| 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 | 36.7 | Very low | 79.6 | Confident | 240 Ų | 240 | 134.4 Ų | 134.4 | 100% | 1.182 | 66% | 0.657 | S | S | * | * | 0 | 101.7 | 0 | -137.8 | 171.8 | 64 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 3.06Š| |||
| 2 | V | 54.1 | Low | 81 | Confident | 141 Ų | 141 | 129.1 Ų | 129.1 | 86% | 0.855 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -72 | 117.8 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 106.2 | E4 | V2-E4 PolarHBondContact O-N 3.32Š|
| 3 | K | 62 | Low | 82.2 | Confident | 190 Ų | 190 | 119.2 Ų | 119.2 | 83% | 0.826 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 119.4 | 177.7 | -164.5 | 175.3 | -174.6 | 177.8 | 0 | 107.6 | M1 K5 | M1-K3 PolarHBondContact O-N 3.06Å; K3-K5 PolarHBondContact O-N 2.74Å |
| 4 | E | 76.6 | Confident | 83.2 | Confident | 188 Ų | 188 | 111.8 Ų | 111.8 | 88% | 0.879 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.1 | -179.6 | -149.9 | 171 | -166 | 0 | 0 | 108.9 | V2 | V2-E4 PolarHBondContact O-N 3.32Š|
| 5 | K | 85.2 | Confident | 84.1 | Confident | 67 Ų | 67 | 108.7 Ų | 108.7 | 29% | 0.291 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 137.3 | -176.9 | -69.6 | -178.4 | 179.7 | -176.2 | 0 | 108.6 | K3 K9 E10 E13 E82 | K3-K5 PolarHBondContact O-N 2.74Å; K5-K9 HydrophobicContact CB-CG 4.38Å; K5-K9 HydrophobicContact CD-CG 4.34Å; K5-K9 HydrophobicContact CG-CG 4.45Å; K5-E10 HydrophobicContact CB-CG 3.75Å; K5-E10 HydrophobicContact CD-CG 4.36Å; K5-E13 WeakPolarHBondContact CE-OE1 3.3Å; K5-E13 IonicContact NZ-OE1 2.87Å; K5-E13 PolarHBondContact NZ-OE1 3.45Å; K5-E13 IonicContact NZ-OE2 2.72Å; K5-E13 PolarHBondContact NZ-OE2 3.48Å; K5-E82 PolarHBondContact NZ-O 3.45Å |
| 6 | T | 92.1 | Very high | 84.9 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 146.6 | 170.1 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | L8 K9 E10 | T6-L8 PolarHBondContact O-N 3.35Å; T6-L8 VanDerWaalsContact O-N 3.16Å; T6-K9 WeakPolarHBondContact O-CA 3.43Å; T6-K9 WeakPolarHBondContact O-CB 3.06Å; T6-K9 PolarHBondContact O-N 2.61Å; T6-K9 VanDerWaalsContact OG1-CB 3.26Å; T6-K9 WeakPolarHBondContact OG1-CB 3.39Å; T6-K9 PolarHBondContact OG1-N 3.35Å; T6-E10 PolarHBondContact O-N 2.95Å; T6-E10 VanDerWaalsContact O-N 3.17Å |
| 7 | Q | 92.6 | Very high | 85.6 | Confident | 172 Ų | 172 | 96.5 Ų | 96.5 | 80% | 0.804 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -53 | -39.6 | 177.6 | -68.9 | -179.6 | -17.5 | 0 | 0 | 113.3 | K9 E10 F11 | Q7-K9 VanDerWaalsContact C-N 3.32Å; Q7-K9 PolarHBondContact O-N 2.81Å; Q7-E10 PolarHBondContact O-N 3.15Å; Q7-F11 WeakPolarHBondContact O-CB 3.27Å; Q7-F11 PolarHBondContact O-N 2.96Å |
| 8 | L | 93.4 | Very high | 86.1 | Confident | 116 Ų | 116 | 94 Ų | 94 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 176.3 | 178.4 | 61.7 | 0 | 0 | 0 | 112 | T6 F11 L12 | T6-L8 PolarHBondContact O-N 3.35Å; T6-L8 VanDerWaalsContact O-N 3.16Å; L8-F11 PolarHBondContact O-N 3.04Å; L8-L12 HydrophobicContact CD1-CD1 4.27Å; L8-L12 HydrophobicContact CD1-CG 4.25Å; L8-L12 HydrophobicContact CG-CD1 4.12Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 2.92Å |
| 9 | K | 94.7 | Very high | 86.6 | Confident | 54 Ų | 54 | 91.9 Ų | 91.9 | 24% | 0.235 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 177.6 | 176.4 | 62.2 | 170 | 167.2 | 0 | 110.6 | K5 T6 Q7 F11 L12 E13 | K5-K9 HydrophobicContact CB-CG 4.38Å; K5-K9 HydrophobicContact CD-CG 4.34Å; K5-K9 HydrophobicContact CG-CG 4.45Å; T6-K9 WeakPolarHBondContact O-CA 3.43Å; T6-K9 WeakPolarHBondContact O-CB 3.06Å; T6-K9 PolarHBondContact O-N 2.61Å; T6-K9 VanDerWaalsContact OG1-CB 3.26Å; T6-K9 WeakPolarHBondContact OG1-CB 3.39Å; T6-K9 PolarHBondContact OG1-N 3.35Å; Q7-K9 VanDerWaalsContact C-N 3.32Å; Q7-K9 PolarHBondContact O-N 2.81Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 2.94Å; K9-L12 PolarHBondContact O-N 3.34Å; K9-E13 HydrophobicContact CD-CG 4.35Å; K9-E13 WeakPolarHBondContact CE-OE1 3.17Å; K9-E13 IonicContact NZ-OE1 3.37Å; K9-E13 VanDerWaalsContact O-CG 3.25Å; K9-E13 WeakPolarHBondContact O-CG 3.44Å; K9-E13 PolarHBondContact O-N 2.97Å |
| 10 | E | 93.6 | Very high | 87.1 | Confident | 85 Ų | 85 | 88.1 Ų | 88.1 | 40% | 0.397 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.5 | -62.8 | -171.3 | 146.9 | 0 | 0 | 112.7 | K5 T6 Q7 A14 R269 | K5-E10 HydrophobicContact CB-CG 3.75Å; K5-E10 HydrophobicContact CD-CG 4.36Å; T6-E10 PolarHBondContact O-N 2.95Å; T6-E10 VanDerWaalsContact O-N 3.17Å; Q7-E10 PolarHBondContact O-N 3.15Å; E10-A14 WeakPolarHBondContact O-CB 3.49Å; E10-A14 PolarHBondContact O-N 2.83Å; E10-R269 PolarHBondContact O-NH2 2.93Å |
| 11 | F | 94.6 | Very high | 87.5 | Confident | 129 Ų | 129 | 83.9 Ų | 83.9 | 57% | 0.566 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.2 | -48.6 | 174.8 | 176.4 | -102.5 | 0 | 0 | 0 | 111.7 | Q7 L8 K9 E13 A14 V15 | Q7-F11 WeakPolarHBondContact O-CB 3.27Å; Q7-F11 PolarHBondContact O-N 2.96Å; L8-F11 PolarHBondContact O-N 3.04Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 2.94Å; F11-E13 VanDerWaalsContact C-N 3.31Å; F11-E13 PolarHBondContact O-N 2.93Å; F11-A14 PolarHBondContact O-N 3.31Å; F11-V15 HydrophobicContact CD1-CG2 4.28Å; F11-V15 HydrophobicContact CD2-CG2 4.26Å; F11-V15 HydrophobicContact CE1-CG2 3.87Å; F11-V15 HydrophobicContact CE2-CG2 3.83Å; F11-V15 HydrophobicContact CG-CG2 4.47Å; F11-V15 HydrophobicContact CZ-CG2 3.62Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 3.38Å |
