| 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 | 38.3 | Very low | 57.6 | Low | 246 Ų | 246 | 133.2 Ų | 133.2 | 100% | 1.212 | 71% | 0.705 | S | S | * | * | 0 | 90.4 | 0 | -65.1 | 179.5 | 179.6 | 0 | 0 | 106.9 | |||||
| 2 | S | 42.1 | Very low | 60.3 | Low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -89 | 131.6 | -178.7 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | A4 | S2-A4 VanDerWaalsContact C-N 3.27Å; S2-A4 PolarHBondContact O-N 2.84Å | ||
| 3 | N | 43.1 | Very low | 63 | Low | 154 Ų | 154 | 128.8 Ų | 128.8 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | trans | -65.1 | 81.4 | 176.1 | -80.1 | -20.4 | 0 | 0 | 0 | 110.7 | H5 | N3-H5 VanDerWaalsContact C-N 3.26Š| ||
| 4 | A | 48.8 | Very low | 65.5 | Low | 67 Ų | 67 | 119.6 Ų | 119.6 | 55% | 0.554 | 63% | 0.626 | S | S | * | * | trans | -87.6 | 8.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 | S2-A4 VanDerWaalsContact C-N 3.27Å; S2-A4 PolarHBondContact O-N 2.84Å | ||
| 5 | H | 43.5 | Very low | 67.7 | Low | 179 Ų | 179 | 115 Ų | 115 | 83% | 0.829 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -107.9 | 112.2 | 180 | -74.9 | 25.5 | 0 | 0 | 0 | 109.6 | N3 | N3-H5 VanDerWaalsContact C-N 3.26Š|
| 6 | N | 43 | Very low | 69.6 | Low | 162 Ų | 162 | 108.3 Ų | 108.3 | 87% | 0.866 | 57% | 0.571 | S | S | * | * | trans | 92 | 40.3 | 171.1 | -134.4 | 20.4 | 0 | 0 | 0 | 118.5 | S8 | N6-S8 PolarHBondContact O-N 2.72Š| ||
| 7 | R | 57.1 | Low | 71.4 | Confident | 208 Ų | 208 | 101.9 Ų | 101.9 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | trans | -75.4 | 106.6 | 155.3 | -71.9 | -171.7 | -173.6 | -173.1 | 2.4 | 108.2 | I9 | R7-I9 PolarHBondContact O-N 3.06Š| ||
| 8 | S | 71.7 | Confident | 72.9 | Confident | 105 Ų | 105 | 96.3 Ų | 96.3 | 73% | 0.734 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -53 | 135.2 | 164.7 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | N6 S10 | N6-S8 PolarHBondContact O-N 2.72Å; S8-S10 PolarHBondContact O-N 2.64Å |
| 9 | I | 77.4 | Confident | 74.2 | Confident | 39 Ų | 39 | 91.2 Ų | 91.2 | 20% | 0.2 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 125.1 | 173.3 | -60.6 | 172.3 | 0 | 0 | 0 | 107.4 | R7 L246 L249 I290 | R7-I9 PolarHBondContact O-N 3.06Å; I9-L246 HydrophobicContact CD1-CD1 3.47Å; I9-L246 VanDerWaalsContact CD1-CD1 3.47Å; I9-L246 HydrophobicContact CD1-CG 4.47Å; I9-L249 HydrophobicContact CG2-CB 4.14Å; I9-I290 HydrophobicContact CG2-CD1 3.72Å |
| 10 | S | 82.5 | Confident | 75.2 | Confident | 50 Ų | 50 | 86.7 Ų | 86.7 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.4 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 110 | S8 D12 R254 | S8-S10 PolarHBondContact O-N 2.64Å; S10-D12 WeakPolarHBondContact CB-OD2 3.12Å; S10-D12 PolarHBondContact O-N 3.37Å; S10-D12 PolarHBondContact OG-N 3.32Å; S10-D12 PolarHBondContact OG-OD1 3.39Å; S10-D12 PolarHBondContact OG-OD2 3.22Å; S10-R254 PolarHBondContact O-NH2 3.28Å |
| 11 | K | 86.6 | Confident | 76.1 | Confident | 143 Ų | 143 | 82.5 Ų | 82.5 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | trans | -81.7 | 10.7 | 178.3 | -61.9 | -171.3 | 176.9 | -172.8 | 0 | 113.6 | ||||
| 12 | D | 89.7 | Confident | 78.8 | Confident | 101 Ų | 101 | 71.2 Ų | 71.2 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -55 | 140.8 | 174.7 | -60 | -39.5 | 0 | 0 | 0 | 111.1 | S10 V14 R254 | S10-D12 WeakPolarHBondContact CB-OD2 3.12Å; S10-D12 PolarHBondContact O-N 3.37Å; S10-D12 PolarHBondContact OG-N 3.32Å; S10-D12 PolarHBondContact OG-OD1 3.39Å; S10-D12 PolarHBondContact OG-OD2 3.22Å; D12-V14 PolarHBondContact O-N 3.43Å; D12-R254 WeakPolarHBondContact O-CD 3.22Å; D12-R254 PolarHBondContact O-NE 2.92Å |
| 13 | K | 95.5 | Very high | 81.1 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 134 | -178.2 | -175.7 | 173.3 | -173.3 | 141 | 0 | 111.9 | E291 | K13-E291 CarbonylContact C-O 3.48Å; K13-E291 VanDerWaalsContact CA-O 3.29Å; K13-E291 WeakPolarHBondContact CA-O 3.5Å; K13-E291 HydrophobicContact CG-CB 4.44Å; K13-E291 WeakPolarHBondContact CG-O 3.39Å; K13-E291 IonicContact NZ-OE1 3.08Å; K13-E291 PolarHBondContact NZ-OE1 3.29Å |
| 14 | V | 98.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 131.2 | 173.4 | 168.5 | 0 | 0 | 0 | 0 | 109.8 | D12 V16 L249 R254 I256 L285 I290 E291 | D12-V14 PolarHBondContact O-N 3.43Å; V14-V16 HydrophobicContact CG1-CG2 4.32Å; V14-L249 HydrophobicContact CG2-CD2 3.6Å; V14-R254 CarbonylContact C-O 3.47Å; V14-R254 WeakPolarHBondContact CA-O 3.35Å; V14-I256 HydrophobicContact CG1-CG1 3.91Å; V14-L285 HydrophobicContact CB-CD1 4.04Å; V14-L285 HydrophobicContact CB-CD2 4.31Å; V14-L285 HydrophobicContact CG1-CD1 3.79Å; V14-L285 HydrophobicContact CG1-CD2 4.39Å; V14-L285 HydrophobicContact CG2-CD2 4.01Å; V14-I290 HydrophobicContact CB-CG2 4.18Å; V14-I290 HydrophobicContact CG2-CG2 3.54Å; V14-E291 PolarHBondContact N-O 3.5Å |
| 15 | T | 98.2 | Very high | 85.4 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.1 | 169.3 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | V51 R254 T255 I256 | T15-V51 HydrophobicContact CG2-CG2 3.69Å; T15-R254 PolarHBondContact N-O 3.49Å; T15-T255 WeakPolarHBondContact O-CA 3.47Å; T15-I256 PolarHBondContact O-N 3.15Å |
| 16 | V | 98.7 | Very high | 87.3 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.7 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | V14 L49 I256 S258 T278 L281 I282 L285 | V14-V16 HydrophobicContact CG1-CG2 4.32Å; V16-L49 HydrophobicContact CB-CD2 3.95Å; V16-L49 HydrophobicContact CG1-CD2 3.87Å; V16-I256 WeakPolarHBondContact CA-O 3.17Å; V16-S258 VanDerWaalsContact CG1-OG 3.23Å; V16-S258 WeakPolarHBondContact CG1-OG 2.93Å; V16-T278 HydrophobicContact CG1-CG2 4.03Å; V16-L281 HydrophobicContact CG1-CD2 4.11Å; V16-L281 HydrophobicContact CG2-CD2 3.92Å; V16-I282 HydrophobicContact CG2-CD1 3.87Å; V16-L285 HydrophobicContact CG2-CD1 4.34Å |
| 17 | V | 98.7 | Very high | 89 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 105.1 | 176 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | V19 V51 R165 T255 I256 D257 S258 | V17-V19 HydrophobicContact CG1-CG1 4.15Å; V17-V19 PolarHBondContact O-N 3.08Å; V17-V51 HydrophobicContact CB-CG1 4.4Å; V17-V51 HydrophobicContact CG1-CG1 3.99Å; V17-V51 HydrophobicContact CG2-CB 4.17Å; V17-V51 HydrophobicContact CG2-CG1 4.05Å; V17-R165 VanDerWaalsContact CG2-NH1 3.25Å; V17-T255 HydrophobicContact CG2-CG2 3.52Å; V17-I256 PolarHBondContact N-O 3.43Å; V17-D257 VanDerWaalsContact CB-OD1 3.3Å; V17-D257 WeakPolarHBondContact CB-OD1 3.48Å; V17-D257 WeakPolarHBondContact O-CA 3.3Å; V17-S258 PolarHBondContact O-N 3.14Å; V17-S258 VanDerWaalsContact O-N 3.12Å |
| 18 | E | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 109.5 | -178.2 | 174.6 | 54.5 | -120.7 | 0 | 0 | 109.8 | G20 L44 L49 V51 I52 E53 S258 S259 V260 T278 | E18-G20 WeakPolarHBondContact OE1-CA 3.28Å; E18-G20 PolarHBondContact OE1-N 3.22Å; E18-L44 HydrophobicContact CG-CD1 3.74Å; E18-L44 HydrophobicContact CG-CD2 4.14Å; E18-L44 HydrophobicContact CG-CG 4.46Å; E18-L49 HydrophobicContact CB-CD1 3.88Å; E18-L49 HydrophobicContact CB-CD2 4.18Å; E18-L49 HydrophobicContact CG-CD1 3.95Å; E18-V51 PolarHBondContact N-O 2.85Å; E18-I52 HydrophobicContact CB-CG1 4.35Å; E18-E53 PolarHBondContact O-N 3.25Å; E18-S258 WeakPolarHBondContact CA-O 3.37Å; E18-S259 VanDerWaalsContact OE1-CA 3.32Å; E18-S259 WeakPolarHBondContact OE1-CA 3.45Å; E18-V260 VanDerWaalsContact CD-N 3.28Å; E18-V260 PolarHBondContact OE1-N 3.15Å; E18-V260 PolarHBondContact OE2-N 2.82Å; E18-T278 PolarHBondContact OE2-OG1 3.15Å |
| 19 | V | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -100 | 1 | -177.1 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | V17 L21 R22 D23 G24 E53 D257 S258 | V17-V19 HydrophobicContact CG1-CG1 4.15Å; V17-V19 PolarHBondContact O-N 3.08Å; V19-L21 VanDerWaalsContact C-N 3.28Å; V19-L21 PolarHBondContact O-N 2.95Å; V19-R22 CarbonylContact O-C 3.56Å; V19-R22 PolarHBondContact O-N 3.27Å; V19-R22 VanDerWaalsContact O-N 3.15Å; V19-D23 HydrophobicContact CB-CB 3.85Å; V19-D23 HydrophobicContact CG2-CB 3.92Å; V19-D23 WeakPolarHBondContact O-CA 3.33Å; V19-D23 WeakPolarHBondContact O-CB 3.49Å; V19-D23 PolarHBondContact O-N 2.93Å; V19-G24 PolarHBondContact O-N 2.89Å; V19-G24 VanDerWaalsContact O-N 3.16Å; V19-E53 HydrophobicContact CG1-CB 4.28Å; V19-D257 HydrophobicContact CG1-CB 4.34Å; V19-S258 WeakPolarHBondContact CG2-O 3.44Å; V19-S258 PolarHBondContact N-O 2.7Å | ||
| 20 | G | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -58.6 | -34.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E18 G24 L25 S259 | E18-G20 WeakPolarHBondContact OE1-CA 3.28Å; E18-G20 PolarHBondContact OE1-N 3.22Å; G20-G24 CarbonylContact O-C 3.5Å; G20-G24 VanDerWaalsContact O-CA 3.29Å; G20-G24 WeakPolarHBondContact O-CA 3.39Å; G20-G24 PolarHBondContact O-N 3.22Å; G20-L25 WeakPolarHBondContact O-CG 3.3Å; G20-L25 PolarHBondContact O-N 3.43Å; G20-S259 VanDerWaalsContact CA-OG 3.25Å; G20-S259 WeakPolarHBondContact CA-OG 3.27Å |
| 21 | L | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -66.3 | -38.6 | 177.7 | -96.4 | -62.4 | 0 | 0 | 0 | 113.4 | V19 L25 K37 L40 I41 L44 I52 E53 | V19-L21 VanDerWaalsContact C-N 3.28Å; V19-L21 PolarHBondContact O-N 2.95Å; L21-L25 HydrophobicContact CD1-CD1 4.13Å; L21-K37 HydrophobicContact CD1-CB 3.83Å; L21-K37 HydrophobicContact CD1-CG 4.19Å; L21-L40 HydrophobicContact CD1-CD2 4.08Å; L21-L40 HydrophobicContact CD2-CB 4.22Å; L21-L40 HydrophobicContact CD2-CD2 3.41Å; L21-L40 VanDerWaalsContact CD2-CD2 3.41Å; L21-L40 HydrophobicContact CD2-CG 3.54Å; L21-L40 HydrophobicContact CG-CD2 4.37Å; L21-I41 HydrophobicContact CD1-CD1 4.41Å; L21-I41 HydrophobicContact CD1-CG1 4.12Å; L21-I41 HydrophobicContact CD2-CG1 4.15Å; L21-I41 HydrophobicContact CG-CD1 4.34Å; L21-I41 HydrophobicContact CG-CG1 3.81Å; L21-L44 HydrophobicContact CD2-CD1 3.51Å; L21-I52 HydrophobicContact CD2-CG2 4.29Å; L21-I52 HydrophobicContact CG-CG2 4.45Å; L21-E53 VanDerWaalsContact CB-O 3.3Å; L21-E53 WeakPolarHBondContact CB-O 3.39Å |
| 22 | R | 93.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -97.1 | -72.7 | -179.7 | -170 | -76.3 | -62.9 | 166.1 | 4.3 | 110.1 | V19 Q26 E53 L68 | V19-R22 CarbonylContact O-C 3.56Å; V19-R22 PolarHBondContact O-N 3.27Å; V19-R22 VanDerWaalsContact O-N 3.15Å; R22-Q26 WeakPolarHBondContact O-CB 3.2Å; R22-Q26 PolarHBondContact O-N 3.09Å; R22-E53 HydrophobicContact CB-CB 4.4Å; R22-E53 HydrophobicContact CB-CG 3.99Å; R22-E53 HydrophobicContact CG-CG 4.42Å; R22-E53 IonicContact CZ-OE2 3.67Å; R22-E53 PolarHBondContact N-O 3.23Å; R22-E53 IonicContact NE-OE1 3.38Å; R22-E53 IonicContact NE-OE2 2.83Å; R22-E53 PolarHBondContact NE-OE2 3.29Å; R22-E53 IonicContact NH2-OE1 2.66Å; R22-E53 IonicContact NH2-OE2 3.36Å; R22-E53 PolarHBondContact NH2-OE2 2.93Å; R22-L68 HydrophobicContact CG-CD1 4.48Å |
| 23 | D | 92.2 | Very high | 91.2 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -66.2 | -42.2 | -173.7 | -162.9 | 61.1 | 0 | 0 | 0 | 112.7 | V19 H233 N275 | V19-D23 HydrophobicContact CB-CB 3.85Å; V19-D23 HydrophobicContact CG2-CB 3.92Å; V19-D23 WeakPolarHBondContact O-CA 3.33Å; V19-D23 WeakPolarHBondContact O-CB 3.49Å; V19-D23 PolarHBondContact O-N 2.93Å; D23-H233 IonicContact OD2-CE1 3.66Å; D23-N275 PolarHBondContact OD2-ND2 2.95Å; D23-N275 PolarHBondContact OD2-OD1 3.42Å |
| 24 | G | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -63.7 | -57.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V19 G20 Q26 L263 G264 | V19-G24 PolarHBondContact O-N 2.89Å; V19-G24 VanDerWaalsContact O-N 3.16Å; G20-G24 CarbonylContact O-C 3.5Å; G20-G24 VanDerWaalsContact O-CA 3.29Å; G20-G24 WeakPolarHBondContact O-CA 3.39Å; G20-G24 PolarHBondContact O-N 3.22Å; G24-Q26 VanDerWaalsContact C-N 3.27Å; G24-Q26 PolarHBondContact O-N 3.36Å; G24-L263 VanDerWaalsContact CA-C 3.43Å; G24-L263 WeakPolarHBondContact CA-O 3.08Å; G24-G264 WeakPolarHBondContact O-CA 3.48Å; G24-G264 PolarHBondContact O-N 3.37Å |
| 25 | L | 89.7 | Confident | 90.9 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -22.4 | -178.7 | -67.8 | -179.5 | 0 | 0 | 0 | 113.9 | G20 L21 N27 E28 L32 K37 L263 L310 | G20-L25 WeakPolarHBondContact O-CG 3.3Å; G20-L25 PolarHBondContact O-N 3.43Å; L21-L25 HydrophobicContact CD1-CD1 4.13Å; L25-N27 PolarHBondContact O-N 3.49Å; L25-E28 HydrophobicContact CD2-CG 4.04Å; L25-E28 PolarHBondContact O-N 3.1Å; L25-E28 VanDerWaalsContact O-N 3.15Å; L25-L32 HydrophobicContact CD1-CD1 4.02Å; L25-L32 HydrophobicContact CD2-CD1 3.62Å; L25-L32 HydrophobicContact CD2-CG 4.44Å; L25-K37 HydrophobicContact CD1-CG 4.16Å; L25-L263 HydrophobicContact CD2-CD1 3.91Å; L25-L263 HydrophobicContact CG-CD1 4.31Å; L25-L310 HydrophobicContact CD2-CD1 4.29Å |
| 26 | Q | 83.3 | Confident | 90.8 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -29.1 | -179.6 | -178 | 174.9 | -38.1 | 0 | 0 | 113.2 | R22 G24 Q65 L68 | R22-Q26 WeakPolarHBondContact O-CB 3.2Å; R22-Q26 PolarHBondContact O-N 3.09Å; G24-Q26 VanDerWaalsContact C-N 3.27Å; G24-Q26 PolarHBondContact O-N 3.36Å; Q26-Q65 WeakPolarHBondContact O-CB 3.4Å; Q26-Q65 WeakPolarHBondContact O-CG 3.23Å; Q26-Q65 PolarHBondContact O-NE2 2.88Å; Q26-L68 HydrophobicContact CB-CD1 4.01Å; Q26-L68 HydrophobicContact CG-CD1 4.12Å |
| 27 | N | 77.5 | Confident | 90.6 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 34% | 0.337 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 4 | -180 | -66.2 | -48.3 | 0 | 0 | 0 | 113.4 | L25 | L25-N27 PolarHBondContact O-N 3.49Š|
| 28 | E | 81.7 | Confident | 90.5 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | trans | -74.2 | 142.1 | 174.3 | -66.9 | -62.4 | 162.9 | 0 | 0 | 111.1 | L25 T30 G264 L310 R312 | L25-E28 HydrophobicContact CD2-CG 4.04Å; L25-E28 PolarHBondContact O-N 3.1Å; L25-E28 VanDerWaalsContact O-N 3.15Å; E28-T30 VanDerWaalsContact C-N 3.33Å; E28-G264 PolarHBondContact OE1-N 3.29Å; E28-L310 HydrophobicContact CG-CD1 4.32Å; E28-L310 HydrophobicContact CG-CD2 4.47Å; E28-R312 IonicContact OE1-CZ 3.45Å; E28-R312 VanDerWaalsContact OE1-CZ 3.27Å; E28-R312 IonicContact OE1-NE 2.93Å; E28-R312 PolarHBondContact OE1-NE 2.81Å; E28-R312 IonicContact OE1-NH2 3.22Å; E28-R312 PolarHBondContact OE1-NH2 2.69Å; E28-R312 IonicContact OE2-NE 2.85Å | ||
| 29 | K | 79.2 | Confident | 90.4 | Very high | 208 Ų | 208 | 40.9 Ų | 40.9 | 90% | 0.904 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -71.6 | -32.5 | 176.9 | -63.6 | -178.6 | -177.1 | 176.3 | 0 | 111.9 | ||
| 30 | T | 83.1 | Confident | 90.4 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -86.7 | 122.5 | -176.7 | -55.5 | 0 | 0 | 0 | 0 | 109.8 | E28 L32 L310 | E28-T30 VanDerWaalsContact C-N 3.33Å; T30-L32 HydrophobicContact CG2-CD2 4.22Å; T30-L32 PolarHBondContact O-N 3.04Å; T30-L310 HydrophobicContact CG2-CD2 4.43Å |
| 31 | T | 85.8 | Confident | 90.4 | Very high | 70 Ų | 70 | 41 Ų | 41 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -80.8 | 117.3 | 170.2 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | A66 G67 | T31-A66 HydrophobicContact CG2-CB 3.91Å; T31-A66 WeakPolarHBondContact CG2-O 3.37Å; T31-A66 WeakPolarHBondContact OG1-CB 3.46Å; T31-G67 PolarHBondContact OG1-N 3.42Å |
| 32 | L | 90.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 139.2 | 177.1 | -62 | -178.2 | 0 | 0 | 0 | 111.2 | L25 T30 I36 K37 I306 V309 L310 | L25-L32 HydrophobicContact CD1-CD1 4.02Å; L25-L32 HydrophobicContact CD2-CD1 3.62Å; L25-L32 HydrophobicContact CD2-CG 4.44Å; T30-L32 HydrophobicContact CG2-CD2 4.22Å; T30-L32 PolarHBondContact O-N 3.04Å; L32-I36 HydrophobicContact CB-CB 4.42Å; L32-I36 HydrophobicContact CB-CG2 4.26Å; L32-I36 HydrophobicContact CD1-CG2 3.94Å; L32-I36 HydrophobicContact CD2-CG2 4.32Å; L32-I36 HydrophobicContact CG-CG2 4.41Å; L32-K37 HydrophobicContact CB-CG 4.34Å; L32-K37 WeakPolarHBondContact O-CE 3.42Å; L32-K37 PolarHBondContact O-NZ 3.36Å; L32-I306 HydrophobicContact CD1-CD1 3.74Å; L32-V309 HydrophobicContact CD2-CG1 3.68Å; L32-L310 HydrophobicContact CD1-CD2 4.06Å; L32-L310 HydrophobicContact CD1-CG 4.47Å; L32-L310 HydrophobicContact CD2-CD2 3.77Å; L32-L310 HydrophobicContact CD2-CG 4.48Å; L32-L310 HydrophobicContact CG-CD2 4.02Å |
| 33 | P | 92.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 47% | 0.468 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 154 | 168.6 | -22.4 | 32.9 | 0 | 0 | 0 | 112.3 | E35 I36 K37 | P33-E35 WeakPolarHBondContact CB-OE2 3.41Å; P33-E35 PolarHBondContact O-N 3.47Å; P33-I36 HydrophobicContact CB-CG1 4.45Å; P33-I36 HydrophobicContact CG-CG1 4.35Å; P33-I36 PolarHBondContact O-N 2.98Å; P33-I36 VanDerWaalsContact O-N 3.14Å; P33-K37 PolarHBondContact O-N 3.05Å |
| 34 | T | 92.4 | Very high | 91 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -36.6 | 178.8 | -51.6 | 0 | 0 | 0 | 0 | 112 | I36 K37 L38 D70 K73 L74 | T34-I36 VanDerWaalsContact C-N 3.33Å; T34-I36 PolarHBondContact O-N 3.32Å; T34-K37 PolarHBondContact O-N 3.41Å; T34-K37 VanDerWaalsContact O-N 3.16Å; T34-L38 HydrophobicContact CG2-CD1 4.18Å; T34-L38 HydrophobicContact CG2-CG 4.41Å; T34-L38 WeakPolarHBondContact O-CG 3.39Å; T34-L38 PolarHBondContact O-N 3.48Å; T34-D70 VanDerWaalsContact CA-OD2 3.31Å; T34-D70 WeakPolarHBondContact CA-OD2 3.22Å; T34-D70 WeakPolarHBondContact CB-OD2 3.4Å; T34-D70 PolarHBondContact OG1-OD2 3.32Å; T34-K73 HydrophobicContact CG2-CD 4.21Å; T34-K73 HydrophobicContact CG2-CG 4.14Å; T34-L74 HydrophobicContact CG2-CB 4.08Å; T34-L74 HydrophobicContact CG2-CD1 4.16Å |
| 35 | E | 94.7 | Very high | 91.3 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.8 | -36.9 | -176.9 | -60.9 | 69.4 | -150.8 | 0 | 0 | 111.2 | P33 E39 K73 | P33-E35 WeakPolarHBondContact CB-OE2 3.41Å; P33-E35 PolarHBondContact O-N 3.47Å; E35-E39 WeakPolarHBondContact O-CB 3.41Å; E35-E39 PolarHBondContact O-N 2.86Å; E35-K73 IonicContact OE1-NZ 3.11Å; E35-K73 PolarHBondContact OE1-NZ 3.46Å |
| 36 | I | 95.5 | Very high | 91.6 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 173.4 | -62.7 | -60 | 0 | 0 | 0 | 110.9 | L32 P33 T34 E39 L40 W305 I306 V309 | L32-I36 HydrophobicContact CB-CB 4.42Å; L32-I36 HydrophobicContact CB-CG2 4.26Å; L32-I36 HydrophobicContact CD1-CG2 3.94Å; L32-I36 HydrophobicContact CD2-CG2 4.32Å; L32-I36 HydrophobicContact CG-CG2 4.41Å; P33-I36 HydrophobicContact CB-CG1 4.45Å; P33-I36 HydrophobicContact CG-CG1 4.35Å; P33-I36 PolarHBondContact O-N 2.98Å; P33-I36 VanDerWaalsContact O-N 3.14Å; T34-I36 VanDerWaalsContact C-N 3.33Å; T34-I36 PolarHBondContact O-N 3.32Å; I36-E39 PolarHBondContact O-N 3.48Å; I36-L40 WeakPolarHBondContact O-CB 3.31Å; I36-L40 PolarHBondContact O-N 3.48Å; I36-W305 HydrophobicContact CD1-CZ2 4.32Å; I36-W305 HydrophobicContact CG2-CH2 3.84Å; I36-W305 HydrophobicContact CG2-CZ2 4.23Å; I36-I306 HydrophobicContact CG2-CD1 4.38Å; I36-V309 HydrophobicContact CG2-CG1 3.92Å |
| 37 | K | 95 | Very high | 92.3 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.1 | -64.2 | 174.6 | -165.8 | 148.9 | 0 | 111.7 | L21 L25 L32 P33 T34 L40 I41 G67 D70 L74 | L21-K37 HydrophobicContact CD1-CB 3.83Å; L21-K37 HydrophobicContact CD1-CG 4.19Å; L25-K37 HydrophobicContact CD1-CG 4.16Å; L32-K37 HydrophobicContact CB-CG 4.34Å; L32-K37 WeakPolarHBondContact O-CE 3.42Å; L32-K37 PolarHBondContact O-NZ 3.36Å; P33-K37 PolarHBondContact O-N 3.05Å; T34-K37 PolarHBondContact O-N 3.41Å; T34-K37 VanDerWaalsContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 3.23Å; K37-I41 WeakPolarHBondContact O-CG1 3.41Å; K37-I41 PolarHBondContact O-N 2.67Å; K37-G67 WeakPolarHBondContact CE-O 3.46Å; K37-G67 PolarHBondContact NZ-O 3.41Å; K37-D70 IonicContact NZ-OD1 3.31Å; K37-D70 PolarHBondContact NZ-OD1 3.06Å; K37-D70 IonicContact NZ-OD2 2.69Å; K37-D70 PolarHBondContact NZ-OD2 3.19Å; K37-L74 HydrophobicContact CB-CD1 3.67Å; K37-L74 HydrophobicContact CB-CD2 4.1Å; K37-L74 HydrophobicContact CD-CD2 3.93Å |
| 38 | L | 95.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 173.6 | -71.7 | 169.8 | 0 | 0 | 0 | 111.7 | T34 L40 I41 R42 L74 L78 | T34-L38 HydrophobicContact CG2-CD1 4.18Å; T34-L38 HydrophobicContact CG2-CG 4.41Å; T34-L38 WeakPolarHBondContact O-CG 3.39Å; T34-L38 PolarHBondContact O-N 3.48Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 2.86Å; L38-I41 PolarHBondContact O-N 3.26Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 PolarHBondContact O-N 3.17Å; L38-L74 HydrophobicContact CD2-CD1 3.76Å; L38-L74 HydrophobicContact CG-CD1 3.83Å; L38-L78 HydrophobicContact CD2-CD1 4.37Å |
| 39 | E | 97.2 | Very high | 94 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.7 | 175.6 | 60.3 | -172.1 | 0 | 0 | 111.8 | E35 I36 R42 R43 W305 | E35-E39 WeakPolarHBondContact O-CB 3.41Å; E35-E39 PolarHBondContact O-N 2.86Å; I36-E39 PolarHBondContact O-N 3.48Å; E39-R42 WeakPolarHBondContact O-CB 3.17Å; E39-R42 PolarHBondContact O-N 3.25Å; E39-R42 IonicContact OE1-CZ 3.72Å; E39-R42 IonicContact OE1-NE 3.43Å; E39-R42 IonicContact OE1-NH2 2.74Å; E39-R42 PolarHBondContact OE1-NH2 3.32Å; E39-R42 IonicContact OE2-CZ 3.27Å; E39-R42 IonicContact OE2-NE 3.89Å; E39-R42 PolarHBondContact OE2-NE 3.13Å; E39-R42 IonicContact OE2-NH2 2.79Å; E39-R42 PolarHBondContact OE2-NH2 2.93Å; E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 3.1Å; E39-R43 IonicContact OE1-CZ 2.79Å; E39-R43 IonicContact OE1-NE 3.99Å; E39-R43 PolarHBondContact OE1-NE 3.11Å; E39-R43 IonicContact OE1-NH2 3.76Å; E39-R43 PolarHBondContact OE1-NH2 3.35Å; E39-W305 HydrophobicContact CB-CH2 3.92Å; E39-W305 HydrophobicContact CB-CZ2 4.12Å; E39-W305 HydrophobicContact CG-CH2 3.58Å; E39-W305 HydrophobicContact CG-CZ2 3.47Å; E39-W305 VanDerWaalsContact CG-CZ2 3.47Å; E39-W305 HydrophobicContact CG-CZ3 4.4Å |
| 40 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.8 | -175.7 | 55.1 | 0 | 0 | 0 | 111 | L21 I36 K37 L38 R42 R43 L44 V260 T302 W305 I306 | L21-L40 HydrophobicContact CD1-CD2 4.08Å; L21-L40 HydrophobicContact CD2-CB 4.22Å; L21-L40 HydrophobicContact CD2-CD2 3.41Å; L21-L40 VanDerWaalsContact CD2-CD2 3.41Å; L21-L40 HydrophobicContact CD2-CG 3.54Å; L21-L40 HydrophobicContact CG-CD2 4.37Å; I36-L40 WeakPolarHBondContact O-CB 3.31Å; I36-L40 PolarHBondContact O-N 3.48Å; K37-L40 PolarHBondContact O-N 3.23Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 2.86Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 2.86Å; L40-R43 PolarHBondContact O-N 3.11Å; L40-L44 HydrophobicContact CD1-CD1 4.01Å; L40-L44 HydrophobicContact CD1-CG 4.08Å; L40-L44 HydrophobicContact CG-CD1 3.83Å; L40-L44 HydrophobicContact CG-CG 4.38Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.78Å; L40-V260 HydrophobicContact CD1-CG1 4.33Å; L40-T302 HydrophobicContact CD1-CG2 3.63Å; L40-W305 HydrophobicContact CB-CH2 4.24Å; L40-W305 HydrophobicContact CB-CZ3 3.81Å; L40-W305 HydrophobicContact CD1-CE3 4.37Å; L40-W305 HydrophobicContact CD1-CZ3 3.86Å; L40-W305 HydrophobicContact CG-CZ3 4.36Å; L40-I306 HydrophobicContact CD1-CB 4.19Å; L40-I306 HydrophobicContact CD1-CG1 4.28Å; L40-I306 HydrophobicContact CD2-CD1 3.98Å; L40-I306 HydrophobicContact CD2-CG1 4Å |
| 41 | I | 96.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 175.2 | -67.4 | 166.6 | 0 | 0 | 0 | 110.8 | L21 K37 L38 R43 L44 T45 I52 L74 L78 Y86 | L21-I41 HydrophobicContact CD1-CD1 4.41Å; L21-I41 HydrophobicContact CD1-CG1 4.12Å; L21-I41 HydrophobicContact CD2-CG1 4.15Å; L21-I41 HydrophobicContact CG-CD1 4.34Å; L21-I41 HydrophobicContact CG-CG1 3.81Å; K37-I41 WeakPolarHBondContact O-CG1 3.41Å; K37-I41 PolarHBondContact O-N 2.67Å; L38-I41 PolarHBondContact O-N 3.26Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3Å; I41-L44 PolarHBondContact O-N 2.67Å; I41-T45 WeakPolarHBondContact O-CB 3.29Å; I41-T45 PolarHBondContact O-N 2.79Å; I41-T45 PolarHBondContact O-OG1 2.63Å; I41-T45 VanDerWaalsContact O-OG1 3.12Å; I41-I52 HydrophobicContact CG1-CG2 4.38Å; I41-I52 HydrophobicContact CG2-CD1 4.32Å; I41-L74 HydrophobicContact CD1-CD1 4.13Å; I41-L78 HydrophobicContact CB-CD1 4.41Å; I41-L78 HydrophobicContact CD1-CD1 3.96Å; I41-L78 HydrophobicContact CG2-CD1 3.64Å; I41-Y86 HydrophobicContact CG2-CE1 3.75Å |
| 42 | R | 96.7 | Very high | 96.2 | Very high | 137 Ų | 137 | 35.2 Ų | 35.2 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.2 | -46 | 178.4 | -170.1 | -167.8 | 69 | 77 | 1.4 | 111.8 | L38 E39 L40 A46 | L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 PolarHBondContact O-N 3.17Å; E39-R42 WeakPolarHBondContact O-CB 3.17Å; E39-R42 PolarHBondContact O-N 3.25Å; E39-R42 IonicContact OE1-CZ 3.72Å; E39-R42 IonicContact OE1-NE 3.43Å; E39-R42 IonicContact OE1-NH2 2.74Å; E39-R42 PolarHBondContact OE1-NH2 3.32Å; E39-R42 IonicContact OE2-CZ 3.27Å; E39-R42 IonicContact OE2-NE 3.89Å; E39-R42 PolarHBondContact OE2-NE 3.13Å; E39-R42 IonicContact OE2-NH2 2.79Å; E39-R42 PolarHBondContact OE2-NH2 2.93Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 2.86Å; R42-A46 WeakPolarHBondContact O-CB 3.49Å; R42-A46 PolarHBondContact O-N 3.33Å |
| 43 | R | 97.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 34.8 Ų | 34.8 | 24% | 0.242 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 178.6 | -74.6 | 178.9 | 178.5 | -104.5 | -5.3 | 112.3 | E39 L40 I41 A46 A47 T302 | E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 3.1Å; E39-R43 IonicContact OE1-CZ 2.79Å; E39-R43 IonicContact OE1-NE 3.99Å; E39-R43 PolarHBondContact OE1-NE 3.11Å; E39-R43 IonicContact OE1-NH2 3.76Å; E39-R43 PolarHBondContact OE1-NH2 3.35Å; L40-R43 PolarHBondContact O-N 3.11Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3Å; R43-A46 CarbonylContact O-C 3.54Å; R43-A46 PolarHBondContact O-N 3.28Å; R43-A47 PolarHBondContact O-N 3.12Å; R43-T302 HydrophobicContact CB-CG2 3.66Å |
| 44 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.1 | -67.7 | 167.8 | 0 | 0 | 0 | 111.8 | E18 L21 L40 I41 A46 A47 G48 L49 I52 V260 L299 T302 | E18-L44 HydrophobicContact CG-CD1 3.74Å; E18-L44 HydrophobicContact CG-CD2 4.14Å; E18-L44 HydrophobicContact CG-CG 4.46Å; L21-L44 HydrophobicContact CD2-CD1 3.51Å; L40-L44 HydrophobicContact CD1-CD1 4.01Å; L40-L44 HydrophobicContact CD1-CG 4.08Å; L40-L44 HydrophobicContact CG-CD1 3.83Å; L40-L44 HydrophobicContact CG-CG 4.38Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.78Å; I41-L44 PolarHBondContact O-N 2.67Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 2.94Å; L44-A47 WeakPolarHBondContact O-CB 3.49Å; L44-A47 PolarHBondContact O-N 3.43Å; L44-G48 PolarHBondContact O-N 3.23Å; L44-L49 HydrophobicContact CB-CD1 3.79Å; L44-L49 HydrophobicContact CD2-CD1 3.53Å; L44-L49 HydrophobicContact CG-CD1 4.18Å; L44-L49 WeakPolarHBondContact O-CB 3.33Å; L44-L49 PolarHBondContact O-N 2.69Å; L44-L49 VanDerWaalsContact O-N 3.17Å; L44-I52 HydrophobicContact CB-CD1 3.75Å; L44-I52 HydrophobicContact CD1-CG2 4.4Å; L44-V260 HydrophobicContact CD2-CB 3.92Å; L44-V260 HydrophobicContact CD2-CG1 4.3Å; L44-V260 HydrophobicContact CD2-CG2 3.99Å; L44-L299 HydrophobicContact CD2-CD1 3.96Å; L44-T302 HydrophobicContact CD2-CG2 4.04Å; L44-T302 HydrophobicContact CG-CG2 4.31Å |
