 PolarHBondContact O-N 3.44Å; S455-I459 WeakPolarHBondContact O-CD1 3.34Å; S455-I459 VanDerWaalsContact O-CG1 3.26Å; S455-I459 WeakPolarHBondContact O-CG1 3.22Å; S455-I459 PolarHBondContact O-N 2.94Å |
| 456 | R | 94.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.2 | -177.7 | -177.1 | -64.7 | 164.2 | 6.3 | 112.4 | F452 P453 I459 K460 I495 L496 G498 D499 | F452-R456 WeakPolarHBondContact O-CB 3.49Å; F452-R456 PolarHBondContact O-N 2.86Å; P453-R456 WeakPolarHBondContact O-CB 3.25Å; P453-R456 PolarHBondContact O-N 3.15Å; R456-I459 PolarHBondContact O-N 3.08Å; R456-K460 WeakPolarHBondContact O-CG 3.25Å; R456-K460 PolarHBondContact O-N 2.7Å; R456-I495 HydrophobicContact CB-CG2 3.85Å; R456-I495 VanDerWaalsContact CZ-O 3.29Å; R456-I495 PolarHBondContact NE-O 3.16Å; R456-I495 PolarHBondContact NH2-O 2.88Å; R456-L496 HydrophobicContact CG-CD2 4.01Å; R456-G498 VanDerWaalsContact CZ-C 3.47Å; R456-G498 PolarHBondContact NH1-O 2.54Å; R456-G498 PolarHBondContact NH2-O 2.88Å; R456-D499 IonicContact CZ-OD1 3.33Å; R456-D499 IonicContact NE-OD1 3.59Å; R456-D499 IonicContact NH1-OD1 3.68Å; R456-D499 PolarHBondContact NH1-OD1 3.46Å |
| 457 | E | 95.3 | Very high | 92.4 | Very high | 106 Ų | 106 | 56 Ų | 56 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 179.6 | -161.6 | 56.6 | -151.2 | 0 | 0 | 111.6 | P453 C454 S455 I459 K460 Q461 | P453-E457 PolarHBondContact O-N 2.81Å; P453-E457 VanDerWaalsContact O-N 3.1Å; C454-E457 PolarHBondContact O-N 2.89Å; S455-E457 PolarHBondContact O-N 2.89Å; E457-I459 PolarHBondContact O-N 3.41Å; E457-K460 PolarHBondContact O-N 3.31Å; E457-K460 WeakPolarHBondContact OE2-CD 3.27Å; E457-K460 IonicContact OE2-NZ 2.89Å; E457-Q461 WeakPolarHBondContact O-CB 3.33Å; E457-Q461 PolarHBondContact O-N 2.79Å |
| 458 | S | 95.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 52 Ų | 52 | 12% | 0.119 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 171.9 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | C454 S455 K460 Q461 Q462 P471 | C454-S458 PolarHBondContact O-N 2.94Å; C454-S458 VanDerWaalsContact O-N 3.13Å; S455-S458 PolarHBondContact O-N 3.44Å; S458-K460 PolarHBondContact O-N 3.38Å; S458-Q461 PolarHBondContact O-N 3.25Å; S458-Q462 WeakPolarHBondContact O-CB 3.33Å; S458-Q462 WeakPolarHBondContact O-CG 3.48Å; S458-Q462 PolarHBondContact O-N 3.39Å; S458-Q462 PolarHBondContact OG-NE2 3.47Å; S458-P471 WeakPolarHBondContact OG-CA 3.27Å |
| 459 | I | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 173.8 | -72.9 | 159.3 | 0 | 0 | 0 | 111.5 | S455 R456 E457 G463 A464 V468 F487 I492 I495 L496 | S455-I459 WeakPolarHBondContact O-CD1 3.34Å; S455-I459 VanDerWaalsContact O-CG1 3.26Å; S455-I459 WeakPolarHBondContact O-CG1 3.22Å; S455-I459 PolarHBondContact O-N 2.94Å; R456-I459 PolarHBondContact O-N 3.08Å; E457-I459 PolarHBondContact O-N 3.41Å; I459-G463 CarbonylContact O-C 3.53Å; I459-G463 PolarHBondContact O-N 3.29Å; I459-G463 VanDerWaalsContact O-N 3.15Å; I459-A464 HydrophobicContact CG2-CB 4.01Å; I459-A464 PolarHBondContact O-N 3.1Å; I459-V468 HydrophobicContact CB-CG1 4.33Å; I459-V468 HydrophobicContact CG1-CG1 3.8Å; I459-V468 HydrophobicContact CG2-CG2 4.47Å; I459-F487 HydrophobicContact CD1-CE1 4.36Å; I459-F487 HydrophobicContact CD1-CE2 4.32Å; I459-F487 HydrophobicContact CD1-CZ 4.21Å; I459-F487 HydrophobicContact CG1-CD2 4.24Å; I459-F487 HydrophobicContact CG1-CE2 4.1Å; I459-F487 HydrophobicContact CG1-CZ 4.47Å; I459-I492 HydrophobicContact CG2-CG2 3.93Å; I459-I495 HydrophobicContact CD1-CB 3.98Å; I459-I495 HydrophobicContact CD1-CD1 3.91Å; I459-I495 HydrophobicContact CD1-CG2 3.73Å; I459-L496 HydrophobicContact CG2-CD1 3.8Å; I459-L496 HydrophobicContact CG2-CD2 4.14Å; I459-L496 HydrophobicContact CG2-CG 4Å |