| 12 | L | 96.6 | Very high | 90.3 | Very high | 71 Ų | 71 | 75.7 Ų | 75.7 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 178.1 | -70.6 | 172.6 | 0 | 0 | 0 | 112.1 | L8 K9 S16 Q79 | L8-L12 HydrophobicContact CD1-CD1 4.27Å; L8-L12 HydrophobicContact CD1-CG 4.25Å; L8-L12 HydrophobicContact CG-CD1 4.12Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 2.92Å; K9-L12 PolarHBondContact O-N 3.34Å; L12-S16 VanDerWaalsContact O-CB 3.25Å; L12-S16 WeakPolarHBondContact O-CB 3.3Å; L12-S16 PolarHBondContact O-N 3.16Å; L12-S16 PolarHBondContact O-OG 3.18Å; L12-Q79 HydrophobicContact CB-CG 4.5Å |
| 13 | E | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 172.9 | -70.5 | 174.1 | 176.1 | 0 | 0 | 111.7 | K5 K9 F11 S16 V17 Q79 E82 Y83 R269 | K5-E13 WeakPolarHBondContact CE-OE1 3.3Å; K5-E13 IonicContact NZ-OE1 2.87Å; K5-E13 PolarHBondContact NZ-OE1 3.45Å; K5-E13 IonicContact NZ-OE2 2.72Å; K5-E13 PolarHBondContact NZ-OE2 3.48Å; K9-E13 HydrophobicContact CD-CG 4.35Å; K9-E13 WeakPolarHBondContact CE-OE1 3.17Å; K9-E13 IonicContact NZ-OE1 3.37Å; K9-E13 VanDerWaalsContact O-CG 3.25Å; K9-E13 WeakPolarHBondContact O-CG 3.44Å; K9-E13 PolarHBondContact O-N 2.97Å; F11-E13 VanDerWaalsContact C-N 3.31Å; F11-E13 PolarHBondContact O-N 2.93Å; E13-S16 WeakPolarHBondContact O-CB 3.29Å; E13-S16 PolarHBondContact O-N 3.43Å; E13-V17 PolarHBondContact O-N 2.99Å; E13-Q79 HydrophobicContact CG-CB 4.41Å; E13-E82 HydrophobicContact CG-CB 4.43Å; E13-E82 WeakPolarHBondContact OE1-CB 3.17Å; E13-Y83 HydrophobicContact CB-CD2 3.85Å; E13-Y83 HydrophobicContact CB-CG 4.44Å; E13-R269 IonicContact OE2-CZ 2.62Å; E13-R269 IonicContact OE2-NH1 2.64Å; E13-R269 PolarHBondContact OE2-NH1 3.41Å; E13-R269 IonicContact OE2-NH2 2.74Å |
| 14 | A | 96 | Very high | 93.6 | Very high | 16 Ų | 16 | 65.7 Ų | 65.7 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E10 F11 S16 V17 L18 Y83 L266 | E10-A14 WeakPolarHBondContact O-CB 3.49Å; E10-A14 PolarHBondContact O-N 2.83Å; F11-A14 PolarHBondContact O-N 3.31Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.72Å; A14-V17 PolarHBondContact O-N 3.17Å; A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.44Å; A14-L18 PolarHBondContact O-N 3.36Å; A14-Y83 HydrophobicContact CB-CE2 4.25Å; A14-L266 HydrophobicContact CB-CD1 4.34Å; A14-L266 HydrophobicContact CB-CD2 4.09Å; A14-L266 WeakPolarHBondContact O-CD1 3.22Å |
| 15 | V | 96.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | F11 L18 Q19 | F11-V15 HydrophobicContact CD1-CG2 4.28Å; F11-V15 HydrophobicContact CD2-CG2 4.26Å; F11-V15 HydrophobicContact CE1-CG2 3.87Å; F11-V15 HydrophobicContact CE2-CG2 3.83Å; F11-V15 HydrophobicContact CG-CG2 4.47Å; F11-V15 HydrophobicContact CZ-CG2 3.62Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 3.38Å; V15-L18 PolarHBondContact O-N 2.83Å; V15-Q19 WeakPolarHBondContact O-CB 3.25Å; V15-Q19 PolarHBondContact O-N 3.37Å |
| 16 | S | 97.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 179.3 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | L12 E13 A14 W20 V76 Q79 | L12-S16 VanDerWaalsContact O-CB 3.25Å; L12-S16 WeakPolarHBondContact O-CB 3.3Å; L12-S16 PolarHBondContact O-N 3.16Å; L12-S16 PolarHBondContact O-OG 3.18Å; E13-S16 WeakPolarHBondContact O-CB 3.29Å; E13-S16 PolarHBondContact O-N 3.43Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.72Å; S16-W20 PolarHBondContact O-N 3.38Å; S16-V76 WeakPolarHBondContact CB-O 3.41Å; S16-V76 WeakPolarHBondContact OG-CG2 3.34Å; S16-Q79 WeakPolarHBondContact OG-CB 3.17Å |
| 17 | V | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | E13 A14 Q19 W20 V21 F80 Y83 F84 L266 P267 | E13-V17 PolarHBondContact O-N 2.99Å; A14-V17 PolarHBondContact O-N 3.17Å; V17-Q19 VanDerWaalsContact C-N 3.33Å; V17-Q19 PolarHBondContact O-N 3.1Å; V17-W20 WeakPolarHBondContact O-CB 3.11Å; V17-W20 PolarHBondContact O-N 3.07Å; V17-W20 VanDerWaalsContact O-N 3.14Å; V17-V21 HydrophobicContact CG1-CG2 4.41Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.18Å; V17-F80 HydrophobicContact CB-CD2 4.43Å; V17-F80 HydrophobicContact CG2-CD2 3.77Å; V17-F80 HydrophobicContact CG2-CE2 4.28Å; V17-F80 HydrophobicContact CG2-CG 4.35Å; V17-Y83 HydrophobicContact CB-CD1 4.4Å; V17-Y83 HydrophobicContact CB-CG 4.36Å; V17-Y83 HydrophobicContact CG1-CD1 4.44Å; V17-Y83 HydrophobicContact CG1-CE1 4.4Å; V17-Y83 HydrophobicContact CG2-CD1 3.65Å; V17-Y83 HydrophobicContact CG2-CD2 4Å; V17-Y83 HydrophobicContact CG2-CE1 4.33Å; V17-Y83 HydrophobicContact CG2-CG 3.46Å; V17-Y83 VanDerWaalsContact CG2-CG 3.46Å; V17-F84 HydrophobicContact CB-CE2 4.43Å; V17-F84 HydrophobicContact CG1-CE2 3.8Å; V17-F84 HydrophobicContact CG1-CZ 3.71Å; V17-F84 HydrophobicContact CG2-CD2 4.3Å; V17-F84 HydrophobicContact CG2-CE2 3.68Å; V17-F84 HydrophobicContact CG2-CZ 4.27Å; V17-L266 HydrophobicContact CB-CD1 4.27Å; V17-L266 HydrophobicContact CG1-CD1 4.23Å; V17-P267 HydrophobicContact CG1-CG 3.54Å |
| 18 | L | 95.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.8 | -172.9 | 63.1 | 0 | 0 | 0 | 111.5 | A14 V15 W20 V21 L22 L265 L266 | A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.44Å; A14-L18 PolarHBondContact O-N 3.36Å; V15-L18 PolarHBondContact O-N 2.83Å; L18-W20 VanDerWaalsContact C-N 3.28Å; L18-W20 PolarHBondContact O-N 2.78Å; L18-V21 PolarHBondContact O-N 3.5Å; L18-L22 HydrophobicContact CD1-CD1 4.31Å; L18-L22 HydrophobicContact CD1-CD2 4.48Å; L18-L22 HydrophobicContact CD1-CG 4.11Å; L18-L22 HydrophobicContact CD2-CD1 4.43Å; L18-L22 HydrophobicContact CG-CD1 3.88Å; L18-L22 HydrophobicContact CG-CG 4.12Å; L18-L22 WeakPolarHBondContact O-CB 3.03Å; L18-L22 VanDerWaalsContact O-CG 3.22Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.86Å; L18-L265 HydrophobicContact CD1-CB 4.33Å; L18-L266 HydrophobicContact CB-CD1 4.3Å |