| 45 | T | 97.1 | Very high | 96.5 | Very high | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.135 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 173.6 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | I41 A47 G48 R50 V84 | I41-T45 WeakPolarHBondContact O-CB 3.29Å; I41-T45 PolarHBondContact O-N 2.79Å; I41-T45 PolarHBondContact O-OG1 2.63Å; I41-T45 VanDerWaalsContact O-OG1 3.12Å; T45-A47 VanDerWaalsContact C-N 3.3Å; T45-A47 PolarHBondContact O-N 3.33Å; T45-G48 PolarHBondContact O-N 3.44Å; T45-R50 PolarHBondContact O-NH1 3.37Å; T45-V84 HydrophobicContact CG2-CG2 3.72Å |
| 46 | A | 96.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 41% | 0.413 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.9 | -29.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R42 R43 L44 G48 R295 | R42-A46 WeakPolarHBondContact O-CB 3.49Å; R42-A46 PolarHBondContact O-N 3.33Å; R43-A46 CarbonylContact O-C 3.54Å; R43-A46 PolarHBondContact O-N 3.28Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 2.94Å; A46-G48 PolarHBondContact O-N 3.36Å; A46-R295 PolarHBondContact O-NH2 3.34Å |
| 47 | A | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.6 | -18.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R43 L44 T45 V294 R295 A298 L299 | R43-A47 PolarHBondContact O-N 3.12Å; L44-A47 WeakPolarHBondContact O-CB 3.49Å; L44-A47 PolarHBondContact O-N 3.43Å; T45-A47 VanDerWaalsContact C-N 3.3Å; T45-A47 PolarHBondContact O-N 3.33Å; A47-V294 CarbonylContact O-C 3.58Å; A47-V294 WeakPolarHBondContact O-CA 3.5Å; A47-R295 PolarHBondContact O-N 2.92Å; A47-A298 HydrophobicContact CB-CB 4.07Å; A47-L299 HydrophobicContact CB-CB 4.31Å |
| 48 | G | 97.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 7% | 0.072 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.5 | -0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L44 T45 A46 R50 | L44-G48 PolarHBondContact O-N 3.23Å; T45-G48 PolarHBondContact O-N 3.44Å; A46-G48 PolarHBondContact O-N 3.36Å; G48-R50 PolarHBondContact O-NH1 2.93Å |
| 49 | L | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | trans | -64.1 | 139.4 | 174.8 | -71.5 | 159.7 | 0 | 0 | 0 | 110.5 | V16 E18 L44 I52 T278 V294 L299 | V16-L49 HydrophobicContact CB-CD2 3.95Å; V16-L49 HydrophobicContact CG1-CD2 3.87Å; E18-L49 HydrophobicContact CB-CD1 3.88Å; E18-L49 HydrophobicContact CB-CD2 4.18Å; E18-L49 HydrophobicContact CG-CD1 3.95Å; L44-L49 HydrophobicContact CB-CD1 3.79Å; L44-L49 HydrophobicContact CD2-CD1 3.53Å; L44-L49 HydrophobicContact CG-CD1 4.18Å; L44-L49 WeakPolarHBondContact O-CB 3.33Å; L44-L49 PolarHBondContact O-N 2.69Å; L44-L49 VanDerWaalsContact O-N 3.17Å; L49-I52 HydrophobicContact CB-CD1 4.43Å; L49-I52 HydrophobicContact CB-CG1 4.24Å; L49-T278 HydrophobicContact CD2-CG2 4.47Å; L49-V294 HydrophobicContact CD2-CG2 3.92Å; L49-V294 HydrophobicContact CG-CG2 4.14Å; L49-L299 HydrophobicContact CD1-CD1 4.21Å | ||
| 50 | R | 97.2 | Very high | 92.9 | Very high | 112 Ų | 112 | 26.4 Ų | 26.4 | 42% | 0.423 | 14% | 0.141 | S | C | . | . | trans | -120.9 | -5.7 | -176.6 | -60 | -62.8 | 173.1 | -108.2 | 4.4 | 113.7 | T45 G48 T83 V84 R85 | T45-R50 PolarHBondContact O-NH1 3.37Å; G48-R50 PolarHBondContact O-NH1 2.93Å; R50-T83 WeakPolarHBondContact CD-O 3.4Å; R50-V84 WeakPolarHBondContact O-CA 3.48Å; R50-R85 PolarHBondContact O-N 2.79Å | ||
| 51 | V | 98.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 112.3 | 172.4 | -166.2 | 0 | 0 | 0 | 0 | 107.7 | T15 V17 E18 R85 P87 | T15-V51 HydrophobicContact CG2-CG2 3.69Å; V17-V51 HydrophobicContact CB-CG1 4.4Å; V17-V51 HydrophobicContact CG1-CG1 3.99Å; V17-V51 HydrophobicContact CG2-CB 4.17Å; V17-V51 HydrophobicContact CG2-CG1 4.05Å; E18-V51 PolarHBondContact N-O 2.85Å; V51-R85 WeakPolarHBondContact CA-O 3.4Å; V51-R85 HydrophobicContact CG1-CB 4.34Å; V51-R85 HydrophobicContact CG2-CB 4.49Å; V51-R85 VanDerWaalsContact CG2-NH2 3.26Å; V51-P87 HydrophobicContact CG1-CG 3.87Å |
| 52 | I | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 113.3 | -178.2 | -58.4 | 170.6 | 0 | 0 | 0 | 107.6 | E18 L21 I41 L44 L49 A54 V84 R85 Y86 P87 | E18-I52 HydrophobicContact CB-CG1 4.35Å; L21-I52 HydrophobicContact CD2-CG2 4.29Å; L21-I52 HydrophobicContact CG-CG2 4.45Å; I41-I52 HydrophobicContact CG1-CG2 4.38Å; I41-I52 HydrophobicContact CG2-CD1 4.32Å; L44-I52 HydrophobicContact CB-CD1 3.75Å; L44-I52 HydrophobicContact CD1-CG2 4.4Å; L49-I52 HydrophobicContact CB-CD1 4.43Å; L49-I52 HydrophobicContact CB-CG1 4.24Å; I52-A54 PolarHBondContact O-N 3.09Å; I52-V84 HydrophobicContact CD1-CG1 4.31Å; I52-V84 HydrophobicContact CG1-CG1 4.48Å; I52-R85 PolarHBondContact N-O 3.17Å; I52-Y86 HydrophobicContact CB-CD1 4.27Å; I52-Y86 HydrophobicContact CB-CE1 4.4Å; I52-Y86 HydrophobicContact CD1-CE1 4.43Å; I52-Y86 WeakPolarHBondContact O-CA 3.45Å; I52-P87 WeakPolarHBondContact O-CD 3.32Å |
| 53 | E | 96.6 | Very high | 88 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -72.2 | 101.2 | 177.4 | -164.2 | 178.7 | -117.2 | 0 | 0 | 109.9 | E18 V19 L21 R22 P87 Y167 | E18-E53 PolarHBondContact O-N 3.25Å; V19-E53 HydrophobicContact CG1-CB 4.28Å; L21-E53 VanDerWaalsContact CB-O 3.3Å; L21-E53 WeakPolarHBondContact CB-O 3.39Å; R22-E53 HydrophobicContact CB-CB 4.4Å; R22-E53 HydrophobicContact CB-CG 3.99Å; R22-E53 HydrophobicContact CG-CG 4.42Å; R22-E53 IonicContact CZ-OE2 3.67Å; R22-E53 PolarHBondContact N-O 3.23Å; R22-E53 IonicContact NE-OE1 3.38Å; R22-E53 IonicContact NE-OE2 2.83Å; R22-E53 PolarHBondContact NE-OE2 3.29Å; R22-E53 IonicContact NH2-OE1 2.66Å; R22-E53 IonicContact NH2-OE2 3.36Å; R22-E53 PolarHBondContact NH2-OE2 2.93Å; E53-P87 CarbonylContact C-O 3.5Å; E53-P87 WeakPolarHBondContact CA-O 3.32Å; E53-P87 HydrophobicContact CB-CG 4.22Å; E53-P87 HydrophobicContact CG-CG 4.35Å; E53-Y167 WeakPolarHBondContact OE1-CE2 3.49Å; E53-Y167 PolarHBondContact OE1-OH 2.92Å | ||
| 54 | A | 93.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -77.3 | -40.5 | -158.5 | 0 | 0 | 0 | 0 | 0 | 113 | I52 L74 F75 P87 V88 | I52-A54 PolarHBondContact O-N 3.09Å; A54-L74 WeakPolarHBondContact O-CD2 3.39Å; A54-F75 HydrophobicContact CB-CD2 4.21Å; A54-F75 HydrophobicContact CB-CE2 4.46Å; A54-P87 PolarHBondContact N-O 3.46Å; A54-V88 HydrophobicContact CB-CG1 4.26Å | ||
| 55 | T | 92.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | -175.8 | -175.5 | -162.7 | 0 | 0 | 0 | 0 | 112.2 | F57 H71 V88 L89 | T55-F57 HydrophobicContact CG2-CD2 4.34Å; T55-F57 HydrophobicContact CG2-CE2 3.83Å; T55-F57 HydrophobicContact CG2-CZ 4.43Å; T55-H71 HydrophobicContact CG2-CB 3.74Å; T55-H71 WeakPolarHBondContact OG1-CA 3.33Å; T55-H71 WeakPolarHBondContact OG1-CB 3.45Å; T55-V88 HydrophobicContact CG2-CB 4.43Å; T55-V88 HydrophobicContact CG2-CG1 3.94Å; T55-V88 WeakPolarHBondContact O-CA 3.39Å; T55-L89 PolarHBondContact O-N 2.94Å |
| 56 | S | 90.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.6 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | V58 H71 L89 | S56-V58 PolarHBondContact O-N 3.47Å; S56-V58 VanDerWaalsContact O-N 3.16Å; S56-V58 WeakPolarHBondContact OG-CG1 3.33Å; S56-V58 WeakPolarHBondContact OG-CG2 3.29Å; S56-H71 WeakPolarHBondContact O-CB 3.33Å; S56-L89 CarbonylContact C-O 3.56Å; S56-L89 WeakPolarHBondContact CA-O 3.48Å; S56-L89 WeakPolarHBondContact OG-CB 3.48Å; S56-L89 WeakPolarHBondContact OG-CD2 3.45Å; S56-L89 PolarHBondContact OG-O 3.31Å |
| 57 | F | 88.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | trans | -88.5 | 50.6 | 172.2 | -71.4 | -94.3 | 0 | 0 | 0 | 111.1 | T55 H71 F75 V88 L89 V90 P91 G95 D98 A99 V102 | T55-F57 HydrophobicContact CG2-CD2 4.34Å; T55-F57 HydrophobicContact CG2-CE2 3.83Å; T55-F57 HydrophobicContact CG2-CZ 4.43Å; F57-H71 AromaticContact CD1-CE1 3.81Å; F57-H71 AromaticContact CD1-ND1 3.34Å; F57-H71 VanDerWaalsContact CD1-ND1 3.34Å; F57-H71 WeakPolarHBondContact CD1-ND1 3.49Å; F57-H71 AromaticContact CE1-ND1 3.4Å; F57-H71 WeakPolarHBondContact CE1-ND1 3.25Å; F57-F75 HydrophobicContact CZ-CB 4.29Å; F57-V88 HydrophobicContact CD2-CB 3.97Å; F57-V88 HydrophobicContact CD2-CG2 3.84Å; F57-V88 HydrophobicContact CE2-CB 3.91Å; F57-V88 HydrophobicContact CE2-CG1 4.06Å; F57-V88 HydrophobicContact CE2-CG2 3.82Å; F57-L89 PolarHBondContact N-O 3.37Å; F57-V90 HydrophobicContact CB-CG1 4.41Å; F57-P91 WeakPolarHBondContact O-CD 3.4Å; F57-G95 WeakPolarHBondContact CB-O 3.36Å; F57-G95 WeakPolarHBondContact O-CA 3.48Å; F57-D98 HydrophobicContact CD1-CB 3.79Å; F57-D98 HydrophobicContact CE1-CB 4.46Å; F57-A99 HydrophobicContact CB-CB 4.33Å; F57-A99 HydrophobicContact CD1-CB 4.05Å; F57-A99 HydrophobicContact CD2-CB 3.52Å; F57-A99 HydrophobicContact CE1-CB 4.27Å; F57-A99 HydrophobicContact CE2-CB 3.77Å; F57-A99 HydrophobicContact CG-CB 3.69Å; F57-A99 HydrophobicContact CZ-CB 4.15Å; F57-V102 HydrophobicContact CE1-CG2 3.59Å; F57-V102 HydrophobicContact CZ-CG2 3.39Å | ||
| 58 | V | 82.7 | Confident | 78.5 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | trans | -86 | 145.9 | 170.5 | -77.4 | 0 | 0 | 0 | 0 | 109.3 | S56 A60 V63 P91 | S56-V58 PolarHBondContact O-N 3.47Å; S56-V58 VanDerWaalsContact O-N 3.16Å; S56-V58 WeakPolarHBondContact OG-CG1 3.33Å; S56-V58 WeakPolarHBondContact OG-CG2 3.29Å; V58-A60 PolarHBondContact O-N 2.9Å; V58-A60 VanDerWaalsContact O-N 3.15Å; V58-V63 HydrophobicContact CB-CG2 3.72Å; V58-V63 HydrophobicContact CG1-CG2 4.33Å; V58-V63 HydrophobicContact CG2-CB 4Å; V58-V63 HydrophobicContact CG2-CG1 4.4Å; V58-V63 HydrophobicContact CG2-CG2 3.37Å; V58-P91 HydrophobicContact CB-CG 4.41Å; V58-P91 HydrophobicContact CG1-CB 4.08Å; V58-P91 HydrophobicContact CG1-CG 3.68Å | ||
| 59 | S | 74.7 | Confident | 77.5 | Confident | 65 Ų | 65 | 45 Ų | 45 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | trans | -57.2 | 125.1 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | K61 K62 V63 | S59-K61 PolarHBondContact O-N 3.47Å; S59-K61 PolarHBondContact OG-N 2.86Å; S59-K62 PolarHBondContact O-N 2.84Å; S59-V63 PolarHBondContact O-N 2.99Å | ||
| 60 | A | 66.7 | Low | 76.9 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 49% | 0.488 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -23.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V58 | V58-A60 PolarHBondContact O-N 2.9Å; V58-A60 VanDerWaalsContact O-N 3.15Å |
| 61 | K | 65.1 | Low | 76.4 | Confident | 194 Ų | 194 | 42 Ų | 42 | 84% | 0.843 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.2 | 174.9 | -66.9 | -175.3 | 178.2 | -179.4 | 0 | 113.7 | S59 | S59-K61 PolarHBondContact O-N 3.47Å; S59-K61 PolarHBondContact OG-N 2.86Å |
| 62 | K | 62.6 | Low | 75.7 | Confident | 169 Ų | 169 | 42.6 Ų | 42.6 | 74% | 0.735 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | -19.2 | -174.4 | -70.5 | -170.3 | 176.1 | -175.2 | 0 | 113.4 | S59 P64 | S59-K62 PolarHBondContact O-N 2.84Å; K62-P64 VanDerWaalsContact O-CD 3.27Å; K62-P64 WeakPolarHBondContact O-CD 3.45Å |
| 63 | V | 58.7 | Low | 75.2 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | trans | -110.1 | 91.7 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 106.4 | V58 S59 Q65 | V58-V63 HydrophobicContact CB-CG2 3.72Å; V58-V63 HydrophobicContact CG1-CG2 4.33Å; V58-V63 HydrophobicContact CG2-CB 4Å; V58-V63 HydrophobicContact CG2-CG1 4.4Å; V58-V63 HydrophobicContact CG2-CG2 3.37Å; S59-V63 PolarHBondContact O-N 2.99Å; V63-Q65 HydrophobicContact CG1-CB 4.21Å; V63-Q65 PolarHBondContact O-N 3.46Å | ||
| 64 | P | 49.8 | Very low | 74.9 | Confident | 115 Ų | 115 | 46.8 Ų | 46.8 | 75% | 0.747 | 27% | 0.266 | S | S | * | . | trans | -63.4 | -9.9 | -178.2 | 24.8 | -32.6 | 0 | 0 | 0 | 112.5 | K62 A66 | K62-P64 VanDerWaalsContact O-CD 3.27Å; K62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-A66 PolarHBondContact O-N 3.33Å; P64-A66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | Q | 54.8 | Low | 74.7 | Confident | 59 Ų | 59 | 47 Ų | 47 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | trans | -75.5 | 99.4 | 173.3 | -53.4 | 101.7 | -35.5 | 0 | 0 | 109.4 | Q26 V63 G67 L68 | Q26-Q65 WeakPolarHBondContact O-CB 3.4Å; Q26-Q65 WeakPolarHBondContact O-CG 3.23Å; Q26-Q65 PolarHBondContact O-NE2 2.88Å; V63-Q65 HydrophobicContact CG1-CB 4.21Å; V63-Q65 PolarHBondContact O-N 3.46Å; Q65-G67 PolarHBondContact O-N 3.41Å; Q65-L68 PolarHBondContact O-N 2.93Å | ||
| 66 | A | 51.6 | Low | 74.4 | Confident | 52 Ų | 52 | 49 Ų | 49 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -52.9 | -13.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T31 P64 L68 A69 | T31-A66 HydrophobicContact CG2-CB 3.91Å; T31-A66 WeakPolarHBondContact CG2-O 3.37Å; T31-A66 WeakPolarHBondContact OG1-CB 3.46Å; P64-A66 PolarHBondContact O-N 3.33Å; P64-A66 VanDerWaalsContact O-N 3.1Å; A66-L68 PolarHBondContact O-N 2.96Å; A66-A69 PolarHBondContact O-N 2.73Å |
| 67 | G | 57.2 | Low | 74.3 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -55.3 | -25 | 173 | 0 | 0 | 0 | 0 | 0 | 116.2 | T31 K37 Q65 | T31-G67 PolarHBondContact OG1-N 3.42Å; K37-G67 WeakPolarHBondContact CE-O 3.46Å; K37-G67 PolarHBondContact NZ-O 3.41Å; Q65-G67 PolarHBondContact O-N 3.41Å |
| 68 | L | 74.3 | Confident | 74.3 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -115.6 | 1.5 | 178 | -63.2 | 179.5 | 0 | 0 | 0 | 113.9 | R22 Q26 Q65 A66 D70 H71 | R22-L68 HydrophobicContact CG-CD1 4.48Å; Q26-L68 HydrophobicContact CB-CD1 4.01Å; Q26-L68 HydrophobicContact CG-CD1 4.12Å; Q65-L68 PolarHBondContact O-N 2.93Å; A66-L68 PolarHBondContact O-N 2.96Å; L68-D70 PolarHBondContact O-N 2.94Å; L68-D70 VanDerWaalsContact O-N 3.17Å; L68-H71 WeakPolarHBondContact O-CB 3.33Å; L68-H71 PolarHBondContact O-CD2 3.04Å; L68-H71 PolarHBondContact O-N 2.73Å; L68-H71 VanDerWaalsContact O-N 3.11Å |
| 69 | A | 77.4 | Confident | 74.3 | Confident | 56 Ų | 56 | 59 Ų | 59 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A66 H71 | A66-A69 PolarHBondContact O-N 2.73Å; A69-H71 VanDerWaalsContact C-N 3.31Å |
| 70 | D | 84.6 | Confident | 74.7 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 15 | 176.5 | 68 | -22.7 | 0 | 0 | 0 | 113.3 | T34 K37 L68 A72 K73 L74 | T34-D70 VanDerWaalsContact CA-OD2 3.31Å; T34-D70 WeakPolarHBondContact CA-OD2 3.22Å; T34-D70 WeakPolarHBondContact CB-OD2 3.4Å; T34-D70 PolarHBondContact OG1-OD2 3.32Å; K37-D70 IonicContact NZ-OD1 3.31Å; K37-D70 PolarHBondContact NZ-OD1 3.06Å; K37-D70 IonicContact NZ-OD2 2.69Å; K37-D70 PolarHBondContact NZ-OD2 3.19Å; L68-D70 PolarHBondContact O-N 2.94Å; L68-D70 VanDerWaalsContact O-N 3.17Å; D70-A72 PolarHBondContact O-N 3.42Å; D70-A72 VanDerWaalsContact O-N 3.11Å; D70-K73 HydrophobicContact CB-CB 4.48Å; D70-K73 WeakPolarHBondContact O-CA 3.23Å; D70-K73 PolarHBondContact O-N 3.29Å; D70-L74 WeakPolarHBondContact O-CB 3.5Å; D70-L74 PolarHBondContact O-N 3.06Å |
| 71 | H | 86.5 | Confident | 75.4 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.111 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -46.2 | -44.6 | -176.2 | 57.6 | 79.4 | 0 | 0 | 0 | 113.7 | T55 S56 F57 L68 A69 F75 | T55-H71 HydrophobicContact CG2-CB 3.74Å; T55-H71 WeakPolarHBondContact OG1-CA 3.33Å; T55-H71 WeakPolarHBondContact OG1-CB 3.45Å; S56-H71 WeakPolarHBondContact O-CB 3.33Å; F57-H71 AromaticContact CD1-CE1 3.81Å; F57-H71 AromaticContact CD1-ND1 3.34Å; F57-H71 VanDerWaalsContact CD1-ND1 3.34Å; F57-H71 WeakPolarHBondContact CD1-ND1 3.49Å; F57-H71 AromaticContact CE1-ND1 3.4Å; F57-H71 WeakPolarHBondContact CE1-ND1 3.25Å; L68-H71 WeakPolarHBondContact O-CB 3.33Å; L68-H71 PolarHBondContact O-CD2 3.04Å; L68-H71 PolarHBondContact O-N 2.73Å; L68-H71 VanDerWaalsContact O-N 3.11Å; A69-H71 VanDerWaalsContact C-N 3.31Å; H71-F75 WeakPolarHBondContact O-CB 3.35Å; H71-F75 PolarHBondContact O-N 3.34Å |
| 72 | A | 84.3 | Confident | 76.4 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D70 G76 V102 L105 F106 | D70-A72 PolarHBondContact O-N 3.42Å; D70-A72 VanDerWaalsContact O-N 3.11Å; A72-G76 PolarHBondContact O-N 3.07Å; A72-V102 WeakPolarHBondContact O-CG1 3.34Å; A72-L105 HydrophobicContact CB-CD1 3.56Å; A72-F106 HydrophobicContact CB-CE2 4.36Å; A72-F106 HydrophobicContact CB-CZ 4.1Å; A72-F106 WeakPolarHBondContact O-CE2 3.28Å |
| 73 | K | 86.8 | Confident | 77.7 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 178.5 | -172.8 | -171.4 | 166.4 | -159.6 | 0 | 110.3 | T34 E35 D70 S77 F106 | T34-K73 HydrophobicContact CG2-CD 4.21Å; T34-K73 HydrophobicContact CG2-CG 4.14Å; E35-K73 IonicContact OE1-NZ 3.11Å; E35-K73 PolarHBondContact OE1-NZ 3.46Å; D70-K73 HydrophobicContact CB-CB 4.48Å; D70-K73 WeakPolarHBondContact O-CA 3.23Å; D70-K73 PolarHBondContact O-N 3.29Å; K73-S77 WeakPolarHBondContact O-CB 3.23Å; K73-S77 PolarHBondContact O-N 3.1Å; K73-S77 PolarHBondContact O-OG 3.04Å; K73-F106 HydrophobicContact CB-CZ 4.21Å |
| 74 | L | 90.3 | Very high | 79.5 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -53.9 | 177.7 | 177.5 | 59.7 | 0 | 0 | 0 | 111.2 | T34 K37 L38 I41 A54 D70 S77 L78 | T34-L74 HydrophobicContact CG2-CB 4.08Å; T34-L74 HydrophobicContact CG2-CD1 4.16Å; K37-L74 HydrophobicContact CB-CD1 3.67Å; K37-L74 HydrophobicContact CB-CD2 4.1Å; K37-L74 HydrophobicContact CD-CD2 3.93Å; L38-L74 HydrophobicContact CD2-CD1 3.76Å; L38-L74 HydrophobicContact CG-CD1 3.83Å; I41-L74 HydrophobicContact CD1-CD1 4.13Å; A54-L74 WeakPolarHBondContact O-CD2 3.39Å; D70-L74 WeakPolarHBondContact O-CB 3.5Å; D70-L74 PolarHBondContact O-N 3.06Å; L74-S77 PolarHBondContact O-N 3.32Å; L74-L78 PolarHBondContact O-N 3.49Å; L74-L78 VanDerWaalsContact O-N 3.17Å |
| 75 | F | 89.2 | Confident | 81.6 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.6 | -34.9 | -176.1 | -161.5 | -91.5 | 0 | 0 | 0 | 112.6 | A54 F57 H71 L78 V88 V102 D120 V121 | A54-F75 HydrophobicContact CB-CD2 4.21Å; A54-F75 HydrophobicContact CB-CE2 4.46Å; F57-F75 HydrophobicContact CZ-CB 4.29Å; H71-F75 WeakPolarHBondContact O-CB 3.35Å; H71-F75 PolarHBondContact O-N 3.34Å; F75-L78 WeakPolarHBondContact O-CB 3.26Å; F75-L78 PolarHBondContact O-N 3.02Å; F75-V88 HydrophobicContact CD2-CG1 3.64Å; F75-V88 HydrophobicContact CE2-CG1 3.56Å; F75-V88 HydrophobicContact CZ-CG1 4.47Å; F75-V102 HydrophobicContact CB-CG1 4.49Å; F75-V102 HydrophobicContact CD1-CB 4.41Å; F75-V102 HydrophobicContact CD1-CG1 4.37Å; F75-V102 HydrophobicContact CD1-CG2 4.05Å; F75-D120 HydrophobicContact CE1-CB 4.08Å; F75-D120 VanDerWaalsContact CE1-O 3.27Å; F75-D120 WeakPolarHBondContact CE1-O 3.49Å; F75-V121 HydrophobicContact CD1-CG2 4.05Å; F75-V121 HydrophobicContact CE1-CB 4.44Å; F75-V121 HydrophobicContact CE1-CG2 3.35Å; F75-V121 HydrophobicContact CE2-CG2 4.13Å; F75-V121 HydrophobicContact CZ-CB 4.32Å; F75-V121 HydrophobicContact CZ-CG2 3.4Å; F75-V121 VanDerWaalsContact CZ-CG2 3.4Å |
| 76 | G | 87.1 | Confident | 83.6 | Confident | 44 Ų | 44 | 50 Ų | 50 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.2 | -29.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A72 | A72-G76 PolarHBondContact O-N 3.07Å |
| 77 | S | 88.5 | Confident | 85.7 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.7 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | K73 L74 N79 | K73-S77 WeakPolarHBondContact O-CB 3.23Å; K73-S77 PolarHBondContact O-N 3.1Å; K73-S77 PolarHBondContact O-OG 3.04Å; L74-S77 PolarHBondContact O-N 3.32Å; S77-N79 PolarHBondContact O-N 2.82Å |
| 78 | L | 87.2 | Confident | 87.5 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | trans | -68.9 | 119 | -179.9 | -174.9 | 64.8 | 0 | 0 | 0 | 109.8 | L38 I41 L74 F75 K80 Y86 | L38-L78 HydrophobicContact CD2-CD1 4.37Å; I41-L78 HydrophobicContact CB-CD1 4.41Å; I41-L78 HydrophobicContact CD1-CD1 3.96Å; I41-L78 HydrophobicContact CG2-CD1 3.64Å; L74-L78 PolarHBondContact O-N 3.49Å; L74-L78 VanDerWaalsContact O-N 3.17Å; F75-L78 WeakPolarHBondContact O-CB 3.26Å; F75-L78 PolarHBondContact O-N 3.02Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 HydrophobicContact CB-CG 4.42Å; L78-K80 HydrophobicContact CD2-CG 4.09Å; L78-K80 HydrophobicContact CG-CG 4.15Å; L78-K80 PolarHBondContact O-N 3.14Å; L78-Y86 HydrophobicContact CD1-CE1 4.28Å; L78-Y86 HydrophobicContact CD2-CD1 3.68Å; L78-Y86 HydrophobicContact CD2-CD2 3.73Å; L78-Y86 HydrophobicContact CD2-CE1 3.85Å; L78-Y86 HydrophobicContact CD2-CE2 3.91Å; L78-Y86 HydrophobicContact CD2-CG 3.59Å | ||
| 79 | N | 83.9 | Confident | 88.4 | Confident | 154 Ų | 154 | 47.4 Ų | 47.4 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | trans | -73.5 | 89.6 | 165.9 | -172.6 | 13.3 | 0 | 0 | 0 | 108.5 | S77 D81 | S77-N79 PolarHBondContact O-N 2.82Å; N79-D81 PolarHBondContact O-N 3.16Å | ||
| 80 | K | 81.3 | Confident | 89.1 | Confident | 75 Ų | 75 | 44.8 Ų | 44.8 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | trans | -65.2 | 104.9 | -171.7 | -64.6 | 171.6 | -168 | 170.8 | 0 | 110.5 | L78 D120 | L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 HydrophobicContact CB-CG 4.42Å; L78-K80 HydrophobicContact CD2-CG 4.09Å; L78-K80 HydrophobicContact CG-CG 4.15Å; L78-K80 PolarHBondContact O-N 3.14Å; K80-D120 PolarHBondContact NZ-O 3.46Å; K80-D120 IonicContact NZ-OD1 2.71Å; K80-D120 PolarHBondContact NZ-OD1 3.3Å; K80-D120 VanDerWaalsContact NZ-OD1 3.15Å | ||
| 81 | D | 82.3 | Confident | 89.2 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | trans | -67 | 127.3 | 168.3 | -173.3 | -31.8 | 0 | 0 | 0 | 109.3 | N79 T83 V84 | N79-D81 PolarHBondContact O-N 3.16Å; D81-T83 VanDerWaalsContact CG-OG1 3.25Å; D81-T83 PolarHBondContact O-N 3.45Å; D81-T83 WeakPolarHBondContact OD1-CB 3.36Å; D81-T83 PolarHBondContact OD1-N 3.31Å; D81-T83 PolarHBondContact OD1-OG1 2.84Å; D81-T83 PolarHBondContact OD2-OG1 2.81Å; D81-V84 HydrophobicContact CB-CB 4.22Å; D81-V84 HydrophobicContact CB-CG2 3.9Å; D81-V84 PolarHBondContact O-N 3.41Å; D81-V84 VanDerWaalsContact O-N 3.14Å | ||
| 82 | T | 86.6 | Confident | 89.2 | Confident | 144 Ų | 144 | 47 Ų | 47 | 88% | 0.883 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.6 | -178.5 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 83 | T | 90.4 | Very high | 89.4 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 52% | 0.521 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.9 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | R50 D81 | R50-T83 WeakPolarHBondContact CD-O 3.4Å; D81-T83 VanDerWaalsContact CG-OG1 3.25Å; D81-T83 PolarHBondContact O-N 3.45Å; D81-T83 WeakPolarHBondContact OD1-CB 3.36Å; D81-T83 PolarHBondContact OD1-N 3.31Å; D81-T83 PolarHBondContact OD1-OG1 2.84Å; D81-T83 PolarHBondContact OD2-OG1 2.81Å |
| 84 | V | 95 | Very high | 89.4 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | trans | -115.2 | 135.9 | -177.1 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | T45 R50 I52 D81 Y86 | T45-V84 HydrophobicContact CG2-CG2 3.72Å; R50-V84 WeakPolarHBondContact O-CA 3.48Å; I52-V84 HydrophobicContact CD1-CG1 4.31Å; I52-V84 HydrophobicContact CG1-CG1 4.48Å; D81-V84 HydrophobicContact CB-CB 4.22Å; D81-V84 HydrophobicContact CB-CG2 3.9Å; D81-V84 PolarHBondContact O-N 3.41Å; D81-V84 VanDerWaalsContact O-N 3.14Å; V84-Y86 HydrophobicContact CB-CE1 4.28Å; V84-Y86 HydrophobicContact CB-CE2 3.76Å; V84-Y86 HydrophobicContact CG1-CD1 4.11Å; V84-Y86 HydrophobicContact CG1-CD2 4.38Å; V84-Y86 HydrophobicContact CG1-CE1 3.49Å; V84-Y86 VanDerWaalsContact CG1-CE1 3.49Å; V84-Y86 HydrophobicContact CG1-CE2 3.81Å | ||
| 85 | R | 95.5 | Very high | 89.3 | Confident | 98 Ų | 98 | 47.9 Ų | 47.9 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -95.2 | 138.2 | 171.4 | -60.1 | -170.4 | -65.7 | 137.2 | -8.7 | 109.9 | R50 V51 I52 P87 E123 | R50-R85 PolarHBondContact O-N 2.79Å; V51-R85 WeakPolarHBondContact CA-O 3.4Å; V51-R85 HydrophobicContact CG1-CB 4.34Å; V51-R85 HydrophobicContact CG2-CB 4.49Å; V51-R85 VanDerWaalsContact CG2-NH2 3.26Å; I52-R85 PolarHBondContact N-O 3.17Å; R85-P87 VanDerWaalsContact C-CD 3.5Å; R85-P87 WeakPolarHBondContact O-CD 3.19Å; R85-E123 WeakPolarHBondContact CD-OE2 3.33Å; R85-E123 IonicContact CZ-OE2 3.15Å; R85-E123 IonicContact NE-OE2 2.64Å; R85-E123 IonicContact NH1-OE1 2.7Å; R85-E123 PolarHBondContact NH1-OE1 3.28Å; R85-E123 IonicContact NH1-OE2 3.27Å; R85-E123 PolarHBondContact NH1-OE2 3.36Å |
| 86 | Y | 95.5 | Very high | 89.2 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | trans | -124.4 | 72 | -177.5 | -59.9 | -75.9 | 0 | 0 | 0 | 110.8 | I41 I52 L78 V84 | I41-Y86 HydrophobicContact CG2-CE1 3.75Å; I52-Y86 HydrophobicContact CB-CD1 4.27Å; I52-Y86 HydrophobicContact CB-CE1 4.4Å; I52-Y86 HydrophobicContact CD1-CE1 4.43Å; I52-Y86 WeakPolarHBondContact O-CA 3.45Å; L78-Y86 HydrophobicContact CD1-CE1 4.28Å; L78-Y86 HydrophobicContact CD2-CD1 3.68Å; L78-Y86 HydrophobicContact CD2-CD2 3.73Å; L78-Y86 HydrophobicContact CD2-CE1 3.85Å; L78-Y86 HydrophobicContact CD2-CE2 3.91Å; L78-Y86 HydrophobicContact CD2-CG 3.59Å; V84-Y86 HydrophobicContact CB-CE1 4.28Å; V84-Y86 HydrophobicContact CB-CE2 3.76Å; V84-Y86 HydrophobicContact CG1-CD1 4.11Å; V84-Y86 HydrophobicContact CG1-CD2 4.38Å; V84-Y86 HydrophobicContact CG1-CE1 3.49Å; V84-Y86 VanDerWaalsContact CG1-CE1 3.49Å; V84-Y86 HydrophobicContact CG1-CE2 3.81Å | ||
| 87 | P | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -57.9 | 144.8 | 174.5 | 21.4 | -29.3 | 0 | 0 | 0 | 110.8 | V51 I52 E53 A54 R85 E123 | V51-P87 HydrophobicContact CG1-CG 3.87Å; I52-P87 WeakPolarHBondContact O-CD 3.32Å; E53-P87 CarbonylContact C-O 3.5Å; E53-P87 WeakPolarHBondContact CA-O 3.32Å; E53-P87 HydrophobicContact CB-CG 4.22Å; E53-P87 HydrophobicContact CG-CG 4.35Å; A54-P87 PolarHBondContact N-O 3.46Å; R85-P87 VanDerWaalsContact C-CD 3.5Å; R85-P87 WeakPolarHBondContact O-CD 3.19Å; P87-E123 WeakPolarHBondContact CA-O 3.4Å; P87-E123 HydrophobicContact CB-CB 4.36Å; P87-E123 HydrophobicContact CB-CG 3.9Å | ||
| 88 | V | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.2 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | A54 T55 F57 F75 V90 A99 V121 E123 I124 A125 | A54-V88 HydrophobicContact CB-CG1 4.26Å; T55-V88 HydrophobicContact CG2-CB 4.43Å; T55-V88 HydrophobicContact CG2-CG1 3.94Å; T55-V88 WeakPolarHBondContact O-CA 3.39Å; F57-V88 HydrophobicContact CD2-CB 3.97Å; F57-V88 HydrophobicContact CD2-CG2 3.84Å; F57-V88 HydrophobicContact CE2-CB 3.91Å; F57-V88 HydrophobicContact CE2-CG1 4.06Å; F57-V88 HydrophobicContact CE2-CG2 3.82Å; F75-V88 HydrophobicContact CD2-CG1 3.64Å; F75-V88 HydrophobicContact CE2-CG1 3.56Å; F75-V88 HydrophobicContact CZ-CG1 4.47Å; V88-V90 HydrophobicContact CG2-CG1 4.42Å; V88-V90 PolarHBondContact O-N 2.9Å; V88-A99 HydrophobicContact CG2-CB 4.18Å; V88-V121 HydrophobicContact CG2-CB 4.34Å; V88-V121 HydrophobicContact CG2-CG1 3.57Å; V88-V121 HydrophobicContact CG2-CG2 3.78Å; V88-E123 PolarHBondContact N-O 3.3Å; V88-I124 HydrophobicContact CG2-CG2 4.42Å; V88-I124 CarbonylContact O-C 3.53Å; V88-I124 WeakPolarHBondContact O-CA 3.32Å; V88-A125 PolarHBondContact O-N 3.47Å |
| 89 | L | 94 | Very high | 88.9 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.3 | -178.9 | 179.9 | 72.2 | 0 | 0 | 0 | 110.9 | T55 S56 F57 A125 L127 | T55-L89 PolarHBondContact O-N 2.94Å; S56-L89 CarbonylContact C-O 3.56Å; S56-L89 WeakPolarHBondContact CA-O 3.48Å; S56-L89 WeakPolarHBondContact OG-CB 3.48Å; S56-L89 WeakPolarHBondContact OG-CD2 3.45Å; S56-L89 PolarHBondContact OG-O 3.31Å; F57-L89 PolarHBondContact N-O 3.37Å; L89-A125 WeakPolarHBondContact CA-O 3.38Å; L89-A125 HydrophobicContact CB-CB 4.48Å; L89-A125 HydrophobicContact CD1-CB 3.98Å; L89-A125 WeakPolarHBondContact CD1-O 3.27Å; L89-L127 HydrophobicContact CD1-CD1 4.29Å; L89-L127 HydrophobicContact CD1-CD2 3.91Å; L89-L127 HydrophobicContact CD1-CG 3.66Å; L89-L127 HydrophobicContact CD2-CD1 3.96Å; L89-L127 HydrophobicContact CD2-CG 4.25Å |