| 460 | K | 93 | Very high | 92.6 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.4 | -72 | 168.5 | -179.3 | 173.3 | 0 | 111.6 | R456 E457 S458 G463 L496 D499 | R456-K460 WeakPolarHBondContact O-CG 3.25Å; R456-K460 PolarHBondContact O-N 2.7Å; E457-K460 PolarHBondContact O-N 3.31Å; E457-K460 WeakPolarHBondContact OE2-CD 3.27Å; E457-K460 IonicContact OE2-NZ 2.89Å; S458-K460 PolarHBondContact O-N 3.38Å; K460-G463 PolarHBondContact O-N 2.71Å; K460-L496 HydrophobicContact CG-CD2 4.11Å; K460-D499 WeakPolarHBondContact CE-OD2 2.78Å; K460-D499 IonicContact NZ-OD2 3.39Å; K460-D499 PolarHBondContact NZ-OD2 2.85Å |
| 461 | Q | 93.3 | Very high | 92.6 | Very high | 165 Ų | 165 | 52.2 Ų | 52.2 | 77% | 0.771 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.5 | -33.8 | -175.2 | -173.4 | 170.7 | 88.5 | 0 | 0 | 113.5 | E457 S458 | E457-Q461 WeakPolarHBondContact O-CB 3.33Å; E457-Q461 PolarHBondContact O-N 2.79Å; S458-Q461 PolarHBondContact O-N 3.25Å |
| 462 | Q | 92.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -80.7 | -17.6 | 173.8 | -67.3 | -176.4 | 71.3 | 0 | 0 | 113.2 | S458 V468 Y469 | S458-Q462 WeakPolarHBondContact O-CB 3.33Å; S458-Q462 WeakPolarHBondContact O-CG 3.48Å; S458-Q462 PolarHBondContact O-N 3.39Å; S458-Q462 PolarHBondContact OG-NE2 3.47Å; Q462-V468 HydrophobicContact CB-CG1 4.1Å; Q462-V468 HydrophobicContact CB-CG2 4.28Å; Q462-V468 HydrophobicContact CG-CG1 4.44Å; Q462-Y469 PolarHBondContact NE2-O 3.25Å |
| 463 | G | 88.4 | Confident | 92.3 | Very high | 26 Ų | 26 | 54 Ų | 54 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | trans | 91.5 | 104.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I459 K460 T465 G466 | I459-G463 CarbonylContact O-C 3.53Å; I459-G463 PolarHBondContact O-N 3.29Å; I459-G463 VanDerWaalsContact O-N 3.15Å; K460-G463 PolarHBondContact O-N 2.71Å; G463-T465 PolarHBondContact O-N 3.06Å; G463-G466 PolarHBondContact O-N 3.39Å | ||
| 464 | A | 82.4 | Confident | 92.2 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I459 Q489 I492 L496 | I459-A464 HydrophobicContact CG2-CB 4.01Å; I459-A464 PolarHBondContact O-N 3.1Å; A464-Q489 PolarHBondContact O-NE2 2.89Å; A464-I492 HydrophobicContact CB-CG2 3.99Å; A464-L496 HydrophobicContact CB-CD1 3.74Å |
| 465 | T | 79.8 | Confident | 92.1 | Very high | 146 Ų | 146 | 59.9 Ų | 59.9 | 90% | 0.896 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.6 | 175.5 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | G463 | G463-T465 PolarHBondContact O-N 3.06Š|
| 466 | G | 86.1 | Confident | 92 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -110 | -165.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G463 V468 | G463-G466 PolarHBondContact O-N 3.39Å; G466-V468 PolarHBondContact O-N 2.8Å |
| 467 | E | 91.3 | Very high | 92 | Very high | 129 Ų | 129 | 61.8 Ų | 61.8 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | trans | -76.7 | 106.3 | 167.4 | -65.9 | -171.3 | 162.8 | 0 | 0 | 109.8 | Y469 A486 | E467-Y469 HydrophobicContact CB-CE1 4.05Å; E467-Y469 HydrophobicContact CB-CE2 4.18Å; E467-Y469 WeakPolarHBondContact O-CD2 3.46Å; E467-Y469 VanDerWaalsContact O-CE2 3.28Å; E467-Y469 WeakPolarHBondContact O-CE2 3.38Å; E467-Y469 VanDerWaalsContact OE2-CZ 3.3Å; E467-Y469 PolarHBondContact OE2-OH 3.44Å; E467-A486 HydrophobicContact CB-CB 4.45Å | ||