| 19 | Q | 95.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.4 | -44 | 173.1 | 177.2 | -87 | -49.2 | 0 | 0 | 111.3 | V15 V17 S23 Y151 | V15-Q19 WeakPolarHBondContact O-CB 3.25Å; V15-Q19 PolarHBondContact O-N 3.37Å; V17-Q19 VanDerWaalsContact C-N 3.33Å; V17-Q19 PolarHBondContact O-N 3.1Å; Q19-S23 PolarHBondContact NE2-OG 2.88Å; Q19-S23 VanDerWaalsContact O-CB 3.28Å; Q19-S23 WeakPolarHBondContact O-CB 3.35Å; Q19-S23 PolarHBondContact O-N 3.03Å; Q19-S23 PolarHBondContact O-OG 2.75Å; Q19-Y151 PolarHBondContact NE2-OH 3.19Å |
| 20 | W | 96.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 176.3 | 176.5 | 81.1 | 0 | 0 | 0 | 112.4 | S16 V17 L18 S23 F24 W77 F80 M110 A112 F115 | S16-W20 PolarHBondContact O-N 3.38Å; V17-W20 WeakPolarHBondContact O-CB 3.11Å; V17-W20 PolarHBondContact O-N 3.07Å; V17-W20 VanDerWaalsContact O-N 3.14Å; L18-W20 VanDerWaalsContact C-N 3.28Å; L18-W20 PolarHBondContact O-N 2.78Å; W20-S23 PolarHBondContact O-N 2.91Å; W20-F24 PolarHBondContact O-N 2.76Å; W20-W77 HydrophobicContact CB-CZ3 4.43Å; W20-F80 HydrophobicContact CB-CD2 4.14Å; W20-F80 HydrophobicContact CB-CE2 4.06Å; W20-F80 HydrophobicContact CD2-CD2 4.46Å; W20-F80 AromaticContact CD2-CE2 3.54Å; W20-F80 HydrophobicContact CD2-CE2 3.54Å; W20-F80 HydrophobicContact CD2-CZ 4.15Å; W20-F80 AromaticContact CE3-CE2 3.61Å; W20-F80 HydrophobicContact CE3-CE2 3.61Å; W20-F80 HydrophobicContact CE3-CZ 4.22Å; W20-F80 HydrophobicContact CG-CD2 4.24Å; W20-F80 AromaticContact CG-CE2 3.75Å; W20-F80 HydrophobicContact CG-CE2 3.75Å; W20-F80 HydrophobicContact CH2-CZ 4.41Å; W20-F80 HydrophobicContact CZ2-CZ 4.4Å; W20-F80 HydrophobicContact CZ3-CE2 4.15Å; W20-F80 HydrophobicContact CZ3-CZ 4.34Å; W20-M110 HydrophobicContact CE3-CE 3.97Å; W20-M110 HydrophobicContact CH2-CB 3.3Å; W20-M110 HydrophobicContact CH2-CE 3.98Å; W20-M110 HydrophobicContact CH2-CG 4.41Å; W20-M110 VanDerWaalsContact CH2-O 3.3Å; W20-M110 WeakPolarHBondContact CH2-O 3.39Å; W20-M110 HydrophobicContact CH2-SD 4.45Å; W20-M110 HydrophobicContact CZ2-CB 4.12Å; W20-M110 HydrophobicContact CZ2-CE 4.45Å; W20-M110 VanDerWaalsContact CZ2-O 3.29Å; W20-M110 WeakPolarHBondContact CZ2-O 3.41Å; W20-M110 HydrophobicContact CZ3-CB 3.82Å; W20-M110 HydrophobicContact CZ3-CE 3.69Å; W20-M110 HydrophobicContact CZ3-SD 4.05Å; W20-A112 HydrophobicContact CH2-CB 3.94Å; W20-A112 HydrophobicContact CZ3-CB 4.45Å; W20-F115 AromaticContact CD1-CD1 3.74Å; W20-F115 AromaticContact CD1-CE1 3.41Å; W20-F115 VanDerWaalsContact CD1-CE1 3.41Å; W20-F115 AromaticContact CD1-CZ 3.76Å; W20-F115 HydrophobicContact CG-CE1 4.48Å; W20-F115 HydrophobicContact CZ2-CB 4.28Å; W20-F115 HydrophobicContact CZ2-CG 4.43Å; W20-F115 AromaticContact NE1-CD1 3.24Å; W20-F115 AromaticContact NE1-CD2 3.85Å; W20-F115 AromaticContact NE1-CE1 3.39Å; W20-F115 AromaticContact NE1-CE2 3.98Å; W20-F115 AromaticContact NE1-CG 3.49Å; W20-F115 AromaticContact NE1-CZ 3.77Å |
| 21 | V | 95.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V17 L18 S23 F24 L25 M110 F229 L265 P267 | V17-V21 HydrophobicContact CG1-CG2 4.41Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.18Å; L18-V21 PolarHBondContact O-N 3.5Å; V21-S23 VanDerWaalsContact C-N 3.27Å; V21-S23 PolarHBondContact O-N 2.9Å; V21-F24 PolarHBondContact O-N 2.97Å; V21-L25 HydrophobicContact CG1-CD1 3.78Å; V21-L25 HydrophobicContact CG1-CG 4.36Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 3.43Å; V21-M110 HydrophobicContact CB-CE 4.32Å; V21-M110 HydrophobicContact CG1-CE 4.35Å; V21-M110 HydrophobicContact CG1-SD 4.28Å; V21-M110 HydrophobicContact CG2-CE 4.19Å; V21-M110 HydrophobicContact CG2-SD 4.16Å; V21-F229 HydrophobicContact CG2-CZ 4.33Å; V21-L265 HydrophobicContact CG1-CB 4.48Å; V21-P267 HydrophobicContact CG2-CG 3.85Å |
| 22 | L | 94.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 179.3 | -66.5 | 177 | 0 | 0 | 0 | 111.8 | L18 F26 L27 L265 | L18-L22 HydrophobicContact CD1-CD1 4.31Å; L18-L22 HydrophobicContact CD1-CD2 4.48Å; L18-L22 HydrophobicContact CD1-CG 4.11Å; L18-L22 HydrophobicContact CD2-CD1 4.43Å; L18-L22 HydrophobicContact CG-CD1 3.88Å; L18-L22 HydrophobicContact CG-CG 4.12Å; L18-L22 WeakPolarHBondContact O-CB 3.03Å; L18-L22 VanDerWaalsContact O-CG 3.22Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.86Å; L22-F26 HydrophobicContact CB-CD2 4.44Å; L22-F26 HydrophobicContact CD2-CD2 3.66Å; L22-F26 HydrophobicContact CD2-CE2 3.69Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 3.18Å; L22-L27 PolarHBondContact O-N 2.89Å; L22-L265 HydrophobicContact CD2-CD1 4.21Å |
| 23 | S | 94.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.119 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -66.8 | -41.3 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | Q19 W20 V21 L27 | Q19-S23 PolarHBondContact NE2-OG 2.88Å; Q19-S23 VanDerWaalsContact O-CB 3.28Å; Q19-S23 WeakPolarHBondContact O-CB 3.35Å; Q19-S23 PolarHBondContact O-N 3.03Å; Q19-S23 PolarHBondContact O-OG 2.75Å; W20-S23 PolarHBondContact O-N 2.91Å; V21-S23 VanDerWaalsContact C-N 3.27Å; V21-S23 PolarHBondContact O-N 2.9Å; S23-L27 WeakPolarHBondContact O-CB 3.02Å; S23-L27 PolarHBondContact O-N 3.37Å |
| 24 | F | 91.8 | Very high | 95.7 | Very high | 105 Ų | 105 | 49.6 Ų | 49.6 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -65.5 | -42.5 | 176.3 | 175.7 | -90.8 | 0 | 0 | 0 | 112.3 | W20 V21 M110 | W20-F24 PolarHBondContact O-N 2.76Å; V21-F24 PolarHBondContact O-N 2.97Å; F24-M110 HydrophobicContact CB-CE 3.37Å; F24-M110 HydrophobicContact CD1-CE 3.27Å; F24-M110 HydrophobicContact CD1-CG 4.35Å; F24-M110 HydrophobicContact CD1-SD 4.22Å; F24-M110 HydrophobicContact CD2-CE 4.14Å; F24-M110 HydrophobicContact CE1-CE 4.03Å; F24-M110 HydrophobicContact CE1-CG 4.17Å; F24-M110 HydrophobicContact CG-CE 3.33Å |