| 90 | V | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -119.1 | 114.6 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | F57 V88 A99 I124 A125 V126 I153 | F57-V90 HydrophobicContact CB-CG1 4.41Å; V88-V90 HydrophobicContact CG2-CG1 4.42Å; V88-V90 PolarHBondContact O-N 2.9Å; V90-A99 HydrophobicContact CG1-CB 3.85Å; V90-I124 HydrophobicContact CG1-CB 4.33Å; V90-I124 HydrophobicContact CG1-CG2 3.99Å; V90-I124 HydrophobicContact CG2-CB 3.8Å; V90-I124 HydrophobicContact CG2-CD1 3.63Å; V90-I124 HydrophobicContact CG2-CG1 4.22Å; V90-I124 HydrophobicContact CG2-CG2 4.18Å; V90-A125 PolarHBondContact N-O 3.25Å; V90-V126 HydrophobicContact CG2-CG1 4.14Å; V90-I153 HydrophobicContact CG2-CD1 4.25Å | ||
| 91 | P | 86.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 41.7 Ų | 41.7 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -82.6 | -16.4 | -174.8 | 33.6 | -39 | 0 | 0 | 0 | 114 | F57 V58 | F57-P91 WeakPolarHBondContact O-CD 3.4Å; V58-P91 HydrophobicContact CB-CG 4.41Å; V58-P91 HydrophobicContact CG1-CB 4.08Å; V58-P91 HydrophobicContact CG1-CG 3.68Å | ||
| 92 | N | 87.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 38.8 Ų | 38.8 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -166.4 | 178.2 | -175.1 | 56.9 | 55.4 | 0 | 0 | 0 | 111 | Q94 G95 L96 | N92-Q94 VanDerWaalsContact C-N 3.29Å; N92-Q94 PolarHBondContact O-N 3.36Å; N92-Q94 WeakPolarHBondContact OD1-CA 3.4Å; N92-Q94 WeakPolarHBondContact OD1-CB 3.44Å; N92-Q94 PolarHBondContact OD1-N 3.36Å; N92-G95 PolarHBondContact O-N 2.8Å; N92-G95 PolarHBondContact OD1-N 2.82Å; N92-L96 PolarHBondContact O-N 3.01Å |
| 93 | V | 88.6 | Confident | 87.4 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 113.2 | L96 R97 Q152 I153 | V93-L96 WeakPolarHBondContact O-CB 3.39Å; V93-L96 PolarHBondContact O-N 3.16Å; V93-R97 HydrophobicContact CG1-CG 4.48Å; V93-R97 WeakPolarHBondContact O-CG 3.48Å; V93-R97 PolarHBondContact O-N 3.07Å; V93-Q152 HydrophobicContact CG2-CB 3.62Å; V93-I153 HydrophobicContact CG2-CG1 4.3Å |
| 94 | Q | 86.3 | Confident | 86.2 | Confident | 99 Ų | 99 | 33.1 Ų | 33.1 | 46% | 0.463 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.1 | -47.2 | 176.8 | -173.9 | 60.3 | 48.8 | 0 | 0 | 110.7 | N92 L96 R97 D98 | N92-Q94 VanDerWaalsContact C-N 3.29Å; N92-Q94 PolarHBondContact O-N 3.36Å; N92-Q94 WeakPolarHBondContact OD1-CA 3.4Å; N92-Q94 WeakPolarHBondContact OD1-CB 3.44Å; N92-Q94 PolarHBondContact OD1-N 3.36Å; Q94-L96 VanDerWaalsContact C-N 3.26Å; Q94-L96 PolarHBondContact O-N 3.02Å; Q94-R97 WeakPolarHBondContact O-CB 3.41Å; Q94-R97 PolarHBondContact O-N 3.19Å; Q94-R97 VanDerWaalsContact O-N 3.09Å; Q94-D98 PolarHBondContact NE2-OD1 3.31Å; Q94-D98 PolarHBondContact O-N 3.36Å |
| 95 | G | 87.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F57 N92 D98 A99 | F57-G95 WeakPolarHBondContact CB-O 3.36Å; F57-G95 WeakPolarHBondContact O-CA 3.48Å; N92-G95 PolarHBondContact O-N 2.8Å; N92-G95 PolarHBondContact OD1-N 2.82Å; G95-D98 PolarHBondContact O-N 3.45Å; G95-A99 WeakPolarHBondContact O-CB 3.35Å; G95-A99 PolarHBondContact O-N 3Å |
| 96 | L | 88 | Confident | 83.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 171 | 173.7 | 65 | 0 | 0 | 0 | 111.6 | N92 V93 Q94 D98 A99 V100 I124 I153 T156 L162 | N92-L96 PolarHBondContact O-N 3.01Å; V93-L96 WeakPolarHBondContact O-CB 3.39Å; V93-L96 PolarHBondContact O-N 3.16Å; Q94-L96 VanDerWaalsContact C-N 3.26Å; Q94-L96 PolarHBondContact O-N 3.02Å; L96-D98 VanDerWaalsContact C-N 3.3Å; L96-D98 PolarHBondContact O-N 3.05Å; L96-A99 WeakPolarHBondContact O-CB 3.29Å; L96-A99 PolarHBondContact O-N 2.84Å; L96-V100 HydrophobicContact CD1-CG1 3.92Å; L96-V100 WeakPolarHBondContact O-CG2 3.4Å; L96-V100 PolarHBondContact O-N 3.16Å; L96-I124 HydrophobicContact CD1-CD1 4.08Å; L96-I124 HydrophobicContact CD1-CG2 4.32Å; L96-I153 HydrophobicContact CD2-CG2 4.13Å; L96-T156 HydrophobicContact CD2-CG2 3.83Å; L96-L162 HydrophobicContact CD1-CD1 3.55Å |
| 97 | R | 86.3 | Confident | 81.4 | Confident | 127 Ų | 127 | 39.8 Ų | 39.8 | 48% | 0.479 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 178.7 | -73.8 | 172.9 | -177.4 | 170.6 | -0.5 | 111.5 | V93 Q94 A99 N101 | V93-R97 HydrophobicContact CG1-CG 4.48Å; V93-R97 WeakPolarHBondContact O-CG 3.48Å; V93-R97 PolarHBondContact O-N 3.07Å; Q94-R97 WeakPolarHBondContact O-CB 3.41Å; Q94-R97 PolarHBondContact O-N 3.19Å; Q94-R97 VanDerWaalsContact O-N 3.09Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-N101 VanDerWaalsContact O-CB 3.23Å; R97-N101 WeakPolarHBondContact O-CB 3.45Å; R97-N101 PolarHBondContact O-N 3.37Å; R97-N101 PolarHBondContact O-ND2 3.09Å |
| 98 | D | 85 | Confident | 79.4 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.5 | -60.6 | -17.1 | 0 | 0 | 0 | 111 | F57 Q94 G95 L96 V102 | F57-D98 HydrophobicContact CD1-CB 3.79Å; F57-D98 HydrophobicContact CE1-CB 4.46Å; Q94-D98 PolarHBondContact NE2-OD1 3.31Å; Q94-D98 PolarHBondContact O-N 3.36Å; G95-D98 PolarHBondContact O-N 3.45Å; L96-D98 VanDerWaalsContact C-N 3.3Å; L96-D98 PolarHBondContact O-N 3.05Å; D98-V102 WeakPolarHBondContact O-CG2 3.49Å; D98-V102 PolarHBondContact O-N 3.16Å |
| 99 | A | 84.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F57 V88 V90 G95 L96 R97 N101 V102 V121 | F57-A99 HydrophobicContact CB-CB 4.33Å; F57-A99 HydrophobicContact CD1-CB 4.05Å; F57-A99 HydrophobicContact CD2-CB 3.52Å; F57-A99 HydrophobicContact CE1-CB 4.27Å; F57-A99 HydrophobicContact CE2-CB 3.77Å; F57-A99 HydrophobicContact CG-CB 3.69Å; F57-A99 HydrophobicContact CZ-CB 4.15Å; V88-A99 HydrophobicContact CG2-CB 4.18Å; V90-A99 HydrophobicContact CG1-CB 3.85Å; G95-A99 WeakPolarHBondContact O-CB 3.35Å; G95-A99 PolarHBondContact O-N 3Å; L96-A99 WeakPolarHBondContact O-CB 3.29Å; L96-A99 PolarHBondContact O-N 2.84Å; R97-A99 VanDerWaalsContact C-N 3.34Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-V102 VanDerWaalsContact O-CG2 3.29Å; A99-V102 WeakPolarHBondContact O-CG2 3.24Å; A99-V121 HydrophobicContact CB-CG2 4.16Å; A99-V121 WeakPolarHBondContact O-CG2 3.29Å |
| 100 | V | 82.8 | Confident | 75.6 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78.3 | -21.2 | -178.7 | -60.3 | 0 | 0 | 0 | 0 | 113 | L96 L119 D120 L162 | L96-V100 HydrophobicContact CD1-CG1 3.92Å; L96-V100 WeakPolarHBondContact O-CG2 3.4Å; L96-V100 PolarHBondContact O-N 3.16Å; V100-L119 HydrophobicContact CB-CD2 3.66Å; V100-L119 HydrophobicContact CG1-CD2 3.69Å; V100-L119 HydrophobicContact CG2-CD2 4.47Å; V100-D120 PolarHBondContact O-N 2.79Å; V100-L162 HydrophobicContact CG1-CD1 4.25Å |
| 101 | N | 77.9 | Confident | 73.5 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 27.9 | -177.1 | -65.2 | -43.1 | 0 | 0 | 0 | 112.9 | R97 A99 H103 L104 L105 | R97-N101 VanDerWaalsContact O-CB 3.23Å; R97-N101 WeakPolarHBondContact O-CB 3.45Å; R97-N101 PolarHBondContact O-N 3.37Å; R97-N101 PolarHBondContact O-ND2 3.09Å; A99-N101 VanDerWaalsContact C-N 3.33Å; N101-H103 PolarHBondContact O-N 3.35Å; N101-L104 HydrophobicContact CB-CB 4.15Å; N101-L104 HydrophobicContact CB-CD1 3.77Å; N101-L104 HydrophobicContact CB-CG 3.99Å; N101-L104 WeakPolarHBondContact O-CA 3.39Å; N101-L104 WeakPolarHBondContact O-CB 3.27Å; N101-L104 PolarHBondContact O-N 3.45Å; N101-L105 PolarHBondContact O-N 2.75Å |
| 102 | V | 74 | Confident | 71.7 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -53.6 | -41 | -178 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | F57 A72 F75 D98 A99 L104 L105 F106 D120 | F57-V102 HydrophobicContact CE1-CG2 3.59Å; F57-V102 HydrophobicContact CZ-CG2 3.39Å; A72-V102 WeakPolarHBondContact O-CG1 3.34Å; F75-V102 HydrophobicContact CB-CG1 4.49Å; F75-V102 HydrophobicContact CD1-CB 4.41Å; F75-V102 HydrophobicContact CD1-CG1 4.37Å; F75-V102 HydrophobicContact CD1-CG2 4.05Å; D98-V102 WeakPolarHBondContact O-CG2 3.49Å; D98-V102 PolarHBondContact O-N 3.16Å; A99-V102 VanDerWaalsContact O-CG2 3.29Å; A99-V102 WeakPolarHBondContact O-CG2 3.24Å; V102-L104 VanDerWaalsContact C-N 3.25Å; V102-L104 PolarHBondContact O-N 3.34Å; V102-L105 WeakPolarHBondContact O-CB 3.36Å; V102-L105 PolarHBondContact O-N 2.84Å; V102-L105 VanDerWaalsContact O-N 3.12Å; V102-F106 HydrophobicContact CG1-CE2 4.35Å; V102-F106 WeakPolarHBondContact O-CD2 3.35Å; V102-D120 HydrophobicContact CB-CB 4.27Å; V102-D120 PolarHBondContact N-OD2 3.08Å |
| 103 | H | 68.5 | Low | 69.8 | Low | 70 Ų | 70 | 73.8 Ų | 73.8 | 32% | 0.324 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -59.4 | -33.6 | 175.1 | 66.4 | -78 | 0 | 0 | 0 | 113.3 | N101 L105 V107 D120 | N101-H103 PolarHBondContact O-N 3.35Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.46Å; H103-V107 WeakPolarHBondContact O-CG2 3.28Å; H103-D120 WeakPolarHBondContact CB-OD2 3.47Å; H103-D120 IonicContact CE1-OD2 2.74Å; H103-D120 IonicContact CG-OD2 3.2Å; H103-D120 PolarHBondContact N-OD2 3.02Å; H103-D120 IonicContact ND1-OD2 3.63Å; H103-D120 PolarHBondContact ND1-OD2 2.9Å |
| 104 | L | 64.8 | Low | 67.6 | Low | 39 Ų | 39 | 81.5 Ų | 81.5 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -72.3 | -23.2 | 178.2 | -54.6 | -174.4 | 0 | 0 | 0 | 112.3 | N101 V102 F106 V107 F110 L115 | N101-L104 HydrophobicContact CB-CB 4.15Å; N101-L104 HydrophobicContact CB-CD1 3.77Å; N101-L104 HydrophobicContact CB-CG 3.99Å; N101-L104 WeakPolarHBondContact O-CA 3.39Å; N101-L104 WeakPolarHBondContact O-CB 3.27Å; N101-L104 PolarHBondContact O-N 3.45Å; V102-L104 VanDerWaalsContact C-N 3.25Å; V102-L104 PolarHBondContact O-N 3.34Å; L104-F106 PolarHBondContact O-N 2.87Å; L104-V107 PolarHBondContact O-N 3.37Å; L104-F110 HydrophobicContact CB-CE1 4.28Å; L104-F110 HydrophobicContact CB-CZ 3.77Å; L104-F110 HydrophobicContact CD2-CD1 4.29Å; L104-F110 HydrophobicContact CD2-CE1 3.25Å; L104-F110 HydrophobicContact CD2-CZ 3.67Å; L104-F110 HydrophobicContact CG-CE1 4.25Å; L104-F110 HydrophobicContact CG-CZ 4.2Å; L104-L115 HydrophobicContact CD1-CD1 4.31Å; L104-L115 HydrophobicContact CD2-CD1 3.83Å |
| 105 | L | 62.5 | Low | 65.6 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 44% | 0.44 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -67.2 | -16.4 | -178.6 | -62.4 | 175.5 | 0 | 0 | 0 | 113.3 | A72 N101 V102 H103 | A72-L105 HydrophobicContact CB-CD1 3.56Å; N101-L105 PolarHBondContact O-N 2.75Å; V102-L105 WeakPolarHBondContact O-CB 3.36Å; V102-L105 PolarHBondContact O-N 2.84Å; V102-L105 VanDerWaalsContact O-N 3.12Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.46Å |
| 106 | F | 62.8 | Low | 63.4 | Low | 120 Ų | 120 | 90.1 Ų | 90.1 | 53% | 0.526 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -110.5 | -0.5 | -179.1 | -60.1 | -72.8 | 0 | 0 | 0 | 114.1 | A72 K73 V102 L104 | A72-F106 HydrophobicContact CB-CE2 4.36Å; A72-F106 HydrophobicContact CB-CZ 4.1Å; A72-F106 WeakPolarHBondContact O-CE2 3.28Å; K73-F106 HydrophobicContact CB-CZ 4.21Å; V102-F106 HydrophobicContact CG1-CE2 4.35Å; V102-F106 WeakPolarHBondContact O-CD2 3.35Å; L104-F106 PolarHBondContact O-N 2.87Å |
| 107 | V | 59.4 | Low | 61.5 | Low | 67 Ų | 67 | 93.7 Ų | 93.7 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | trans | -97.6 | 121.9 | -178.6 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | H103 L104 S109 F110 | H103-V107 WeakPolarHBondContact O-CG2 3.28Å; L104-V107 PolarHBondContact O-N 3.37Å; V107-S109 WeakPolarHBondContact CG1-O 3.39Å; V107-F110 HydrophobicContact CB-CE1 4.01Å; V107-F110 HydrophobicContact CB-CZ 3.87Å; V107-F110 HydrophobicContact CG1-CD1 4.25Å; V107-F110 HydrophobicContact CG1-CE1 3.81Å; V107-F110 HydrophobicContact CG1-CZ 3.99Å | ||
| 108 | T | 54.5 | Low | 60 | Low | 145 Ų | 145 | 95.9 Ų | 95.9 | 89% | 0.89 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -90.4 | -9.4 | -178.6 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 109 | S | 52 | Low | 58.7 | Low | 103 Ų | 103 | 95.1 Ų | 95.1 | 72% | 0.72 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -146.3 | 123.8 | 177.9 | -81.1 | 0 | 0 | 0 | 0 | 111.4 | V107 | V107-S109 WeakPolarHBondContact CG1-O 3.39Š|
| 110 | F | 56.8 | Low | 58.1 | Low | 125 Ų | 125 | 96.8 Ų | 96.8 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | trans | -98.8 | 134.8 | 177 | -73.3 | -69.5 | 0 | 0 | 0 | 111.9 | L104 V107 | L104-F110 HydrophobicContact CB-CE1 4.28Å; L104-F110 HydrophobicContact CB-CZ 3.77Å; L104-F110 HydrophobicContact CD2-CD1 4.29Å; L104-F110 HydrophobicContact CD2-CE1 3.25Å; L104-F110 HydrophobicContact CD2-CZ 3.67Å; L104-F110 HydrophobicContact CG-CE1 4.25Å; L104-F110 HydrophobicContact CG-CZ 4.2Å; V107-F110 HydrophobicContact CB-CE1 4.01Å; V107-F110 HydrophobicContact CB-CZ 3.87Å; V107-F110 HydrophobicContact CG1-CD1 4.25Å; V107-F110 HydrophobicContact CG1-CE1 3.81Å; V107-F110 HydrophobicContact CG1-CZ 3.99Å | ||
| 111 | K | 47.7 | Very low | 58.1 | Low | 196 Ų | 196 | 96.1 Ų | 96.1 | 85% | 0.852 | 49% | 0.493 | S | S | * | . | trans | -94.1 | 121.3 | 147.8 | -74.4 | -176.1 | 177.8 | -179.9 | 0 | 106.5 | D113 | K111-D113 PolarHBondContact O-N 3.22Å; K111-D113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | S | 49.2 | Very low | 58.6 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 70% | 0.699 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.9 | -169.3 | 43.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 113 | D | 47.8 | Very low | 59.6 | Low | 147 Ų | 147 | 102.7 Ų | 102.7 | 79% | 0.786 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 5 | -156.7 | -57.8 | -12 | 0 | 0 | 0 | 114.6 | K111 | K111-D113 PolarHBondContact O-N 3.22Å; K111-D113 VanDerWaalsContact O-N 3.12Å |
| 114 | E | 42.2 | Very low | 60.8 | Low | 185 Ų | 185 | 99.3 Ų | 99.3 | 86% | 0.864 | 50% | 0.504 | S | S | * | . | trans | -119.1 | 15.9 | -178.9 | -85.4 | -172.7 | 163.3 | 0 | 0 | 115.1 | Q116 | E114-Q116 VanDerWaalsContact C-N 3.28Å; E114-Q116 PolarHBondContact O-N 2.95Å | ||
| 115 | L | 42.7 | Very low | 62.3 | Low | 100 Ų | 100 | 97.5 Ų | 97.5 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | trans | -80.6 | 70.7 | -179.3 | -156.7 | 74.7 | 0 | 0 | 0 | 111.9 | L104 L117 | L104-L115 HydrophobicContact CD1-CD1 4.31Å; L104-L115 HydrophobicContact CD2-CD1 3.83Å; L115-L117 PolarHBondContact O-N 2.85Å | ||
| 116 | Q | 42.3 | Very low | 63.9 | Low | 180 Ų | 180 | 93.9 Ų | 93.9 | 84% | 0.841 | 48% | 0.476 | S | S | * | . | trans | -63.2 | 122.7 | 151 | -86.1 | -173.8 | 15.3 | 0 | 0 | 107 | E114 K118 | E114-Q116 VanDerWaalsContact C-N 3.28Å; E114-Q116 PolarHBondContact O-N 2.95Å; Q116-K118 PolarHBondContact O-N 2.88Å | ||
| 117 | L | 47.9 | Very low | 65.3 | Low | 79 Ų | 79 | 90.4 Ų | 90.4 | 41% | 0.414 | 46% | 0.463 | S | S | . | . | trans | -63.3 | 73.6 | 178.5 | -164.6 | 81.4 | 0 | 0 | 0 | 110.4 | L115 L119 | L115-L117 PolarHBondContact O-N 2.85Å; L117-L119 HydrophobicContact CD1-CD2 4.43Å; L117-L119 HydrophobicContact CD2-CD2 3.67Å; L117-L119 HydrophobicContact CD2-CG 4.13Å; L117-L119 HydrophobicContact CG-CD2 3.78Å; L117-L119 HydrophobicContact CG-CG 4.18Å; L117-L119 PolarHBondContact O-N 3.33Å | ||
| 118 | K | 53.6 | Low | 67.1 | Low | 174 Ų | 174 | 87.3 Ų | 87.3 | 76% | 0.757 | 44% | 0.444 | S | S | * | . | trans | -76.7 | 88.4 | 168.9 | -164.9 | 176.5 | -175.9 | -179.3 | 0 | 105.6 | Q116 D120 | Q116-K118 PolarHBondContact O-N 2.88Å; K118-D120 PolarHBondContact O-N 2.92Å | ||
| 119 | L | 58.2 | Low | 69 | Low | 28 Ų | 28 | 80.6 Ų | 80.6 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | trans | -55.3 | 112.6 | 177.7 | -65.6 | 171.2 | 0 | 0 | 0 | 108.3 | V100 L117 V121 K161 L162 | V100-L119 HydrophobicContact CB-CD2 3.66Å; V100-L119 HydrophobicContact CG1-CD2 3.69Å; V100-L119 HydrophobicContact CG2-CD2 4.47Å; L117-L119 HydrophobicContact CD1-CD2 4.43Å; L117-L119 HydrophobicContact CD2-CD2 3.67Å; L117-L119 HydrophobicContact CD2-CG 4.13Å; L117-L119 HydrophobicContact CG-CD2 3.78Å; L117-L119 HydrophobicContact CG-CG 4.18Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-V121 WeakPolarHBondContact CB-O 3.37Å; L119-V121 PolarHBondContact O-N 3.22Å; L119-K161 HydrophobicContact CD1-CB 4Å; L119-L162 HydrophobicContact CD1-CD2 3.9Å; L119-L162 HydrophobicContact CD1-CG 4.43Å | ||
| 120 | D | 72.9 | Confident | 71.2 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 19% | 0.187 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -61 | -33.1 | 177.1 | -86.4 | -47.1 | 0 | 0 | 0 | 111.2 | F75 K80 V100 V102 H103 K118 | F75-D120 HydrophobicContact CE1-CB 4.08Å; F75-D120 VanDerWaalsContact CE1-O 3.27Å; F75-D120 WeakPolarHBondContact CE1-O 3.49Å; K80-D120 PolarHBondContact NZ-O 3.46Å; K80-D120 IonicContact NZ-OD1 2.71Å; K80-D120 PolarHBondContact NZ-OD1 3.3Å; K80-D120 VanDerWaalsContact NZ-OD1 3.15Å; V100-D120 PolarHBondContact O-N 2.79Å; V102-D120 HydrophobicContact CB-CB 4.27Å; V102-D120 PolarHBondContact N-OD2 3.08Å; H103-D120 WeakPolarHBondContact CB-OD2 3.47Å; H103-D120 IonicContact CE1-OD2 2.74Å; H103-D120 IonicContact CG-OD2 3.2Å; H103-D120 PolarHBondContact N-OD2 3.02Å; H103-D120 IonicContact ND1-OD2 3.63Å; H103-D120 PolarHBondContact ND1-OD2 2.9Å; K118-D120 PolarHBondContact O-N 2.92Å |
| 121 | V | 83.2 | Confident | 73.1 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | trans | -110.2 | 128.5 | -179.5 | 172 | 0 | 0 | 0 | 0 | 109 | F75 V88 A99 L119 E123 I124 L162 | F75-V121 HydrophobicContact CD1-CG2 4.05Å; F75-V121 HydrophobicContact CE1-CB 4.44Å; F75-V121 HydrophobicContact CE1-CG2 3.35Å; F75-V121 HydrophobicContact CE2-CG2 4.13Å; F75-V121 HydrophobicContact CZ-CB 4.32Å; F75-V121 HydrophobicContact CZ-CG2 3.4Å; F75-V121 VanDerWaalsContact CZ-CG2 3.4Å; V88-V121 HydrophobicContact CG2-CB 4.34Å; V88-V121 HydrophobicContact CG2-CG1 3.57Å; V88-V121 HydrophobicContact CG2-CG2 3.78Å; A99-V121 HydrophobicContact CB-CG2 4.16Å; A99-V121 WeakPolarHBondContact O-CG2 3.29Å; L119-V121 WeakPolarHBondContact CB-O 3.37Å; L119-V121 PolarHBondContact O-N 3.22Å; V121-E123 WeakPolarHBondContact CG1-O 3.46Å; V121-I124 HydrophobicContact CG1-CG2 3.67Å; V121-L162 WeakPolarHBondContact O-CD2 3.47Å | ||
| 122 | K | 88.5 | Confident | 75.4 | Confident | 167 Ų | 167 | 64.4 Ų | 64.4 | 73% | 0.726 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -102.5 | -18.1 | 176.2 | -62.5 | -179.9 | -179.3 | 177.4 | 0 | 113.4 | S163 | K122-S163 PolarHBondContact O-N 3.06Å; K122-S163 VanDerWaalsContact O-N 3.08Å |
| 123 | E | 94 | Very high | 77.5 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.7 | -174.8 | -172.6 | 175.2 | 172.1 | 0 | 0 | 109.3 | R85 P87 V88 V121 S163 | R85-E123 WeakPolarHBondContact CD-OE2 3.33Å; R85-E123 IonicContact CZ-OE2 3.15Å; R85-E123 IonicContact NE-OE2 2.64Å; R85-E123 IonicContact NH1-OE1 2.7Å; R85-E123 PolarHBondContact NH1-OE1 3.28Å; R85-E123 IonicContact NH1-OE2 3.27Å; R85-E123 PolarHBondContact NH1-OE2 3.36Å; P87-E123 WeakPolarHBondContact CA-O 3.4Å; P87-E123 HydrophobicContact CB-CB 4.36Å; P87-E123 HydrophobicContact CB-CG 3.9Å; V88-E123 PolarHBondContact N-O 3.3Å; V121-E123 WeakPolarHBondContact CG1-O 3.46Å; E123-S163 WeakPolarHBondContact CA-O 3.36Å |
| 124 | I | 95.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.7 | 177.3 | 60 | 168.8 | 0 | 0 | 0 | 110 | V88 V90 L96 V121 I153 L162 S163 I164 R165 | V88-I124 HydrophobicContact CG2-CG2 4.42Å; V88-I124 CarbonylContact O-C 3.53Å; V88-I124 WeakPolarHBondContact O-CA 3.32Å; V90-I124 HydrophobicContact CG1-CB 4.33Å; V90-I124 HydrophobicContact CG1-CG2 3.99Å; V90-I124 HydrophobicContact CG2-CB 3.8Å; V90-I124 HydrophobicContact CG2-CD1 3.63Å; V90-I124 HydrophobicContact CG2-CG1 4.22Å; V90-I124 HydrophobicContact CG2-CG2 4.18Å; L96-I124 HydrophobicContact CD1-CD1 4.08Å; L96-I124 HydrophobicContact CD1-CG2 4.32Å; V121-I124 HydrophobicContact CG1-CG2 3.67Å; I124-I153 HydrophobicContact CD1-CG2 3.85Å; I124-L162 HydrophobicContact CD1-CD1 4.27Å; I124-L162 HydrophobicContact CG2-CD1 4.37Å; I124-S163 PolarHBondContact N-O 3.07Å; I124-I164 HydrophobicContact CD1-CD1 3.78Å; I124-I164 HydrophobicContact CD1-CG1 3.75Å; I124-I164 HydrophobicContact CG1-CB 4.32Å; I124-I164 HydrophobicContact CG1-CD1 4.29Å; I124-I164 HydrophobicContact CG1-CG1 3.69Å; I124-I164 HydrophobicContact CG1-CG2 4.4Å; I124-I164 WeakPolarHBondContact O-CA 3.42Å; I124-R165 PolarHBondContact O-N 3.34Å |
| 125 | A | 96 | Very high | 82 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V88 L89 V90 R165 Y167 | V88-A125 PolarHBondContact O-N 3.47Å; L89-A125 WeakPolarHBondContact CA-O 3.38Å; L89-A125 HydrophobicContact CB-CB 4.48Å; L89-A125 HydrophobicContact CD1-CB 3.98Å; L89-A125 WeakPolarHBondContact CD1-O 3.27Å; V90-A125 PolarHBondContact N-O 3.25Å; A125-R165 CarbonylContact C-O 3.54Å; A125-R165 VanDerWaalsContact CA-O 3.22Å; A125-R165 WeakPolarHBondContact CA-O 3.48Å; A125-Y167 HydrophobicContact CB-CD2 4.16Å; A125-Y167 HydrophobicContact CB-CE2 3.72Å |
| 126 | V | 94.8 | Very high | 84.4 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.3 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | V90 L150 I153 I164 R165 A166 Y167 | V90-V126 HydrophobicContact CG2-CG1 4.14Å; V126-L150 HydrophobicContact CB-CD1 4.39Å; V126-L150 HydrophobicContact CG1-CD1 4.05Å; V126-L150 HydrophobicContact CG2-CD1 3.92Å; V126-L150 HydrophobicContact CG2-CD2 4.39Å; V126-I153 HydrophobicContact CG1-CD1 4.03Å; V126-I164 HydrophobicContact CG1-CG2 4.2Å; V126-I164 HydrophobicContact CG2-CG2 3.86Å; V126-R165 PolarHBondContact N-O 2.85Å; V126-A166 HydrophobicContact CG2-CB 3.81Å; V126-Y167 PolarHBondContact O-N 3Å |
| 127 | L | 93.5 | Very high | 86.5 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.7 | 179 | -59.6 | 179.6 | 0 | 0 | 0 | 110.8 | L89 Y167 | L89-L127 HydrophobicContact CD1-CD1 4.29Å; L89-L127 HydrophobicContact CD1-CD2 3.91Å; L89-L127 HydrophobicContact CD1-CG 3.66Å; L89-L127 HydrophobicContact CD2-CD1 3.96Å; L89-L127 HydrophobicContact CD2-CG 4.25Å; L127-Y167 HydrophobicContact CD2-CD2 3.9Å; L127-Y167 HydrophobicContact CD2-CG 4.04Å |
| 128 | V | 95.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.2 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | F147 Y167 V168 S169 I188 L192 | V128-F147 HydrophobicContact CG1-CE2 4.17Å; V128-F147 HydrophobicContact CG1-CZ 4.38Å; V128-Y167 PolarHBondContact N-O 3.29Å; V128-V168 CarbonylContact O-C 3.59Å; V128-V168 VanDerWaalsContact O-CA 3.29Å; V128-V168 WeakPolarHBondContact O-CA 3.47Å; V128-S169 PolarHBondContact O-N 3.03Å; V128-I188 HydrophobicContact CG1-CG2 3.97Å; V128-L192 HydrophobicContact CG2-CD2 4.16Å |
| 129 | A | 96.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 152.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T131 F134 I143 | A129-T131 PolarHBondContact O-N 3.37Å; A129-F134 HydrophobicContact CB-CB 4.37Å; A129-F134 HydrophobicContact CB-CD1 3.7Å; A129-F134 HydrophobicContact CB-CG 4.48Å; A129-I143 WeakPolarHBondContact O-CG1 3.29Å |
| 130 | A | 97.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74.7 | -9.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V168 S169 C170 V180 Q184 V185 I188 | A130-V168 HydrophobicContact CB-CG1 4.28Å; A130-S169 WeakPolarHBondContact CB-O 3.35Å; A130-S169 PolarHBondContact N-O 2.86Å; A130-C170 HydrophobicContact CB-CB 4.39Å; A130-C170 WeakPolarHBondContact CB-O 3.18Å; A130-V180 HydrophobicContact CB-CG1 3.76Å; A130-Q184 VanDerWaalsContact O-CG 3.3Å; A130-Q184 WeakPolarHBondContact O-CG 3.34Å; A130-V185 HydrophobicContact CB-CG2 4.16Å; A130-I188 HydrophobicContact CB-CD1 4.35Å |
| 131 | T | 96.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.08 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -140.2 | 139.2 | -177.3 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | A129 A133 F134 S135 C174 D177 V180 | A129-T131 PolarHBondContact O-N 3.37Å; T131-A133 PolarHBondContact O-N 3.13Å; T131-F134 PolarHBondContact O-N 2.92Å; T131-F134 VanDerWaalsContact OG1-CB 3.22Å; T131-F134 WeakPolarHBondContact OG1-CB 3.07Å; T131-S135 PolarHBondContact O-N 3.24Å; T131-S135 VanDerWaalsContact O-N 3.07Å; T131-C174 HydrophobicContact CG2-CB 3.74Å; T131-C174 PolarHBondContact OG1-SG 3.45Å; T131-D177 VanDerWaalsContact CB-OD2 3.29Å; T131-D177 WeakPolarHBondContact CB-OD2 3.46Å; T131-D177 HydrophobicContact CG2-CB 4.3Å; T131-V180 HydrophobicContact CG2-CG2 3.57Å |
| 132 | D | 95.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 178 | -71.7 | -38.7 | 0 | 0 | 0 | 112.8 | F134 S135 K136 D142 I143 | D132-F134 VanDerWaalsContact C-N 3.29Å; D132-F134 PolarHBondContact O-N 3.37Å; D132-S135 PolarHBondContact O-N 3.25Å; D132-K136 WeakPolarHBondContact O-CB 3.01Å; D132-K136 WeakPolarHBondContact O-CG 3.26Å; D132-K136 PolarHBondContact O-N 3.4Å; D132-D142 WeakPolarHBondContact OD1-CB 3.26Å; D132-I143 WeakPolarHBondContact OD1-CB 3.38Å; D132-I143 VanDerWaalsContact OD1-CG1 3.23Å; D132-I143 WeakPolarHBondContact OD1-CG1 3.32Å; D132-I143 PolarHBondContact OD1-N 2.94Å |
| 133 | A | 94.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T131 K137 Y176 D177 | T131-A133 PolarHBondContact O-N 3.13Å; A133-K137 WeakPolarHBondContact O-CG 3.44Å; A133-K137 PolarHBondContact O-N 2.91Å; A133-Y176 HydrophobicContact CB-CD2 4.32Å; A133-Y176 HydrophobicContact CB-CG 4.37Å; A133-D177 WeakPolarHBondContact CB-OD1 3.27Å; A133-D177 WeakPolarHBondContact CB-OD2 3.23Å |
| 134 | F | 93.2 | Very high | 92.6 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.9 | -47.5 | 174 | -172 | -88.1 | 0 | 0 | 0 | 112 | A129 T131 D132 K136 K137 N138 C170 P175 Y176 T205 F268 | A129-F134 HydrophobicContact CB-CB 4.37Å; A129-F134 HydrophobicContact CB-CD1 3.7Å; A129-F134 HydrophobicContact CB-CG 4.48Å; T131-F134 PolarHBondContact O-N 2.92Å; T131-F134 VanDerWaalsContact OG1-CB 3.22Å; T131-F134 WeakPolarHBondContact OG1-CB 3.07Å; D132-F134 VanDerWaalsContact C-N 3.29Å; D132-F134 PolarHBondContact O-N 3.37Å; F134-K136 PolarHBondContact O-N 2.83Å; F134-K137 PolarHBondContact O-N 3.03Å; F134-N138 HydrophobicContact CD1-CB 4.2Å; F134-N138 HydrophobicContact CE1-CB 3.91Å; F134-N138 HydrophobicContact CZ-CB 4.41Å; F134-N138 WeakPolarHBondContact O-CB 3.11Å; F134-N138 PolarHBondContact O-N 2.79Å; F134-C170 WeakPolarHBondContact CD2-SG 3.49Å; F134-C170 WeakPolarHBondContact CG-SG 3.36Å; F134-P175 HydrophobicContact CD2-CG 3.92Å; F134-P175 HydrophobicContact CE2-CG 4.23Å; F134-Y176 HydrophobicContact CB-CD2 4.13Å; F134-Y176 HydrophobicContact CB-CE2 4.3Å; F134-Y176 HydrophobicContact CD2-CD2 4.27Å; F134-Y176 AromaticContact CD2-CE2 3.84Å; F134-Y176 HydrophobicContact CD2-CE2 3.84Å; F134-Y176 HydrophobicContact CG-CE2 4.43Å; F134-T205 HydrophobicContact CE2-CG2 4.05Å; F134-T205 HydrophobicContact CZ-CG2 3.71Å; F134-F268 HydrophobicContact CD2-CZ 4.29Å; F134-F268 HydrophobicContact CE2-CE1 4.46Å; F134-F268 AromaticContact CE2-CE2 3.56Å; F134-F268 HydrophobicContact CE2-CE2 3.56Å; F134-F268 AromaticContact CE2-CZ 3.45Å; F134-F268 HydrophobicContact CE2-CZ 3.45Å; F134-F268 VanDerWaalsContact CE2-CZ 3.45Å; F134-F268 HydrophobicContact CZ-CE2 4.16Å; F134-F268 HydrophobicContact CZ-CZ 4.1Å |