| 468 | V | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -89.1 | 116.3 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | I459 Q462 G466 A486 F487 I492 | I459-V468 HydrophobicContact CB-CG1 4.33Å; I459-V468 HydrophobicContact CG1-CG1 3.8Å; I459-V468 HydrophobicContact CG2-CG2 4.47Å; Q462-V468 HydrophobicContact CB-CG1 4.1Å; Q462-V468 HydrophobicContact CB-CG2 4.28Å; Q462-V468 HydrophobicContact CG-CG1 4.44Å; G466-V468 PolarHBondContact O-N 2.8Å; V468-A486 CarbonylContact O-C 3.41Å; V468-A486 WeakPolarHBondContact O-CA 3.39Å; V468-A486 VanDerWaalsContact O-CB 3.26Å; V468-A486 WeakPolarHBondContact O-CB 3.21Å; V468-F487 HydrophobicContact CB-CD2 4.07Å; V468-F487 HydrophobicContact CG1-CD2 3.68Å; V468-F487 HydrophobicContact CG1-CE2 4.08Å; V468-F487 PolarHBondContact O-N 3.1Å; V468-I492 HydrophobicContact CB-CD1 4.18Å; V468-I492 HydrophobicContact CG2-CD1 3.88Å | ||
| 469 | Y | 95.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 65.1 Ų | 65.1 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -88.4 | 179.9 | 179 | -51.1 | -76.4 | 0 | 0 | 0 | 112.4 | Q462 E467 P484 A486 | Q462-Y469 PolarHBondContact NE2-O 3.25Å; E467-Y469 HydrophobicContact CB-CE1 4.05Å; E467-Y469 HydrophobicContact CB-CE2 4.18Å; E467-Y469 WeakPolarHBondContact O-CD2 3.46Å; E467-Y469 VanDerWaalsContact O-CE2 3.28Å; E467-Y469 WeakPolarHBondContact O-CE2 3.38Å; E467-Y469 VanDerWaalsContact OE2-CZ 3.3Å; E467-Y469 PolarHBondContact OE2-OH 3.44Å; Y469-P484 HydrophobicContact CD1-CB 4.03Å; Y469-P484 HydrophobicContact CD1-CG 4.26Å; Y469-P484 HydrophobicContact CE1-CB 4.15Å; Y469-P484 HydrophobicContact CE1-CG 3.85Å; Y469-A486 HydrophobicContact CD1-CB 4.04Å; Y469-A486 HydrophobicContact CE1-CB 4.3Å |
| 470 | C | 95.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 42% | 0.417 | C | S | . | . | trans | -48.5 | 130.8 | -176.7 | -165.2 | 0 | 0 | 0 | 0 | 113.7 | S472 G473 E474 C476 W485 | C470-S472 PolarHBondContact O-N 2.95Å; C470-S472 PolarHBondContact SG-OG 3.08Å; C470-G473 PolarHBondContact O-N 3.12Å; C470-E474 VanDerWaalsContact CB-O 3.31Å; C470-E474 WeakPolarHBondContact CB-O 3.39Å; C470-C476 HydrophobicContact CB-CB 4.32Å; C470-W485 HydrophobicContact CB-CE3 3.91Å; C470-W485 HydrophobicContact CB-CZ3 3.89Å | ||
| 471 | P | 95.6 | Very high | 91 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.058 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -10.5 | 178.8 | -28.1 | 35.5 | 0 | 0 | 0 | 117 | L429 F450 S458 G473 F487 | L429-P471 HydrophobicContact CD1-CB 3.92Å; F450-P471 HydrophobicContact CD1-CB 3.88Å; F450-P471 HydrophobicContact CD2-CB 3.95Å; F450-P471 HydrophobicContact CD2-CG 3.79Å; F450-P471 HydrophobicContact CE1-CB 3.96Å; F450-P471 HydrophobicContact CE2-CB 4.06Å; F450-P471 HydrophobicContact CE2-CG 4.06Å; F450-P471 HydrophobicContact CG-CB 3.85Å; F450-P471 HydrophobicContact CG-CG 4.05Å; F450-P471 HydrophobicContact CZ-CB 4.05Å; S458-P471 WeakPolarHBondContact OG-CA 3.27Å; P471-G473 PolarHBondContact O-N 3.36Å; P471-F487 HydrophobicContact CG-CE2 3.84Å; P471-F487 HydrophobicContact CG-CZ 3.87Å |