| 25 | L | 91.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -80.4 | -43.2 | -175.3 | -66.7 | 176.3 | 0 | 0 | 0 | 113.7 | V21 F258 L265 | V21-L25 HydrophobicContact CG1-CD1 3.78Å; V21-L25 HydrophobicContact CG1-CG 4.36Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 3.43Å; L25-F258 HydrophobicContact CD1-CZ 4.06Å; L25-F258 HydrophobicContact CD2-CE1 4.21Å; L25-F258 HydrophobicContact CD2-CZ 4.24Å; L25-L265 HydrophobicContact CD1-CD2 4.01Å |
| 26 | F | 94.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 45% | 0.452 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -121.5 | -21.8 | -161.4 | -56.4 | -63.3 | 0 | 0 | 0 | 114.6 | L22 G28 L29 A30 L265 | L22-F26 HydrophobicContact CB-CD2 4.44Å; L22-F26 HydrophobicContact CD2-CD2 3.66Å; L22-F26 HydrophobicContact CD2-CE2 3.69Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 3.18Å; F26-G28 PolarHBondContact O-N 3.49Å; F26-L29 PolarHBondContact O-N 2.91Å; F26-A30 WeakPolarHBondContact O-CB 3.31Å; F26-A30 PolarHBondContact O-N 3.33Å; F26-L265 HydrophobicContact CE2-CD1 4.44Å |
| 27 | L | 96.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 29% | 0.293 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -62.7 | -43.8 | -174 | -177.3 | 59.5 | 0 | 0 | 0 | 112.1 | L22 S23 L29 A30 C31 F148 Y151 | L22-L27 PolarHBondContact O-N 2.89Å; S23-L27 WeakPolarHBondContact O-CB 3.02Å; S23-L27 PolarHBondContact O-N 3.37Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.94Å; L27-A30 PolarHBondContact O-N 3.03Å; L27-C31 WeakPolarHBondContact O-CB 3.46Å; L27-C31 PolarHBondContact O-N 3.07Å; L27-C31 PolarHBondContact O-SG 3.26Å; L27-F148 HydrophobicContact CB-CD2 4.09Å; L27-F148 HydrophobicContact CB-CE2 4.02Å; L27-F148 HydrophobicContact CD2-CD2 3.78Å; L27-F148 HydrophobicContact CD2-CE2 3.93Å; L27-F148 HydrophobicContact CG-CD2 3.78Å; L27-F148 HydrophobicContact CG-CE2 4.13Å; L27-Y151 HydrophobicContact CD2-CD1 3.63Å; L27-Y151 HydrophobicContact CD2-CE1 3.92Å; L27-Y151 HydrophobicContact CD2-CG 4.14Å |
| 28 | G | 95.3 | Very high | 96 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | F26 C31 I32 I145 | F26-G28 PolarHBondContact O-N 3.49Å; G28-C31 PolarHBondContact O-N 3.47Å; G28-I32 WeakPolarHBondContact O-CG1 3.38Å; G28-I32 PolarHBondContact O-N 2.59Å; G28-I32 VanDerWaalsContact O-N 3.11Å; G28-I145 WeakPolarHBondContact O-CG2 3.13Å |
| 29 | L | 94.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 58.9 Ų | 58.9 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.8 | 179.2 | 60.6 | 0 | 0 | 0 | 111.6 | F26 L27 C31 I32 I33 | F26-L29 PolarHBondContact O-N 2.91Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.94Å; L29-C31 VanDerWaalsContact C-N 3.3Å; L29-C31 PolarHBondContact O-N 3Å; L29-I32 PolarHBondContact O-N 3.35Å; L29-I32 VanDerWaalsContact O-N 3.17Å; L29-I33 HydrophobicContact CD1-CD1 4.08Å; L29-I33 HydrophobicContact CD1-CG1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 HydrophobicContact CG-CG1 4.49Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 2.93Å |
| 30 | A | 97.6 | Very high | 96.1 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F26 L27 I33 L34 | F26-A30 WeakPolarHBondContact O-CB 3.31Å; F26-A30 PolarHBondContact O-N 3.33Å; L27-A30 PolarHBondContact O-N 3.03Å; A30-I33 PolarHBondContact O-N 3.29Å; A30-L34 VanDerWaalsContact O-CB 3.24Å; A30-L34 WeakPolarHBondContact O-CB 3.33Å; A30-L34 PolarHBondContact O-N 3.45Å |
| 31 | C | 97.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 174.7 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | L27 G28 L29 L34 M35 P146 L147 | L27-C31 WeakPolarHBondContact O-CB 3.46Å; L27-C31 PolarHBondContact O-N 3.07Å; L27-C31 PolarHBondContact O-SG 3.26Å; G28-C31 PolarHBondContact O-N 3.47Å; L29-C31 VanDerWaalsContact C-N 3.3Å; L29-C31 PolarHBondContact O-N 3Å; C31-L34 PolarHBondContact O-N 3.24Å; C31-M35 WeakPolarHBondContact O-CB 3.28Å; C31-M35 WeakPolarHBondContact O-CG 3.2Å; C31-M35 PolarHBondContact O-N 3.47Å; C31-P146 VanDerWaalsContact CB-O 3.23Å; C31-P146 WeakPolarHBondContact CB-O 3.49Å; C31-L147 HydrophobicContact CB-CB 4.1Å |
| 32 | I | 96.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 35% | 0.354 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -51 | 175.8 | -67.3 | 167.2 | 0 | 0 | 0 | 110.4 | G28 L29 L34 M35 V36 I145 | G28-I32 WeakPolarHBondContact O-CG1 3.38Å; G28-I32 PolarHBondContact O-N 2.59Å; G28-I32 VanDerWaalsContact O-N 3.11Å; L29-I32 PolarHBondContact O-N 3.35Å; L29-I32 VanDerWaalsContact O-N 3.17Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.42Å; I32-M35 PolarHBondContact O-N 2.75Å; I32-V36 HydrophobicContact CG2-CG2 4.31Å; I32-V36 WeakPolarHBondContact O-CB 3.26Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 3.47Å; I32-I145 HydrophobicContact CD1-CG1 4.42Å; I32-I145 HydrophobicContact CD1-CG2 4.06Å; I32-I145 HydrophobicContact CG1-CG2 3.82Å |
| 33 | I | 98 | Very high | 96.5 | Very high | 103 Ų | 103 | 71.8 Ų | 71.8 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 179.8 | -68.4 | 168.7 | 0 | 0 | 0 | 110.1 | L29 A30 V36 Y37 | L29-I33 HydrophobicContact CD1-CD1 4.08Å; L29-I33 HydrophobicContact CD1-CG1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 HydrophobicContact CG-CG1 4.49Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 2.93Å; A30-I33 PolarHBondContact O-N 3.29Å; I33-V36 PolarHBondContact O-N 2.92Å; I33-Y37 WeakPolarHBondContact O-CB 2.77Å; I33-Y37 PolarHBondContact O-N 3.48Å |