| 135 | S | 91.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -48 | -179.5 | -166 | 0 | 0 | 0 | 0 | 111.7 | T131 D132 K137 N138 I139 N140 C141 S146 | T131-S135 PolarHBondContact O-N 3.24Å; T131-S135 VanDerWaalsContact O-N 3.07Å; D132-S135 PolarHBondContact O-N 3.25Å; S135-K137 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 2.86Å; S135-N138 PolarHBondContact O-N 3.28Å; S135-I139 WeakPolarHBondContact O-CG1 3.42Å; S135-I139 PolarHBondContact O-N 3.01Å; S135-N140 PolarHBondContact O-N 2.91Å; S135-C141 CarbonylContact C-O 3.51Å; S135-C141 WeakPolarHBondContact CB-O 3.29Å; S135-C141 PolarHBondContact OG-O 3.28Å; S135-S146 PolarHBondContact OG-OG 2.86Å |
| 136 | K | 91.7 | Very high | 92.4 | Very high | 111 Ų | 111 | 44.8 Ų | 44.8 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 179.4 | -72.6 | 177 | -178.3 | 176.9 | 0 | 111.9 | D132 F134 N140 C141 | D132-K136 WeakPolarHBondContact O-CB 3.01Å; D132-K136 WeakPolarHBondContact O-CG 3.26Å; D132-K136 PolarHBondContact O-N 3.4Å; F134-K136 PolarHBondContact O-N 2.83Å; K136-N140 WeakPolarHBondContact O-CA 3.29Å; K136-N140 PolarHBondContact O-N 2.9Å; K136-N140 VanDerWaalsContact O-N 3.15Å; K136-C141 WeakPolarHBondContact CA-O 3.37Å; K136-C141 PolarHBondContact N-O 2.88Å; K136-C141 VanDerWaalsContact N-O 3.09Å |
| 137 | K | 87.1 | Confident | 92.5 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 60% | 0.6 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -74.4 | -30.8 | 178.5 | -73.9 | -178.1 | 175.5 | -176.6 | 0 | 113.7 | A133 F134 S135 Y176 | A133-K137 WeakPolarHBondContact O-CG 3.44Å; A133-K137 PolarHBondContact O-N 2.91Å; F134-K137 PolarHBondContact O-N 3.03Å; S135-K137 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 2.86Å; K137-Y176 HydrophobicContact CB-CE2 4.06Å; K137-Y176 HydrophobicContact CD-CD1 3.92Å; K137-Y176 HydrophobicContact CD-CD2 4Å; K137-Y176 HydrophobicContact CD-CE1 3.42Å; K137-Y176 VanDerWaalsContact CD-CE1 3.42Å; K137-Y176 HydrophobicContact CD-CE2 3.52Å; K137-Y176 HydrophobicContact CD-CG 4.16Å; K137-Y176 WeakPolarHBondContact CD-OH 3.43Å; K137-Y176 HydrophobicContact CG-CE2 4.35Å |
| 138 | N | 84 | Confident | 92.6 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -90.4 | -41.7 | -175.3 | -166.4 | 55.1 | 0 | 0 | 0 | 113.4 | F134 S135 | F134-N138 HydrophobicContact CD1-CB 4.2Å; F134-N138 HydrophobicContact CE1-CB 3.91Å; F134-N138 HydrophobicContact CZ-CB 4.41Å; F134-N138 WeakPolarHBondContact O-CB 3.11Å; F134-N138 PolarHBondContact O-N 2.79Å; S135-N138 PolarHBondContact O-N 3.28Å |
| 139 | I | 80.9 | Confident | 92.4 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 26% | 0.256 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -130.4 | 9.8 | -172.9 | 57.3 | 169.9 | 0 | 0 | 0 | 114 | S135 C141 | S135-I139 WeakPolarHBondContact O-CG1 3.42Å; S135-I139 PolarHBondContact O-N 3.01Å; I139-C141 VanDerWaalsContact C-N 3.27Å; I139-C141 WeakPolarHBondContact CD1-SG 3.49Å; I139-C141 VanDerWaalsContact CG1-SG 3.58Å; I139-C141 PolarHBondContact O-N 2.81Å |
| 140 | N | 86.6 | Confident | 92.3 | Very high | 139 Ų | 139 | 49.1 Ų | 49.1 | 74% | 0.743 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 50.9 | 44.5 | 178 | -164.1 | 58.5 | 0 | 0 | 0 | 113.1 | S135 K136 | S135-N140 PolarHBondContact O-N 2.91Å; K136-N140 WeakPolarHBondContact O-CA 3.29Å; K136-N140 PolarHBondContact O-N 2.9Å; K136-N140 VanDerWaalsContact O-N 3.15Å |
| 141 | C | 88.5 | Confident | 92.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -153.8 | 160.4 | 169.8 | 65.9 | 0 | 0 | 0 | 0 | 111 | S135 K136 I139 E145 S146 R149 | S135-C141 CarbonylContact C-O 3.51Å; S135-C141 WeakPolarHBondContact CB-O 3.29Å; S135-C141 PolarHBondContact OG-O 3.28Å; K136-C141 WeakPolarHBondContact CA-O 3.37Å; K136-C141 PolarHBondContact N-O 2.88Å; K136-C141 VanDerWaalsContact N-O 3.09Å; I139-C141 VanDerWaalsContact C-N 3.27Å; I139-C141 WeakPolarHBondContact CD1-SG 3.49Å; I139-C141 VanDerWaalsContact CG1-SG 3.58Å; I139-C141 PolarHBondContact O-N 2.81Å; C141-E145 WeakPolarHBondContact CA-OE2 3.42Å; C141-E145 HydrophobicContact CB-CB 3.68Å; C141-E145 HydrophobicContact CB-CG 4.48Å; C141-E145 WeakPolarHBondContact CB-OE2 3.39Å; C141-S146 PolarHBondContact SG-OG 2.91Å; C141-R149 VanDerWaalsContact SG-CZ 3.57Å; C141-R149 PolarHBondContact SG-NH1 3.25Å |
| 142 | D | 93.5 | Very high | 92 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | trans | -83.3 | -179 | 172.2 | 70.3 | 29.8 | 0 | 0 | 0 | 112.6 | D132 E144 E145 S146 | D132-D142 WeakPolarHBondContact OD1-CB 3.26Å; D142-E144 PolarHBondContact OD1-N 2.82Å; D142-E145 PolarHBondContact N-OE2 2.79Å; D142-E145 WeakPolarHBondContact OD1-CB 3.47Å; D142-E145 WeakPolarHBondContact OD1-CG 3.11Å; D142-E145 PolarHBondContact OD1-N 3.46Å; D142-S146 PolarHBondContact O-N 2.98Å; D142-S146 PolarHBondContact O-OG 3Å | ||
| 143 | I | 95.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | -179.7 | -67.7 | 168.4 | 0 | 0 | 0 | 111.2 | A129 D132 S146 F147 I188 | A129-I143 WeakPolarHBondContact O-CG1 3.29Å; D132-I143 WeakPolarHBondContact OD1-CB 3.38Å; D132-I143 VanDerWaalsContact OD1-CG1 3.23Å; D132-I143 WeakPolarHBondContact OD1-CG1 3.32Å; D132-I143 PolarHBondContact OD1-N 2.94Å; I143-S146 WeakPolarHBondContact O-CB 3.47Å; I143-S146 PolarHBondContact O-N 2.59Å; I143-F147 HydrophobicContact CG2-CD2 3.81Å; I143-F147 HydrophobicContact CG2-CE2 3.69Å; I143-F147 VanDerWaalsContact O-CD2 3.28Å; I143-F147 WeakPolarHBondContact O-CD2 3.37Å; I143-F147 PolarHBondContact O-N 3.19Å; I143-I188 HydrophobicContact CD1-CD1 4.34Å; I143-I188 HydrophobicContact CG2-CG1 4.49Å |
| 144 | E | 96.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | -179.4 | -69.1 | -52.6 | 136.7 | 0 | 0 | 111.7 | D142 S146 F147 N148 R191 | D142-E144 PolarHBondContact OD1-N 2.82Å; E144-S146 PolarHBondContact O-N 3.29Å; E144-F147 PolarHBondContact O-N 2.7Å; E144-F147 VanDerWaalsContact O-N 3.16Å; E144-N148 VanDerWaalsContact O-CG 3.28Å; E144-N148 PolarHBondContact O-N 3.08Å; E144-N148 PolarHBondContact O-ND2 3.23Å; E144-R191 IonicContact OE1-CZ 3.51Å; E144-R191 IonicContact OE1-NH1 2.72Å; E144-R191 PolarHBondContact OE1-NH1 3.38Å; E144-R191 IonicContact OE1-NH2 2.56Å; E144-R191 IonicContact OE2-CZ 2.97Å; E144-R191 VanDerWaalsContact OE2-CZ 3.31Å; E144-R191 IonicContact OE2-NH1 3.53Å; E144-R191 PolarHBondContact OE2-NH1 2.86Å; E144-R191 IonicContact OE2-NH2 3.91Å; E144-R191 PolarHBondContact OE2-NH2 3.08Å |
| 145 | E | 94.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 61.5 Ų | 61.5 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 173.1 | -71.2 | 177.4 | 142 | 0 | 0 | 112 | C141 D142 N148 R149 | C141-E145 WeakPolarHBondContact CA-OE2 3.42Å; C141-E145 HydrophobicContact CB-CB 3.68Å; C141-E145 HydrophobicContact CB-CG 4.48Å; C141-E145 WeakPolarHBondContact CB-OE2 3.39Å; D142-E145 PolarHBondContact N-OE2 2.79Å; D142-E145 WeakPolarHBondContact OD1-CB 3.47Å; D142-E145 WeakPolarHBondContact OD1-CG 3.11Å; D142-E145 PolarHBondContact OD1-N 3.46Å; E145-N148 PolarHBondContact O-N 3Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 3.24Å |
| 146 | S | 93.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -43 | 174 | -56 | 0 | 0 | 0 | 0 | 111.5 | S135 C141 D142 I143 E144 R149 L150 | S135-S146 PolarHBondContact OG-OG 2.86Å; C141-S146 PolarHBondContact SG-OG 2.91Å; D142-S146 PolarHBondContact O-N 2.98Å; D142-S146 PolarHBondContact O-OG 3Å; I143-S146 WeakPolarHBondContact O-CB 3.47Å; I143-S146 PolarHBondContact O-N 2.59Å; E144-S146 PolarHBondContact O-N 3.29Å; S146-R149 PolarHBondContact O-N 3.14Å; S146-L150 PolarHBondContact O-N 3.12Å; S146-L150 VanDerWaalsContact O-N 3.08Å |
| 147 | F | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 173.7 | -82.5 | -69.8 | 0 | 0 | 0 | 112.5 | V128 I143 E144 R149 L150 E151 I188 R191 L192 L195 | V128-F147 HydrophobicContact CG1-CE2 4.17Å; V128-F147 HydrophobicContact CG1-CZ 4.38Å; I143-F147 HydrophobicContact CG2-CD2 3.81Å; I143-F147 HydrophobicContact CG2-CE2 3.69Å; I143-F147 VanDerWaalsContact O-CD2 3.28Å; I143-F147 WeakPolarHBondContact O-CD2 3.37Å; I143-F147 PolarHBondContact O-N 3.19Å; E144-F147 PolarHBondContact O-N 2.7Å; E144-F147 VanDerWaalsContact O-N 3.16Å; F147-R149 VanDerWaalsContact C-N 3.28Å; F147-R149 PolarHBondContact O-N 3.37Å; F147-L150 WeakPolarHBondContact O-CB 3.41Å; F147-L150 PolarHBondContact O-N 2.93Å; F147-L150 VanDerWaalsContact O-N 3.09Å; F147-E151 WeakPolarHBondContact O-CG 3.22Å; F147-E151 PolarHBondContact O-N 3.43Å; F147-I188 HydrophobicContact CE2-CG1 4.33Å; F147-I188 HydrophobicContact CE2-CG2 4.44Å; F147-I188 HydrophobicContact CZ-CB 4.39Å; F147-I188 HydrophobicContact CZ-CG2 3.99Å; F147-R191 VanDerWaalsContact CB-NH2 3.29Å; F147-R191 HydrophobicContact CD1-CB 4.2Å; F147-R191 HydrophobicContact CE1-CB 3.43Å; F147-R191 VanDerWaalsContact CE1-CB 3.43Å; F147-R191 HydrophobicContact CE2-CB 4.42Å; F147-R191 VanDerWaalsContact CG-CZ 3.44Å; F147-R191 HydrophobicContact CZ-CB 3.57Å; F147-R191 HydrophobicContact CZ-CG 4.44Å; F147-L192 HydrophobicContact CE1-CD2 3.85Å; F147-L192 HydrophobicContact CE1-CG 4.02Å; F147-L192 HydrophobicContact CZ-CD2 4.44Å; F147-L192 HydrophobicContact CZ-CG 4.28Å; F147-L195 HydrophobicContact CD1-CD1 3.69Å; F147-L195 HydrophobicContact CE1-CD1 4.16Å |
| 148 | N | 95.2 | Very high | 90.7 | Very high | 77 Ų | 77 | 60.5 Ų | 60.5 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 174.3 | -70.8 | -27.6 | 0 | 0 | 0 | 111.6 | E144 E145 E151 Q152 | E144-N148 VanDerWaalsContact O-CG 3.28Å; E144-N148 PolarHBondContact O-N 3.08Å; E144-N148 PolarHBondContact O-ND2 3.23Å; E145-N148 PolarHBondContact O-N 3Å; N148-E151 PolarHBondContact O-N 3.49Å; N148-Q152 VanDerWaalsContact O-CG 3.26Å; N148-Q152 WeakPolarHBondContact O-CG 3.44Å; N148-Q152 PolarHBondContact O-N 2.9Å |
| 149 | R | 92.2 | Very high | 90.7 | Very high | 71 Ų | 71 | 56.6 Ų | 56.6 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.5 | -71.6 | 173.5 | -174.6 | 175.2 | 7.2 | 112 | C141 E145 S146 F147 Q152 I153 | C141-R149 VanDerWaalsContact SG-CZ 3.57Å; C141-R149 PolarHBondContact SG-NH1 3.25Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 3.24Å; S146-R149 PolarHBondContact O-N 3.14Å; F147-R149 VanDerWaalsContact C-N 3.28Å; F147-R149 PolarHBondContact O-N 3.37Å; R149-Q152 WeakPolarHBondContact O-CB 3.29Å; R149-Q152 PolarHBondContact O-N 2.76Å; R149-I153 WeakPolarHBondContact O-CG1 3.3Å; R149-I153 PolarHBondContact O-N 3.36Å |
| 150 | L | 93.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 177.4 | -179.1 | 55.5 | 0 | 0 | 0 | 111.9 | V126 S146 F147 Q152 I153 R154 I164 L192 L195 | V126-L150 HydrophobicContact CB-CD1 4.39Å; V126-L150 HydrophobicContact CG1-CD1 4.05Å; V126-L150 HydrophobicContact CG2-CD1 3.92Å; V126-L150 HydrophobicContact CG2-CD2 4.39Å; S146-L150 PolarHBondContact O-N 3.12Å; S146-L150 VanDerWaalsContact O-N 3.08Å; F147-L150 WeakPolarHBondContact O-CB 3.41Å; F147-L150 PolarHBondContact O-N 2.93Å; F147-L150 VanDerWaalsContact O-N 3.09Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.1Å; L150-I153 HydrophobicContact CD1-CG2 4.48Å; L150-I153 WeakPolarHBondContact O-CB 3.2Å; L150-I153 PolarHBondContact O-N 3.49Å; L150-R154 PolarHBondContact O-N 3.35Å; L150-I164 HydrophobicContact CD1-CD1 4.42Å; L150-I164 HydrophobicContact CD1-CG2 4.35Å; L150-L192 HydrophobicContact CD2-CD2 3.5Å; L150-L192 VanDerWaalsContact CD2-CD2 3.5Å; L150-L195 HydrophobicContact CB-CD1 4.47Å; L150-L195 HydrophobicContact CD2-CD1 3.7Å; L150-L195 HydrophobicContact CG-CD1 3.99Å |
| 151 | E | 95.1 | Very high | 91 | Very high | 61 Ų | 61 | 61.9 Ų | 61.9 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 173 | -75.5 | -179.2 | -161.5 | 0 | 0 | 111.9 | F147 N148 R154 K155 L195 | F147-E151 WeakPolarHBondContact O-CG 3.22Å; F147-E151 PolarHBondContact O-N 3.43Å; N148-E151 PolarHBondContact O-N 3.49Å; E151-R154 PolarHBondContact O-N 3.29Å; E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 VanDerWaalsContact O-CG 3.27Å; E151-K155 WeakPolarHBondContact O-CG 3.22Å; E151-K155 PolarHBondContact O-N 2.87Å; E151-K155 IonicContact OE2-NZ 2.91Å; E151-L195 HydrophobicContact CG-CD1 4.34Å; E151-L195 HydrophobicContact CG-CD2 3.66Å |
| 152 | Q | 93.5 | Very high | 91.1 | Very high | 106 Ų | 106 | 62.2 Ų | 62.2 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 174.5 | -71.2 | 172.2 | -10.5 | 0 | 0 | 112.2 | V93 N148 R149 L150 K155 T156 | V93-Q152 HydrophobicContact CG2-CB 3.62Å; N148-Q152 VanDerWaalsContact O-CG 3.26Å; N148-Q152 WeakPolarHBondContact O-CG 3.44Å; N148-Q152 PolarHBondContact O-N 2.9Å; R149-Q152 WeakPolarHBondContact O-CB 3.29Å; R149-Q152 PolarHBondContact O-N 2.76Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.1Å; Q152-K155 PolarHBondContact O-N 3.22Å; Q152-T156 PolarHBondContact O-N 2.88Å; Q152-T156 PolarHBondContact O-OG1 2.77Å |
| 153 | I | 91.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.3 | -49 | 172.2 | -76.4 | 169 | 0 | 0 | 0 | 109.9 | V90 V93 L96 I124 V126 R149 L150 K155 T156 S159 I164 | V90-I153 HydrophobicContact CG2-CD1 4.25Å; V93-I153 HydrophobicContact CG2-CG1 4.3Å; L96-I153 HydrophobicContact CD2-CG2 4.13Å; I124-I153 HydrophobicContact CD1-CG2 3.85Å; V126-I153 HydrophobicContact CG1-CD1 4.03Å; R149-I153 WeakPolarHBondContact O-CG1 3.3Å; R149-I153 PolarHBondContact O-N 3.36Å; L150-I153 HydrophobicContact CD1-CG2 4.48Å; L150-I153 WeakPolarHBondContact O-CB 3.2Å; L150-I153 PolarHBondContact O-N 3.49Å; I153-K155 VanDerWaalsContact C-N 3.29Å; I153-K155 PolarHBondContact O-N 3.36Å; I153-T156 VanDerWaalsContact O-CB 3.3Å; I153-T156 WeakPolarHBondContact O-CB 3.17Å; I153-T156 PolarHBondContact O-N 3.41Å; I153-T156 VanDerWaalsContact O-N 3.09Å; I153-T156 PolarHBondContact O-OG1 3.32Å; I153-S159 VanDerWaalsContact O-CB 3.29Å; I153-S159 WeakPolarHBondContact O-CB 3.42Å; I153-S159 PolarHBondContact O-OG 3.49Å; I153-I164 HydrophobicContact CG2-CD1 3.99Å |
| 154 | R | 90.5 | Very high | 91.2 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.1 | -23.4 | 178.1 | -82.2 | -67.4 | -171 | -149.2 | -2 | 114.4 | L150 E151 T156 S159 L162 I164 L195 G196 | L150-R154 PolarHBondContact O-N 3.35Å; E151-R154 PolarHBondContact O-N 3.29Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-S159 WeakPolarHBondContact CA-OG 3.3Å; R154-S159 PolarHBondContact NH1-O 3.43Å; R154-S159 PolarHBondContact O-OG 3.42Å; R154-L162 PolarHBondContact NH1-O 2.84Å; R154-I164 HydrophobicContact CG-CD1 4.16Å; R154-I164 VanDerWaalsContact CZ-CG1 3.42Å; R154-I164 VanDerWaalsContact NE-CD1 3.34Å; R154-I164 VanDerWaalsContact NH2-CG1 3.27Å; R154-L195 PolarHBondContact NE-O 3.34Å; R154-G196 PolarHBondContact NH2-O 3.31Å |
| 155 | K | 91.1 | Very high | 91.3 | Very high | 162 Ų | 162 | 57.1 Ų | 57.1 | 70% | 0.704 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.3 | 173.1 | -72.7 | 168.1 | -177 | 166.5 | 0 | 113.3 | E151 Q152 I153 | E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 VanDerWaalsContact O-CG 3.27Å; E151-K155 WeakPolarHBondContact O-CG 3.22Å; E151-K155 PolarHBondContact O-N 2.87Å; E151-K155 IonicContact OE2-NZ 2.91Å; Q152-K155 PolarHBondContact O-N 3.22Å; I153-K155 VanDerWaalsContact C-N 3.29Å; I153-K155 PolarHBondContact O-N 3.36Å |
| 156 | T | 88 | Confident | 91.4 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -76.1 | 135.2 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | L96 Q152 I153 R154 G158 S159 | L96-T156 HydrophobicContact CD2-CG2 3.83Å; Q152-T156 PolarHBondContact O-N 2.88Å; Q152-T156 PolarHBondContact O-OG1 2.77Å; I153-T156 VanDerWaalsContact O-CB 3.3Å; I153-T156 WeakPolarHBondContact O-CB 3.17Å; I153-T156 PolarHBondContact O-N 3.41Å; I153-T156 VanDerWaalsContact O-N 3.09Å; I153-T156 PolarHBondContact O-OG1 3.32Å; R154-T156 VanDerWaalsContact C-N 3.33Å; T156-G158 PolarHBondContact O-N 3.09Å; T156-S159 WeakPolarHBondContact O-CB 3.36Å; T156-S159 PolarHBondContact O-N 2.9Å; T156-S159 VanDerWaalsContact O-N 3.08Å; T156-S159 PolarHBondContact O-OG 3.03Å |
| 157 | E | 82.4 | Confident | 91.6 | Very high | 186 Ų | 186 | 52.9 Ų | 52.9 | 87% | 0.869 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 135 | 179.9 | -172.6 | 179.5 | 178 | 0 | 0 | 111.8 | S159 | E157-S159 PolarHBondContact O-N 3.3Š|
| 158 | G | 81.6 | Confident | 91.7 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -8.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | T156 D160 K161 | T156-G158 PolarHBondContact O-N 3.09Å; G158-D160 PolarHBondContact O-N 3.37Å; G158-K161 WeakPolarHBondContact O-CB 3.47Å; G158-K161 PolarHBondContact O-N 3.08Å; G158-K161 VanDerWaalsContact O-N 3.08Å |
| 159 | S | 84.3 | Confident | 91.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -65 | -22 | 178.9 | 71.3 | 0 | 0 | 0 | 0 | 113.7 | I153 R154 T156 E157 K161 L162 | I153-S159 VanDerWaalsContact O-CB 3.29Å; I153-S159 WeakPolarHBondContact O-CB 3.42Å; I153-S159 PolarHBondContact O-OG 3.49Å; R154-S159 WeakPolarHBondContact CA-OG 3.3Å; R154-S159 PolarHBondContact NH1-O 3.43Å; R154-S159 PolarHBondContact O-OG 3.42Å; T156-S159 WeakPolarHBondContact O-CB 3.36Å; T156-S159 PolarHBondContact O-N 2.9Å; T156-S159 VanDerWaalsContact O-N 3.08Å; T156-S159 PolarHBondContact O-OG 3.03Å; E157-S159 PolarHBondContact O-N 3.3Å; S159-K161 PolarHBondContact O-N 3.04Å; S159-L162 WeakPolarHBondContact O-CB 3.13Å; S159-L162 PolarHBondContact O-N 2.69Å |
| 160 | D | 85.5 | Confident | 91.9 | Very high | 141 Ų | 141 | 46.6 Ų | 46.6 | 75% | 0.754 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -63.1 | -22.2 | 173.4 | -59.7 | -33.7 | 0 | 0 | 0 | 113 | G158 L162 | G158-D160 PolarHBondContact O-N 3.37Å; D160-L162 VanDerWaalsContact C-N 3.34Å |
| 161 | K | 87.4 | Confident | 92.1 | Very high | 159 Ų | 159 | 46.6 Ų | 46.6 | 69% | 0.691 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -87.8 | -6.1 | 176.1 | -59.8 | 177.5 | -177.8 | 173.2 | 0 | 112.6 | L119 G158 S159 | L119-K161 HydrophobicContact CD1-CB 4Å; G158-K161 WeakPolarHBondContact O-CB 3.47Å; G158-K161 PolarHBondContact O-N 3.08Å; G158-K161 VanDerWaalsContact O-N 3.08Å; S159-K161 PolarHBondContact O-N 3.04Å |
| 162 | L | 91.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -95 | 131.4 | -179.1 | -61.1 | 176.3 | 0 | 0 | 0 | 111 | L96 V100 L119 V121 I124 R154 S159 D160 | L96-L162 HydrophobicContact CD1-CD1 3.55Å; V100-L162 HydrophobicContact CG1-CD1 4.25Å; L119-L162 HydrophobicContact CD1-CD2 3.9Å; L119-L162 HydrophobicContact CD1-CG 4.43Å; V121-L162 WeakPolarHBondContact O-CD2 3.47Å; I124-L162 HydrophobicContact CD1-CD1 4.27Å; I124-L162 HydrophobicContact CG2-CD1 4.37Å; R154-L162 PolarHBondContact NH1-O 2.84Å; S159-L162 WeakPolarHBondContact O-CB 3.13Å; S159-L162 PolarHBondContact O-N 2.69Å; D160-L162 VanDerWaalsContact C-N 3.34Å |
| 163 | S | 94.5 | Very high | 92.4 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.7 | 162.3 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | K122 E123 I124 S198 | K122-S163 PolarHBondContact O-N 3.06Å; K122-S163 VanDerWaalsContact O-N 3.08Å; E123-S163 WeakPolarHBondContact CA-O 3.36Å; I124-S163 PolarHBondContact N-O 3.07Å; S163-S198 PolarHBondContact OG-OG 2.95Å |
| 164 | I | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111.4 | 177.9 | -56.7 | -167.8 | 0 | 0 | 0 | 109.3 | I124 V126 L150 I153 R154 C197 S198 | I124-I164 HydrophobicContact CD1-CD1 3.78Å; I124-I164 HydrophobicContact CD1-CG1 3.75Å; I124-I164 HydrophobicContact CG1-CB 4.32Å; I124-I164 HydrophobicContact CG1-CD1 4.29Å; I124-I164 HydrophobicContact CG1-CG1 3.69Å; I124-I164 HydrophobicContact CG1-CG2 4.4Å; I124-I164 WeakPolarHBondContact O-CA 3.42Å; V126-I164 HydrophobicContact CG1-CG2 4.2Å; V126-I164 HydrophobicContact CG2-CG2 3.86Å; L150-I164 HydrophobicContact CD1-CD1 4.42Å; L150-I164 HydrophobicContact CD1-CG2 4.35Å; I153-I164 HydrophobicContact CG2-CD1 3.99Å; R154-I164 HydrophobicContact CG-CD1 4.16Å; R154-I164 VanDerWaalsContact CZ-CG1 3.42Å; R154-I164 VanDerWaalsContact NE-CD1 3.34Å; R154-I164 VanDerWaalsContact NH2-CG1 3.27Å; I164-C197 CarbonylContact O-C 3.52Å; I164-C197 WeakPolarHBondContact O-CA 3.41Å; I164-S198 PolarHBondContact N-OG 3.2Å; I164-S198 PolarHBondContact O-N 3.02Å; I164-S198 PolarHBondContact O-OG 2.93Å |
| 165 | R | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.2 | 166.5 | -174.3 | -166.4 | -170.8 | 93.6 | 14 | 109 | V17 I124 A125 V126 Y167 E199 D257 | V17-R165 VanDerWaalsContact CG2-NH1 3.25Å; I124-R165 PolarHBondContact O-N 3.34Å; A125-R165 CarbonylContact C-O 3.54Å; A125-R165 VanDerWaalsContact CA-O 3.22Å; A125-R165 WeakPolarHBondContact CA-O 3.48Å; V126-R165 PolarHBondContact N-O 2.85Å; R165-Y167 PolarHBondContact NE-OH 3.43Å; R165-E199 CarbonylContact C-O 3.54Å; R165-E199 WeakPolarHBondContact CA-O 3.34Å; R165-E199 HydrophobicContact CG-CB 4.48Å; R165-E199 IonicContact CZ-OE1 3.56Å; R165-E199 IonicContact NE-OE1 3.8Å; R165-E199 IonicContact NH1-OE1 3.83Å; R165-E199 PolarHBondContact NH1-OE1 3.42Å; R165-E199 IonicContact NH2-OE1 2.68Å; R165-E199 PolarHBondContact NH2-OE1 3.15Å; R165-D257 IonicContact CZ-OD1 3.4Å; R165-D257 IonicContact CZ-OD2 2.67Å; R165-D257 IonicContact NE-OD2 3.98Å; R165-D257 IonicContact NH2-OD1 3.84Å; R165-D257 PolarHBondContact NH2-OD1 3.21Å; R165-D257 IonicContact NH2-OD2 3.57Å; R165-D257 PolarHBondContact NH2-OD2 2.59Å |
| 166 | A | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V126 L192 C197 E199 V200 S201 | V126-A166 HydrophobicContact CG2-CB 3.81Å; A166-L192 HydrophobicContact CB-CD1 3.76Å; A166-L192 HydrophobicContact CB-CD2 3.66Å; A166-L192 HydrophobicContact CB-CG 4.2Å; A166-C197 HydrophobicContact CB-CB 4.25Å; A166-E199 PolarHBondContact N-O 2.96Å; A166-V200 CarbonylContact O-C 3.56Å; A166-V200 VanDerWaalsContact O-CA 3.29Å; A166-V200 WeakPolarHBondContact O-CA 3.4Å; A166-S201 PolarHBondContact O-N 3.13Å |
| 167 | Y | 97.6 | Very high | 93 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.3 | 169.6 | -68.7 | -88.6 | 0 | 0 | 0 | 110.3 | E53 A125 V126 L127 V128 R165 S201 D257 | E53-Y167 WeakPolarHBondContact OE1-CE2 3.49Å; E53-Y167 PolarHBondContact OE1-OH 2.92Å; A125-Y167 HydrophobicContact CB-CD2 4.16Å; A125-Y167 HydrophobicContact CB-CE2 3.72Å; V126-Y167 PolarHBondContact O-N 3Å; L127-Y167 HydrophobicContact CD2-CD2 3.9Å; L127-Y167 HydrophobicContact CD2-CG 4.04Å; V128-Y167 PolarHBondContact N-O 3.29Å; R165-Y167 PolarHBondContact NE-OH 3.43Å; Y167-S201 WeakPolarHBondContact CA-O 3.37Å; Y167-D257 WeakPolarHBondContact CE1-OD2 3.29Å |
| 168 | V | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 95.5 | 171.7 | -176 | 0 | 0 | 0 | 0 | 108.7 | V128 A130 V185 I188 L192 V200 S201 L202 A203 | V128-V168 CarbonylContact O-C 3.59Å; V128-V168 VanDerWaalsContact O-CA 3.29Å; V128-V168 WeakPolarHBondContact O-CA 3.47Å; A130-V168 HydrophobicContact CB-CG1 4.28Å; V168-V185 HydrophobicContact CG1-CG1 4.39Å; V168-I188 HydrophobicContact CG1-CG2 4.12Å; V168-I188 HydrophobicContact CG2-CG2 3.95Å; V168-L192 HydrophobicContact CG2-CD1 3.55Å; V168-V200 HydrophobicContact CG2-CG1 3.67Å; V168-S201 PolarHBondContact N-O 2.86Å; V168-L202 HydrophobicContact CB-CD2 4.43Å; V168-A203 WeakPolarHBondContact O-CB 3.49Å; V168-A203 PolarHBondContact O-N 2.71Å |
| 169 | S | 96.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 152.8 | 176.5 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | V128 A130 A171 T205 | V128-S169 PolarHBondContact O-N 3.03Å; A130-S169 WeakPolarHBondContact CB-O 3.35Å; A130-S169 PolarHBondContact N-O 2.86Å; S169-A171 PolarHBondContact O-N 2.95Å; S169-T205 WeakPolarHBondContact CA-OG1 3.48Å |
| 170 | C | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 28.8 | 179.4 | -59.7 | 0 | 0 | 0 | 0 | 114.2 | A130 F134 F172 G173 C174 V180 A203 T205 | A130-C170 HydrophobicContact CB-CB 4.39Å; A130-C170 WeakPolarHBondContact CB-O 3.18Å; F134-C170 WeakPolarHBondContact CD2-SG 3.49Å; F134-C170 WeakPolarHBondContact CG-SG 3.36Å; C170-F172 PolarHBondContact O-N 3.22Å; C170-F172 VanDerWaalsContact O-N 3.16Å; C170-G173 VanDerWaalsContact CA-O 3.23Å; C170-G173 WeakPolarHBondContact CA-O 3.13Å; C170-G173 VanDerWaalsContact CB-O 3.23Å; C170-G173 WeakPolarHBondContact CB-O 3.22Å; C170-G173 PolarHBondContact O-N 3.09Å; C170-C174 HydrophobicContact CB-CB 4.17Å; C170-V180 WeakPolarHBondContact O-CG2 3.16Å; C170-A203 PolarHBondContact N-O 2.95Å; C170-T205 PolarHBondContact N-OG1 2.81Å |
| 171 | A | 98 | Very high | 95.4 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -61.5 | -25.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S169 V185 L202 A203 L217 | S169-A171 PolarHBondContact O-N 2.95Å; A171-V185 HydrophobicContact CB-CG1 4.42Å; A171-L202 HydrophobicContact CB-CB 4.33Å; A171-A203 PolarHBondContact N-O 3.45Å; A171-L217 HydrophobicContact CB-CD2 4.15Å |
| 172 | F | 97.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -113.4 | -10.4 | -175.8 | -58 | -81.5 | 0 | 0 | 0 | 114 | C170 L202 D204 V214 L217 F234 | C170-F172 PolarHBondContact O-N 3.22Å; C170-F172 VanDerWaalsContact O-N 3.16Å; F172-L202 HydrophobicContact CE2-CB 4.25Å; F172-L202 HydrophobicContact CZ-CB 4.39Å; F172-D204 HydrophobicContact CB-CB 4.26Å; F172-D204 HydrophobicContact CD2-CB 3.51Å; F172-D204 HydrophobicContact CE2-CB 4.23Å; F172-D204 HydrophobicContact CG-CB 4.16Å; F172-V214 HydrophobicContact CD1-CG2 4.12Å; F172-V214 HydrophobicContact CE1-CB 4.27Å; F172-V214 HydrophobicContact CE1-CG2 3.73Å; F172-V214 HydrophobicContact CZ-CG2 4.2Å; F172-L217 HydrophobicContact CD1-CD2 4.12Å; F172-L217 HydrophobicContact CE1-CB 4.11Å; F172-L217 HydrophobicContact CE1-CD2 3.47Å; F172-L217 VanDerWaalsContact CE1-CD2 3.47Å; F172-L217 HydrophobicContact CE1-CG 4.39Å; F172-L217 HydrophobicContact CE2-CD2 4.38Å; F172-L217 HydrophobicContact CZ-CD2 3.66Å; F172-F234 HydrophobicContact CD2-CE1 4.25Å; F172-F234 HydrophobicContact CE1-CE1 4.41Å; F172-F234 HydrophobicContact CE2-CD1 4.29Å; F172-F234 AromaticContact CE2-CE1 3.57Å; F172-F234 HydrophobicContact CE2-CE1 3.57Å; F172-F234 HydrophobicContact CE2-CZ 4.49Å; F172-F234 AromaticContact CZ-CE1 3.66Å; F172-F234 HydrophobicContact CZ-CE1 3.66Å; F172-F234 HydrophobicContact CZ-CZ 4.24Å |
| 173 | G | 96 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | 170.5 | 150.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | C170 | C170-G173 VanDerWaalsContact CA-O 3.23Å; C170-G173 WeakPolarHBondContact CA-O 3.13Å; C170-G173 VanDerWaalsContact CB-O 3.23Å; C170-G173 WeakPolarHBondContact CB-O 3.22Å; C170-G173 PolarHBondContact O-N 3.09Å | ||
| 174 | C | 95 | Very high | 96.4 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 134.2 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | T131 C170 Y176 D177 G178 V180 | T131-C174 HydrophobicContact CG2-CB 3.74Å; T131-C174 PolarHBondContact OG1-SG 3.45Å; C170-C174 HydrophobicContact CB-CB 4.17Å; C174-Y176 PolarHBondContact O-N 2.89Å; C174-Y176 VanDerWaalsContact O-N 3.1Å; C174-Y176 PolarHBondContact SG-N 3.3Å; C174-Y176 VanDerWaalsContact SG-N 3.36Å; C174-D177 HydrophobicContact CB-CB 4.18Å; C174-D177 PolarHBondContact SG-N 3.3Å; C174-D177 VanDerWaalsContact SG-N 3.35Å; C174-G178 PolarHBondContact N-O 2.88Å; C174-G178 VanDerWaalsContact O-CA 3.25Å; C174-G178 WeakPolarHBondContact O-CA 3.25Å; C174-G178 PolarHBondContact O-N 2.97Å; C174-V180 HydrophobicContact CB-CG2 3.92Å |