| 472 | S | 93.8 | Very high | 90.9 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 27% | 0.266 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.6 | 169.7 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | H448 C470 E474 | H448-S472 PolarHBondContact CE1-OG 3.14Å; H448-S472 PolarHBondContact ND1-OG 3.03Å; C470-S472 PolarHBondContact O-N 2.95Å; C470-S472 PolarHBondContact SG-OG 3.08Å; S472-E474 PolarHBondContact O-N 3.5Å; S472-E474 PolarHBondContact OG-N 3.26Å |
| 473 | G | 90.9 | Very high | 91 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 82.6 | -8.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | C470 P471 | C470-G473 PolarHBondContact O-N 3.12Å; P471-G473 PolarHBondContact O-N 3.36Å |
| 474 | E | 92.3 | Very high | 91.2 | Very high | 113 Ų | 113 | 69 Ų | 69 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | trans | -83.2 | 136 | 176.1 | -62.4 | -169.5 | 153.9 | 0 | 0 | 112 | H448 C470 S472 C476 | H448-E474 IonicContact CE1-OE2 2.81Å; H448-E474 PolarHBondContact CE1-OE2 3.43Å; C470-E474 VanDerWaalsContact CB-O 3.31Å; C470-E474 WeakPolarHBondContact CB-O 3.39Å; S472-E474 PolarHBondContact O-N 3.5Å; S472-E474 PolarHBondContact OG-N 3.26Å; E474-C476 PolarHBondContact O-N 2.95Å | ||
| 475 | K | 93.3 | Very high | 91.8 | Very high | 126 Ų | 126 | 68.5 Ų | 68.5 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | trans | -76.7 | 65.9 | 170.5 | -75.4 | -176.7 | 176.1 | -70.9 | 0 | 111.4 | P477 P484 | K475-P477 WeakPolarHBondContact O-CD 3.28Å; K475-P484 HydrophobicContact CB-CB 4.18Å | ||
| 476 | C | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.027 | 39% | 0.388 | C | S | . | . | trans | -54.4 | 115.9 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | C470 E474 W485 | C470-C476 HydrophobicContact CB-CB 4.32Å; E474-C476 PolarHBondContact O-N 2.95Å; C476-W485 PolarHBondContact O-N 2.9Å | ||
| 477 | P | 94.9 | Very high | 92.9 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 140 | -177.6 | 30.1 | -34.4 | 0 | 0 | 0 | 112 | S444 K475 V483 | S444-P477 WeakPolarHBondContact CB-O 3.37Å; S444-P477 VanDerWaalsContact OG-C 3.31Å; S444-P477 PolarHBondContact OG-O 3.11Å; K475-P477 WeakPolarHBondContact O-CD 3.28Å; P477-V483 CarbonylContact C-O 3.53Å; P477-V483 WeakPolarHBondContact CA-O 3.31Å |
| 478 | L | 92 | Very high | 93.1 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 134 | 174.9 | -78.2 | 170.8 | 0 | 0 | 0 | 110.9 | P443 G480 S481 V483 W485 | P443-L478 HydrophobicContact CG-CD2 3.87Å; L478-G480 PolarHBondContact O-N 2.95Å; L478-S481 WeakPolarHBondContact CB-OG 3.45Å; L478-S481 PolarHBondContact O-N 2.93Å; L478-S481 PolarHBondContact O-OG 2.88Å; L478-V483 PolarHBondContact N-O 3.33Å; L478-W485 HydrophobicContact CD2-CB 3.85Å; L478-W485 HydrophobicContact CD2-CG 4.15Å; L478-W485 HydrophobicContact CG-CB 3.96Å |
| 479 | V | 87.3 | Confident | 92.9 | Very high | 125 Ų | 125 | 66.3 Ų | 66.3 | 76% | 0.758 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 119 | -172.4 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 480 | G | 86.5 | Confident | 92.8 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 94% | 0.938 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 9.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L478 | L478-G480 PolarHBondContact O-N 2.95Š|
| 481 | S | 91.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 34% | 0.343 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -142.5 | 169.6 | 179.1 | 79.7 | 0 | 0 | 0 | 0 | 112.5 | L478 V483 | L478-S481 WeakPolarHBondContact CB-OG 3.45Å; L478-S481 PolarHBondContact O-N 2.93Å; L478-S481 PolarHBondContact O-OG 2.88Å; S481-V483 PolarHBondContact OG-N 3.5Å |