| 34 | L | 97.8 | Very high | 96.7 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 42% | 0.424 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 177.2 | 177.6 | 63.8 | 0 | 0 | 0 | 111.6 | A30 C31 I32 V36 Y37 L38 L147 | A30-L34 VanDerWaalsContact O-CB 3.24Å; A30-L34 WeakPolarHBondContact O-CB 3.33Å; A30-L34 PolarHBondContact O-N 3.45Å; C31-L34 PolarHBondContact O-N 3.24Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.42Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-V36 PolarHBondContact O-N 3.25Å; L34-Y37 PolarHBondContact O-N 3.31Å; L34-L38 HydrophobicContact CD1-CD1 3.97Å; L34-L38 HydrophobicContact CD1-CD2 4.49Å; L34-L38 HydrophobicContact CD1-CG 4.02Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 HydrophobicContact CG-CG 4.42Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.2Å; L34-L38 PolarHBondContact O-N 2.76Å; L34-L147 HydrophobicContact CD2-CD1 4.12Å |
| 35 | M | 97.8 | Very high | 97 | Very high | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | -178.5 | -71.1 | -67.9 | -70.4 | 0 | 0 | 111.8 | C31 I32 M39 P47 Y50 F51 P146 L147 | C31-M35 WeakPolarHBondContact O-CB 3.28Å; C31-M35 WeakPolarHBondContact O-CG 3.2Å; C31-M35 PolarHBondContact O-N 3.47Å; I32-M35 PolarHBondContact O-N 2.75Å; M35-M39 WeakPolarHBondContact O-CG 3.21Å; M35-M39 PolarHBondContact O-N 2.93Å; M35-P47 HydrophobicContact CE-CB 3.48Å; M35-P47 VanDerWaalsContact CE-CB 3.48Å; M35-P47 HydrophobicContact SD-CB 4.03Å; M35-Y50 HydrophobicContact CE-CD1 3.4Å; M35-Y50 VanDerWaalsContact CE-CD1 3.4Å; M35-Y50 HydrophobicContact CE-CE1 4.12Å; M35-Y50 HydrophobicContact CE-CG 3.96Å; M35-F51 HydrophobicContact CB-CZ 4.29Å; M35-F51 HydrophobicContact CE-CD2 4.19Å; M35-F51 HydrophobicContact CE-CE1 4.16Å; M35-F51 HydrophobicContact CE-CE2 3.67Å; M35-F51 HydrophobicContact CE-CZ 3.65Å; M35-P146 HydrophobicContact CB-CG 4.31Å; M35-P146 HydrophobicContact CE-CB 4.11Å; M35-P146 HydrophobicContact CG-CB 4.03Å; M35-P146 HydrophobicContact CG-CG 3.83Å; M35-L147 HydrophobicContact CG-CD1 4.11Å; M35-L147 HydrophobicContact CG-CG 4.38Å; M35-L147 HydrophobicContact SD-CD1 3.91Å; M35-L147 HydrophobicContact SD-CG 4.1Å |
| 36 | V | 97.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 76.9 Ų | 76.9 | 47% | 0.473 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I32 I33 L34 L38 M39 F40 | I32-V36 HydrophobicContact CG2-CG2 4.31Å; I32-V36 WeakPolarHBondContact O-CB 3.26Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 3.47Å; I33-V36 PolarHBondContact O-N 2.92Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-V36 PolarHBondContact O-N 3.25Å; V36-L38 PolarHBondContact O-N 3.47Å; V36-M39 WeakPolarHBondContact O-CB 3.34Å; V36-M39 PolarHBondContact O-N 3.26Å; V36-F40 HydrophobicContact CG1-CD2 4.37Å; V36-F40 HydrophobicContact CG1-CE2 3.82Å; V36-F40 WeakPolarHBondContact O-CD2 3.5Å |
| 37 | Y | 98 | Very high | 97.5 | Very high | 152 Ų | 152 | 72 Ų | 72 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.6 | -47.3 | 178.5 | 173.4 | -101.1 | 0 | 0 | 0 | 111.7 | I33 L34 M39 F40 T41 | I33-Y37 WeakPolarHBondContact O-CB 2.77Å; I33-Y37 PolarHBondContact O-N 3.48Å; L34-Y37 PolarHBondContact O-N 3.31Å; Y37-M39 PolarHBondContact O-N 3.25Å; Y37-F40 PolarHBondContact O-N 2.83Å; Y37-T41 HydrophobicContact CD1-CG2 4.25Å; Y37-T41 HydrophobicContact CE1-CG2 3.78Å; Y37-T41 HydrophobicContact CE2-CG2 4.39Å |
| 38 | L | 98.1 | Very high | 97.6 | Very high | 27 Ų | 27 | 71.2 Ų | 71.2 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -32.6 | 179.9 | -71.3 | 174.6 | 0 | 0 | 0 | 112.6 | L34 V36 F40 T41 L43 W44 P47 | L34-L38 HydrophobicContact CD1-CD1 3.97Å; L34-L38 HydrophobicContact CD1-CD2 4.49Å; L34-L38 HydrophobicContact CD1-CG 4.02Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 HydrophobicContact CG-CG 4.42Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.2Å; L34-L38 PolarHBondContact O-N 2.76Å; V36-L38 PolarHBondContact O-N 3.47Å; L38-F40 PolarHBondContact O-N 3.04Å; L38-T41 PolarHBondContact O-N 2.78Å; L38-T41 VanDerWaalsContact O-N 3.09Å; L38-T41 PolarHBondContact O-OG1 2.73Å; L38-L43 HydrophobicContact CD2-CB 3.97Å; L38-L43 HydrophobicContact CD2-CD1 3.86Å; L38-W44 VanDerWaalsContact O-CA 3.3Å; L38-W44 WeakPolarHBondContact O-CA 3.43Å; L38-W44 PolarHBondContact O-N 2.59Å; L38-W44 VanDerWaalsContact O-N 3.16Å; L38-P47 HydrophobicContact CB-CG 3.86Å |
| 39 | M | 97.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 36% | 0.36 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.7 | -23.2 | 174.2 | -71.5 | -65.3 | -49 | 0 | 0 | 113.3 | M35 V36 Y37 W44 P47 | M35-M39 WeakPolarHBondContact O-CG 3.21Å; M35-M39 PolarHBondContact O-N 2.93Å; V36-M39 WeakPolarHBondContact O-CB 3.34Å; V36-M39 PolarHBondContact O-N 3.26Å; Y37-M39 PolarHBondContact O-N 3.25Å; M39-W44 WeakPolarHBondContact O-CB 3.4Å; M39-P47 HydrophobicContact CG-CB 4.15Å; M39-P47 HydrophobicContact CG-CG 3.86Å; M39-P47 HydrophobicContact SD-CB 3.82Å; M39-P47 HydrophobicContact SD-CG 3.48Å; M39-P47 WeakPolarHBondContact SD-CG 3.39Å |
| 40 | F | 97.8 | Very high | 97.9 | Very high | 173 Ų | 173 | 73.1 Ų | 73.1 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 14 | 177.7 | -62 | -76.4 | 0 | 0 | 0 | 113.4 | V36 Y37 L38 | V36-F40 HydrophobicContact CG1-CD2 4.37Å; V36-F40 HydrophobicContact CG1-CE2 3.82Å; V36-F40 WeakPolarHBondContact O-CD2 3.5Å; Y37-F40 PolarHBondContact O-N 2.83Å; L38-F40 PolarHBondContact O-N 3.04Å |