| 175 | P | 92.5 | Very high | 96.5 | Very high | 47 Ų | 47 | 41 Ų | 41 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -9 | 177 | 27.1 | -34.1 | 0 | 0 | 0 | 113.5 | F134 I206 F268 | F134-P175 HydrophobicContact CD2-CG 3.92Å; F134-P175 HydrophobicContact CE2-CG 4.23Å; P175-I206 HydrophobicContact CB-CG2 4.2Å; P175-I206 HydrophobicContact CG-CG2 4.07Å; P175-F268 HydrophobicContact CB-CB 4.39Å; P175-F268 HydrophobicContact CB-CD1 4.31Å; P175-F268 HydrophobicContact CB-CG 4.18Å; P175-F268 HydrophobicContact CG-CD1 4.12Å; P175-F268 HydrophobicContact CG-CD2 4.26Å; P175-F268 HydrophobicContact CG-CE1 4.32Å; P175-F268 HydrophobicContact CG-CE2 4.43Å; P175-F268 HydrophobicContact CG-CG 4.1Å; P175-F268 HydrophobicContact CG-CZ 4.45Å |
| 176 | Y | 93.5 | Very high | 96.5 | Very high | 84 Ų | 84 | 44 Ų | 44 | 33% | 0.329 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -48.4 | -178.1 | -49.3 | -58.3 | 0 | 0 | 0 | 112.3 | A133 F134 K137 C174 F268 | A133-Y176 HydrophobicContact CB-CD2 4.32Å; A133-Y176 HydrophobicContact CB-CG 4.37Å; F134-Y176 HydrophobicContact CB-CD2 4.13Å; F134-Y176 HydrophobicContact CB-CE2 4.3Å; F134-Y176 HydrophobicContact CD2-CD2 4.27Å; F134-Y176 AromaticContact CD2-CE2 3.84Å; F134-Y176 HydrophobicContact CD2-CE2 3.84Å; F134-Y176 HydrophobicContact CG-CE2 4.43Å; K137-Y176 HydrophobicContact CB-CE2 4.06Å; K137-Y176 HydrophobicContact CD-CD1 3.92Å; K137-Y176 HydrophobicContact CD-CD2 4Å; K137-Y176 HydrophobicContact CD-CE1 3.42Å; K137-Y176 VanDerWaalsContact CD-CE1 3.42Å; K137-Y176 HydrophobicContact CD-CE2 3.52Å; K137-Y176 HydrophobicContact CD-CG 4.16Å; K137-Y176 WeakPolarHBondContact CD-OH 3.43Å; K137-Y176 HydrophobicContact CG-CE2 4.35Å; C174-Y176 PolarHBondContact O-N 2.89Å; C174-Y176 VanDerWaalsContact O-N 3.1Å; C174-Y176 PolarHBondContact SG-N 3.3Å; C174-Y176 VanDerWaalsContact SG-N 3.36Å; Y176-F268 HydrophobicContact CE2-CE1 4.45Å; Y176-F268 AromaticContact CZ-CE1 3.91Å; Y176-F268 WeakPolarHBondContact OH-CE1 3.29Å |
| 177 | D | 93.5 | Very high | 96.5 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.8 | -176.6 | -61.8 | -30.5 | 0 | 0 | 0 | 113 | T131 A133 C174 K179 | T131-D177 VanDerWaalsContact CB-OD2 3.29Å; T131-D177 WeakPolarHBondContact CB-OD2 3.46Å; T131-D177 HydrophobicContact CG2-CB 4.3Å; A133-D177 WeakPolarHBondContact CB-OD1 3.27Å; A133-D177 WeakPolarHBondContact CB-OD2 3.23Å; C174-D177 HydrophobicContact CB-CB 4.18Å; C174-D177 PolarHBondContact SG-N 3.3Å; C174-D177 VanDerWaalsContact SG-N 3.35Å; D177-K179 PolarHBondContact O-N 2.65Å |
| 178 | G | 94.2 | Very high | 96.5 | Very high | 38 Ų | 38 | 52 Ų | 52 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | 70.2 | -120 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C174 V180 | C174-G178 PolarHBondContact N-O 2.88Å; C174-G178 VanDerWaalsContact O-CA 3.25Å; C174-G178 WeakPolarHBondContact O-CA 3.25Å; C174-G178 PolarHBondContact O-N 2.97Å; G178-V180 PolarHBondContact O-N 2.72Å |
| 179 | K | 95.3 | Very high | 96.5 | Very high | 197 Ų | 197 | 52 Ų | 52 | 86% | 0.857 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -69.6 | 123.2 | -174.6 | -175.4 | 176.3 | -179.2 | 175.6 | 0 | 111.2 | D177 | D177-K179 PolarHBondContact O-N 2.65Š|
| 180 | V | 97.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -91 | 132 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | A130 T131 C170 C174 G178 V185 | A130-V180 HydrophobicContact CB-CG1 3.76Å; T131-V180 HydrophobicContact CG2-CG2 3.57Å; C170-V180 WeakPolarHBondContact O-CG2 3.16Å; C174-V180 HydrophobicContact CB-CG2 3.92Å; G178-V180 PolarHBondContact O-N 2.72Å; V180-V185 HydrophobicContact CG1-CG2 3.77Å |
| 181 | K | 97.6 | Very high | 96.6 | Very high | 166 Ų | 166 | 57 Ų | 57 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 134 | 179.9 | -65.3 | -179.9 | -177.7 | 176.6 | 0 | 110.1 | G183 Q184 V185 | K181-G183 VanDerWaalsContact C-N 3.25Å; K181-G183 PolarHBondContact O-N 3.33Å; K181-Q184 HydrophobicContact CB-CB 4.4Å; K181-Q184 VanDerWaalsContact O-CB 3.29Å; K181-Q184 WeakPolarHBondContact O-CB 3.45Å; K181-Q184 PolarHBondContact O-N 3.08Å; K181-V185 PolarHBondContact O-N 3.41Å |
| 182 | I | 98 | Very high | 96.5 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -51.8 | -44.6 | 175.6 | -72.6 | 170.3 | 0 | 0 | 0 | 111.6 | Q184 V185 R186 A216 L217 E220 | I182-Q184 PolarHBondContact O-N 3.44Å; I182-V185 PolarHBondContact O-N 2.91Å; I182-V185 VanDerWaalsContact O-N 3.09Å; I182-R186 PolarHBondContact O-N 2.82Å; I182-A216 HydrophobicContact CD1-CB 3.73Å; I182-L217 HydrophobicContact CB-CD1 4.44Å; I182-L217 HydrophobicContact CG1-CB 4.47Å; I182-L217 HydrophobicContact CG1-CD1 4.27Å; I182-L217 HydrophobicContact CG2-CD1 4.11Å; I182-E220 HydrophobicContact CG2-CB 3.53Å; I182-E220 HydrophobicContact CG2-CG 3.54Å |
| 183 | G | 97.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -26.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | K181 R187 | K181-G183 VanDerWaalsContact C-N 3.25Å; K181-G183 PolarHBondContact O-N 3.33Å; G183-R187 WeakPolarHBondContact O-CG 3.32Å; G183-R187 PolarHBondContact O-N 3.31Å |
| 184 | Q | 97.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.7 | -46.9 | 173.2 | 178.2 | 64.8 | 23.6 | 0 | 0 | 110.3 | A130 K181 I182 R186 R187 I188 | A130-Q184 VanDerWaalsContact O-CG 3.3Å; A130-Q184 WeakPolarHBondContact O-CG 3.34Å; K181-Q184 HydrophobicContact CB-CB 4.4Å; K181-Q184 VanDerWaalsContact O-CB 3.29Å; K181-Q184 WeakPolarHBondContact O-CB 3.45Å; K181-Q184 PolarHBondContact O-N 3.08Å; I182-Q184 PolarHBondContact O-N 3.44Å; Q184-R186 VanDerWaalsContact C-N 3.33Å; Q184-R186 PolarHBondContact O-N 2.93Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-I188 HydrophobicContact CG-CD1 4.38Å; Q184-I188 WeakPolarHBondContact O-CG1 3.35Å; Q184-I188 PolarHBondContact O-N 3.1Å |
| 185 | V | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | A130 V168 A171 V180 K181 I182 R187 I188 V189 L202 L217 L221 | A130-V185 HydrophobicContact CB-CG2 4.16Å; V168-V185 HydrophobicContact CG1-CG1 4.39Å; A171-V185 HydrophobicContact CB-CG1 4.42Å; V180-V185 HydrophobicContact CG1-CG2 3.77Å; K181-V185 PolarHBondContact O-N 3.41Å; I182-V185 PolarHBondContact O-N 2.91Å; I182-V185 VanDerWaalsContact O-N 3.09Å; V185-R187 PolarHBondContact O-N 3.18Å; V185-I188 PolarHBondContact O-N 3.42Å; V185-V189 HydrophobicContact CG1-CG2 4.2Å; V185-V189 WeakPolarHBondContact O-CG2 3.19Å; V185-V189 PolarHBondContact O-N 2.56Å; V185-L202 HydrophobicContact CG1-CD2 4.25Å; V185-L217 HydrophobicContact CB-CD1 3.78Å; V185-L217 HydrophobicContact CG1-CD1 3.81Å; V185-L217 HydrophobicContact CG1-CD2 4.16Å; V185-L217 HydrophobicContact CG2-CD1 4.31Å; V185-L221 HydrophobicContact CG1-CD1 4.43Å |
| 186 | R | 98.1 | Very high | 96.2 | Very high | 62 Ų | 62 | 66 Ų | 66 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53 | -51.9 | 174.1 | 176.7 | 177 | 175.1 | 132.4 | 4.6 | 112.7 | I182 Q184 I188 V189 E190 E220 L221 S223 | I182-R186 PolarHBondContact O-N 2.82Å; Q184-R186 VanDerWaalsContact C-N 3.33Å; Q184-R186 PolarHBondContact O-N 2.93Å; R186-I188 VanDerWaalsContact C-N 3.26Å; R186-I188 PolarHBondContact O-N 2.68Å; R186-V189 PolarHBondContact O-N 2.91Å; R186-E190 HydrophobicContact CG-CG 4.29Å; R186-E190 IonicContact CZ-OE1 2.76Å; R186-E190 IonicContact NE-OE1 3.78Å; R186-E190 PolarHBondContact NE-OE1 3.23Å; R186-E190 IonicContact NH2-OE1 3.83Å; R186-E190 PolarHBondContact NH2-OE1 3.39Å; R186-E190 WeakPolarHBondContact O-CG 3.47Å; R186-E190 PolarHBondContact O-N 2.91Å; R186-E220 HydrophobicContact CB-CG 4.4Å; R186-E220 WeakPolarHBondContact CD-OE1 3.45Å; R186-E220 IonicContact CZ-OE1 3.46Å; R186-E220 IonicContact NE-OE1 3.9Å; R186-E220 IonicContact NH1-OE1 2.59Å; R186-E220 PolarHBondContact NH1-OE1 3.01Å; R186-L221 HydrophobicContact CB-CD2 4.04Å; R186-L221 HydrophobicContact CG-CD2 4.48Å; R186-S223 PolarHBondContact NH1-OG 3.3Å |
| 187 | R | 97.7 | Very high | 96.3 | Very high | 170 Ų | 170 | 62 Ų | 62 | 64% | 0.642 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.2 | -39.1 | 179.3 | -70.9 | 174.4 | -163.6 | -166.3 | 2.9 | 112.4 | G183 Q184 V185 R191 | G183-R187 WeakPolarHBondContact O-CG 3.32Å; G183-R187 PolarHBondContact O-N 3.31Å; Q184-R187 PolarHBondContact O-N 3.15Å; V185-R187 PolarHBondContact O-N 3.18Å; R187-R191 WeakPolarHBondContact O-CG 3.48Å; R187-R191 PolarHBondContact O-N 2.93Å; R187-R191 VanDerWaalsContact O-N 3.1Å |
| 188 | I | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 177.6 | -68.9 | 168.2 | 0 | 0 | 0 | 110.3 | V128 A130 I143 F147 V168 Q184 V185 R186 E190 R191 L192 | V128-I188 HydrophobicContact CG1-CG2 3.97Å; A130-I188 HydrophobicContact CB-CD1 4.35Å; I143-I188 HydrophobicContact CD1-CD1 4.34Å; I143-I188 HydrophobicContact CG2-CG1 4.49Å; F147-I188 HydrophobicContact CE2-CG1 4.33Å; F147-I188 HydrophobicContact CE2-CG2 4.44Å; F147-I188 HydrophobicContact CZ-CB 4.39Å; F147-I188 HydrophobicContact CZ-CG2 3.99Å; V168-I188 HydrophobicContact CG1-CG2 4.12Å; V168-I188 HydrophobicContact CG2-CG2 3.95Å; Q184-I188 HydrophobicContact CG-CD1 4.38Å; Q184-I188 WeakPolarHBondContact O-CG1 3.35Å; Q184-I188 PolarHBondContact O-N 3.1Å; V185-I188 PolarHBondContact O-N 3.42Å; R186-I188 VanDerWaalsContact C-N 3.26Å; R186-I188 PolarHBondContact O-N 2.68Å; I188-E190 PolarHBondContact O-N 3.06Å; I188-R191 PolarHBondContact O-N 3.15Å; I188-L192 HydrophobicContact CG2-CD1 3.96Å; I188-L192 HydrophobicContact CG2-CG 4.44Å; I188-L192 VanDerWaalsContact O-CG 3.32Å; I188-L192 WeakPolarHBondContact O-CG 3.35Å; I188-L192 PolarHBondContact O-N 3.33Å |
| 189 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | V185 R186 R191 L192 N193 V200 L202 L221 I225 | V185-V189 HydrophobicContact CG1-CG2 4.2Å; V185-V189 WeakPolarHBondContact O-CG2 3.19Å; V185-V189 PolarHBondContact O-N 2.56Å; R186-V189 PolarHBondContact O-N 2.91Å; V189-R191 PolarHBondContact O-N 3.27Å; V189-L192 PolarHBondContact O-N 2.9Å; V189-N193 WeakPolarHBondContact O-CB 3.46Å; V189-N193 PolarHBondContact O-N 2.78Å; V189-V200 HydrophobicContact CG2-CG1 4.19Å; V189-L202 HydrophobicContact CG2-CD2 3.99Å; V189-L221 HydrophobicContact CB-CD2 3.92Å; V189-L221 HydrophobicContact CG1-CD2 4.17Å; V189-L221 HydrophobicContact CG2-CD1 4.1Å; V189-L221 HydrophobicContact CG2-CD2 3.87Å; V189-I225 HydrophobicContact CG1-CB 4.49Å; V189-I225 HydrophobicContact CG1-CD1 4.17Å; V189-I225 HydrophobicContact CG1-CG2 3.93Å |
| 190 | E | 97.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -44.1 | 175 | -74.5 | 171.5 | 164.3 | 0 | 0 | 111.5 | R186 I188 N193 M194 V224 | R186-E190 HydrophobicContact CG-CG 4.29Å; R186-E190 IonicContact CZ-OE1 2.76Å; R186-E190 IonicContact NE-OE1 3.78Å; R186-E190 PolarHBondContact NE-OE1 3.23Å; R186-E190 IonicContact NH2-OE1 3.83Å; R186-E190 PolarHBondContact NH2-OE1 3.39Å; R186-E190 WeakPolarHBondContact O-CG 3.47Å; R186-E190 PolarHBondContact O-N 2.91Å; I188-E190 PolarHBondContact O-N 3.06Å; E190-N193 WeakPolarHBondContact O-CB 3.46Å; E190-N193 PolarHBondContact O-N 2.86Å; E190-M194 WeakPolarHBondContact O-CG 3.36Å; E190-M194 PolarHBondContact O-N 3.11Å; E190-V224 HydrophobicContact CG-CB 4.32Å; E190-V224 HydrophobicContact CG-CG2 4.05Å |
| 191 | R | 97 | Very high | 96.8 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.2 | -76.7 | 178.7 | 74 | 179 | 10.1 | 113 | E144 F147 R187 I188 V189 N193 M194 L195 | E144-R191 IonicContact OE1-CZ 3.51Å; E144-R191 IonicContact OE1-NH1 2.72Å; E144-R191 PolarHBondContact OE1-NH1 3.38Å; E144-R191 IonicContact OE1-NH2 2.56Å; E144-R191 IonicContact OE2-CZ 2.97Å; E144-R191 VanDerWaalsContact OE2-CZ 3.31Å; E144-R191 IonicContact OE2-NH1 3.53Å; E144-R191 PolarHBondContact OE2-NH1 2.86Å; E144-R191 IonicContact OE2-NH2 3.91Å; E144-R191 PolarHBondContact OE2-NH2 3.08Å; F147-R191 VanDerWaalsContact CB-NH2 3.29Å; F147-R191 HydrophobicContact CD1-CB 4.2Å; F147-R191 HydrophobicContact CE1-CB 3.43Å; F147-R191 VanDerWaalsContact CE1-CB 3.43Å; F147-R191 HydrophobicContact CE2-CB 4.42Å; F147-R191 VanDerWaalsContact CG-CZ 3.44Å; F147-R191 HydrophobicContact CZ-CB 3.57Å; F147-R191 HydrophobicContact CZ-CG 4.44Å; R187-R191 WeakPolarHBondContact O-CG 3.48Å; R187-R191 PolarHBondContact O-N 2.93Å; R187-R191 VanDerWaalsContact O-N 3.1Å; I188-R191 PolarHBondContact O-N 3.15Å; V189-R191 PolarHBondContact O-N 3.27Å; R191-N193 VanDerWaalsContact C-N 3.26Å; R191-N193 PolarHBondContact O-N 3.3Å; R191-M194 HydrophobicContact CB-CE 4.36Å; R191-M194 HydrophobicContact CG-CE 3.86Å; R191-M194 PolarHBondContact O-N 3.39Å; R191-L195 WeakPolarHBondContact O-CG 3.49Å; R191-L195 PolarHBondContact O-N 3.4Å |
| 192 | L | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 175.4 | -69.8 | 171.7 | 0 | 0 | 0 | 111.4 | V128 F147 L150 A166 V168 I188 V189 L195 G196 C197 V200 | V128-L192 HydrophobicContact CG2-CD2 4.16Å; F147-L192 HydrophobicContact CE1-CD2 3.85Å; F147-L192 HydrophobicContact CE1-CG 4.02Å; F147-L192 HydrophobicContact CZ-CD2 4.44Å; F147-L192 HydrophobicContact CZ-CG 4.28Å; L150-L192 HydrophobicContact CD2-CD2 3.5Å; L150-L192 VanDerWaalsContact CD2-CD2 3.5Å; A166-L192 HydrophobicContact CB-CD1 3.76Å; A166-L192 HydrophobicContact CB-CD2 3.66Å; A166-L192 HydrophobicContact CB-CG 4.2Å; V168-L192 HydrophobicContact CG2-CD1 3.55Å; I188-L192 HydrophobicContact CG2-CD1 3.96Å; I188-L192 HydrophobicContact CG2-CG 4.44Å; I188-L192 VanDerWaalsContact O-CG 3.32Å; I188-L192 WeakPolarHBondContact O-CG 3.35Å; I188-L192 PolarHBondContact O-N 3.33Å; V189-L192 PolarHBondContact O-N 2.9Å; L192-L195 PolarHBondContact O-N 3.23Å; L192-G196 PolarHBondContact O-N 2.99Å; L192-C197 HydrophobicContact CB-CB 4.38Å; L192-C197 WeakPolarHBondContact O-CB 3.38Å; L192-C197 PolarHBondContact O-N 3.4Å; L192-C197 PolarHBondContact O-SG 3.09Å; L192-V200 HydrophobicContact CB-CG2 4.03Å; L192-V200 HydrophobicContact CD1-CG1 3.93Å; L192-V200 HydrophobicContact CD1-CG2 4.24Å |
| 193 | N | 94.1 | Very high | 96.9 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 174.4 | -176.7 | 23.2 | 0 | 0 | 0 | 111.6 | V189 E190 R191 L195 G196 I225 R229 | V189-N193 WeakPolarHBondContact O-CB 3.46Å; V189-N193 PolarHBondContact O-N 2.78Å; E190-N193 WeakPolarHBondContact O-CB 3.46Å; E190-N193 PolarHBondContact O-N 2.86Å; R191-N193 VanDerWaalsContact C-N 3.26Å; R191-N193 PolarHBondContact O-N 3.3Å; N193-L195 VanDerWaalsContact C-N 3.31Å; N193-L195 PolarHBondContact O-N 3.5Å; N193-G196 PolarHBondContact O-N 3.34Å; N193-I225 HydrophobicContact CB-CD1 4.44Å; N193-R229 PolarHBondContact OD1-NH1 2.72Å; N193-R229 PolarHBondContact OD1-NH2 2.74Å |
| 194 | M | 94.2 | Very high | 96.8 | Very high | 147 Ų | 147 | 36.5 Ų | 36.5 | 72% | 0.724 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.4 | -33.1 | 177.1 | -72 | -174.1 | -65.4 | 0 | 0 | 113.2 | E190 R191 G196 | E190-M194 WeakPolarHBondContact O-CG 3.36Å; E190-M194 PolarHBondContact O-N 3.11Å; R191-M194 HydrophobicContact CB-CE 4.36Å; R191-M194 HydrophobicContact CG-CE 3.86Å; R191-M194 PolarHBondContact O-N 3.39Å; M194-G196 PolarHBondContact O-N 2.78Å |
| 195 | L | 93.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 4.5 | 173.5 | -68 | 172.7 | 0 | 0 | 0 | 113.5 | F147 L150 E151 R154 R191 L192 N193 | F147-L195 HydrophobicContact CD1-CD1 3.69Å; F147-L195 HydrophobicContact CE1-CD1 4.16Å; L150-L195 HydrophobicContact CB-CD1 4.47Å; L150-L195 HydrophobicContact CD2-CD1 3.7Å; L150-L195 HydrophobicContact CG-CD1 3.99Å; E151-L195 HydrophobicContact CG-CD1 4.34Å; E151-L195 HydrophobicContact CG-CD2 3.66Å; R154-L195 PolarHBondContact NE-O 3.34Å; R191-L195 WeakPolarHBondContact O-CG 3.49Å; R191-L195 PolarHBondContact O-N 3.4Å; L192-L195 PolarHBondContact O-N 3.23Å; N193-L195 VanDerWaalsContact C-N 3.31Å; N193-L195 PolarHBondContact O-N 3.5Å |
| 196 | G | 92.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 35 Ų | 35 | 40% | 0.402 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 26.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | R154 L192 N193 M194 S198 | R154-G196 PolarHBondContact NH2-O 3.31Å; L192-G196 PolarHBondContact O-N 2.99Å; N193-G196 PolarHBondContact O-N 3.34Å; M194-G196 PolarHBondContact O-N 2.78Å; G196-S198 PolarHBondContact O-N 2.94Å |
| 197 | C | 95.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -60.7 | 128.1 | 171 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | I164 A166 L192 E199 R229 | I164-C197 CarbonylContact O-C 3.52Å; I164-C197 WeakPolarHBondContact O-CA 3.41Å; A166-C197 HydrophobicContact CB-CB 4.25Å; L192-C197 HydrophobicContact CB-CB 4.38Å; L192-C197 WeakPolarHBondContact O-CB 3.38Å; L192-C197 PolarHBondContact O-N 3.4Å; L192-C197 PolarHBondContact O-SG 3.09Å; C197-E199 VanDerWaalsContact C-N 3.33Å; C197-R229 PolarHBondContact O-NH2 3.39Å | ||
| 198 | S | 96.2 | Very high | 96.2 | Very high | 46 Ų | 46 | 26.5 Ų | 26.5 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -69.7 | -35.4 | -176.5 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | S163 I164 G196 R229 | S163-S198 PolarHBondContact OG-OG 2.95Å; I164-S198 PolarHBondContact N-OG 3.2Å; I164-S198 PolarHBondContact O-N 3.02Å; I164-S198 PolarHBondContact O-OG 2.93Å; G196-S198 PolarHBondContact O-N 2.94Å; S198-R229 WeakPolarHBondContact O-CG 3.38Å; S198-R229 PolarHBondContact O-NE 2.68Å |
| 199 | E | 98 | Very high | 96.2 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 9% | 0.093 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 145.6 | 179.2 | -168.9 | 174 | 65.3 | 0 | 0 | 110.9 | R165 A166 C197 R229 A231 T255 | R165-E199 CarbonylContact C-O 3.54Å; R165-E199 WeakPolarHBondContact CA-O 3.34Å; R165-E199 HydrophobicContact CG-CB 4.48Å; R165-E199 IonicContact CZ-OE1 3.56Å; R165-E199 IonicContact NE-OE1 3.8Å; R165-E199 IonicContact NH1-OE1 3.83Å; R165-E199 PolarHBondContact NH1-OE1 3.42Å; R165-E199 IonicContact NH2-OE1 2.68Å; R165-E199 PolarHBondContact NH2-OE1 3.15Å; A166-E199 PolarHBondContact N-O 2.96Å; C197-E199 VanDerWaalsContact C-N 3.33Å; E199-R229 CarbonylContact C-O 3.55Å; E199-R229 WeakPolarHBondContact CA-O 3.15Å; E199-A231 HydrophobicContact CG-CB 4.06Å; E199-T255 VanDerWaalsContact OE2-CB 3.28Å; E199-T255 WeakPolarHBondContact OE2-CB 3.21Å; E199-T255 WeakPolarHBondContact OE2-CG2 3.32Å; E199-T255 PolarHBondContact OE2-OG1 3.01Å |
| 200 | V | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.2 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | A166 V168 V189 L192 L202 I225 R229 I230 A231 | A166-V200 CarbonylContact O-C 3.56Å; A166-V200 VanDerWaalsContact O-CA 3.29Å; A166-V200 WeakPolarHBondContact O-CA 3.4Å; V168-V200 HydrophobicContact CG2-CG1 3.67Å; V189-V200 HydrophobicContact CG2-CG1 4.19Å; L192-V200 HydrophobicContact CB-CG2 4.03Å; L192-V200 HydrophobicContact CD1-CG1 3.93Å; L192-V200 HydrophobicContact CD1-CG2 4.24Å; V200-L202 HydrophobicContact CG1-CD2 4.32Å; V200-I225 HydrophobicContact CG2-CD1 4.26Å; V200-R229 PolarHBondContact N-O 3.2Å; V200-I230 WeakPolarHBondContact O-CA 3.31Å; V200-A231 PolarHBondContact O-N 2.81Å |
| 201 | S | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 111 | A166 Y167 V168 A231 D257 | A166-S201 PolarHBondContact O-N 3.13Å; Y167-S201 WeakPolarHBondContact CA-O 3.37Å; V168-S201 PolarHBondContact N-O 2.86Å; S201-A231 WeakPolarHBondContact CA-O 3.15Å; S201-D257 WeakPolarHBondContact CB-OD2 3.42Å; S201-D257 PolarHBondContact OG-OD2 2.82Å |
| 202 | L | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.9 | 179.2 | -57.9 | 173 | 0 | 0 | 0 | 109.5 | V168 A171 F172 V185 V189 V200 L217 L218 L221 I230 A231 H233 | V168-L202 HydrophobicContact CB-CD2 4.43Å; A171-L202 HydrophobicContact CB-CB 4.33Å; F172-L202 HydrophobicContact CE2-CB 4.25Å; F172-L202 HydrophobicContact CZ-CB 4.39Å; V185-L202 HydrophobicContact CG1-CD2 4.25Å; V189-L202 HydrophobicContact CG2-CD2 3.99Å; V200-L202 HydrophobicContact CG1-CD2 4.32Å; L202-L217 HydrophobicContact CD1-CD2 4.39Å; L202-L218 HydrophobicContact CD1-CD2 3.72Å; L202-L221 HydrophobicContact CD1-CD1 3.47Å; L202-L221 VanDerWaalsContact CD1-CD1 3.47Å; L202-L221 HydrophobicContact CD2-CD1 3.85Å; L202-L221 HydrophobicContact CG-CD1 4.3Å; L202-I230 HydrophobicContact CD1-CG2 3.87Å; L202-I230 HydrophobicContact CG-CG2 4.29Å; L202-A231 PolarHBondContact N-O 2.8Å; L202-H233 PolarHBondContact O-N 3.37Å |
| 203 | A | 97.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V168 C170 A171 T205 H233 | V168-A203 WeakPolarHBondContact O-CB 3.49Å; V168-A203 PolarHBondContact O-N 2.71Å; C170-A203 PolarHBondContact N-O 2.95Å; A171-A203 PolarHBondContact N-O 3.45Å; A203-T205 VanDerWaalsContact C-N 3.3Å; A203-T205 PolarHBondContact O-N 2.67Å; A203-H233 CarbonylContact C-O 3.5Å; A203-H233 VanDerWaalsContact CA-O 3.29Å; A203-H233 WeakPolarHBondContact CA-O 3.41Å; A203-H233 HydrophobicContact CB-CB 4.06Å |
| 204 | D | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 74.1 | 162.8 | -174.6 | 11.4 | 0 | 0 | 0 | 109.9 | F172 I206 G207 V208 G209 H233 F234 H235 | F172-D204 HydrophobicContact CB-CB 4.26Å; F172-D204 HydrophobicContact CD2-CB 3.51Å; F172-D204 HydrophobicContact CE2-CB 4.23Å; F172-D204 HydrophobicContact CG-CB 4.16Å; D204-I206 PolarHBondContact O-N 3.17Å; D204-G207 VanDerWaalsContact CG-CA 3.41Å; D204-G207 PolarHBondContact O-N 3.42Å; D204-G207 WeakPolarHBondContact OD1-CA 3.47Å; D204-G207 PolarHBondContact OD1-N 2.97Å; D204-G207 WeakPolarHBondContact OD2-CA 3.23Å; D204-V208 PolarHBondContact OD1-N 3.2Å; D204-V208 PolarHBondContact OD2-N 3Å; D204-V208 VanDerWaalsContact OD2-N 3.08Å; D204-G209 PolarHBondContact OD1-N 2.67Å; D204-G209 VanDerWaalsContact OD2-CA 3.32Å; D204-G209 WeakPolarHBondContact OD2-CA 3.42Å; D204-G209 PolarHBondContact OD2-N 3.2Å; D204-H233 PolarHBondContact N-O 2.86Å; D204-F234 HydrophobicContact CB-CD1 3.76Å; D204-F234 HydrophobicContact CB-CE1 4.46Å; D204-H235 WeakPolarHBondContact O-CB 3.47Å; D204-H235 PolarHBondContact O-N 3.22Å |
| 205 | T | 93.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 26.2 Ų | 26.2 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.9 | -170.5 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | F134 S169 C170 A203 H235 F268 | F134-T205 HydrophobicContact CE2-CG2 4.05Å; F134-T205 HydrophobicContact CZ-CG2 3.71Å; S169-T205 WeakPolarHBondContact CA-OG1 3.48Å; C170-T205 PolarHBondContact N-OG1 2.81Å; A203-T205 VanDerWaalsContact C-N 3.3Å; A203-T205 PolarHBondContact O-N 2.67Å; T205-H235 PolarHBondContact O-CE1 3.5Å; T205-H235 PolarHBondContact O-ND1 2.97Å; T205-F268 HydrophobicContact CG2-CE2 4.49Å |
| 206 | I | 93.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 9% | 0.087 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 4.7 | -179.3 | 59.1 | 167.2 | 0 | 0 | 0 | 113 | P175 D204 V208 T237 Y238 F268 | P175-I206 HydrophobicContact CB-CG2 4.2Å; P175-I206 HydrophobicContact CG-CG2 4.07Å; D204-I206 PolarHBondContact O-N 3.17Å; I206-V208 VanDerWaalsContact C-N 3.31Å; I206-V208 HydrophobicContact CB-CG1 4.47Å; I206-V208 HydrophobicContact CD1-CB 4.32Å; I206-V208 HydrophobicContact CD1-CG1 3.66Å; I206-V208 HydrophobicContact CD1-CG2 3.71Å; I206-V208 HydrophobicContact CG1-CB 4.29Å; I206-V208 HydrophobicContact CG1-CG1 3.78Å; I206-V208 HydrophobicContact CG1-CG2 3.7Å; I206-V208 PolarHBondContact O-N 3Å; I206-T237 WeakPolarHBondContact O-CB 3.42Å; I206-Y238 WeakPolarHBondContact O-CE2 3.45Å; I206-F268 HydrophobicContact CG2-CD2 3.8Å; I206-F268 HydrophobicContact CG2-CG 4.43Å |
| 207 | G | 95.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 67.3 | 23 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D204 H235 Y238 | D204-G207 VanDerWaalsContact CG-CA 3.41Å; D204-G207 PolarHBondContact O-N 3.42Å; D204-G207 WeakPolarHBondContact OD1-CA 3.47Å; D204-G207 PolarHBondContact OD1-N 2.97Å; D204-G207 WeakPolarHBondContact OD2-CA 3.23Å; G207-H235 WeakPolarHBondContact CA-O 3.47Å; G207-Y238 WeakPolarHBondContact O-CB 3.48Å; G207-Y238 VanDerWaalsContact O-CD2 3.29Å; G207-Y238 WeakPolarHBondContact O-CD2 3.17Å |
| 208 | V | 96 | Very high | 97.5 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 33% | 0.327 | 16% | 0.157 | S | C | . | . | trans | -93.4 | -7.9 | -176.2 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | D204 I206 Y238 | D204-V208 PolarHBondContact OD1-N 3.2Å; D204-V208 PolarHBondContact OD2-N 3Å; D204-V208 VanDerWaalsContact OD2-N 3.08Å; I206-V208 VanDerWaalsContact C-N 3.31Å; I206-V208 HydrophobicContact CB-CG1 4.47Å; I206-V208 HydrophobicContact CD1-CB 4.32Å; I206-V208 HydrophobicContact CD1-CG1 3.66Å; I206-V208 HydrophobicContact CD1-CG2 3.71Å; I206-V208 HydrophobicContact CG1-CB 4.29Å; I206-V208 HydrophobicContact CG1-CG1 3.78Å; I206-V208 HydrophobicContact CG1-CG2 3.7Å; I206-V208 PolarHBondContact O-N 3Å; V208-Y238 HydrophobicContact CG1-CD2 3.99Å; V208-Y238 HydrophobicContact CG1-CE2 3.63Å | ||
| 209 | G | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -60.5 | 141.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D204 Q240 N244 | D204-G209 PolarHBondContact OD1-N 2.67Å; D204-G209 VanDerWaalsContact OD2-CA 3.32Å; D204-G209 WeakPolarHBondContact OD2-CA 3.42Å; D204-G209 PolarHBondContact OD2-N 3.2Å; G209-Q240 WeakPolarHBondContact O-CB 3.36Å; G209-Q240 WeakPolarHBondContact O-CG 3.41Å; G209-N244 VanDerWaalsContact C-ND2 3.35Å; G209-N244 PolarHBondContact O-ND2 3.33Å | ||
| 210 | T | 98.5 | Very high | 97.6 | Very high | 58 Ų | 58 | 29.4 Ų | 29.4 | 36% | 0.356 | 18% | 0.178 | S | C | . | . | trans | -120.6 | 162.8 | 175.2 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | G212 T213 V214 N244 | T210-G212 PolarHBondContact O-N 2.78Å; T210-G212 VanDerWaalsContact O-N 3.09Å; T210-T213 PolarHBondContact N-OG1 3.41Å; T210-T213 PolarHBondContact O-N 3.18Å; T210-T213 PolarHBondContact O-OG1 2.66Å; T210-T213 PolarHBondContact OG1-N 3.32Å; T210-T213 PolarHBondContact OG1-OG1 3.17Å; T210-V214 WeakPolarHBondContact O-CG2 3.43Å; T210-V214 PolarHBondContact O-N 3.49Å; T210-N244 WeakPolarHBondContact CA-OD1 3.14Å; T210-N244 PolarHBondContact O-OD1 3.23Å | ||
| 211 | P | 98.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -48.3 | -41.3 | 176.3 | -35.2 | 39.8 | 0 | 0 | 0 | 113.7 | V214 F215 A243 N244 V247 | P211-V214 PolarHBondContact O-N 3.03Å; P211-F215 WeakPolarHBondContact O-CB 3.34Å; P211-F215 PolarHBondContact O-N 2.88Å; P211-A243 HydrophobicContact CG-CB 3.95Å; P211-N244 WeakPolarHBondContact CD-OD1 3.14Å; P211-N244 VanDerWaalsContact N-OD1 3.07Å; P211-V247 HydrophobicContact CB-CG2 3.65Å; P211-V247 HydrophobicContact CG-CG2 4.48Å |
| 212 | G | 98.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 53% | 0.526 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.7 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T210 A216 | T210-G212 PolarHBondContact O-N 2.78Å; T210-G212 VanDerWaalsContact O-N 3.09Å; G212-A216 WeakPolarHBondContact O-CB 3.32Å; G212-A216 PolarHBondContact O-N 2.89Å |
| 213 | T | 98.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 36% | 0.362 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.5 | -34.1 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 112 | T210 L217 | T210-T213 PolarHBondContact N-OG1 3.41Å; T210-T213 PolarHBondContact O-N 3.18Å; T210-T213 PolarHBondContact O-OG1 2.66Å; T210-T213 PolarHBondContact OG1-N 3.32Å; T210-T213 PolarHBondContact OG1-OG1 3.17Å; T213-L217 WeakPolarHBondContact O-CB 3.45Å; T213-L217 PolarHBondContact O-N 3.31Å |