| 482 | N | 90.6 | Very high | 92.6 | Very high | 164 Ų | 164 | 69.3 Ų | 69.3 | 88% | 0.877 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -96.9 | 9.1 | 168 | -63.9 | -48.3 | 0 | 0 | 0 | 112.8 | ||
| 483 | V | 93.6 | Very high | 92.5 | Very high | 89 Ų | 89 | 70.2 Ų | 70.2 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 124.7 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | P477 L478 S481 | P477-V483 CarbonylContact C-O 3.53Å; P477-V483 WeakPolarHBondContact CA-O 3.31Å; L478-V483 PolarHBondContact N-O 3.33Å; S481-V483 PolarHBondContact OG-N 3.5Å |
| 484 | P | 93.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 71.3 Ų | 71.3 | 27% | 0.273 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -65.7 | 138.8 | 177.2 | 28.8 | -35 | 0 | 0 | 0 | 110.7 | Y469 K475 | Y469-P484 HydrophobicContact CD1-CB 4.03Å; Y469-P484 HydrophobicContact CD1-CG 4.26Å; Y469-P484 HydrophobicContact CE1-CB 4.15Å; Y469-P484 HydrophobicContact CE1-CG 3.85Å; K475-P484 HydrophobicContact CB-CB 4.18Å |
| 485 | W | 94.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 132.9 | 170.2 | 172.6 | 58.6 | 0 | 0 | 0 | 110.5 | V440 C442 P443 C470 C476 L478 F487 | V440-W485 HydrophobicContact CG1-CH2 3.81Å; V440-W485 HydrophobicContact CG1-CZ2 4.28Å; C442-W485 HydrophobicContact CB-CE3 4.22Å; C442-W485 HydrophobicContact CB-CZ3 3.89Å; C442-W485 VanDerWaalsContact SG-CE3 3.51Å; P443-W485 VanDerWaalsContact CD-CD2 3.42Å; P443-W485 HydrophobicContact CG-CB 4.26Å; P443-W485 HydrophobicContact CG-CD2 3.87Å; P443-W485 HydrophobicContact CG-CG 3.65Å; C470-W485 HydrophobicContact CB-CE3 3.91Å; C470-W485 HydrophobicContact CB-CZ3 3.89Å; C476-W485 PolarHBondContact O-N 2.9Å; L478-W485 HydrophobicContact CD2-CB 3.85Å; L478-W485 HydrophobicContact CD2-CG 4.15Å; L478-W485 HydrophobicContact CG-CB 3.96Å; W485-F487 HydrophobicContact CH2-CZ 4.44Å |
| 486 | A | 95.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -130.7 | 156.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E467 V468 Y469 | E467-A486 HydrophobicContact CB-CB 4.45Å; V468-A486 CarbonylContact O-C 3.41Å; V468-A486 WeakPolarHBondContact O-CA 3.39Å; V468-A486 VanDerWaalsContact O-CB 3.26Å; V468-A486 WeakPolarHBondContact O-CB 3.21Å; Y469-A486 HydrophobicContact CD1-CB 4.04Å; Y469-A486 HydrophobicContact CE1-CB 4.3Å |
| 487 | F | 94.5 | Very high | 92 | Very high | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 41% | 0.411 | C | S | . | . | trans | -63.6 | 143.3 | 172.8 | -74 | -88.7 | 0 | 0 | 0 | 111.5 | V440 I459 V468 P471 W485 E491 I492 I495 | V440-F487 HydrophobicContact CB-CE1 4.31Å; V440-F487 HydrophobicContact CG1-CE1 3.58Å; V440-F487 HydrophobicContact CG1-CZ 3.86Å; V440-F487 HydrophobicContact CG2-CE1 3.85Å; V440-F487 HydrophobicContact CG2-CZ 4.28Å; I459-F487 HydrophobicContact CD1-CE1 4.36Å; I459-F487 HydrophobicContact CD1-CE2 4.32Å; I459-F487 HydrophobicContact CD1-CZ 4.21Å; I459-F487 HydrophobicContact CG1-CD2 4.24Å; I459-F487 HydrophobicContact CG1-CE2 4.1Å; I459-F487 HydrophobicContact CG1-CZ 4.47Å; V468-F487 HydrophobicContact CB-CD2 4.07Å; V468-F487 HydrophobicContact CG1-CD2 3.68Å; V468-F487 HydrophobicContact CG1-CE2 4.08Å; V468-F487 PolarHBondContact O-N 3.1Å; P471-F487 HydrophobicContact CG-CE2 3.84Å; P471-F487 HydrophobicContact CG-CZ 3.87Å; W485-F487 HydrophobicContact CH2-CZ 4.44Å; F487-E491 HydrophobicContact CD1-CB 4.09Å; F487-I492 HydrophobicContact CB-CD1 4Å; F487-I492 HydrophobicContact CB-CG1 3.63Å; F487-I492 HydrophobicContact CG-CG1 4.39Å; F487-I495 HydrophobicContact CD1-CD1 4.06Å; F487-I495 HydrophobicContact CE1-CD1 3.56Å; F487-I495 HydrophobicContact CZ-CD1 4.39Å | ||