| 41 | T | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 74.3 Ų | 74.3 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -121 | 173.9 | 177.6 | 69.8 | 0 | 0 | 0 | 0 | 111.2 | Y37 L38 L43 W44 | Y37-T41 HydrophobicContact CD1-CG2 4.25Å; Y37-T41 HydrophobicContact CE1-CG2 3.78Å; Y37-T41 HydrophobicContact CE2-CG2 4.39Å; L38-T41 PolarHBondContact O-N 2.78Å; L38-T41 VanDerWaalsContact O-N 3.09Å; L38-T41 PolarHBondContact O-OG1 2.73Å; T41-L43 PolarHBondContact O-N 2.95Å; T41-L43 WeakPolarHBondContact OG1-CB 3.47Å; T41-L43 PolarHBondContact OG1-N 3.35Å; T41-W44 WeakPolarHBondContact O-CB 3.44Å; T41-W44 PolarHBondContact O-N 3.24Å; T41-W44 VanDerWaalsContact O-N 3.13Å |
| 42 | S | 98.2 | Very high | 97.8 | Very high | 111 Ų | 111 | 78.5 Ų | 78.5 | 78% | 0.776 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.5 | 170.5 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | W44 | S42-W44 VanDerWaalsContact C-N 3.35Š|
| 43 | L | 98.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 80 Ų | 80 | 47% | 0.466 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.9 | 177.3 | -59.4 | 177.4 | 0 | 0 | 0 | 113.9 | L38 T41 P45 L46 P47 | L38-L43 HydrophobicContact CD2-CB 3.97Å; L38-L43 HydrophobicContact CD2-CD1 3.86Å; T41-L43 PolarHBondContact O-N 2.95Å; T41-L43 WeakPolarHBondContact OG1-CB 3.47Å; T41-L43 PolarHBondContact OG1-N 3.35Å; L43-P45 WeakPolarHBondContact O-CD 3.21Å; L43-P45 VanDerWaalsContact O-N 3.08Å; L43-L46 HydrophobicContact CB-CD1 4.28Å; L43-L46 HydrophobicContact CD2-CD1 4.42Å; L43-L46 WeakPolarHBondContact O-CB 3.24Å; L43-L46 PolarHBondContact O-N 3.27Å; L43-P47 VanDerWaalsContact O-CD 3.26Å; L43-P47 WeakPolarHBondContact O-CD 3.33Å |
| 44 | W | 98.3 | Very high | 97.8 | Very high | 129 Ų | 129 | 75.8 Ų | 75.8 | 49% | 0.489 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26.7 | 178.3 | 76.7 | -95.9 | 0 | 0 | 0 | 116.1 | L38 M39 T41 S42 L46 P47 T48 | L38-W44 VanDerWaalsContact O-CA 3.3Å; L38-W44 WeakPolarHBondContact O-CA 3.43Å; L38-W44 PolarHBondContact O-N 2.59Å; L38-W44 VanDerWaalsContact O-N 3.16Å; M39-W44 WeakPolarHBondContact O-CB 3.4Å; T41-W44 WeakPolarHBondContact O-CB 3.44Å; T41-W44 PolarHBondContact O-N 3.24Å; T41-W44 VanDerWaalsContact O-N 3.13Å; S42-W44 VanDerWaalsContact C-N 3.35Å; W44-L46 PolarHBondContact O-N 3.3Å; W44-P47 VanDerWaalsContact O-CD 3.27Å; W44-P47 WeakPolarHBondContact O-CD 3.16Å; W44-P47 VanDerWaalsContact O-CG 3.31Å; W44-P47 WeakPolarHBondContact O-CG 3.3Å; W44-T48 HydrophobicContact CZ3-CG2 4.22Å; W44-T48 PolarHBondContact O-N 2.95Å; W44-T48 PolarHBondContact O-OG1 2.78Å; W44-T48 VanDerWaalsContact O-OG1 3.11Å |
| 45 | P | 98.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 76.9 Ų | 76.9 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.1 | -30.1 | 175.4 | -25.6 | 37.5 | 0 | 0 | 0 | 112.7 | L43 T48 L49 | L43-P45 WeakPolarHBondContact O-CD 3.21Å; L43-P45 VanDerWaalsContact O-N 3.08Å; P45-T48 PolarHBondContact O-N 2.83Å; P45-L49 WeakPolarHBondContact O-CB 3.04Å; P45-L49 VanDerWaalsContact O-CG 3.24Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 3.43Å |
| 46 | L | 97.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 83 Ų | 83 | 55% | 0.55 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -58.3 | 179.6 | -61.9 | 178.4 | 0 | 0 | 0 | 112.8 | L43 W44 T48 L49 Y50 | L43-L46 HydrophobicContact CB-CD1 4.28Å; L43-L46 HydrophobicContact CD2-CD1 4.42Å; L43-L46 WeakPolarHBondContact O-CB 3.24Å; L43-L46 PolarHBondContact O-N 3.27Å; W44-L46 PolarHBondContact O-N 3.3Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 3.25Å; L46-Y50 WeakPolarHBondContact O-CB 3.34Å; L46-Y50 PolarHBondContact O-N 3.27Å |
| 47 | P | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.006 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62 | -34.6 | 176.1 | 22.1 | -32.7 | 0 | 0 | 0 | 112.5 | M35 L38 M39 L43 W44 Y50 F51 | M35-P47 HydrophobicContact CE-CB 3.48Å; M35-P47 VanDerWaalsContact CE-CB 3.48Å; M35-P47 HydrophobicContact SD-CB 4.03Å; L38-P47 HydrophobicContact CB-CG 3.86Å; M39-P47 HydrophobicContact CG-CB 4.15Å; M39-P47 HydrophobicContact CG-CG 3.86Å; M39-P47 HydrophobicContact SD-CB 3.82Å; M39-P47 HydrophobicContact SD-CG 3.48Å; M39-P47 WeakPolarHBondContact SD-CG 3.39Å; L43-P47 VanDerWaalsContact O-CD 3.26Å; L43-P47 WeakPolarHBondContact O-CD 3.33Å; W44-P47 VanDerWaalsContact O-CD 3.27Å; W44-P47 WeakPolarHBondContact O-CD 3.16Å; W44-P47 VanDerWaalsContact O-CG 3.31Å; W44-P47 WeakPolarHBondContact O-CG 3.3Å; P47-Y50 PolarHBondContact O-N 2.72Å; P47-F51 HydrophobicContact CB-CD2 4.38Å; P47-F51 HydrophobicContact CB-CE2 4.13Å; P47-F51 WeakPolarHBondContact O-CD2 3.23Å; P47-F51 WeakPolarHBondContact O-CG 3.48Å; P47-F51 PolarHBondContact O-N 3.33Å |
| 48 | T | 97.8 | Very high | 97.6 | Very high | 39 Ų | 39 | 78.7 Ų | 78.7 | 24% | 0.239 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 178 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | W44 P45 L46 Y50 F51 I52 | W44-T48 HydrophobicContact CZ3-CG2 4.22Å; W44-T48 PolarHBondContact O-N 2.95Å; W44-T48 PolarHBondContact O-OG1 2.78Å; W44-T48 VanDerWaalsContact O-OG1 3.11Å; P45-T48 PolarHBondContact O-N 2.83Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.36Å; T48-Y50 VanDerWaalsContact C-N 3.29Å; T48-Y50 PolarHBondContact O-N 2.88Å; T48-F51 PolarHBondContact O-N 3.2Å; T48-I52 HydrophobicContact CG2-CD1 4.03Å; T48-I52 WeakPolarHBondContact O-CG1 3.44Å; T48-I52 PolarHBondContact O-N 2.83Å |