| 214 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | F172 T210 P211 A216 L217 L218 F234 N244 V247 | F172-V214 HydrophobicContact CD1-CG2 4.12Å; F172-V214 HydrophobicContact CE1-CB 4.27Å; F172-V214 HydrophobicContact CE1-CG2 3.73Å; F172-V214 HydrophobicContact CZ-CG2 4.2Å; T210-V214 WeakPolarHBondContact O-CG2 3.43Å; T210-V214 PolarHBondContact O-N 3.49Å; P211-V214 PolarHBondContact O-N 3.03Å; V214-A216 PolarHBondContact O-N 3.12Å; V214-L217 PolarHBondContact O-N 2.84Å; V214-L218 HydrophobicContact CG1-CD1 3.75Å; V214-L218 HydrophobicContact CG1-CG 4.36Å; V214-L218 WeakPolarHBondContact O-CB 3.38Å; V214-L218 WeakPolarHBondContact O-CG 3.41Å; V214-L218 PolarHBondContact O-N 2.91Å; V214-F234 HydrophobicContact CG1-CZ 3.86Å; V214-F234 HydrophobicContact CG2-CE1 3.74Å; V214-F234 HydrophobicContact CG2-CZ 3.79Å; V214-N244 HydrophobicContact CG2-CB 3.84Å; V214-V247 HydrophobicContact CB-CG1 4.28Å; V214-V247 HydrophobicContact CG1-CB 4.12Å; V214-V247 HydrophobicContact CG1-CG1 3.88Å |
| 215 | F | 98.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 37.5 Ų | 37.5 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.3 | -52.3 | 175.6 | -178.7 | -89.7 | 0 | 0 | 0 | 111.4 | P211 L217 L218 D219 V247 M251 | P211-F215 WeakPolarHBondContact O-CB 3.34Å; P211-F215 PolarHBondContact O-N 2.88Å; F215-L217 VanDerWaalsContact C-N 3.35Å; F215-L217 PolarHBondContact O-N 3.33Å; F215-L218 PolarHBondContact O-N 3.34Å; F215-D219 HydrophobicContact CE1-CB 4.37Å; F215-D219 VanDerWaalsContact O-CB 3.28Å; F215-D219 WeakPolarHBondContact O-CB 3.41Å; F215-D219 PolarHBondContact O-N 2.88Å; F215-V247 HydrophobicContact CB-CG1 3.91Å; F215-V247 HydrophobicContact CD2-CG1 4.48Å; F215-M251 HydrophobicContact CB-SD 4.37Å; F215-M251 HydrophobicContact CD2-CE 4.06Å; F215-M251 HydrophobicContact CD2-CG 4.42Å; F215-M251 HydrophobicContact CD2-SD 3.65Å; F215-M251 HydrophobicContact CE2-CE 4.18Å; F215-M251 HydrophobicContact CE2-SD 4.25Å; F215-M251 HydrophobicContact CG-SD 4.26Å |
| 216 | A | 98.4 | Very high | 97 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -39.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I182 G212 V214 E220 | I182-A216 HydrophobicContact CD1-CB 3.73Å; G212-A216 WeakPolarHBondContact O-CB 3.32Å; G212-A216 PolarHBondContact O-N 2.89Å; V214-A216 PolarHBondContact O-N 3.12Å; A216-E220 PolarHBondContact O-N 3.45Å |
| 217 | L | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.2 | -47.3 | 177.1 | 177.8 | 61.2 | 0 | 0 | 0 | 111.5 | A171 F172 I182 V185 L202 T213 V214 F215 D219 E220 L221 | A171-L217 HydrophobicContact CB-CD2 4.15Å; F172-L217 HydrophobicContact CD1-CD2 4.12Å; F172-L217 HydrophobicContact CE1-CB 4.11Å; F172-L217 HydrophobicContact CE1-CD2 3.47Å; F172-L217 VanDerWaalsContact CE1-CD2 3.47Å; F172-L217 HydrophobicContact CE1-CG 4.39Å; F172-L217 HydrophobicContact CE2-CD2 4.38Å; F172-L217 HydrophobicContact CZ-CD2 3.66Å; I182-L217 HydrophobicContact CB-CD1 4.44Å; I182-L217 HydrophobicContact CG1-CB 4.47Å; I182-L217 HydrophobicContact CG1-CD1 4.27Å; I182-L217 HydrophobicContact CG2-CD1 4.11Å; V185-L217 HydrophobicContact CB-CD1 3.78Å; V185-L217 HydrophobicContact CG1-CD1 3.81Å; V185-L217 HydrophobicContact CG1-CD2 4.16Å; V185-L217 HydrophobicContact CG2-CD1 4.31Å; L202-L217 HydrophobicContact CD1-CD2 4.39Å; T213-L217 WeakPolarHBondContact O-CB 3.45Å; T213-L217 PolarHBondContact O-N 3.31Å; V214-L217 PolarHBondContact O-N 2.84Å; F215-L217 VanDerWaalsContact C-N 3.35Å; F215-L217 PolarHBondContact O-N 3.33Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-D219 PolarHBondContact O-N 2.96Å; L217-E220 PolarHBondContact O-N 3.27Å; L217-L221 HydrophobicContact CD1-CD1 3.85Å; L217-L221 HydrophobicContact CD1-CG 4Å; L217-L221 HydrophobicContact CD2-CD1 4.41Å; L217-L221 HydrophobicContact CG-CD1 3.85Å; L217-L221 HydrophobicContact CG-CG 4.34Å; L217-L221 VanDerWaalsContact O-CG 3.3Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 3.29Å |
| 218 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | -179.4 | -71.6 | 177.1 | 0 | 0 | 0 | 111.6 | L202 V214 F215 E220 L221 L222 I230 A248 M251 I253 | L202-L218 HydrophobicContact CD1-CD2 3.72Å; V214-L218 HydrophobicContact CG1-CD1 3.75Å; V214-L218 HydrophobicContact CG1-CG 4.36Å; V214-L218 WeakPolarHBondContact O-CB 3.38Å; V214-L218 WeakPolarHBondContact O-CG 3.41Å; V214-L218 PolarHBondContact O-N 2.91Å; F215-L218 PolarHBondContact O-N 3.34Å; L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 3Å; L218-L222 VanDerWaalsContact O-CB 3.31Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 WeakPolarHBondContact O-CG 3.34Å; L218-L222 PolarHBondContact O-N 2.98Å; L218-I230 HydrophobicContact CD2-CD1 4.38Å; L218-I230 HydrophobicContact CD2-CG2 4.11Å; L218-A248 HydrophobicContact CD1-CB 3.99Å; L218-M251 HydrophobicContact CB-CE 3.48Å; L218-M251 VanDerWaalsContact CB-CE 3.48Å; L218-M251 HydrophobicContact CB-SD 3.53Å; L218-M251 VanDerWaalsContact CB-SD 3.53Å; L218-M251 HydrophobicContact CD1-CB 4.32Å; L218-M251 HydrophobicContact CD1-SD 3.8Å; L218-M251 HydrophobicContact CG-SD 4.3Å; L218-I253 HydrophobicContact CD1-CG1 4.08Å; L218-I253 HydrophobicContact CD2-CD1 4.28Å; L218-I253 HydrophobicContact CD2-CG1 4.19Å |
| 219 | D | 98 | Very high | 97.3 | Very high | 99 Ų | 99 | 45.7 Ų | 45.7 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 178.4 | -170.2 | 58.2 | 0 | 0 | 0 | 111.2 | F215 L217 M251 | F215-D219 HydrophobicContact CE1-CB 4.37Å; F215-D219 VanDerWaalsContact O-CB 3.28Å; F215-D219 WeakPolarHBondContact O-CB 3.41Å; F215-D219 PolarHBondContact O-N 2.88Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-D219 PolarHBondContact O-N 2.96Å; D219-M251 HydrophobicContact CB-CE 4.02Å; D219-M251 VanDerWaalsContact N-CE 3.31Å |
| 220 | E | 98 | Very high | 97.3 | Very high | 71 Ų | 71 | 45.8 Ų | 45.8 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -49 | 173.9 | -177.3 | 74.2 | -170.1 | 0 | 0 | 112 | I182 R186 A216 L217 L218 S223 | I182-E220 HydrophobicContact CG2-CB 3.53Å; I182-E220 HydrophobicContact CG2-CG 3.54Å; R186-E220 HydrophobicContact CB-CG 4.4Å; R186-E220 WeakPolarHBondContact CD-OE1 3.45Å; R186-E220 IonicContact CZ-OE1 3.46Å; R186-E220 IonicContact NE-OE1 3.9Å; R186-E220 IonicContact NH1-OE1 2.59Å; R186-E220 PolarHBondContact NH1-OE1 3.01Å; A216-E220 PolarHBondContact O-N 3.45Å; L217-E220 PolarHBondContact O-N 3.27Å; L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 3.48Å; E220-S223 WeakPolarHBondContact O-CB 3.36Å; E220-S223 PolarHBondContact O-N 2.94Å; E220-S223 PolarHBondContact O-OG 2.89Å |
| 221 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -35.4 | -173.2 | -68 | 179.9 | 0 | 0 | 0 | 112.9 | V185 R186 V189 L202 L217 L218 S223 V224 I225 I230 | V185-L221 HydrophobicContact CG1-CD1 4.43Å; R186-L221 HydrophobicContact CB-CD2 4.04Å; R186-L221 HydrophobicContact CG-CD2 4.48Å; V189-L221 HydrophobicContact CB-CD2 3.92Å; V189-L221 HydrophobicContact CG1-CD2 4.17Å; V189-L221 HydrophobicContact CG2-CD1 4.1Å; V189-L221 HydrophobicContact CG2-CD2 3.87Å; L202-L221 HydrophobicContact CD1-CD1 3.47Å; L202-L221 VanDerWaalsContact CD1-CD1 3.47Å; L202-L221 HydrophobicContact CD2-CD1 3.85Å; L202-L221 HydrophobicContact CG-CD1 4.3Å; L217-L221 HydrophobicContact CD1-CD1 3.85Å; L217-L221 HydrophobicContact CD1-CG 4Å; L217-L221 HydrophobicContact CD2-CD1 4.41Å; L217-L221 HydrophobicContact CG-CD1 3.85Å; L217-L221 HydrophobicContact CG-CG 4.34Å; L217-L221 VanDerWaalsContact O-CG 3.3Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 3.29Å; L218-L221 PolarHBondContact O-N 3Å; L221-S223 PolarHBondContact O-N 2.66Å; L221-S223 VanDerWaalsContact O-N 3.08Å; L221-V224 WeakPolarHBondContact O-CG2 3.49Å; L221-V224 PolarHBondContact O-N 3.17Å; L221-I225 WeakPolarHBondContact O-CG2 3.45Å; L221-I225 PolarHBondContact O-N 3.26Å; L221-I225 VanDerWaalsContact O-N 3.11Å; L221-I230 HydrophobicContact CB-CD1 4.11Å |
| 222 | L | 97 | Very high | 97.3 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.4 | 179.1 | -69.6 | -179.6 | 0 | 0 | 0 | 113.2 | L218 V224 P227 I230 M251 I253 | L218-L222 VanDerWaalsContact O-CB 3.31Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 WeakPolarHBondContact O-CG 3.34Å; L218-L222 PolarHBondContact O-N 2.98Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-P227 HydrophobicContact CD2-CB 3.86Å; L222-P227 HydrophobicContact CD2-CG 3.64Å; L222-I230 HydrophobicContact CD2-CD1 3.9Å; L222-M251 HydrophobicContact CD1-CB 4.16Å; L222-M251 HydrophobicContact CD1-CE 4.17Å; L222-M251 WeakPolarHBondContact CD1-O 3.39Å; L222-I253 HydrophobicContact CD2-CD1 4.31Å |
| 223 | S | 94 | Very high | 97.3 | Very high | 79 Ų | 79 | 38.8 Ų | 38.8 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.6 | 168.7 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | R186 E220 L221 | R186-S223 PolarHBondContact NH1-OG 3.3Å; E220-S223 WeakPolarHBondContact O-CB 3.36Å; E220-S223 PolarHBondContact O-N 2.94Å; E220-S223 PolarHBondContact O-OG 2.89Å; L221-S223 PolarHBondContact O-N 2.66Å; L221-S223 VanDerWaalsContact O-N 3.08Å |
| 224 | V | 92.7 | Very high | 97.4 | Very high | 42 Ų | 42 | 36 Ų | 36 | 26% | 0.255 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | -16.6 | -173.7 | -65.3 | 0 | 0 | 0 | 0 | 115.6 | E190 L221 L222 | E190-V224 HydrophobicContact CG-CB 4.32Å; E190-V224 HydrophobicContact CG-CG2 4.05Å; L221-V224 WeakPolarHBondContact O-CG2 3.49Å; L221-V224 PolarHBondContact O-N 3.17Å; L222-V224 VanDerWaalsContact C-N 3.32Å |
| 225 | I | 95.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -138.3 | 140.9 | 178.1 | -170.9 | 170.2 | 0 | 0 | 0 | 109.8 | V189 N193 V200 L221 R229 I230 | V189-I225 HydrophobicContact CG1-CB 4.49Å; V189-I225 HydrophobicContact CG1-CD1 4.17Å; V189-I225 HydrophobicContact CG1-CG2 3.93Å; N193-I225 HydrophobicContact CB-CD1 4.44Å; V200-I225 HydrophobicContact CG2-CD1 4.26Å; L221-I225 WeakPolarHBondContact O-CG2 3.45Å; L221-I225 PolarHBondContact O-N 3.26Å; L221-I225 VanDerWaalsContact O-N 3.11Å; I225-R229 HydrophobicContact CD1-CB 3.88Å; I225-R229 HydrophobicContact CG1-CB 3.87Å; I225-I230 HydrophobicContact CG2-CD1 3.6Å; I225-I230 HydrophobicContact CG2-CG1 3.78Å |
| 226 | S | 95.9 | Very high | 97.2 | Very high | 56 Ų | 56 | 33 Ų | 33 | 39% | 0.392 | 19% | 0.194 | S | C | . | . | trans | -59.9 | 140.1 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 111 | S228 R229 | S226-S228 PolarHBondContact O-N 3.08Å; S226-S228 VanDerWaalsContact O-N 3.11Å; S226-S228 PolarHBondContact OG-N 2.74Å; S226-S228 PolarHBondContact OG-OG 3Å; S226-R229 PolarHBondContact O-N 2.82Å | ||
| 227 | P | 96.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 29% | 0.286 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -51.6 | -33.7 | 171.9 | -18.6 | 22.4 | 0 | 0 | 0 | 113.2 | L222 R229 I230 I253 | L222-P227 HydrophobicContact CD2-CB 3.86Å; L222-P227 HydrophobicContact CD2-CG 3.64Å; P227-R229 PolarHBondContact O-N 3.14Å; P227-R229 VanDerWaalsContact O-N 3.16Å; P227-I230 PolarHBondContact O-N 3.22Å; P227-I230 VanDerWaalsContact O-N 3.14Å; P227-I253 HydrophobicContact CB-CD1 4.17Å |
| 228 | S | 96.2 | Very high | 96.7 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 63% | 0.629 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -67.8 | -9.4 | 179 | 63 | 0 | 0 | 0 | 0 | 114.9 | S226 | S226-S228 PolarHBondContact O-N 3.08Å; S226-S228 VanDerWaalsContact O-N 3.11Å; S226-S228 PolarHBondContact OG-N 2.74Å; S226-S228 PolarHBondContact OG-OG 3Å |
| 229 | R | 97.3 | Very high | 96.6 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -111 | 5 | 177.1 | -64.5 | 179.8 | 63.6 | -163 | -5.1 | 112.4 | N193 C197 S198 E199 V200 I225 S226 P227 | N193-R229 PolarHBondContact OD1-NH1 2.72Å; N193-R229 PolarHBondContact OD1-NH2 2.74Å; C197-R229 PolarHBondContact O-NH2 3.39Å; S198-R229 WeakPolarHBondContact O-CG 3.38Å; S198-R229 PolarHBondContact O-NE 2.68Å; E199-R229 CarbonylContact C-O 3.55Å; E199-R229 WeakPolarHBondContact CA-O 3.15Å; V200-R229 PolarHBondContact N-O 3.2Å; I225-R229 HydrophobicContact CD1-CB 3.88Å; I225-R229 HydrophobicContact CG1-CB 3.87Å; S226-R229 PolarHBondContact O-N 2.82Å; P227-R229 PolarHBondContact O-N 3.14Å; P227-R229 VanDerWaalsContact O-N 3.16Å |
| 230 | I | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.6 | 172.2 | -68.2 | 180 | 0 | 0 | 0 | 108.2 | V200 L202 L218 L221 L222 I225 P227 I253 | V200-I230 WeakPolarHBondContact O-CA 3.31Å; L202-I230 HydrophobicContact CD1-CG2 3.87Å; L202-I230 HydrophobicContact CG-CG2 4.29Å; L218-I230 HydrophobicContact CD2-CD1 4.38Å; L218-I230 HydrophobicContact CD2-CG2 4.11Å; L221-I230 HydrophobicContact CB-CD1 4.11Å; L222-I230 HydrophobicContact CD2-CD1 3.9Å; I225-I230 HydrophobicContact CG2-CD1 3.6Å; I225-I230 HydrophobicContact CG2-CG1 3.78Å; P227-I230 PolarHBondContact O-N 3.22Å; P227-I230 VanDerWaalsContact O-N 3.14Å; I230-I253 HydrophobicContact CB-CD1 3.73Å; I230-I253 HydrophobicContact CD1-CD1 4.42Å; I230-I253 HydrophobicContact CG2-CD1 3.63Å; I230-I253 HydrophobicContact CG2-CG1 4.28Å; I230-I253 HydrophobicContact CG2-CG2 4.42Å |
| 231 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 164.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | E199 V200 S201 L202 T255 | E199-A231 HydrophobicContact CG-CB 4.06Å; V200-A231 PolarHBondContact O-N 2.81Å; S201-A231 WeakPolarHBondContact CA-O 3.15Å; L202-A231 PolarHBondContact N-O 2.8Å; A231-T255 VanDerWaalsContact CA-O 3.24Å; A231-T255 WeakPolarHBondContact CA-O 3.25Å; A231-T255 HydrophobicContact CB-CG2 3.64Å |
| 232 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.5 | 174.1 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | F234 A248 I253 T255 I256 D257 | V232-F234 HydrophobicContact CB-CD2 4.16Å; V232-F234 HydrophobicContact CB-CE1 4.46Å; V232-F234 HydrophobicContact CB-CE2 3.54Å; V232-F234 HydrophobicContact CB-CZ 3.71Å; V232-F234 HydrophobicContact CG1-CE2 4.05Å; V232-F234 HydrophobicContact CG1-CZ 3.83Å; V232-F234 HydrophobicContact CG2-CD2 4.12Å; V232-F234 HydrophobicContact CG2-CE2 3.57Å; V232-F234 HydrophobicContact CG2-CZ 4.22Å; V232-A248 HydrophobicContact CG1-CB 4.11Å; V232-A248 HydrophobicContact CG2-CB 3.94Å; V232-I253 HydrophobicContact CG1-CG2 4.27Å; V232-I253 HydrophobicContact CG2-CG2 4.24Å; V232-T255 PolarHBondContact N-O 3.25Å; V232-T255 VanDerWaalsContact N-O 3.13Å; V232-I256 HydrophobicContact CG2-CD1 3.3Å; V232-I256 HydrophobicContact CG2-CG2 4.45Å; V232-D257 PolarHBondContact O-N 3.13Å |
| 233 | H | 98.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 100.8 | 179.8 | 178.1 | 105.3 | 0 | 0 | 0 | 108.3 | D23 L202 A203 D204 H235 D257 N275 | D23-H233 IonicContact OD2-CE1 3.66Å; L202-H233 PolarHBondContact O-N 3.37Å; A203-H233 CarbonylContact C-O 3.5Å; A203-H233 VanDerWaalsContact CA-O 3.29Å; A203-H233 WeakPolarHBondContact CA-O 3.41Å; A203-H233 HydrophobicContact CB-CB 4.06Å; D204-H233 PolarHBondContact N-O 2.86Å; H233-H235 AromaticContact CD2-CD2 3.85Å; H233-H235 AromaticContact NE2-CD2 3.34Å; H233-H235 PolarHBondContact NE2-CD2 3Å; H233-H235 VanDerWaalsContact NE2-CD2 3.34Å; H233-H235 AromaticContact NE2-NE2 3.23Å; H233-H235 PolarHBondContact NE2-NE2 3.16Å; H233-D257 HydrophobicContact CB-CB 3.8Å; H233-D257 WeakPolarHBondContact ND1-CB 3.49Å; H233-D257 IonicContact ND1-OD2 2.71Å; H233-N275 PolarHBondContact CE1-OD1 3.01Å; H233-N275 PolarHBondContact NE2-OD1 3.44Å; H233-N275 VanDerWaalsContact NE2-OD1 3.15Å |
| 234 | F | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.2 | -177 | -61.6 | -57.6 | 0 | 0 | 0 | 110.7 | F172 D204 V214 V232 A241 N244 V245 A248 L276 | F172-F234 HydrophobicContact CD2-CE1 4.25Å; F172-F234 HydrophobicContact CE1-CE1 4.41Å; F172-F234 HydrophobicContact CE2-CD1 4.29Å; F172-F234 AromaticContact CE2-CE1 3.57Å; F172-F234 HydrophobicContact CE2-CE1 3.57Å; F172-F234 HydrophobicContact CE2-CZ 4.49Å; F172-F234 AromaticContact CZ-CE1 3.66Å; F172-F234 HydrophobicContact CZ-CE1 3.66Å; F172-F234 HydrophobicContact CZ-CZ 4.24Å; D204-F234 HydrophobicContact CB-CD1 3.76Å; D204-F234 HydrophobicContact CB-CE1 4.46Å; V214-F234 HydrophobicContact CG1-CZ 3.86Å; V214-F234 HydrophobicContact CG2-CE1 3.74Å; V214-F234 HydrophobicContact CG2-CZ 3.79Å; V232-F234 HydrophobicContact CB-CD2 4.16Å; V232-F234 HydrophobicContact CB-CE1 4.46Å; V232-F234 HydrophobicContact CB-CE2 3.54Å; V232-F234 HydrophobicContact CB-CZ 3.71Å; V232-F234 HydrophobicContact CG1-CE2 4.05Å; V232-F234 HydrophobicContact CG1-CZ 3.83Å; V232-F234 HydrophobicContact CG2-CD2 4.12Å; V232-F234 HydrophobicContact CG2-CE2 3.57Å; V232-F234 HydrophobicContact CG2-CZ 4.22Å; F234-A241 HydrophobicContact CB-CB 3.95Å; F234-N244 HydrophobicContact CD1-CB 3.94Å; F234-N244 HydrophobicContact CD2-CB 3.63Å; F234-N244 HydrophobicContact CE1-CB 3.96Å; F234-N244 VanDerWaalsContact CE2-C 3.48Å; F234-N244 HydrophobicContact CE2-CB 3.63Å; F234-N244 HydrophobicContact CG-CB 3.79Å; F234-N244 HydrophobicContact CZ-CB 3.82Å; F234-V245 HydrophobicContact CD2-CG2 3.79Å; F234-V245 HydrophobicContact CE2-CG2 4.35Å; F234-A248 HydrophobicContact CE2-CB 4.34Å; F234-L276 WeakPolarHBondContact O-CB 3.33Å; F234-L276 PolarHBondContact O-N 3.04Å |
| 235 | H | 96.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -72.8 | 146.4 | 165.4 | -77.2 | -167.1 | 0 | 0 | 0 | 110.7 | D204 T205 G207 H233 T237 G274 N275 | D204-H235 WeakPolarHBondContact O-CB 3.47Å; D204-H235 PolarHBondContact O-N 3.22Å; T205-H235 PolarHBondContact O-CE1 3.5Å; T205-H235 PolarHBondContact O-ND1 2.97Å; G207-H235 WeakPolarHBondContact CA-O 3.47Å; H233-H235 AromaticContact CD2-CD2 3.85Å; H233-H235 AromaticContact NE2-CD2 3.34Å; H233-H235 PolarHBondContact NE2-CD2 3Å; H233-H235 VanDerWaalsContact NE2-CD2 3.34Å; H233-H235 AromaticContact NE2-NE2 3.23Å; H233-H235 PolarHBondContact NE2-NE2 3.16Å; H235-T237 VanDerWaalsContact C-N 3.32Å; H235-G274 CarbonylContact C-O 3.51Å; H235-G274 WeakPolarHBondContact CA-O 3.39Å; H235-G274 VanDerWaalsContact CB-O 3.25Å; H235-G274 WeakPolarHBondContact CB-O 3.37Å; H235-N275 PolarHBondContact CD2-OD1 3.23Å; H235-N275 PolarHBondContact NE2-OD1 2.8Å |
| 236 | N | 96 | Very high | 97.3 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -94.6 | 16.2 | -179.8 | -156.8 | 32.9 | 0 | 0 | 0 | 113.4 | Y238 G239 A241 T273 G274 | N236-Y238 PolarHBondContact O-N 3.09Å; N236-Y238 VanDerWaalsContact O-N 3.09Å; N236-G239 PolarHBondContact O-N 3.33Å; N236-G239 VanDerWaalsContact OD1-CA 3.26Å; N236-G239 WeakPolarHBondContact OD1-CA 3.36Å; N236-A241 HydrophobicContact CB-CB 3.79Å; N236-A241 WeakPolarHBondContact OD1-CB 3.37Å; N236-A241 PolarHBondContact OD1-N 2.8Å; N236-T273 PolarHBondContact O-OG1 3.35Å; N236-G274 PolarHBondContact N-O 2.89Å | ||
| 237 | T | 93.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 10% | 0.104 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -38.2 | -174.9 | -53.4 | 0 | 0 | 0 | 0 | 113.4 | I206 H235 V269 A272 T273 | I206-T237 WeakPolarHBondContact O-CB 3.42Å; H235-T237 VanDerWaalsContact C-N 3.32Å; T237-V269 HydrophobicContact CG2-CB 4.2Å; T237-V269 HydrophobicContact CG2-CG1 4.49Å; T237-V269 HydrophobicContact CG2-CG2 4.08Å; T237-A272 HydrophobicContact CG2-CB 3.36Å; T237-T273 VanDerWaalsContact CA-O 3.23Å; T237-T273 WeakPolarHBondContact CA-O 3.38Å; T237-T273 VanDerWaalsContact CA-OG1 3.27Å; T237-T273 WeakPolarHBondContact CA-OG1 3.43Å; T237-T273 WeakPolarHBondContact CB-O 3.17Å; T237-T273 PolarHBondContact N-O 3.22Å; T237-T273 PolarHBondContact N-OG1 3.41Å; T237-T273 PolarHBondContact OG1-O 3.12Å |
| 238 | Y | 94.4 | Very high | 97.5 | Very high | 129 Ų | 129 | 31 Ų | 31 | 51% | 0.506 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 23.1 | 177.5 | -62.9 | -90.6 | 0 | 0 | 0 | 113.2 | I206 G207 V208 N236 Q240 | I206-Y238 WeakPolarHBondContact O-CE2 3.45Å; G207-Y238 WeakPolarHBondContact O-CB 3.48Å; G207-Y238 VanDerWaalsContact O-CD2 3.29Å; G207-Y238 WeakPolarHBondContact O-CD2 3.17Å; V208-Y238 HydrophobicContact CG1-CD2 3.99Å; V208-Y238 HydrophobicContact CG1-CE2 3.63Å; N236-Y238 PolarHBondContact O-N 3.09Å; N236-Y238 VanDerWaalsContact O-N 3.09Å; Y238-Q240 VanDerWaalsContact C-N 3.27Å; Y238-Q240 PolarHBondContact O-N 2.74Å; Y238-Q240 PolarHBondContact O-NE2 3.24Å |
| 239 | G | 95.1 | Very high | 97.5 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 52% | 0.515 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 70.4 | 16.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N236 | N236-G239 PolarHBondContact O-N 3.33Å; N236-G239 VanDerWaalsContact OD1-CA 3.26Å; N236-G239 WeakPolarHBondContact OD1-CA 3.36Å |
| 240 | Q | 97.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 25.8 Ų | 25.8 | 29% | 0.285 | 15% | 0.148 | S | C | . | . | trans | -94.6 | -10.2 | -173.5 | -57.7 | -55.4 | -62.3 | 0 | 0 | 113.9 | G209 Y238 L242 A243 N244 | G209-Q240 WeakPolarHBondContact O-CB 3.36Å; G209-Q240 WeakPolarHBondContact O-CG 3.41Å; Y238-Q240 VanDerWaalsContact C-N 3.27Å; Y238-Q240 PolarHBondContact O-N 2.74Å; Y238-Q240 PolarHBondContact O-NE2 3.24Å; Q240-L242 PolarHBondContact O-N 3.39Å; Q240-A243 PolarHBondContact O-N 3.14Å; Q240-N244 WeakPolarHBondContact O-CB 3.49Å; Q240-N244 PolarHBondContact O-N 2.77Å; Q240-N244 PolarHBondContact O-ND2 3.49Å | ||
| 241 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -51.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F234 N236 A243 N244 V245 L276 | F234-A241 HydrophobicContact CB-CB 3.95Å; N236-A241 HydrophobicContact CB-CB 3.79Å; N236-A241 WeakPolarHBondContact OD1-CB 3.37Å; N236-A241 PolarHBondContact OD1-N 2.8Å; A241-A243 PolarHBondContact O-N 3.16Å; A241-N244 WeakPolarHBondContact O-CB 3.38Å; A241-N244 PolarHBondContact O-N 3.15Å; A241-V245 WeakPolarHBondContact O-CG2 3.29Å; A241-V245 PolarHBondContact O-N 2.81Å; A241-L276 HydrophobicContact CB-CB 3.99Å; A241-L276 HydrophobicContact CB-CD1 3.95Å; A241-L276 HydrophobicContact CB-CD2 4.4Å; A241-L276 HydrophobicContact CB-CG 4.33Å |
| 242 | L | 98.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 28% | 0.277 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66 | -37.2 | 179.6 | -72.9 | 178.3 | 0 | 0 | 0 | 112.9 | Q240 N244 V245 L246 L276 D280 M284 | Q240-L242 PolarHBondContact O-N 3.39Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 3.05Å; L242-V245 PolarHBondContact O-N 3Å; L242-L246 PolarHBondContact O-N 3.21Å; L242-L276 HydrophobicContact CD2-CD1 3.73Å; L242-L276 HydrophobicContact CD2-CD2 4.02Å; L242-L276 HydrophobicContact CD2-CG 4.48Å; L242-L276 HydrophobicContact CG-CD1 3.82Å; L242-D280 HydrophobicContact CD1-CB 4.21Å; L242-M284 HydrophobicContact CB-SD 4.13Å; L242-M284 HydrophobicContact CD2-CB 4.32Å; L242-M284 HydrophobicContact CD2-CE 3.93Å; L242-M284 HydrophobicContact CD2-SD 3.94Å |
| 243 | A | 98.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P211 Q240 A241 L246 V247 | P211-A243 HydrophobicContact CG-CB 3.95Å; Q240-A243 PolarHBondContact O-N 3.14Å; A241-A243 PolarHBondContact O-N 3.16Å; A243-L246 PolarHBondContact O-N 3.37Å; A243-V247 PolarHBondContact O-N 3.22Å |
| 244 | N | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -39.7 | 174.7 | -70.4 | -16.7 | 0 | 0 | 0 | 112.1 | G209 T210 P211 V214 F234 Q240 A241 L242 L246 V247 A248 | G209-N244 VanDerWaalsContact C-ND2 3.35Å; G209-N244 PolarHBondContact O-ND2 3.33Å; T210-N244 WeakPolarHBondContact CA-OD1 3.14Å; T210-N244 PolarHBondContact O-OD1 3.23Å; P211-N244 WeakPolarHBondContact CD-OD1 3.14Å; P211-N244 VanDerWaalsContact N-OD1 3.07Å; V214-N244 HydrophobicContact CG2-CB 3.84Å; F234-N244 HydrophobicContact CD1-CB 3.94Å; F234-N244 HydrophobicContact CD2-CB 3.63Å; F234-N244 HydrophobicContact CE1-CB 3.96Å; F234-N244 VanDerWaalsContact CE2-C 3.48Å; F234-N244 HydrophobicContact CE2-CB 3.63Å; F234-N244 HydrophobicContact CG-CB 3.79Å; F234-N244 HydrophobicContact CZ-CB 3.82Å; Q240-N244 WeakPolarHBondContact O-CB 3.49Å; Q240-N244 PolarHBondContact O-N 2.77Å; Q240-N244 PolarHBondContact O-ND2 3.49Å; A241-N244 WeakPolarHBondContact O-CB 3.38Å; A241-N244 PolarHBondContact O-N 3.15Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 3.05Å; N244-L246 VanDerWaalsContact C-N 3.35Å; N244-V247 PolarHBondContact O-N 3.42Å; N244-A248 PolarHBondContact O-N 2.94Å |
| 245 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | F234 A241 L242 V247 A248 L249 I256 L276 L281 M284 | F234-V245 HydrophobicContact CD2-CG2 3.79Å; F234-V245 HydrophobicContact CE2-CG2 4.35Å; A241-V245 WeakPolarHBondContact O-CG2 3.29Å; A241-V245 PolarHBondContact O-N 2.81Å; L242-V245 PolarHBondContact O-N 3Å; V245-V247 VanDerWaalsContact C-N 3.29Å; V245-V247 PolarHBondContact O-N 3.45Å; V245-A248 WeakPolarHBondContact O-CB 3.4Å; V245-A248 PolarHBondContact O-N 3.42Å; V245-L249 HydrophobicContact CG1-CD1 3.86Å; V245-L249 HydrophobicContact CG1-CG 3.98Å; V245-L249 WeakPolarHBondContact O-CG 3.36Å; V245-L249 PolarHBondContact O-N 2.83Å; V245-I256 HydrophobicContact CG1-CD1 4.02Å; V245-I256 HydrophobicContact CG1-CG1 4.24Å; V245-I256 HydrophobicContact CG1-CG2 4.37Å; V245-I256 HydrophobicContact CG2-CG2 3.87Å; V245-L276 HydrophobicContact CG2-CD2 3.78Å; V245-L281 HydrophobicContact CG1-CD1 3.91Å; V245-M284 HydrophobicContact CB-CE 3.96Å; V245-M284 HydrophobicContact CG1-CE 3.49Å; V245-M284 VanDerWaalsContact CG1-CE 3.49Å |
| 246 | L | 98.1 | Very high | 97.4 | Very high | 74 Ų | 74 | 29.7 Ų | 29.7 | 39% | 0.387 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 179.7 | -173.7 | 66.6 | 0 | 0 | 0 | 112 | I9 L242 A243 N244 L249 S250 L288 | I9-L246 HydrophobicContact CD1-CD1 3.47Å; I9-L246 VanDerWaalsContact CD1-CD1 3.47Å; I9-L246 HydrophobicContact CD1-CG 4.47Å; L242-L246 PolarHBondContact O-N 3.21Å; A243-L246 PolarHBondContact O-N 3.37Å; N244-L246 VanDerWaalsContact C-N 3.35Å; L246-L249 PolarHBondContact O-N 2.8Å; L246-S250 PolarHBondContact O-N 2.89Å; L246-L288 HydrophobicContact CD1-CD1 3.93Å |
| 247 | V | 98.2 | Very high | 97.5 | Very high | 23 Ų | 23 | 29 Ų | 29 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -49.5 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | P211 V214 F215 A243 N244 V245 L249 S250 M251 | P211-V247 HydrophobicContact CB-CG2 3.65Å; P211-V247 HydrophobicContact CG-CG2 4.48Å; V214-V247 HydrophobicContact CB-CG1 4.28Å; V214-V247 HydrophobicContact CG1-CB 4.12Å; V214-V247 HydrophobicContact CG1-CG1 3.88Å; F215-V247 HydrophobicContact CB-CG1 3.91Å; F215-V247 HydrophobicContact CD2-CG1 4.48Å; A243-V247 PolarHBondContact O-N 3.22Å; N244-V247 PolarHBondContact O-N 3.42Å; V245-V247 VanDerWaalsContact C-N 3.29Å; V245-V247 PolarHBondContact O-N 3.45Å; V247-L249 VanDerWaalsContact C-N 3.32Å; V247-L249 PolarHBondContact O-N 2.77Å; V247-S250 WeakPolarHBondContact O-CB 3.21Å; V247-S250 PolarHBondContact O-N 2.92Å; V247-S250 VanDerWaalsContact O-N 3.1Å; V247-S250 PolarHBondContact O-OG 3.16Å; V247-M251 HydrophobicContact CG1-SD 4.02Å; V247-M251 WeakPolarHBondContact O-CG 3.23Å; V247-M251 PolarHBondContact O-N 2.78Å; V247-M251 VanDerWaalsContact O-N 3.12Å |