| 488 | M | 94.3 | Very high | 90.8 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 61% | 0.606 | 42% | 0.418 | S | S | * | . | trans | -73 | 145.6 | 166.4 | -61.8 | -178.6 | -74.1 | 0 | 0 | 109.9 | G490 E491 I492 | M488-G490 PolarHBondContact O-N 3.15Å; M488-G490 VanDerWaalsContact O-N 3.11Å; M488-E491 HydrophobicContact CB-CG 4.15Å; M488-E491 WeakPolarHBondContact CB-OE2 3.44Å; M488-E491 VanDerWaalsContact CE-CD 3.42Å; M488-E491 HydrophobicContact CE-CG 3.99Å; M488-E491 WeakPolarHBondContact CE-OE1 3.45Å; M488-E491 PolarHBondContact N-OE2 2.81Å; M488-E491 WeakPolarHBondContact O-CA 3.21Å; M488-E491 WeakPolarHBondContact O-CB 3.3Å; M488-E491 PolarHBondContact O-N 3.42Å; M488-I492 PolarHBondContact O-N 3.33Å | ||
| 489 | Q | 92.2 | Very high | 89.4 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -26.5 | -179.3 | -80.6 | -68.7 | -11.1 | 0 | 0 | 113.8 | A464 A493 | A464-Q489 PolarHBondContact O-NE2 2.89Å; Q489-A493 WeakPolarHBondContact O-CB 3.45Å; Q489-A493 PolarHBondContact O-N 3.44Å |
| 490 | G | 92.4 | Very high | 88 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M488 A493 T494 | M488-G490 PolarHBondContact O-N 3.15Å; M488-G490 VanDerWaalsContact O-N 3.11Å; G490-A493 PolarHBondContact O-N 3.24Å; G490-T494 PolarHBondContact O-N 2.9Å; G490-T494 PolarHBondContact O-OG1 3.44Å |
| 491 | E | 93.3 | Very high | 86.6 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 176.5 | -59.7 | 171.3 | 134 | 0 | 0 | 110.8 | F487 M488 A493 T494 I495 | F487-E491 HydrophobicContact CD1-CB 4.09Å; M488-E491 HydrophobicContact CB-CG 4.15Å; M488-E491 WeakPolarHBondContact CB-OE2 3.44Å; M488-E491 VanDerWaalsContact CE-CD 3.42Å; M488-E491 HydrophobicContact CE-CG 3.99Å; M488-E491 WeakPolarHBondContact CE-OE1 3.45Å; M488-E491 PolarHBondContact N-OE2 2.81Å; M488-E491 WeakPolarHBondContact O-CA 3.21Å; M488-E491 WeakPolarHBondContact O-CB 3.3Å; M488-E491 PolarHBondContact O-N 3.42Å; E491-A493 VanDerWaalsContact C-N 3.33Å; E491-A493 PolarHBondContact O-N 3.35Å; E491-T494 PolarHBondContact O-N 2.99Å; E491-I495 WeakPolarHBondContact O-CB 3.36Å; E491-I495 WeakPolarHBondContact O-CD1 3.5Å; E491-I495 VanDerWaalsContact O-CG1 3.24Å; E491-I495 WeakPolarHBondContact O-CG1 3.4Å; E491-I495 PolarHBondContact O-N 2.88Å |
| 492 | I | 93.7 | Very high | 84.5 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -53.5 | -51.4 | 172.6 | -69.2 | 175.1 | 0 | 0 | 0 | 109.9 | I459 A464 V468 F487 M488 I495 L496 | I459-I492 HydrophobicContact CG2-CG2 3.93Å; A464-I492 HydrophobicContact CB-CG2 3.99Å; V468-I492 HydrophobicContact CB-CD1 4.18Å; V468-I492 HydrophobicContact CG2-CD1 3.88Å; F487-I492 HydrophobicContact CB-CD1 4Å; F487-I492 HydrophobicContact CB-CG1 3.63Å; F487-I492 HydrophobicContact CG-CG1 4.39Å; M488-I492 PolarHBondContact O-N 3.33Å; I492-I495 PolarHBondContact O-N 2.85Å; I492-L496 HydrophobicContact CG2-CD1 3.69Å; I492-L496 WeakPolarHBondContact O-CB 3.27Å; I492-L496 WeakPolarHBondContact O-CD1 3.33Å; I492-L496 VanDerWaalsContact O-CG 3.31Å; I492-L496 WeakPolarHBondContact O-CG 3.33Å; I492-L496 PolarHBondContact O-N 3.11Å |