| 49 | L | 98.1 | Very high | 97.5 | Very high | 113 Ų | 113 | 82 Ų | 82 | 59% | 0.592 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 175.9 | -71.1 | 172.9 | 0 | 0 | 0 | 111.5 | P45 L46 I52 W53 | P45-L49 WeakPolarHBondContact O-CB 3.04Å; P45-L49 VanDerWaalsContact O-CG 3.24Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 3.43Å; L46-L49 PolarHBondContact O-N 3.25Å; L49-I52 PolarHBondContact O-N 2.99Å; L49-W53 PolarHBondContact O-N 3.11Å |
| 50 | Y | 98.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 80 Ų | 80 | 14% | 0.137 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.2 | 176.4 | -84.9 | 0 | 0 | 0 | 111.9 | M35 L46 P47 T48 W53 M54 P146 L147 E150 | M35-Y50 HydrophobicContact CE-CD1 3.4Å; M35-Y50 VanDerWaalsContact CE-CD1 3.4Å; M35-Y50 HydrophobicContact CE-CE1 4.12Å; M35-Y50 HydrophobicContact CE-CG 3.96Å; L46-Y50 WeakPolarHBondContact O-CB 3.34Å; L46-Y50 PolarHBondContact O-N 3.27Å; P47-Y50 PolarHBondContact O-N 2.72Å; T48-Y50 VanDerWaalsContact C-N 3.29Å; T48-Y50 PolarHBondContact O-N 2.88Å; Y50-W53 HydrophobicContact CD2-CE3 4.11Å; Y50-W53 HydrophobicContact CD2-CZ3 4.27Å; Y50-W53 AromaticContact CE2-CE3 3.93Å; Y50-W53 HydrophobicContact CE2-CE3 3.93Å; Y50-W53 AromaticContact CE2-CZ3 3.64Å; Y50-W53 HydrophobicContact CE2-CZ3 3.64Å; Y50-W53 PolarHBondContact O-N 3.3Å; Y50-M54 HydrophobicContact CE1-CB 4.14Å; Y50-M54 HydrophobicContact CE1-CG 4.37Å; Y50-M54 HydrophobicContact CE1-SD 3.68Å; Y50-M54 WeakPolarHBondContact O-CB 3.36Å; Y50-M54 PolarHBondContact O-N 2.84Å; Y50-P146 HydrophobicContact CD1-CB 4.16Å; Y50-P146 HydrophobicContact CE1-CB 3.37Å; Y50-P146 WeakPolarHBondContact OH-CA 3.41Å; Y50-L147 HydrophobicContact CD2-CD2 4.21Å; Y50-L147 HydrophobicContact CE2-CD2 3.91Å; Y50-L147 PolarHBondContact OH-N 3.02Å; Y50-E150 PolarHBondContact OH-OE1 3.31Å; Y50-E150 PolarHBondContact OH-OE2 3.38Å |
| 51 | F | 97.7 | Very high | 97.4 | Very high | 77 Ų | 77 | 72 Ų | 72 | 34% | 0.338 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 179 | -74.9 | -56.8 | 0 | 0 | 0 | 112.4 | M35 P47 T48 W53 M54 V55 P146 | M35-F51 HydrophobicContact CB-CZ 4.29Å; M35-F51 HydrophobicContact CE-CD2 4.19Å; M35-F51 HydrophobicContact CE-CE1 4.16Å; M35-F51 HydrophobicContact CE-CE2 3.67Å; M35-F51 HydrophobicContact CE-CZ 3.65Å; P47-F51 HydrophobicContact CB-CD2 4.38Å; P47-F51 HydrophobicContact CB-CE2 4.13Å; P47-F51 WeakPolarHBondContact O-CD2 3.23Å; P47-F51 WeakPolarHBondContact O-CG 3.48Å; P47-F51 PolarHBondContact O-N 3.33Å; T48-F51 PolarHBondContact O-N 3.2Å; F51-W53 VanDerWaalsContact C-N 3.32Å; F51-W53 PolarHBondContact O-N 3.02Å; F51-M54 HydrophobicContact CD1-SD 4.49Å; F51-M54 PolarHBondContact O-N 2.97Å; F51-M54 VanDerWaalsContact O-N 3.16Å; F51-V55 WeakPolarHBondContact O-CG2 3.27Å; F51-V55 PolarHBondContact O-N 3.47Å; F51-P146 HydrophobicContact CE1-CB 4.06Å; F51-P146 HydrophobicContact CE1-CG 4.15Å; F51-P146 HydrophobicContact CZ-CG 4.34Å |
| 52 | I | 97.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 73.1 Ų | 73.1 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 173.1 | -68.6 | 166.3 | 0 | 0 | 0 | 110.1 | T48 L49 M54 V55 N56 | T48-I52 HydrophobicContact CG2-CD1 4.03Å; T48-I52 WeakPolarHBondContact O-CG1 3.44Å; T48-I52 PolarHBondContact O-N 2.83Å; L49-I52 PolarHBondContact O-N 2.99Å; I52-M54 VanDerWaalsContact C-N 3.35Å; I52-M54 PolarHBondContact O-N 2.87Å; I52-V55 PolarHBondContact O-N 3.37Å; I52-N56 PolarHBondContact O-N 2.9Å |
| 53 | W | 97.7 | Very high | 97.1 | Very high | 100 Ų | 100 | 75.3 Ų | 75.3 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.2 | 170.7 | 81.2 | 0 | 0 | 0 | 112.1 | L49 Y50 F51 V55 N56 D57 E150 | L49-W53 PolarHBondContact O-N 3.11Å; Y50-W53 HydrophobicContact CD2-CE3 4.11Å; Y50-W53 HydrophobicContact CD2-CZ3 4.27Å; Y50-W53 AromaticContact CE2-CE3 3.93Å; Y50-W53 HydrophobicContact CE2-CE3 3.93Å; Y50-W53 AromaticContact CE2-CZ3 3.64Å; Y50-W53 HydrophobicContact CE2-CZ3 3.64Å; Y50-W53 PolarHBondContact O-N 3.3Å; F51-W53 VanDerWaalsContact C-N 3.32Å; F51-W53 PolarHBondContact O-N 3.02Å; W53-V55 VanDerWaalsContact C-N 3.31Å; W53-V55 PolarHBondContact O-N 2.94Å; W53-N56 WeakPolarHBondContact O-CB 3.33Å; W53-N56 PolarHBondContact O-N 2.85Å; W53-N56 VanDerWaalsContact O-N 3.14Å; W53-D57 HydrophobicContact CD2-CB 4.26Å; W53-D57 HydrophobicContact CH2-CB 4.33Å; W53-D57 HydrophobicContact CZ2-CB 4.04Å; W53-D57 VanDerWaalsContact O-CB 3.28Å; W53-D57 WeakPolarHBondContact O-CB 3.27Å; W53-D57 PolarHBondContact O-N 3.28Å; W53-E150 HydrophobicContact CH2-CG 4.41Å; W53-E150 VanDerWaalsContact CZ3-OE1 3.29Å; W53-E150 WeakPolarHBondContact CZ3-OE1 3.42Å |
| 54 | M | 96.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.069 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -33.8 | -178.5 | -170.3 | 176.8 | 112.9 | 0 | 0 | 112.6 | Y50 F51 I52 D57 W58 P146 | Y50-M54 HydrophobicContact CE1-CB 4.14Å; Y50-M54 HydrophobicContact CE1-CG 4.37Å; Y50-M54 HydrophobicContact CE1-SD 3.68Å; Y50-M54 WeakPolarHBondContact O-CB 3.36Å; Y50-M54 PolarHBondContact O-N 2.84Å; F51-M54 HydrophobicContact CD1-SD 4.49Å; F51-M54 PolarHBondContact O-N 2.97Å; F51-M54 VanDerWaalsContact O-N 3.16Å; I52-M54 VanDerWaalsContact C-N 3.35Å; I52-M54 PolarHBondContact O-N 2.87Å; M54-D57 CarbonylContact O-C 3.58Å; M54-D57 PolarHBondContact O-N 3.39Å; M54-W58 HydrophobicContact CE-CE3 4.1Å; M54-W58 HydrophobicContact CE-CZ3 3.54Å; M54-W58 VanDerWaalsContact O-CA 3.32Å; M54-W58 WeakPolarHBondContact O-CA 3.35Å; M54-W58 PolarHBondContact O-N 2.91Å; M54-P146 HydrophobicContact SD-CB 4.26Å |