| 248 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L218 V232 F234 N244 V245 S250 M251 G252 I253 | L218-A248 HydrophobicContact CD1-CB 3.99Å; V232-A248 HydrophobicContact CG1-CB 4.11Å; V232-A248 HydrophobicContact CG2-CB 3.94Å; F234-A248 HydrophobicContact CE2-CB 4.34Å; N244-A248 PolarHBondContact O-N 2.94Å; V245-A248 WeakPolarHBondContact O-CB 3.4Å; V245-A248 PolarHBondContact O-N 3.42Å; A248-S250 PolarHBondContact O-N 3.47Å; A248-M251 CarbonylContact O-C 3.56Å; A248-M251 PolarHBondContact O-N 3.01Å; A248-M251 VanDerWaalsContact O-N 3.1Å; A248-G252 PolarHBondContact O-N 2.75Å; A248-I253 HydrophobicContact CB-CB 4.02Å; A248-I253 HydrophobicContact CB-CG1 4.14Å; A248-I253 HydrophobicContact CB-CG2 4.47Å; A248-I253 WeakPolarHBondContact O-CB 3.34Å; A248-I253 WeakPolarHBondContact O-CG1 3.36Å; A248-I253 PolarHBondContact O-N 3.35Å |
| 249 | L | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 175.5 | -69.5 | 174.7 | 0 | 0 | 0 | 111.9 | I9 V14 V245 L246 V247 M251 G252 R254 I256 M284 L285 L288 I290 | I9-L249 HydrophobicContact CG2-CB 4.14Å; V14-L249 HydrophobicContact CG2-CD2 3.6Å; V245-L249 HydrophobicContact CG1-CD1 3.86Å; V245-L249 HydrophobicContact CG1-CG 3.98Å; V245-L249 WeakPolarHBondContact O-CG 3.36Å; V245-L249 PolarHBondContact O-N 2.83Å; L246-L249 PolarHBondContact O-N 2.8Å; V247-L249 VanDerWaalsContact C-N 3.32Å; V247-L249 PolarHBondContact O-N 2.77Å; L249-M251 PolarHBondContact O-N 2.84Å; L249-G252 PolarHBondContact O-N 3.03Å; L249-G252 VanDerWaalsContact O-N 3.13Å; L249-R254 PolarHBondContact O-NH1 2.98Å; L249-R254 PolarHBondContact O-NH2 3.16Å; L249-I256 HydrophobicContact CD2-CD1 4.5Å; L249-M284 HydrophobicContact CD1-CE 4.13Å; L249-L285 HydrophobicContact CD1-CD2 3.85Å; L249-L285 HydrophobicContact CD2-CD2 4.46Å; L249-L288 HydrophobicContact CD1-CD1 4.26Å; L249-I290 HydrophobicContact CD1-CD1 4.24Å |
| 250 | S | 96.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 19.6 Ų | 19.6 | 35% | 0.35 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -64.2 | -23.7 | 176.6 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | L246 V247 A248 | L246-S250 PolarHBondContact O-N 2.89Å; V247-S250 WeakPolarHBondContact O-CB 3.21Å; V247-S250 PolarHBondContact O-N 2.92Å; V247-S250 VanDerWaalsContact O-N 3.1Å; V247-S250 PolarHBondContact O-OG 3.16Å; A248-S250 PolarHBondContact O-N 3.47Å |
| 251 | M | 96.8 | Very high | 98 | Very high | 27 Ų | 27 | 16.7 Ų | 16.7 | 13% | 0.133 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 8.1 | 177.7 | -61.6 | -174.4 | 76.9 | 0 | 0 | 113.4 | F215 L218 D219 L222 V247 A248 L249 | F215-M251 HydrophobicContact CB-SD 4.37Å; F215-M251 HydrophobicContact CD2-CE 4.06Å; F215-M251 HydrophobicContact CD2-CG 4.42Å; F215-M251 HydrophobicContact CD2-SD 3.65Å; F215-M251 HydrophobicContact CE2-CE 4.18Å; F215-M251 HydrophobicContact CE2-SD 4.25Å; F215-M251 HydrophobicContact CG-SD 4.26Å; L218-M251 HydrophobicContact CB-CE 3.48Å; L218-M251 VanDerWaalsContact CB-CE 3.48Å; L218-M251 HydrophobicContact CB-SD 3.53Å; L218-M251 VanDerWaalsContact CB-SD 3.53Å; L218-M251 HydrophobicContact CD1-CB 4.32Å; L218-M251 HydrophobicContact CD1-SD 3.8Å; L218-M251 HydrophobicContact CG-SD 4.3Å; D219-M251 HydrophobicContact CB-CE 4.02Å; D219-M251 VanDerWaalsContact N-CE 3.31Å; L222-M251 HydrophobicContact CD1-CB 4.16Å; L222-M251 HydrophobicContact CD1-CE 4.17Å; L222-M251 WeakPolarHBondContact CD1-O 3.39Å; V247-M251 HydrophobicContact CG1-SD 4.02Å; V247-M251 WeakPolarHBondContact O-CG 3.23Å; V247-M251 PolarHBondContact O-N 2.78Å; V247-M251 VanDerWaalsContact O-N 3.12Å; A248-M251 CarbonylContact O-C 3.56Å; A248-M251 PolarHBondContact O-N 3.01Å; A248-M251 VanDerWaalsContact O-N 3.1Å; L249-M251 PolarHBondContact O-N 2.84Å |
| 252 | G | 96.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 16.7 Ų | 16.7 | 33% | 0.33 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 5.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | A248 L249 R254 | A248-G252 PolarHBondContact O-N 2.75Å; L249-G252 PolarHBondContact O-N 3.03Å; L249-G252 VanDerWaalsContact O-N 3.13Å; G252-R254 VanDerWaalsContact C-NH1 3.3Å |
| 253 | I | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -70.8 | 132.9 | 174.3 | -53.8 | -49.3 | 0 | 0 | 0 | 109.2 | L218 L222 P227 I230 V232 A248 I256 | L218-I253 HydrophobicContact CD1-CG1 4.08Å; L218-I253 HydrophobicContact CD2-CD1 4.28Å; L218-I253 HydrophobicContact CD2-CG1 4.19Å; L222-I253 HydrophobicContact CD2-CD1 4.31Å; P227-I253 HydrophobicContact CB-CD1 4.17Å; I230-I253 HydrophobicContact CB-CD1 3.73Å; I230-I253 HydrophobicContact CD1-CD1 4.42Å; I230-I253 HydrophobicContact CG2-CD1 3.63Å; I230-I253 HydrophobicContact CG2-CG1 4.28Å; I230-I253 HydrophobicContact CG2-CG2 4.42Å; V232-I253 HydrophobicContact CG1-CG2 4.27Å; V232-I253 HydrophobicContact CG2-CG2 4.24Å; A248-I253 HydrophobicContact CB-CB 4.02Å; A248-I253 HydrophobicContact CB-CG1 4.14Å; A248-I253 HydrophobicContact CB-CG2 4.47Å; A248-I253 WeakPolarHBondContact O-CB 3.34Å; A248-I253 WeakPolarHBondContact O-CG1 3.36Å; A248-I253 PolarHBondContact O-N 3.35Å; I253-I256 HydrophobicContact CG2-CD1 4.4Å | ||
| 254 | R | 97.9 | Very high | 97.1 | Very high | 32 Ų | 32 | 12.5 Ų | 12.5 | 12% | 0.121 | 8% | 0.078 | C | C | . | . | trans | -129.5 | 4.4 | -175.8 | -66.9 | -65.1 | 176.7 | -82 | 9 | 114.5 | S10 D12 V14 T15 L249 G252 | S10-R254 PolarHBondContact O-NH2 3.28Å; D12-R254 WeakPolarHBondContact O-CD 3.22Å; D12-R254 PolarHBondContact O-NE 2.92Å; V14-R254 CarbonylContact C-O 3.47Å; V14-R254 WeakPolarHBondContact CA-O 3.35Å; T15-R254 PolarHBondContact N-O 3.49Å; L249-R254 PolarHBondContact O-NH1 2.98Å; L249-R254 PolarHBondContact O-NH2 3.16Å; G252-R254 VanDerWaalsContact C-NH1 3.3Å | ||
| 255 | T | 98.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 13.5 Ų | 13.5 | 9% | 0.092 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.7 | 170 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | T15 V17 E199 A231 V232 | T15-T255 WeakPolarHBondContact O-CA 3.47Å; V17-T255 HydrophobicContact CG2-CG2 3.52Å; E199-T255 VanDerWaalsContact OE2-CB 3.28Å; E199-T255 WeakPolarHBondContact OE2-CB 3.21Å; E199-T255 WeakPolarHBondContact OE2-CG2 3.32Å; E199-T255 PolarHBondContact OE2-OG1 3.01Å; A231-T255 VanDerWaalsContact CA-O 3.24Å; A231-T255 WeakPolarHBondContact CA-O 3.25Å; A231-T255 HydrophobicContact CB-CG2 3.64Å; V232-T255 PolarHBondContact N-O 3.25Å; V232-T255 VanDerWaalsContact N-O 3.13Å |
| 256 | I | 98.8 | Very high | 95 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.6 | -177.5 | -47.4 | -63 | 0 | 0 | 0 | 109.3 | V14 T15 V16 V17 V232 V245 L249 I253 L281 | V14-I256 HydrophobicContact CG1-CG1 3.91Å; T15-I256 PolarHBondContact O-N 3.15Å; V16-I256 WeakPolarHBondContact CA-O 3.17Å; V17-I256 PolarHBondContact N-O 3.43Å; V232-I256 HydrophobicContact CG2-CD1 3.3Å; V232-I256 HydrophobicContact CG2-CG2 4.45Å; V245-I256 HydrophobicContact CG1-CD1 4.02Å; V245-I256 HydrophobicContact CG1-CG1 4.24Å; V245-I256 HydrophobicContact CG1-CG2 4.37Å; V245-I256 HydrophobicContact CG2-CG2 3.87Å; L249-I256 HydrophobicContact CD2-CD1 4.5Å; I253-I256 HydrophobicContact CG2-CD1 4.4Å; I256-L281 HydrophobicContact CB-CD2 3.98Å; I256-L281 HydrophobicContact CG2-CD1 4.22Å; I256-L281 HydrophobicContact CG2-CD2 3.67Å |
| 257 | D | 98.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.8 | 177.1 | -57.2 | -8.6 | 0 | 0 | 0 | 109.2 | V17 V19 R165 Y167 S201 V232 H233 | V17-D257 VanDerWaalsContact CB-OD1 3.3Å; V17-D257 WeakPolarHBondContact CB-OD1 3.48Å; V17-D257 WeakPolarHBondContact O-CA 3.3Å; V19-D257 HydrophobicContact CG1-CB 4.34Å; R165-D257 IonicContact CZ-OD1 3.4Å; R165-D257 IonicContact CZ-OD2 2.67Å; R165-D257 IonicContact NE-OD2 3.98Å; R165-D257 IonicContact NH2-OD1 3.84Å; R165-D257 PolarHBondContact NH2-OD1 3.21Å; R165-D257 IonicContact NH2-OD2 3.57Å; R165-D257 PolarHBondContact NH2-OD2 2.59Å; Y167-D257 WeakPolarHBondContact CE1-OD2 3.29Å; S201-D257 WeakPolarHBondContact CB-OD2 3.42Å; S201-D257 PolarHBondContact OG-OD2 2.82Å; V232-D257 PolarHBondContact O-N 3.13Å; H233-D257 HydrophobicContact CB-CB 3.8Å; H233-D257 WeakPolarHBondContact ND1-CB 3.49Å; H233-D257 IonicContact ND1-OD2 2.71Å |
| 258 | S | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 167.2 | 178.2 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | V16 V17 E18 V19 L276 T278 | V16-S258 VanDerWaalsContact CG1-OG 3.23Å; V16-S258 WeakPolarHBondContact CG1-OG 2.93Å; V17-S258 PolarHBondContact O-N 3.14Å; V17-S258 VanDerWaalsContact O-N 3.12Å; E18-S258 WeakPolarHBondContact CA-O 3.37Å; V19-S258 WeakPolarHBondContact CG2-O 3.44Å; V19-S258 PolarHBondContact N-O 2.7Å; S258-L276 WeakPolarHBondContact CA-O 3.36Å; S258-L276 WeakPolarHBondContact CB-O 3.21Å; S258-T278 WeakPolarHBondContact CB-OG1 3.46Å; S258-T278 WeakPolarHBondContact OG-CA 3.33Å; S258-T278 WeakPolarHBondContact OG-CB 3.48Å; S258-T278 WeakPolarHBondContact OG-CG2 3.2Å; S258-T278 PolarHBondContact OG-OG1 3.19Å |
| 259 | S | 98 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -128.2 | 126 | -175.1 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | E18 G20 A261 G262 L263 L276 A277 T278 | E18-S259 VanDerWaalsContact OE1-CA 3.32Å; E18-S259 WeakPolarHBondContact OE1-CA 3.45Å; G20-S259 VanDerWaalsContact CA-OG 3.25Å; G20-S259 WeakPolarHBondContact CA-OG 3.27Å; S259-A261 PolarHBondContact O-N 3.12Å; S259-G262 WeakPolarHBondContact O-CA 3.42Å; S259-G262 PolarHBondContact O-N 2.89Å; S259-L263 WeakPolarHBondContact CB-O 3.27Å; S259-L263 WeakPolarHBondContact OG-CA 3.47Å; S259-L263 VanDerWaalsContact OG-CB 3.29Å; S259-L263 WeakPolarHBondContact OG-CB 3.45Å; S259-L263 PolarHBondContact OG-N 3.39Å; S259-L263 VanDerWaalsContact OG-N 3.14Å; S259-L263 PolarHBondContact OG-O 3.07Å; S259-L276 PolarHBondContact N-O 3.27Å; S259-A277 VanDerWaalsContact O-CA 3.31Å; S259-A277 WeakPolarHBondContact O-CA 3.49Å; S259-T278 PolarHBondContact N-OG1 3.15Å; S259-T278 PolarHBondContact O-N 3.48Å; S259-T278 PolarHBondContact O-OG1 2.64Å |
| 260 | V | 98 | Very high | 89 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -50 | 139.6 | 175.3 | 62.1 | 0 | 0 | 0 | 0 | 109.9 | E18 L40 L44 G262 L263 T278 L299 T302 I306 | E18-V260 VanDerWaalsContact CD-N 3.28Å; E18-V260 PolarHBondContact OE1-N 3.15Å; E18-V260 PolarHBondContact OE2-N 2.82Å; L40-V260 HydrophobicContact CD1-CG1 4.33Å; L44-V260 HydrophobicContact CD2-CB 3.92Å; L44-V260 HydrophobicContact CD2-CG1 4.3Å; L44-V260 HydrophobicContact CD2-CG2 3.99Å; V260-G262 PolarHBondContact O-N 3.21Å; V260-L263 HydrophobicContact CG1-CD1 3.91Å; V260-L263 HydrophobicContact CG1-CG 4.22Å; V260-L263 WeakPolarHBondContact O-CB 3.39Å; V260-L263 WeakPolarHBondContact O-CG 3.41Å; V260-L263 PolarHBondContact O-N 3.11Å; V260-T278 PolarHBondContact N-OG1 3.36Å; V260-L299 HydrophobicContact CG2-CD1 4.21Å; V260-T302 HydrophobicContact CG2-CG2 4.27Å; V260-I306 HydrophobicContact CG2-CG2 4.48Å |
| 261 | A | 96.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 54.6 | 12.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S259 L263 E279 S303 I306 P314 Q315 | S259-A261 PolarHBondContact O-N 3.12Å; A261-L263 VanDerWaalsContact C-N 3.33Å; A261-L263 HydrophobicContact CB-CD2 4.41Å; A261-L263 HydrophobicContact CB-CG 4.49Å; A261-E279 WeakPolarHBondContact CA-OE1 3.31Å; A261-E279 PolarHBondContact N-OE1 3.07Å; A261-E279 PolarHBondContact N-OE2 3Å; A261-E279 VanDerWaalsContact N-OE2 3.16Å; A261-S303 VanDerWaalsContact CA-OG 3.22Å; A261-S303 WeakPolarHBondContact CA-OG 3.28Å; A261-S303 WeakPolarHBondContact CB-OG 3.36Å; A261-I306 HydrophobicContact CB-CG2 4.12Å; A261-P314 HydrophobicContact CB-CB 4.12Å; A261-Q315 WeakPolarHBondContact O-CB 3.41Å; A261-Q315 PolarHBondContact O-N 3.32Å |
| 262 | G | 95.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | 57.1 | 43.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 112 | S259 V260 Q315 | S259-G262 WeakPolarHBondContact O-CA 3.42Å; S259-G262 PolarHBondContact O-N 2.89Å; V260-G262 PolarHBondContact O-N 3.21Å; G262-Q315 PolarHBondContact O-NE2 2.94Å |
| 263 | L | 93.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -57.9 | 144 | 177 | -70.4 | -175.5 | 0 | 0 | 0 | 111.2 | G24 L25 S259 V260 A261 N275 I306 L310 | G24-L263 VanDerWaalsContact CA-C 3.43Å; G24-L263 WeakPolarHBondContact CA-O 3.08Å; L25-L263 HydrophobicContact CD2-CD1 3.91Å; L25-L263 HydrophobicContact CG-CD1 4.31Å; S259-L263 WeakPolarHBondContact CB-O 3.27Å; S259-L263 WeakPolarHBondContact OG-CA 3.47Å; S259-L263 VanDerWaalsContact OG-CB 3.29Å; S259-L263 WeakPolarHBondContact OG-CB 3.45Å; S259-L263 PolarHBondContact OG-N 3.39Å; S259-L263 VanDerWaalsContact OG-N 3.14Å; S259-L263 PolarHBondContact OG-O 3.07Å; V260-L263 HydrophobicContact CG1-CD1 3.91Å; V260-L263 HydrophobicContact CG1-CG 4.22Å; V260-L263 WeakPolarHBondContact O-CB 3.39Å; V260-L263 WeakPolarHBondContact O-CG 3.41Å; V260-L263 PolarHBondContact O-N 3.11Å; A261-L263 VanDerWaalsContact C-N 3.33Å; A261-L263 HydrophobicContact CB-CD2 4.41Å; A261-L263 HydrophobicContact CB-CG 4.49Å; L263-N275 PolarHBondContact O-ND2 2.79Å; L263-N275 VanDerWaalsContact O-ND2 3.13Å; L263-I306 HydrophobicContact CD1-CG1 4.05Å; L263-L310 HydrophobicContact CD1-CD1 4.5Å; L263-L310 HydrophobicContact CD2-CD1 3.4Å; L263-L310 VanDerWaalsContact CD2-CD1 3.4Å | ||
| 264 | G | 85.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | trans | 100.2 | -174.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G24 E28 Q315 | G24-G264 WeakPolarHBondContact O-CA 3.48Å; G24-G264 PolarHBondContact O-N 3.37Å; E28-G264 PolarHBondContact OE1-N 3.29Å; G264-Q315 PolarHBondContact O-NE2 3.38Å | ||
| 265 | G | 79.9 | Confident | 84 | Confident | 20 Ų | 20 | 31 Ų | 31 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -166 | 168.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P267 | G265-P267 WeakPolarHBondContact O-CD 3.49Å |
| 266 | C | 73.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 5% | 0.054 | 18% | 0.177 | C | C | . | . | trans | -92.5 | 113.7 | 174.3 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | F268 V269 A272 | C266-F268 PolarHBondContact O-N 2.9Å; C266-F268 VanDerWaalsContact O-N 3.13Å; C266-V269 HydrophobicContact CB-CB 4.35Å; C266-V269 CarbonylContact O-C 3.58Å; C266-V269 PolarHBondContact O-N 3.26Å; C266-A272 HydrophobicContact CB-CB 4.43Å | ||
| 267 | P | 71.2 | Confident | 83.9 | Confident | 89 Ų | 89 | 30.4 Ų | 30.4 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.9 | 177.2 | 25.5 | -33.3 | 0 | 0 | 0 | 112.6 | G265 | G265-P267 WeakPolarHBondContact O-CD 3.49Š|
| 268 | F | 68.4 | Low | 83.9 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -25.9 | -179.2 | -49.9 | -65.8 | 0 | 0 | 0 | 113.3 | F134 P175 Y176 T205 I206 C266 | F134-F268 HydrophobicContact CD2-CZ 4.29Å; F134-F268 HydrophobicContact CE2-CE1 4.46Å; F134-F268 AromaticContact CE2-CE2 3.56Å; F134-F268 HydrophobicContact CE2-CE2 3.56Å; F134-F268 AromaticContact CE2-CZ 3.45Å; F134-F268 HydrophobicContact CE2-CZ 3.45Å; F134-F268 VanDerWaalsContact CE2-CZ 3.45Å; F134-F268 HydrophobicContact CZ-CE2 4.16Å; F134-F268 HydrophobicContact CZ-CZ 4.1Å; P175-F268 HydrophobicContact CB-CB 4.39Å; P175-F268 HydrophobicContact CB-CD1 4.31Å; P175-F268 HydrophobicContact CB-CG 4.18Å; P175-F268 HydrophobicContact CG-CD1 4.12Å; P175-F268 HydrophobicContact CG-CD2 4.26Å; P175-F268 HydrophobicContact CG-CE1 4.32Å; P175-F268 HydrophobicContact CG-CE2 4.43Å; P175-F268 HydrophobicContact CG-CG 4.1Å; P175-F268 HydrophobicContact CG-CZ 4.45Å; Y176-F268 HydrophobicContact CE2-CE1 4.45Å; Y176-F268 AromaticContact CZ-CE1 3.91Å; Y176-F268 WeakPolarHBondContact OH-CE1 3.29Å; T205-F268 HydrophobicContact CG2-CE2 4.49Å; I206-F268 HydrophobicContact CG2-CD2 3.8Å; I206-F268 HydrophobicContact CG2-CG 4.43Å; C266-F268 PolarHBondContact O-N 2.9Å; C266-F268 VanDerWaalsContact O-N 3.13Å |
| 269 | V | 65.7 | Low | 83.9 | Confident | 45 Ų | 45 | 30.3 Ų | 30.3 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -122.7 | 99.9 | -179.8 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | T237 C266 S271 A272 | T237-V269 HydrophobicContact CG2-CB 4.2Å; T237-V269 HydrophobicContact CG2-CG1 4.49Å; T237-V269 HydrophobicContact CG2-CG2 4.08Å; C266-V269 HydrophobicContact CB-CB 4.35Å; C266-V269 CarbonylContact O-C 3.58Å; C266-V269 PolarHBondContact O-N 3.26Å; V269-S271 PolarHBondContact O-N 3.22Å; V269-A272 HydrophobicContact CB-CB 3.62Å; V269-A272 HydrophobicContact CG1-CB 3.53Å; V269-A272 WeakPolarHBondContact O-CB 3.42Å; V269-A272 PolarHBondContact O-N 3.46Å |
| 270 | K | 62.2 | Low | 83.9 | Confident | 197 Ų | 197 | 30.7 Ų | 30.7 | 86% | 0.857 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 126.5 | 178.4 | -68.5 | -177 | -179.2 | 178.4 | 0 | 109.3 | A272 | K270-A272 VanDerWaalsContact C-N 3.27Å; K270-A272 PolarHBondContact O-N 2.84Å |
| 271 | S | 62.1 | Low | 83.9 | Confident | 133 Ų | 133 | 30.7 Ų | 30.7 | 93% | 0.93 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 4.2 | -179.6 | -45.4 | 0 | 0 | 0 | 0 | 116.7 | V269 | V269-S271 PolarHBondContact O-N 3.22Š|
| 272 | A | 64.4 | Low | 84 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | trans | -77 | 149 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T237 C266 V269 K270 | T237-A272 HydrophobicContact CG2-CB 3.36Å; C266-A272 HydrophobicContact CB-CB 4.43Å; V269-A272 HydrophobicContact CB-CB 3.62Å; V269-A272 HydrophobicContact CG1-CB 3.53Å; V269-A272 WeakPolarHBondContact O-CB 3.42Å; V269-A272 PolarHBondContact O-N 3.46Å; K270-A272 VanDerWaalsContact C-N 3.27Å; K270-A272 PolarHBondContact O-N 2.84Å | ||
| 273 | T | 69.3 | Low | 84.1 | Confident | 41 Ų | 41 | 33.4 Ų | 33.4 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -57.2 | 137 | 168.5 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | N236 T237 | N236-T273 PolarHBondContact O-OG1 3.35Å; T237-T273 VanDerWaalsContact CA-O 3.23Å; T237-T273 WeakPolarHBondContact CA-O 3.38Å; T237-T273 VanDerWaalsContact CA-OG1 3.27Å; T237-T273 WeakPolarHBondContact CA-OG1 3.43Å; T237-T273 WeakPolarHBondContact CB-O 3.17Å; T237-T273 PolarHBondContact N-O 3.22Å; T237-T273 PolarHBondContact N-OG1 3.41Å; T237-T273 PolarHBondContact OG1-O 3.12Å |
| 274 | G | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -90.6 | -116.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | H235 N236 | H235-G274 CarbonylContact C-O 3.51Å; H235-G274 WeakPolarHBondContact CA-O 3.39Å; H235-G274 VanDerWaalsContact CB-O 3.25Å; H235-G274 WeakPolarHBondContact CB-O 3.37Å; N236-G274 PolarHBondContact N-O 2.89Å | ||
| 275 | N | 95.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -56.5 | 150.8 | 176.4 | -71.2 | -59.3 | 0 | 0 | 0 | 113.8 | D23 H233 H235 L263 A277 | D23-N275 PolarHBondContact OD2-ND2 2.95Å; D23-N275 PolarHBondContact OD2-OD1 3.42Å; H233-N275 PolarHBondContact CE1-OD1 3.01Å; H233-N275 PolarHBondContact NE2-OD1 3.44Å; H233-N275 VanDerWaalsContact NE2-OD1 3.15Å; H235-N275 PolarHBondContact CD2-OD1 3.23Å; H235-N275 PolarHBondContact NE2-OD1 2.8Å; L263-N275 PolarHBondContact O-ND2 2.79Å; L263-N275 VanDerWaalsContact O-ND2 3.13Å; N275-A277 PolarHBondContact O-N 3.04Å |
| 276 | L | 97.7 | Very high | 85.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 130.6 | 162.3 | 173.7 | 59.2 | 0 | 0 | 0 | 109.9 | F234 A241 L242 V245 S258 S259 T278 L281 | F234-L276 WeakPolarHBondContact O-CB 3.33Å; F234-L276 PolarHBondContact O-N 3.04Å; A241-L276 HydrophobicContact CB-CB 3.99Å; A241-L276 HydrophobicContact CB-CD1 3.95Å; A241-L276 HydrophobicContact CB-CD2 4.4Å; A241-L276 HydrophobicContact CB-CG 4.33Å; L242-L276 HydrophobicContact CD2-CD1 3.73Å; L242-L276 HydrophobicContact CD2-CD2 4.02Å; L242-L276 HydrophobicContact CD2-CG 4.48Å; L242-L276 HydrophobicContact CG-CD1 3.82Å; V245-L276 HydrophobicContact CG2-CD2 3.78Å; S258-L276 WeakPolarHBondContact CA-O 3.36Å; S258-L276 WeakPolarHBondContact CB-O 3.21Å; S259-L276 PolarHBondContact N-O 3.27Å; L276-T278 PolarHBondContact O-N 2.99Å; L276-L281 HydrophobicContact CD2-CB 4.12Å; L276-L281 HydrophobicContact CD2-CD1 4.44Å; L276-L281 HydrophobicContact CG-CB 4.46Å |
| 277 | A | 98 | Very high | 86.6 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -68.2 | 129.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S259 N275 E279 D280 L281 | S259-A277 VanDerWaalsContact O-CA 3.31Å; S259-A277 WeakPolarHBondContact O-CA 3.49Å; N275-A277 PolarHBondContact O-N 3.04Å; A277-E279 VanDerWaalsContact C-N 3.26Å; A277-E279 PolarHBondContact O-N 3.04Å; A277-D280 HydrophobicContact CB-CB 4.3Å; A277-D280 PolarHBondContact O-N 3.32Å; A277-L281 PolarHBondContact O-N 2.85Å |
| 278 | T | 98.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | -178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | V16 E18 L49 S258 S259 V260 L276 D280 L281 I282 L299 | V16-T278 HydrophobicContact CG1-CG2 4.03Å; E18-T278 PolarHBondContact OE2-OG1 3.15Å; L49-T278 HydrophobicContact CD2-CG2 4.47Å; S258-T278 WeakPolarHBondContact CB-OG1 3.46Å; S258-T278 WeakPolarHBondContact OG-CA 3.33Å; S258-T278 WeakPolarHBondContact OG-CB 3.48Å; S258-T278 WeakPolarHBondContact OG-CG2 3.2Å; S258-T278 PolarHBondContact OG-OG1 3.19Å; S259-T278 PolarHBondContact N-OG1 3.15Å; S259-T278 PolarHBondContact O-N 3.48Å; S259-T278 PolarHBondContact O-OG1 2.64Å; V260-T278 PolarHBondContact N-OG1 3.36Å; L276-T278 PolarHBondContact O-N 2.99Å; T278-D280 PolarHBondContact O-N 2.88Å; T278-L281 WeakPolarHBondContact O-CB 3.5Å; T278-L281 PolarHBondContact O-N 2.82Å; T278-I282 HydrophobicContact CG2-CG1 4.28Å; T278-I282 WeakPolarHBondContact O-CG1 3.34Å; T278-I282 PolarHBondContact O-N 2.9Å; T278-L299 HydrophobicContact CG2-CD1 4.3Å; T278-L299 HydrophobicContact CG2-CD2 3.55Å |
| 279 | E | 98.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 179 | -55.2 | 79.5 | 174.9 | 0 | 0 | 111.8 | A261 A277 L281 I282 N283 L296 L299 I300 S303 S316 I318 A319 | A261-E279 WeakPolarHBondContact CA-OE1 3.31Å; A261-E279 PolarHBondContact N-OE1 3.07Å; A261-E279 PolarHBondContact N-OE2 3Å; A261-E279 VanDerWaalsContact N-OE2 3.16Å; A277-E279 VanDerWaalsContact C-N 3.26Å; A277-E279 PolarHBondContact O-N 3.04Å; E279-L281 VanDerWaalsContact C-N 3.29Å; E279-L281 PolarHBondContact O-N 2.72Å; E279-I282 PolarHBondContact O-N 2.85Å; E279-N283 WeakPolarHBondContact O-CB 3.33Å; E279-N283 PolarHBondContact O-N 3.19Å; E279-L296 HydrophobicContact CB-CD1 4.28Å; E279-L299 HydrophobicContact CB-CD2 4.36Å; E279-L299 HydrophobicContact CG-CD2 3.91Å; E279-L299 HydrophobicContact CG-CG 3.94Å; E279-I300 HydrophobicContact CG-CG1 4.19Å; E279-S303 WeakPolarHBondContact OE1-CB 3.45Å; E279-S303 PolarHBondContact OE1-OG 3.32Å; E279-S316 WeakPolarHBondContact CB-OG 3.4Å; E279-I318 HydrophobicContact CB-CB 4.27Å; E279-A319 HydrophobicContact CG-CB 4.38Å |
| 280 | D | 98.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -35.4 | -179.9 | -59.2 | -10.2 | 0 | 0 | 0 | 110.4 | L242 A277 T278 M284 S316 Y317 I318 | L242-D280 HydrophobicContact CD1-CB 4.21Å; A277-D280 HydrophobicContact CB-CB 4.3Å; A277-D280 PolarHBondContact O-N 3.32Å; T278-D280 PolarHBondContact O-N 2.88Å; D280-M284 PolarHBondContact O-N 3.12Å; D280-S316 PolarHBondContact OD1-OG 3.17Å; D280-Y317 PolarHBondContact OD1-N 3.21Å; D280-Y317 WeakPolarHBondContact OD2-CD2 3.31Å; D280-Y317 PolarHBondContact OD2-N 3.11Å; D280-I318 WeakPolarHBondContact OD1-CG1 3.38Å; D280-I318 PolarHBondContact OD1-N 3.11Å |
| 281 | L | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -51.7 | 171.9 | 173.8 | 61.5 | 0 | 0 | 0 | 111.7 | V16 V245 I256 L276 A277 T278 E279 N283 M284 L285 | V16-L281 HydrophobicContact CG1-CD2 4.11Å; V16-L281 HydrophobicContact CG2-CD2 3.92Å; V245-L281 HydrophobicContact CG1-CD1 3.91Å; I256-L281 HydrophobicContact CB-CD2 3.98Å; I256-L281 HydrophobicContact CG2-CD1 4.22Å; I256-L281 HydrophobicContact CG2-CD2 3.67Å; L276-L281 HydrophobicContact CD2-CB 4.12Å; L276-L281 HydrophobicContact CD2-CD1 4.44Å; L276-L281 HydrophobicContact CG-CB 4.46Å; A277-L281 PolarHBondContact O-N 2.85Å; T278-L281 WeakPolarHBondContact O-CB 3.5Å; T278-L281 PolarHBondContact O-N 2.82Å; E279-L281 VanDerWaalsContact C-N 3.29Å; E279-L281 PolarHBondContact O-N 2.72Å; L281-N283 VanDerWaalsContact C-N 3.31Å; L281-N283 PolarHBondContact O-N 2.96Å; L281-M284 HydrophobicContact CD1-CE 4.08Å; L281-M284 PolarHBondContact O-N 3.32Å; L281-M284 VanDerWaalsContact O-N 3.15Å; L281-L285 HydrophobicContact CD1-CD1 4.04Å; L281-L285 HydrophobicContact CD1-CD2 4.45Å; L281-L285 HydrophobicContact CD1-CG 4.03Å; L281-L285 HydrophobicContact CG-CD1 4.02Å; L281-L285 HydrophobicContact CG-CG 4.39Å; L281-L285 WeakPolarHBondContact O-CG 3.47Å; L281-L285 PolarHBondContact O-N 3.33Å |
| 282 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | -179.5 | -64.9 | -48 | 0 | 0 | 0 | 110.5 | V16 T278 E279 M284 L285 D286 V294 L296 L299 | V16-I282 HydrophobicContact CG2-CD1 3.87Å; T278-I282 HydrophobicContact CG2-CG1 4.28Å; T278-I282 WeakPolarHBondContact O-CG1 3.34Å; T278-I282 PolarHBondContact O-N 2.9Å; E279-I282 PolarHBondContact O-N 2.85Å; I282-M284 VanDerWaalsContact C-N 3.3Å; I282-M284 PolarHBondContact O-N 3.47Å; I282-L285 HydrophobicContact CD1-CD1 4.28Å; I282-L285 PolarHBondContact O-N 3.18Å; I282-L285 VanDerWaalsContact O-N 3.1Å; I282-D286 WeakPolarHBondContact O-CB 3.48Å; I282-D286 VanDerWaalsContact O-CG 3.32Å; I282-D286 PolarHBondContact O-N 3.37Å; I282-V294 HydrophobicContact CD1-CB 3.81Å; I282-V294 HydrophobicContact CD1-CG1 4.25Å; I282-V294 HydrophobicContact CD1-CG2 3.94Å; I282-V294 HydrophobicContact CG1-CB 4.06Å; I282-V294 HydrophobicContact CG1-CG1 3.98Å; I282-V294 HydrophobicContact CG2-CB 4.49Å; I282-L296 HydrophobicContact CB-CD1 4.14Å; I282-L296 HydrophobicContact CG2-CB 4.04Å; I282-L296 HydrophobicContact CG2-CD1 4.04Å; I282-L299 HydrophobicContact CG1-CD2 3.93Å |
| 283 | N | 97.5 | Very high | 95.4 | Very high | 57 Ų | 57 | 30.5 Ų | 30.5 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 176.1 | -177.8 | 84.8 | 0 | 0 | 0 | 112.7 | E279 L281 S287 L296 I318 | E279-N283 WeakPolarHBondContact O-CB 3.33Å; E279-N283 PolarHBondContact O-N 3.19Å; L281-N283 VanDerWaalsContact C-N 3.31Å; L281-N283 PolarHBondContact O-N 2.96Å; N283-S287 WeakPolarHBondContact O-CB 3.12Å; N283-S287 PolarHBondContact O-N 2.92Å; N283-S287 PolarHBondContact O-OG 3.31Å; N283-L296 HydrophobicContact CB-CD2 4.12Å; N283-I318 HydrophobicContact CB-CD1 3.96Å; N283-I318 HydrophobicContact CB-CG1 3.73Å; N283-I318 VanDerWaalsContact CG-CD1 3.48Å |
| 284 | M | 97.7 | Very high | 96.8 | Very high | 29 Ų | 29 | 29.2 Ų | 29.2 | 14% | 0.143 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 175 | -174.8 | -175.4 | 68.3 | 0 | 0 | 111.9 | L242 V245 L249 D280 L281 I282 S287 L288 | L242-M284 HydrophobicContact CB-SD 4.13Å; L242-M284 HydrophobicContact CD2-CB 4.32Å; L242-M284 HydrophobicContact CD2-CE 3.93Å; L242-M284 HydrophobicContact CD2-SD 3.94Å; V245-M284 HydrophobicContact CB-CE 3.96Å; V245-M284 HydrophobicContact CG1-CE 3.49Å; V245-M284 VanDerWaalsContact CG1-CE 3.49Å; L249-M284 HydrophobicContact CD1-CE 4.13Å; D280-M284 PolarHBondContact O-N 3.12Å; L281-M284 HydrophobicContact CD1-CE 4.08Å; L281-M284 PolarHBondContact O-N 3.32Å; L281-M284 VanDerWaalsContact O-N 3.15Å; I282-M284 VanDerWaalsContact C-N 3.3Å; I282-M284 PolarHBondContact O-N 3.47Å; M284-S287 PolarHBondContact O-N 3.36Å; M284-L288 HydrophobicContact CG-CD1 3.99Å; M284-L288 WeakPolarHBondContact O-CB 3.44Å; M284-L288 VanDerWaalsContact O-CG 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.48Å; M284-L288 PolarHBondContact O-N 3.11Å |