| 493 | A | 92.5 | Very high | 82.5 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q489 G490 E491 L496 A497 | Q489-A493 WeakPolarHBondContact O-CB 3.45Å; Q489-A493 PolarHBondContact O-N 3.44Å; G490-A493 PolarHBondContact O-N 3.24Å; E491-A493 VanDerWaalsContact C-N 3.33Å; E491-A493 PolarHBondContact O-N 3.35Å; A493-L496 PolarHBondContact O-N 2.75Å; A493-A497 WeakPolarHBondContact O-CB 3.17Å; A493-A497 PolarHBondContact O-N 2.97Å |
| 494 | T | 91.6 | Very high | 80.6 | Confident | 93 Ų | 93 | 79.7 Ų | 79.7 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 178.9 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | G490 E491 L496 A497 | G490-T494 PolarHBondContact O-N 2.9Å; G490-T494 PolarHBondContact O-OG1 3.44Å; E491-T494 PolarHBondContact O-N 2.99Å; T494-L496 VanDerWaalsContact C-N 3.33Å; T494-L496 PolarHBondContact O-N 3.46Å; T494-A497 PolarHBondContact O-N 3.35Å |
| 495 | I | 91.9 | Very high | 78.3 | Confident | 6 Ų | 6 | 85.8 Ų | 85.8 | 3% | 0.031 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.6 | -35.3 | -178.5 | -65.9 | 163 | 0 | 0 | 0 | 110.9 | V440 F452 R456 I459 F487 E491 I492 | V440-I495 HydrophobicContact CG2-CD1 3.69Å; F452-I495 HydrophobicContact CE2-CG1 4.46Å; F452-I495 HydrophobicContact CZ-CG1 4.48Å; R456-I495 HydrophobicContact CB-CG2 3.85Å; R456-I495 VanDerWaalsContact CZ-O 3.29Å; R456-I495 PolarHBondContact NE-O 3.16Å; R456-I495 PolarHBondContact NH2-O 2.88Å; I459-I495 HydrophobicContact CD1-CB 3.98Å; I459-I495 HydrophobicContact CD1-CD1 3.91Å; I459-I495 HydrophobicContact CD1-CG2 3.73Å; F487-I495 HydrophobicContact CD1-CD1 4.06Å; F487-I495 HydrophobicContact CE1-CD1 3.56Å; F487-I495 HydrophobicContact CZ-CD1 4.39Å; E491-I495 WeakPolarHBondContact O-CB 3.36Å; E491-I495 WeakPolarHBondContact O-CD1 3.5Å; E491-I495 VanDerWaalsContact O-CG1 3.24Å; E491-I495 WeakPolarHBondContact O-CG1 3.4Å; E491-I495 PolarHBondContact O-N 2.88Å; I492-I495 PolarHBondContact O-N 2.85Å |
| 496 | L | 90.9 | Very high | 76.6 | Confident | 46 Ų | 46 | 95.8 Ų | 95.8 | 24% | 0.241 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -77.9 | -34.1 | 175.1 | -71.1 | 167.6 | 0 | 0 | 0 | 113.6 | R456 I459 K460 A464 I492 A493 T494 G498 D499 | R456-L496 HydrophobicContact CG-CD2 4.01Å; I459-L496 HydrophobicContact CG2-CD1 3.8Å; I459-L496 HydrophobicContact CG2-CD2 4.14Å; I459-L496 HydrophobicContact CG2-CG 4Å; K460-L496 HydrophobicContact CG-CD2 4.11Å; A464-L496 HydrophobicContact CB-CD1 3.74Å; I492-L496 HydrophobicContact CG2-CD1 3.69Å; I492-L496 WeakPolarHBondContact O-CB 3.27Å; I492-L496 WeakPolarHBondContact O-CD1 3.33Å; I492-L496 VanDerWaalsContact O-CG 3.31Å; I492-L496 WeakPolarHBondContact O-CG 3.33Å; I492-L496 PolarHBondContact O-N 3.11Å; A493-L496 PolarHBondContact O-N 2.75Å; T494-L496 VanDerWaalsContact C-N 3.33Å; T494-L496 PolarHBondContact O-N 3.46Å; L496-G498 PolarHBondContact O-N 3.04Å; L496-D499 WeakPolarHBondContact O-CB 3.38Å; L496-D499 PolarHBondContact O-N 3.32Å |
| 497 | A | 85.4 | Confident | 74.2 | Confident | 60 Ų | 60 | 101 Ų | 101 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -33 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A493 T494 D499 V500 | A493-A497 WeakPolarHBondContact O-CB 3.17Å; A493-A497 PolarHBondContact O-N 2.97Å; T494-A497 PolarHBondContact O-N 3.35Å; A497-D499 PolarHBondContact O-N 3.2Å; A497-V500 WeakPolarHBondContact O-CG2 3.49Å; A497-V500 PolarHBondContact O-N 2.92Å; A497-V500 VanDerWaalsContact O-N 3.15Å |
| 498 | G | 69.4 | Low | 72.8 | Confident | 57 Ų | 57 | 109.1 Ų | 109.1 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 9.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R456 L496 | R456-G498 VanDerWaalsContact CZ-C 3.47Å; R456-G498 PolarHBondContact NH1-O 2.54Å; R456-G498 PolarHBondContact NH2-O 2.88Å; L496-G498 PolarHBondContact O-N 3.04Å |
| 499 | D | 62.8 | Low | 71.7 | Confident | 74 Ų | 74 | 108.4 Ų | 108.4 | 40% | 0.396 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.8 | 0.5 | 172.5 | -141.4 | 38.8 | 0 | 0 | 0 | 112.6 | R456 K460 L496 A497 K501 | R456-D499 IonicContact CZ-OD1 3.33Å; R456-D499 IonicContact NE-OD1 3.59Å; R456-D499 IonicContact NH1-OD1 3.68Å; R456-D499 PolarHBondContact NH1-OD1 3.46Å; K460-D499 WeakPolarHBondContact CE-OD2 2.78Å; K460-D499 IonicContact NZ-OD2 3.39Å; K460-D499 PolarHBondContact NZ-OD2 2.85Å; L496-D499 WeakPolarHBondContact O-CB 3.38Å; L496-D499 PolarHBondContact O-N 3.32Å; A497-D499 PolarHBondContact O-N 3.2Å; D499-K501 PolarHBondContact O-N 3.23Å |
| 500 | V | 58.3 | Low | 70.6 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 68% | 0.679 | 59% | 0.592 | S | S | * | * | trans | -72.4 | 78.3 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | A497 V502 | A497-V500 WeakPolarHBondContact O-CG2 3.49Å; A497-V500 PolarHBondContact O-N 2.92Å; A497-V500 VanDerWaalsContact O-N 3.15Å; V500-V502 PolarHBondContact O-N 3.3Å | ||
| 501 | K | 56.8 | Low | 69.4 | Low | 194 Ų | 194 | 111.9 Ų | 111.9 | 84% | 0.843 | 60% | 0.596 | S | S | * | * | trans | -58.3 | 99.6 | 172.9 | -178.1 | 174.4 | -176.1 | 171.9 | 0 | 108.4 | D499 K503 | D499-K501 PolarHBondContact O-N 3.23Å; K501-K503 PolarHBondContact O-N 2.94Å | ||
| 502 | V | 47.6 | Very low | 68 | Low | 130 Ų | 130 | 114.5 Ų | 114.5 | 79% | 0.788 | 61% | 0.612 | S | S | * | * | trans | -50.9 | 109.9 | 179.2 | -174 | 0 | 0 | 0 | 0 | 107.9 | V500 K504 | V500-V502 PolarHBondContact O-N 3.3Å; V502-K504 VanDerWaalsContact C-N 3.29Å; V502-K504 PolarHBondContact O-N 3.13Å | ||
| 503 | K | 48.2 | Very low | 66.4 | Low | 199 Ų | 199 | 121.4 Ų | 121.4 | 87% | 0.865 | 65% | 0.649 | S | S | * | * | trans | -71.1 | 91.1 | -177.7 | -177.5 | -172.5 | 175.7 | -175.5 | 0 | 107 | K501 E505 | K501-K503 PolarHBondContact O-N 2.94Å; K503-E505 PolarHBondContact O-N 3.16Å | ||
| 504 | K | 53.4 | Low | 64.7 | Low | 195 Ų | 195 | 125.8 Ų | 125.8 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | trans | -38.6 | 116 | -178 | 178.3 | 175.3 | 177.1 | 176.4 | 0 | 109.3 | V502 R506 | V502-K504 VanDerWaalsContact C-N 3.29Å; V502-K504 PolarHBondContact O-N 3.13Å; K504-R506 PolarHBondContact O-N 3.39Å | ||
| 505 | E | 45.2 | Very low | 62.7 | Low | 170 Ų | 170 | 128.1 Ų | 128.1 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | trans | -59.7 | 135.1 | -177.7 | -165.8 | 163.6 | 168.4 | 0 | 0 | 109.1 | K503 D507 | K503-E505 PolarHBondContact O-N 3.16Å; E505-D507 PolarHBondContact O-N 2.71Å | ||
| 506 | R | 58.8 | Low | 60.5 | Low | 232 Ų | 232 | 137.5 Ų | 137.5 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | trans | -89.3 | 93 | 173.5 | 178.4 | 178.6 | 169.7 | 176.8 | -3.4 | 106.3 | K504 | K504-R506 PolarHBondContact O-N 3.39Š| ||
| 507 | D | 44.1 | Very low | 58 | Low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -50.6 | 143.5 | 169.2 | -142.4 | -133.2 | 0 | 0 | 0 | 109.8 | E505 | E505-D507 PolarHBondContact O-N 2.71Š| ||
| 508 | P | 65.6 | Low | 55.5 | Low | 182 Ų | 182 | 152.9 Ų | 152.9 | 100% | 1.182 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 0 | -162 | 28.1 | -35.2 | 0 | 0 | 0 | 115.6 |
Retrieved 508 of 508 residues in 103.1 ms
(Link to these results)