| 285 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.4 | -67.5 | 176.1 | 0 | 0 | 0 | 111.6 | V14 V16 L249 L281 I282 S287 L288 N289 I290 | V14-L285 HydrophobicContact CB-CD1 4.04Å; V14-L285 HydrophobicContact CB-CD2 4.31Å; V14-L285 HydrophobicContact CG1-CD1 3.79Å; V14-L285 HydrophobicContact CG1-CD2 4.39Å; V14-L285 HydrophobicContact CG2-CD2 4.01Å; V16-L285 HydrophobicContact CG2-CD1 4.34Å; L249-L285 HydrophobicContact CD1-CD2 3.85Å; L249-L285 HydrophobicContact CD2-CD2 4.46Å; L281-L285 HydrophobicContact CD1-CD1 4.04Å; L281-L285 HydrophobicContact CD1-CD2 4.45Å; L281-L285 HydrophobicContact CD1-CG 4.03Å; L281-L285 HydrophobicContact CG-CD1 4.02Å; L281-L285 HydrophobicContact CG-CG 4.39Å; L281-L285 WeakPolarHBondContact O-CG 3.47Å; L281-L285 PolarHBondContact O-N 3.33Å; I282-L285 HydrophobicContact CD1-CD1 4.28Å; I282-L285 PolarHBondContact O-N 3.18Å; I282-L285 VanDerWaalsContact O-N 3.1Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 2.85Å; L285-L288 CarbonylContact O-C 3.55Å; L285-L288 PolarHBondContact O-N 2.94Å; L285-L288 VanDerWaalsContact O-N 3.14Å; L285-N289 PolarHBondContact O-N 2.93Å; L285-N289 VanDerWaalsContact O-N 3.12Å; L285-I290 HydrophobicContact CB-CB 4.46Å; L285-I290 HydrophobicContact CD2-CB 4.21Å; L285-I290 HydrophobicContact CD2-CD1 4.34Å; L285-I290 HydrophobicContact CD2-CG2 4.1Å; L285-I290 PolarHBondContact O-N 3.41Å |
| 286 | D | 95.7 | Very high | 97.3 | Very high | 69 Ų | 69 | 37.8 Ų | 37.8 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 176.3 | -68.7 | -15.1 | 0 | 0 | 0 | 110.6 | I282 L288 N289 | I282-D286 WeakPolarHBondContact O-CB 3.48Å; I282-D286 VanDerWaalsContact O-CG 3.32Å; I282-D286 PolarHBondContact O-N 3.37Å; D286-L288 PolarHBondContact O-N 3.38Å; D286-N289 WeakPolarHBondContact O-CA 3.39Å; D286-N289 PolarHBondContact O-N 3.26Å |
| 287 | S | 94.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.1 | -30.9 | 176 | -59.6 | 0 | 0 | 0 | 0 | 113 | N283 M284 L285 N289 | N283-S287 WeakPolarHBondContact O-CB 3.12Å; N283-S287 PolarHBondContact O-N 2.92Å; N283-S287 PolarHBondContact O-OG 3.31Å; M284-S287 PolarHBondContact O-N 3.36Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 2.85Å; S287-N289 VanDerWaalsContact C-N 3.28Å |
| 288 | L | 95.7 | Very high | 97.2 | Very high | 59 Ų | 59 | 43 Ų | 43 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.6 | 174.8 | -69.1 | 172 | 0 | 0 | 0 | 113.2 | L246 L249 M284 L285 D286 I290 | L246-L288 HydrophobicContact CD1-CD1 3.93Å; L249-L288 HydrophobicContact CD1-CD1 4.26Å; M284-L288 HydrophobicContact CG-CD1 3.99Å; M284-L288 WeakPolarHBondContact O-CB 3.44Å; M284-L288 VanDerWaalsContact O-CG 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.48Å; M284-L288 PolarHBondContact O-N 3.11Å; L285-L288 CarbonylContact O-C 3.55Å; L285-L288 PolarHBondContact O-N 2.94Å; L285-L288 VanDerWaalsContact O-N 3.14Å; D286-L288 PolarHBondContact O-N 3.38Å; L288-I290 VanDerWaalsContact C-N 3.29Å; L288-I290 HydrophobicContact CB-CD1 3.79Å; L288-I290 HydrophobicContact CB-CG1 3.92Å; L288-I290 HydrophobicContact CD1-CD1 4.09Å; L288-I290 PolarHBondContact O-N 3.33Å |
| 289 | N | 95.6 | Very high | 97.2 | Very high | 115 Ų | 115 | 43 Ų | 43 | 62% | 0.615 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 41 | -172 | -56.9 | -86.6 | 0 | 0 | 0 | 112.8 | L285 D286 S287 | L285-N289 PolarHBondContact O-N 2.93Å; L285-N289 VanDerWaalsContact O-N 3.12Å; D286-N289 WeakPolarHBondContact O-CA 3.39Å; D286-N289 PolarHBondContact O-N 3.26Å; S287-N289 VanDerWaalsContact C-N 3.28Å |
| 290 | I | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -106.7 | 120.4 | 176.6 | -61.9 | 173.8 | 0 | 0 | 0 | 108.3 | I9 V14 L249 L285 L288 S292 | I9-I290 HydrophobicContact CG2-CD1 3.72Å; V14-I290 HydrophobicContact CB-CG2 4.18Å; V14-I290 HydrophobicContact CG2-CG2 3.54Å; L249-I290 HydrophobicContact CD1-CD1 4.24Å; L285-I290 HydrophobicContact CB-CB 4.46Å; L285-I290 HydrophobicContact CD2-CB 4.21Å; L285-I290 HydrophobicContact CD2-CD1 4.34Å; L285-I290 HydrophobicContact CD2-CG2 4.1Å; L285-I290 PolarHBondContact O-N 3.41Å; L288-I290 VanDerWaalsContact C-N 3.29Å; L288-I290 HydrophobicContact CB-CD1 3.79Å; L288-I290 HydrophobicContact CB-CG1 3.92Å; L288-I290 HydrophobicContact CD1-CD1 4.09Å; L288-I290 PolarHBondContact O-N 3.33Å; I290-S292 PolarHBondContact O-N 2.97Å | ||
| 291 | E | 96.8 | Very high | 97.1 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | trans | -67.6 | 131.6 | -178.9 | -168.2 | -167.6 | 138.8 | 0 | 0 | 111.2 | K13 V14 | K13-E291 CarbonylContact C-O 3.48Å; K13-E291 VanDerWaalsContact CA-O 3.29Å; K13-E291 WeakPolarHBondContact CA-O 3.5Å; K13-E291 HydrophobicContact CG-CB 4.44Å; K13-E291 WeakPolarHBondContact CG-O 3.39Å; K13-E291 IonicContact NZ-OE1 3.08Å; K13-E291 PolarHBondContact NZ-OE1 3.29Å; V14-E291 PolarHBondContact N-O 3.5Å | ||
| 292 | S | 97.3 | Very high | 97 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -111.3 | -28.9 | 165.9 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | I290 V294 | I290-S292 PolarHBondContact O-N 2.97Å; S292-V294 VanDerWaalsContact C-N 3.3Å; S292-V294 PolarHBondContact OG-N 2.87Å; S292-V294 VanDerWaalsContact OG-N 3.11Å | ||
| 293 | G | 96.5 | Very high | 97 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | trans | 80.9 | 6.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 294 | V | 98.1 | Very high | 96.9 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | trans | -96.9 | 133.6 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 110 | A47 L49 I282 S292 L299 | A47-V294 CarbonylContact O-C 3.58Å; A47-V294 WeakPolarHBondContact O-CA 3.5Å; L49-V294 HydrophobicContact CD2-CG2 3.92Å; L49-V294 HydrophobicContact CG-CG2 4.14Å; I282-V294 HydrophobicContact CD1-CB 3.81Å; I282-V294 HydrophobicContact CD1-CG1 4.25Å; I282-V294 HydrophobicContact CD1-CG2 3.94Å; I282-V294 HydrophobicContact CG1-CB 4.06Å; I282-V294 HydrophobicContact CG1-CG1 3.98Å; I282-V294 HydrophobicContact CG2-CB 4.49Å; S292-V294 VanDerWaalsContact C-N 3.3Å; S292-V294 PolarHBondContact OG-N 2.87Å; S292-V294 VanDerWaalsContact OG-N 3.11Å; V294-L299 HydrophobicContact CG1-CB 4.37Å; V294-L299 HydrophobicContact CG1-CD2 4.22Å | ||
| 295 | R | 97.5 | Very high | 96.9 | Very high | 157 Ų | 157 | 50.7 Ų | 50.7 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | trans | -86.3 | 108.6 | 174.1 | -62 | -173.4 | -64.5 | 157.3 | 1.5 | 109.1 | A46 A47 D297 A298 L299 | A46-R295 PolarHBondContact O-NH2 3.34Å; A47-R295 PolarHBondContact O-N 2.92Å; R295-D297 PolarHBondContact O-N 3.45Å; R295-A298 HydrophobicContact CB-CB 4.13Å; R295-A298 PolarHBondContact O-N 3.17Å; R295-L299 PolarHBondContact O-N 3.15Å; R295-L299 VanDerWaalsContact O-N 3.07Å | ||
| 296 | L | 97 | Very high | 96.9 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.4 | -45.6 | -176.2 | -177.7 | 56.7 | 0 | 0 | 0 | 112.5 | E279 I282 N283 A298 L299 I300 I318 | E279-L296 HydrophobicContact CB-CD1 4.28Å; I282-L296 HydrophobicContact CB-CD1 4.14Å; I282-L296 HydrophobicContact CG2-CB 4.04Å; I282-L296 HydrophobicContact CG2-CD1 4.04Å; N283-L296 HydrophobicContact CB-CD2 4.12Å; L296-A298 PolarHBondContact O-N 3.01Å; L296-L299 WeakPolarHBondContact O-CB 3.42Å; L296-L299 PolarHBondContact O-N 2.79Å; L296-L299 VanDerWaalsContact O-N 3.11Å; L296-I300 HydrophobicContact CD1-CD1 4.02Å; L296-I300 HydrophobicContact CD1-CG1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.87Å; L296-I300 HydrophobicContact CG-CG1 4.45Å; L296-I300 WeakPolarHBondContact O-CG1 3.32Å; L296-I300 PolarHBondContact O-N 3.28Å; L296-I318 HydrophobicContact CD1-CG2 4.29Å; L296-I318 HydrophobicContact CD2-CG2 4.42Å |
| 297 | D | 96.3 | Very high | 96.8 | Very high | 96 Ų | 96 | 47.5 Ų | 47.5 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 179.7 | -60 | -24 | 0 | 0 | 0 | 112.3 | R295 L299 I300 E301 F322 | R295-D297 PolarHBondContact O-N 3.45Å; D297-L299 VanDerWaalsContact C-N 3.28Å; D297-L299 PolarHBondContact O-N 2.94Å; D297-I300 PolarHBondContact O-N 3.1Å; D297-E301 WeakPolarHBondContact O-CG 3.37Å; D297-E301 PolarHBondContact O-N 3.25Å; D297-F322 HydrophobicContact CB-CZ 4.3Å; D297-F322 VanDerWaalsContact OD1-CE2 3.28Å; D297-F322 WeakPolarHBondContact OD1-CE2 3.36Å; D297-F322 WeakPolarHBondContact OD1-CZ 3.5Å |
| 298 | A | 97.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A47 R295 L296 T302 | A47-A298 HydrophobicContact CB-CB 4.07Å; R295-A298 HydrophobicContact CB-CB 4.13Å; R295-A298 PolarHBondContact O-N 3.17Å; L296-A298 PolarHBondContact O-N 3.01Å; A298-T302 PolarHBondContact O-N 3.28Å; A298-T302 VanDerWaalsContact O-N 3.15Å; A298-T302 PolarHBondContact O-OG1 3.37Å |
| 299 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 174.7 | -175 | 67.8 | 0 | 0 | 0 | 111.2 | L44 A47 L49 V260 T278 E279 I282 V294 R295 L296 D297 T302 S303 | L44-L299 HydrophobicContact CD2-CD1 3.96Å; A47-L299 HydrophobicContact CB-CB 4.31Å; L49-L299 HydrophobicContact CD1-CD1 4.21Å; V260-L299 HydrophobicContact CG2-CD1 4.21Å; T278-L299 HydrophobicContact CG2-CD1 4.3Å; T278-L299 HydrophobicContact CG2-CD2 3.55Å; E279-L299 HydrophobicContact CB-CD2 4.36Å; E279-L299 HydrophobicContact CG-CD2 3.91Å; E279-L299 HydrophobicContact CG-CG 3.94Å; I282-L299 HydrophobicContact CG1-CD2 3.93Å; V294-L299 HydrophobicContact CG1-CB 4.37Å; V294-L299 HydrophobicContact CG1-CD2 4.22Å; R295-L299 PolarHBondContact O-N 3.15Å; R295-L299 VanDerWaalsContact O-N 3.07Å; L296-L299 WeakPolarHBondContact O-CB 3.42Å; L296-L299 PolarHBondContact O-N 2.79Å; L296-L299 VanDerWaalsContact O-N 3.11Å; D297-L299 VanDerWaalsContact C-N 3.28Å; D297-L299 PolarHBondContact O-N 2.94Å; L299-T302 CarbonylContact O-C 3.03Å; L299-T302 WeakPolarHBondContact O-CA 3.34Å; L299-T302 WeakPolarHBondContact O-CB 3.49Å; L299-T302 PolarHBondContact O-N 3.3Å; L299-T302 VanDerWaalsContact O-N 3.14Å; L299-S303 PolarHBondContact O-N 2.98Å |
| 300 | I | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.3 | -68.6 | 167.6 | 0 | 0 | 0 | 111.1 | E279 L296 D297 T302 S303 Q304 I318 A319 F322 | E279-I300 HydrophobicContact CG-CG1 4.19Å; L296-I300 HydrophobicContact CD1-CD1 4.02Å; L296-I300 HydrophobicContact CD1-CG1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.87Å; L296-I300 HydrophobicContact CG-CG1 4.45Å; L296-I300 WeakPolarHBondContact O-CG1 3.32Å; L296-I300 PolarHBondContact O-N 3.28Å; D297-I300 PolarHBondContact O-N 3.1Å; I300-T302 PolarHBondContact O-N 2.87Å; I300-S303 WeakPolarHBondContact O-CA 3.49Å; I300-S303 WeakPolarHBondContact O-CB 3.46Å; I300-S303 PolarHBondContact O-N 3.37Å; I300-S303 VanDerWaalsContact O-N 3.11Å; I300-Q304 HydrophobicContact CG2-CG 4.41Å; I300-Q304 WeakPolarHBondContact O-CG 3.46Å; I300-Q304 PolarHBondContact O-N 3.48Å; I300-I318 HydrophobicContact CD1-CG2 3.7Å; I300-I318 HydrophobicContact CG1-CG2 4.35Å; I300-A319 HydrophobicContact CG2-CB 4.31Å; I300-F322 HydrophobicContact CD1-CB 4.17Å; I300-F322 HydrophobicContact CD1-CD2 3.22Å; I300-F322 HydrophobicContact CD1-CE2 3.64Å; I300-F322 HydrophobicContact CD1-CG 3.8Å; I300-F322 HydrophobicContact CG1-CD2 4.45Å; I300-F322 HydrophobicContact CG2-CB 3.75Å; I300-F322 HydrophobicContact CG2-CD1 3.88Å; I300-F322 HydrophobicContact CG2-CD2 4.26Å; I300-F322 HydrophobicContact CG2-CG 3.71Å |
| 301 | E | 97.2 | Very high | 96.5 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -56.7 | -40.5 | 172.9 | -71.9 | 178 | -173.2 | 0 | 0 | 111.7 | D297 W305 | D297-E301 WeakPolarHBondContact O-CG 3.37Å; D297-E301 PolarHBondContact O-N 3.25Å; E301-W305 VanDerWaalsContact O-CB 3.31Å; E301-W305 WeakPolarHBondContact O-CB 3.16Å; E301-W305 PolarHBondContact O-N 2.69Å |
| 302 | T | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.3 | -56 | 0 | 0 | 0 | 0 | 111.4 | L40 R43 L44 V260 A298 L299 I300 W305 I306 | L40-T302 HydrophobicContact CD1-CG2 3.63Å; R43-T302 HydrophobicContact CB-CG2 3.66Å; L44-T302 HydrophobicContact CD2-CG2 4.04Å; L44-T302 HydrophobicContact CG-CG2 4.31Å; V260-T302 HydrophobicContact CG2-CG2 4.27Å; A298-T302 PolarHBondContact O-N 3.28Å; A298-T302 VanDerWaalsContact O-N 3.15Å; A298-T302 PolarHBondContact O-OG1 3.37Å; L299-T302 CarbonylContact O-C 3.03Å; L299-T302 WeakPolarHBondContact O-CA 3.34Å; L299-T302 WeakPolarHBondContact O-CB 3.49Å; L299-T302 PolarHBondContact O-N 3.3Å; L299-T302 VanDerWaalsContact O-N 3.14Å; I300-T302 PolarHBondContact O-N 2.87Å; T302-W305 PolarHBondContact O-N 3.21Å; T302-I306 WeakPolarHBondContact O-CG2 3.18Å; T302-I306 PolarHBondContact O-N 2.96Å |
| 303 | S | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.7 | -50.1 | 175.3 | -157.5 | 0 | 0 | 0 | 0 | 112.6 | A261 E279 L299 I300 I306 S307 A319 | A261-S303 VanDerWaalsContact CA-OG 3.22Å; A261-S303 WeakPolarHBondContact CA-OG 3.28Å; A261-S303 WeakPolarHBondContact CB-OG 3.36Å; E279-S303 WeakPolarHBondContact OE1-CB 3.45Å; E279-S303 PolarHBondContact OE1-OG 3.32Å; L299-S303 PolarHBondContact O-N 2.98Å; I300-S303 WeakPolarHBondContact O-CA 3.49Å; I300-S303 WeakPolarHBondContact O-CB 3.46Å; I300-S303 PolarHBondContact O-N 3.37Å; I300-S303 VanDerWaalsContact O-N 3.11Å; S303-I306 WeakPolarHBondContact O-CG2 3.4Å; S303-S307 WeakPolarHBondContact O-CB 3.31Å; S303-S307 PolarHBondContact O-N 2.83Å; S303-S307 PolarHBondContact O-OG 3.18Å; S303-A319 WeakPolarHBondContact OG-CB 3.44Å |
| 304 | Q | 96.4 | Very high | 95.9 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | -179 | -69.6 | 174.7 | -11.4 | 0 | 0 | 110.9 | I300 T308 A319 | I300-Q304 HydrophobicContact CG2-CG 4.41Å; I300-Q304 WeakPolarHBondContact O-CG 3.46Å; I300-Q304 PolarHBondContact O-N 3.48Å; Q304-T308 WeakPolarHBondContact O-CB 3.43Å; Q304-T308 PolarHBondContact O-N 3.3Å; Q304-T308 PolarHBondContact O-OG1 3.37Å; Q304-A319 PolarHBondContact NE2-O 2.74Å |
| 305 | W | 97.8 | Very high | 95.7 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 20% | 0.197 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -52.9 | 176.1 | 170.3 | 78.8 | 0 | 0 | 0 | 111.9 | I36 E39 L40 E301 T302 S307 T308 V309 | I36-W305 HydrophobicContact CD1-CZ2 4.32Å; I36-W305 HydrophobicContact CG2-CH2 3.84Å; I36-W305 HydrophobicContact CG2-CZ2 4.23Å; E39-W305 HydrophobicContact CB-CH2 3.92Å; E39-W305 HydrophobicContact CB-CZ2 4.12Å; E39-W305 HydrophobicContact CG-CH2 3.58Å; E39-W305 HydrophobicContact CG-CZ2 3.47Å; E39-W305 VanDerWaalsContact CG-CZ2 3.47Å; E39-W305 HydrophobicContact CG-CZ3 4.4Å; L40-W305 HydrophobicContact CB-CH2 4.24Å; L40-W305 HydrophobicContact CB-CZ3 3.81Å; L40-W305 HydrophobicContact CD1-CE3 4.37Å; L40-W305 HydrophobicContact CD1-CZ3 3.86Å; L40-W305 HydrophobicContact CG-CZ3 4.36Å; E301-W305 VanDerWaalsContact O-CB 3.31Å; E301-W305 WeakPolarHBondContact O-CB 3.16Å; E301-W305 PolarHBondContact O-N 2.69Å; T302-W305 PolarHBondContact O-N 3.21Å; W305-S307 VanDerWaalsContact C-N 3.3Å; W305-S307 PolarHBondContact O-N 2.66Å; W305-T308 WeakPolarHBondContact O-CB 3.13Å; W305-T308 PolarHBondContact O-N 2.94Å; W305-V309 HydrophobicContact CD2-CG2 4.42Å; W305-V309 HydrophobicContact CZ2-CG2 4.12Å; W305-V309 WeakPolarHBondContact O-CG2 3.29Å; W305-V309 PolarHBondContact O-N 3.39Å |
| 306 | I | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -35.6 | -177.4 | -168.7 | 56.5 | 0 | 0 | 0 | 111.8 | L32 I36 L40 V260 A261 L263 T302 S303 T308 V309 L310 | L32-I306 HydrophobicContact CD1-CD1 3.74Å; I36-I306 HydrophobicContact CG2-CD1 4.38Å; L40-I306 HydrophobicContact CD1-CB 4.19Å; L40-I306 HydrophobicContact CD1-CG1 4.28Å; L40-I306 HydrophobicContact CD2-CD1 3.98Å; L40-I306 HydrophobicContact CD2-CG1 4Å; V260-I306 HydrophobicContact CG2-CG2 4.48Å; A261-I306 HydrophobicContact CB-CG2 4.12Å; L263-I306 HydrophobicContact CD1-CG1 4.05Å; T302-I306 WeakPolarHBondContact O-CG2 3.18Å; T302-I306 PolarHBondContact O-N 2.96Å; S303-I306 WeakPolarHBondContact O-CG2 3.4Å; I306-T308 VanDerWaalsContact C-N 3.35Å; I306-V309 HydrophobicContact CD1-CB 4.48Å; I306-V309 PolarHBondContact O-N 3.03Å; I306-L310 HydrophobicContact CG1-CD1 4.14Å; I306-L310 WeakPolarHBondContact O-CB 3.18Å; I306-L310 WeakPolarHBondContact O-CG 3.49Å; I306-L310 PolarHBondContact O-N 3.02Å |
| 307 | S | 94.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | S303 W305 L310 N311 R312 P314 | S303-S307 WeakPolarHBondContact O-CB 3.31Å; S303-S307 PolarHBondContact O-N 2.83Å; S303-S307 PolarHBondContact O-OG 3.18Å; W305-S307 VanDerWaalsContact C-N 3.3Å; W305-S307 PolarHBondContact O-N 2.66Å; S307-L310 CarbonylContact O-C 3.31Å; S307-L310 PolarHBondContact O-N 2.93Å; S307-N311 PolarHBondContact O-N 3.27Å; S307-R312 CarbonylContact C-O 3.43Å; S307-R312 VanDerWaalsContact C-O 3.31Å; S307-R312 VanDerWaalsContact CB-O 3.29Å; S307-R312 WeakPolarHBondContact CB-O 3.2Å; S307-R312 PolarHBondContact O-N 3.2Å; S307-P314 WeakPolarHBondContact OG-CG 3.39Å |
| 308 | T | 95.5 | Very high | 95.5 | Very high | 109 Ų | 109 | 53.1 Ų | 53.1 | 67% | 0.669 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 172.8 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | Q304 W305 I306 L310 N311 | Q304-T308 WeakPolarHBondContact O-CB 3.43Å; Q304-T308 PolarHBondContact O-N 3.3Å; Q304-T308 PolarHBondContact O-OG1 3.37Å; W305-T308 WeakPolarHBondContact O-CB 3.13Å; W305-T308 PolarHBondContact O-N 2.94Å; I306-T308 VanDerWaalsContact C-N 3.35Å; T308-L310 VanDerWaalsContact C-N 3.27Å; T308-L310 PolarHBondContact O-N 3.3Å; T308-N311 PolarHBondContact O-N 3.16Å |
| 309 | V | 95.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L32 I36 W305 I306 N311 | L32-V309 HydrophobicContact CD2-CG1 3.68Å; I36-V309 HydrophobicContact CG2-CG1 3.92Å; W305-V309 HydrophobicContact CD2-CG2 4.42Å; W305-V309 HydrophobicContact CZ2-CG2 4.12Å; W305-V309 WeakPolarHBondContact O-CG2 3.29Å; W305-V309 PolarHBondContact O-N 3.39Å; I306-V309 HydrophobicContact CD1-CB 4.48Å; I306-V309 PolarHBondContact O-N 3.03Å; V309-N311 VanDerWaalsContact C-N 3.27Å; V309-N311 PolarHBondContact O-N 3.14Å |
| 310 | L | 93 | Very high | 95.2 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.6 | 176.5 | -70.3 | 170.6 | 0 | 0 | 0 | 113.8 | L25 E28 T30 L32 L263 I306 S307 T308 R312 | L25-L310 HydrophobicContact CD2-CD1 4.29Å; E28-L310 HydrophobicContact CG-CD1 4.32Å; E28-L310 HydrophobicContact CG-CD2 4.47Å; T30-L310 HydrophobicContact CG2-CD2 4.43Å; L32-L310 HydrophobicContact CD1-CD2 4.06Å; L32-L310 HydrophobicContact CD1-CG 4.47Å; L32-L310 HydrophobicContact CD2-CD2 3.77Å; L32-L310 HydrophobicContact CD2-CG 4.48Å; L32-L310 HydrophobicContact CG-CD2 4.02Å; L263-L310 HydrophobicContact CD1-CD1 4.5Å; L263-L310 HydrophobicContact CD2-CD1 3.4Å; L263-L310 VanDerWaalsContact CD2-CD1 3.4Å; I306-L310 HydrophobicContact CG1-CD1 4.14Å; I306-L310 WeakPolarHBondContact O-CB 3.18Å; I306-L310 WeakPolarHBondContact O-CG 3.49Å; I306-L310 PolarHBondContact O-N 3.02Å; S307-L310 CarbonylContact O-C 3.31Å; S307-L310 PolarHBondContact O-N 2.93Å; T308-L310 VanDerWaalsContact C-N 3.27Å; T308-L310 PolarHBondContact O-N 3.3Å; L310-R312 VanDerWaalsContact C-N 3.3Å; L310-R312 HydrophobicContact CB-CG 4.04Å; L310-R312 PolarHBondContact O-N 2.67Å |
| 311 | N | 93.3 | Very high | 94.9 | Very high | 155 Ų | 155 | 60.8 Ų | 60.8 | 83% | 0.829 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 46.6 | -176.3 | -169.1 | 37.1 | 0 | 0 | 0 | 113.1 | S307 T308 V309 | S307-N311 PolarHBondContact O-N 3.27Å; T308-N311 PolarHBondContact O-N 3.16Å; V309-N311 VanDerWaalsContact C-N 3.27Å; V309-N311 PolarHBondContact O-N 3.14Å |
| 312 | R | 90.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 25% | 0.249 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -142.1 | 168.5 | 176.5 | 70.8 | -172.3 | -163.4 | 105.7 | -17.7 | 110.9 | E28 S307 L310 | E28-R312 IonicContact OE1-CZ 3.45Å; E28-R312 VanDerWaalsContact OE1-CZ 3.27Å; E28-R312 IonicContact OE1-NE 2.93Å; E28-R312 PolarHBondContact OE1-NE 2.81Å; E28-R312 IonicContact OE1-NH2 3.22Å; E28-R312 PolarHBondContact OE1-NH2 2.69Å; E28-R312 IonicContact OE2-NE 2.85Å; S307-R312 CarbonylContact C-O 3.43Å; S307-R312 VanDerWaalsContact C-O 3.31Å; S307-R312 VanDerWaalsContact CB-O 3.29Å; S307-R312 WeakPolarHBondContact CB-O 3.2Å; S307-R312 PolarHBondContact O-N 3.2Å; L310-R312 VanDerWaalsContact C-N 3.3Å; L310-R312 HydrophobicContact CB-CG 4.04Å; L310-R312 PolarHBondContact O-N 2.67Å |
| 313 | R | 92 | Very high | 92.9 | Very high | 207 Ų | 207 | 63.2 Ų | 63.2 | 78% | 0.781 | 32% | 0.32 | S | S | * | . | trans | -83.9 | 149.4 | 168.9 | -68.2 | -171.5 | 179.6 | -172.6 | -1 | 110.5 | ||||
| 314 | P | 93.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | trans | -55.4 | 147.6 | 167.5 | -19 | 28.4 | 0 | 0 | 0 | 110.9 | A261 S307 S316 A319 N320 | A261-P314 HydrophobicContact CB-CB 4.12Å; S307-P314 WeakPolarHBondContact OG-CG 3.39Å; P314-S316 VanDerWaalsContact C-N 3.33Å; P314-A319 HydrophobicContact CB-CB 4.02Å; P314-A319 HydrophobicContact CG-CB 4.14Å; P314-N320 PolarHBondContact O-ND2 3.27Å | ||
| 315 | Q | 93.8 | Very high | 89.1 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -82.2 | -16.9 | 167 | -61.6 | -178.8 | 47.6 | 0 | 0 | 111.9 | A261 G262 G264 Y317 | A261-Q315 WeakPolarHBondContact O-CB 3.41Å; A261-Q315 PolarHBondContact O-N 3.32Å; G262-Q315 PolarHBondContact O-NE2 2.94Å; G264-Q315 PolarHBondContact O-NE2 3.38Å; Q315-Y317 PolarHBondContact O-N 3Å |
| 316 | S | 96.1 | Very high | 87 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -60 | 130.1 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | E279 D280 P314 I318 A319 N320 | E279-S316 WeakPolarHBondContact CB-OG 3.4Å; D280-S316 PolarHBondContact OD1-OG 3.17Å; P314-S316 VanDerWaalsContact C-N 3.33Å; S316-I318 PolarHBondContact OG-N 2.9Å; S316-I318 VanDerWaalsContact OG-N 3.15Å; S316-A319 PolarHBondContact OG-N 2.71Å; S316-N320 PolarHBondContact O-N 2.92Å; S316-N320 PolarHBondContact O-ND2 2.78Å | ||
| 317 | Y | 95.4 | Very high | 84.8 | Confident | 140 Ų | 140 | 79.4 Ų | 79.4 | 55% | 0.549 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 171 | -61.6 | -74.7 | 0 | 0 | 0 | 111.1 | D280 Q315 N320 N321 | D280-Y317 PolarHBondContact OD1-N 3.21Å; D280-Y317 WeakPolarHBondContact OD2-CD2 3.31Å; D280-Y317 PolarHBondContact OD2-N 3.11Å; Q315-Y317 PolarHBondContact O-N 3Å; Y317-N320 PolarHBondContact O-N 3.31Å; Y317-N321 PolarHBondContact O-N 2.99Å; Y317-N321 PolarHBondContact O-ND2 3.02Å |
| 318 | I | 95.6 | Very high | 82 | Confident | 42 Ų | 42 | 91 Ų | 91 | 22% | 0.215 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | -178.5 | -60.4 | -59.5 | 0 | 0 | 0 | 111.4 | E279 D280 N283 L296 I300 S316 N320 N321 F322 | E279-I318 HydrophobicContact CB-CB 4.27Å; D280-I318 WeakPolarHBondContact OD1-CG1 3.38Å; D280-I318 PolarHBondContact OD1-N 3.11Å; N283-I318 HydrophobicContact CB-CD1 3.96Å; N283-I318 HydrophobicContact CB-CG1 3.73Å; N283-I318 VanDerWaalsContact CG-CD1 3.48Å; L296-I318 HydrophobicContact CD1-CG2 4.29Å; L296-I318 HydrophobicContact CD2-CG2 4.42Å; I300-I318 HydrophobicContact CD1-CG2 3.7Å; I300-I318 HydrophobicContact CG1-CG2 4.35Å; S316-I318 PolarHBondContact OG-N 2.9Å; S316-I318 VanDerWaalsContact OG-N 3.15Å; I318-N320 VanDerWaalsContact C-N 3.26Å; I318-N320 PolarHBondContact O-N 3.44Å; I318-N321 PolarHBondContact O-N 3.2Å; I318-N321 VanDerWaalsContact O-N 3.16Å; I318-F322 PolarHBondContact O-N 2.74Å |
| 319 | A | 95 | Very high | 81.4 | Confident | 3 Ų | 3 | 90.2 Ų | 90.2 | 3% | 0.025 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.5 | -30.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | E279 I300 S303 Q304 P314 S316 | E279-A319 HydrophobicContact CG-CB 4.38Å; I300-A319 HydrophobicContact CG2-CB 4.31Å; S303-A319 WeakPolarHBondContact OG-CB 3.44Å; Q304-A319 PolarHBondContact NE2-O 2.74Å; P314-A319 HydrophobicContact CB-CB 4.02Å; P314-A319 HydrophobicContact CG-CB 4.14Å; S316-A319 PolarHBondContact OG-N 2.71Å |
| 320 | N | 94.3 | Very high | 80.6 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78.2 | -23.9 | 177.4 | -77.6 | -50.6 | 0 | 0 | 0 | 113.5 | P314 S316 Y317 I318 | P314-N320 PolarHBondContact O-ND2 3.27Å; S316-N320 PolarHBondContact O-N 2.92Å; S316-N320 PolarHBondContact O-ND2 2.78Å; Y317-N320 PolarHBondContact O-N 3.31Å; I318-N320 VanDerWaalsContact C-N 3.26Å; I318-N320 PolarHBondContact O-N 3.44Å |
| 321 | N | 90.8 | Very high | 79.9 | Confident | 97 Ų | 97 | 96.8 Ų | 96.8 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -108.2 | 3.2 | -178.3 | -67.8 | -79.9 | 0 | 0 | 0 | 113.1 | Y317 I318 G323 C324 | Y317-N321 PolarHBondContact O-N 2.99Å; Y317-N321 PolarHBondContact O-ND2 3.02Å; I318-N321 PolarHBondContact O-N 3.2Å; I318-N321 VanDerWaalsContact O-N 3.16Å; N321-G323 PolarHBondContact O-N 3.47Å; N321-C324 VanDerWaalsContact O-CB 3.31Å; N321-C324 WeakPolarHBondContact O-CB 3.39Å; N321-C324 PolarHBondContact O-N 3.03Å |
| 322 | F | 81 | Confident | 79.2 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.9 | 177.9 | -168.4 | -108.2 | 0 | 0 | 0 | 111 | D297 I300 I318 | D297-F322 HydrophobicContact CB-CZ 4.3Å; D297-F322 VanDerWaalsContact OD1-CE2 3.28Å; D297-F322 WeakPolarHBondContact OD1-CE2 3.36Å; D297-F322 WeakPolarHBondContact OD1-CZ 3.5Å; I300-F322 HydrophobicContact CD1-CB 4.17Å; I300-F322 HydrophobicContact CD1-CD2 3.22Å; I300-F322 HydrophobicContact CD1-CE2 3.64Å; I300-F322 HydrophobicContact CD1-CG 3.8Å; I300-F322 HydrophobicContact CG1-CD2 4.45Å; I300-F322 HydrophobicContact CG2-CB 3.75Å; I300-F322 HydrophobicContact CG2-CD1 3.88Å; I300-F322 HydrophobicContact CG2-CD2 4.26Å; I300-F322 HydrophobicContact CG2-CG 3.71Å; I318-F322 PolarHBondContact O-N 2.74Å |
| 323 | G | 72.1 | Confident | 78.4 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 76% | 0.763 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N321 | N321-G323 PolarHBondContact O-N 3.47Š|
| 324 | C | 64 | Low | 77.5 | Confident | 79 Ų | 79 | 87.6 Ų | 87.6 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -68.7 | 143.9 | 160.6 | -75.8 | 0 | 0 | 0 | 0 | 109.3 | N321 S326 | N321-C324 VanDerWaalsContact O-CB 3.31Å; N321-C324 WeakPolarHBondContact O-CB 3.39Å; N321-C324 PolarHBondContact O-N 3.03Å; C324-S326 PolarHBondContact O-N 2.98Å; C324-S326 VanDerWaalsContact O-N 3.07Å |
| 325 | P | 50.2 | Low | 76.4 | Confident | 127 Ų | 127 | 92.7 Ų | 92.7 | 83% | 0.825 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 120.8 | 175.9 | -3.3 | 6 | 0 | 0 | 0 | 109.2 | ||
| 326 | S | 54.9 | Low | 75 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 141.6 | 174.8 | 43 | 0 | 0 | 0 | 0 | 109.6 | C324 E328 | C324-S326 PolarHBondContact O-N 2.98Å; C324-S326 VanDerWaalsContact O-N 3.07Å; S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 2.79Å; S326-E328 VanDerWaalsContact O-N 3.08Å |
| 327 | I | 49.3 | Very low | 73.3 | Confident | 174 Ų | 174 | 104.3 Ų | 104.3 | 89% | 0.892 | 58% | 0.581 | S | S | * | * | trans | -73.8 | 95.5 | 161 | -55.6 | 172.3 | 0 | 0 | 0 | 104.7 | ||||
| 328 | E | 36.7 | Very low | 71.3 | Confident | 246 Ų | 246 | 101.1 Ų | 101.1 | 100% | 1.15 | 58% | 0.584 | S | S | * | * | trans | -61.9 | 0 | 161.5 | -73.9 | -173.9 | 168.9 | 0 | 0 | 110.5 | S326 | S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 2.79Å; S326-E328 VanDerWaalsContact O-N 3.08Å |
Retrieved 328 of 328 residues in 407 ms
(Link to these results)