| 55 | V | 96.6 | Very high | 96.2 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 173.3 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | F51 I52 W53 D57 W58 | F51-V55 WeakPolarHBondContact O-CG2 3.27Å; F51-V55 PolarHBondContact O-N 3.47Å; I52-V55 PolarHBondContact O-N 3.37Å; W53-V55 VanDerWaalsContact C-N 3.31Å; W53-V55 PolarHBondContact O-N 2.94Å; V55-D57 VanDerWaalsContact C-N 3.25Å; V55-D57 PolarHBondContact O-N 3.5Å; V55-W58 WeakPolarHBondContact O-CB 3.38Å; V55-W58 PolarHBondContact O-N 2.9Å |
| 56 | N | 96 | Very high | 96 | Very high | 138 Ų | 138 | 69.8 Ų | 69.8 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.4 | -32 | 175.8 | -66.2 | -20.5 | 0 | 0 | 0 | 111.8 | I52 W53 | I52-N56 PolarHBondContact O-N 2.9Å; W53-N56 WeakPolarHBondContact O-CB 3.33Å; W53-N56 PolarHBondContact O-N 2.85Å; W53-N56 VanDerWaalsContact O-N 3.14Å |
| 57 | D | 96.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.5 | -178.5 | -167 | 58.6 | 0 | 0 | 0 | 114.5 | W53 M54 V55 Q59 T60 R66 R149 | W53-D57 HydrophobicContact CD2-CB 4.26Å; W53-D57 HydrophobicContact CH2-CB 4.33Å; W53-D57 HydrophobicContact CZ2-CB 4.04Å; W53-D57 VanDerWaalsContact O-CB 3.28Å; W53-D57 WeakPolarHBondContact O-CB 3.27Å; W53-D57 PolarHBondContact O-N 3.28Å; M54-D57 CarbonylContact O-C 3.58Å; M54-D57 PolarHBondContact O-N 3.39Å; V55-D57 VanDerWaalsContact C-N 3.25Å; V55-D57 PolarHBondContact O-N 3.5Å; D57-Q59 VanDerWaalsContact C-N 3.26Å; D57-Q59 PolarHBondContact O-N 2.97Å; D57-Q59 VanDerWaalsContact O-N 3.08Å; D57-T60 WeakPolarHBondContact O-CB 3.31Å; D57-T60 PolarHBondContact O-N 3.24Å; D57-T60 PolarHBondContact O-OG1 3.01Å; D57-T60 VanDerWaalsContact OD1-CB 3.23Å; D57-T60 WeakPolarHBondContact OD1-CB 3.33Å; D57-T60 PolarHBondContact OD1-OG1 3.36Å; D57-R66 VanDerWaalsContact CG-NH2 3.29Å; D57-R66 IonicContact OD1-CZ 2.59Å; D57-R66 IonicContact OD1-NH1 2.98Å; D57-R66 PolarHBondContact OD1-NH1 3.34Å; D57-R66 IonicContact OD1-NH2 3.65Å; D57-R66 PolarHBondContact OD1-NH2 3.1Å; D57-R66 IonicContact OD2-CZ 3.27Å; D57-R66 IonicContact OD2-NH1 2.87Å; D57-R66 PolarHBondContact OD2-NH1 2.94Å; D57-R66 IonicContact OD2-NH2 3.23Å; D57-R66 PolarHBondContact OD2-NH2 2.93Å; D57-R149 PolarHBondContact O-NH2 2.71Å; D57-R149 IonicContact OD2-CZ 3.1Å; D57-R149 VanDerWaalsContact OD2-CZ 3.29Å; D57-R149 IonicContact OD2-NH1 3.29Å; D57-R149 PolarHBondContact OD2-NH1 3.18Å; D57-R149 IonicContact OD2-NH2 3.74Å; D57-R149 PolarHBondContact OD2-NH2 3.24Å |
| 58 | W | 95.8 | Very high | 95.8 | Very high | 129 Ų | 129 | 70.2 Ų | 70.2 | 49% | 0.489 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -40.4 | -164 | -174.8 | -98.9 | 0 | 0 | 0 | 113.5 | M54 V55 P61 K144 | M54-W58 HydrophobicContact CE-CE3 4.1Å; M54-W58 HydrophobicContact CE-CZ3 3.54Å; M54-W58 VanDerWaalsContact O-CA 3.32Å; M54-W58 WeakPolarHBondContact O-CA 3.35Å; M54-W58 PolarHBondContact O-N 2.91Å; V55-W58 WeakPolarHBondContact O-CB 3.38Å; V55-W58 PolarHBondContact O-N 2.9Å; W58-P61 WeakPolarHBondContact O-CD 3.29Å; W58-K144 HydrophobicContact CH2-CB 4.37Å; W58-K144 HydrophobicContact CH2-CD 4.33Å; W58-K144 HydrophobicContact CH2-CG 4.16Å; W58-K144 HydrophobicContact CZ2-CD 4.21Å; W58-K144 HydrophobicContact CZ2-CG 4.19Å |
| 59 | Q | 96.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 71.1 Ų | 71.1 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -6 | -174.1 | -65.2 | 177.4 | -9 | 0 | 0 | 114.2 | D57 P61 E62 R63 | D57-Q59 VanDerWaalsContact C-N 3.26Å; D57-Q59 PolarHBondContact O-N 2.97Å; D57-Q59 VanDerWaalsContact O-N 3.08Å; Q59-P61 VanDerWaalsContact C-CD 3.42Å; Q59-E62 PolarHBondContact O-N 3.47Å; Q59-E62 VanDerWaalsContact O-N 3.1Å; Q59-R63 WeakPolarHBondContact O-CG 3.45Å; Q59-R63 PolarHBondContact O-N 3.31Å |
| 60 | T | 96.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 19% | 0.19 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -56.3 | -40.1 | -176.5 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | D57 E62 R63 G65 R66 M153 | D57-T60 WeakPolarHBondContact O-CB 3.31Å; D57-T60 PolarHBondContact O-N 3.24Å; D57-T60 PolarHBondContact O-OG1 3.01Å; D57-T60 VanDerWaalsContact OD1-CB 3.23Å; D57-T60 WeakPolarHBondContact OD1-CB 3.33Å; D57-T60 PolarHBondContact OD1-OG1 3.36Å; T60-E62 PolarHBondContact O-N 3.27Å; T60-R63 CarbonylContact O-C 3.54Å; T60-R63 PolarHBondContact O-N 3.39Å; T60-G65 WeakPolarHBondContact O-CA 3.32Å; T60-G65 PolarHBondContact O-N 3.09Å; T60-R66 HydrophobicContact CG2-CG 4.3Å; T60-M153 HydrophobicContact CG2-SD 4.15Å |
| 61 | P | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -57.8 | -35.6 | 176.7 | -26.2 | 36.1 | 0 | 0 | 0 | 113.2 | W58 Q59 R63 F143 R149 M153 P159 | W58-P61 WeakPolarHBondContact O-CD 3.29Å; Q59-P61 VanDerWaalsContact C-CD 3.42Å; P61-R63 VanDerWaalsContact C-N 3.31Å; P61-F143 HydrophobicContact CB-CB 3.89Å; P61-F143 HydrophobicContact CB-CD1 3.65Å; P61-F143 HydrophobicContact CB-CE1 4.44Å; P61-F143 HydrophobicContact CB-CG 3.96Å; P61-F143 HydrophobicContact CG-CB 4.03Å; P61-F143 HydrophobicContact CG-CD1 4.17Å; P61-F143 HydrophobicContact CG-CG 4.5Å; P61-R149 VanDerWaalsContact CD-NH2 3.27Å; P61-M153 HydrophobicContact CB-SD 4.13Å; P61-M153 HydrophobicContact CG-CE 4.29Å; P61-M153 HydrophobicContact CG-SD 3.78Å; P61-P159 HydrophobicContact CB-CG 3.63Å; P61-P159 WeakPolarHBondContact O-CD 3.49Å |
| 62 | E | 96.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 68.9 Ų | 68.9 | 29% | 0.285 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -86.3 | -3.4 | -180 | -57.1 | -170.6 | 132.1 | 0 | 0 | 113.2 | Q59 T60 P159 S161 P163 S164 H167 | Q59-E62 PolarHBondContact O-N 3.47Å; Q59-E62 VanDerWaalsContact O-N 3.1Å; T60-E62 PolarHBondContact O-N 3.27Å; E62-P159 HydrophobicContact CG-CB 4.36Å; E62-P159 HydrophobicContact CG-CG 3.95Å; E62-S161 WeakPolarHBondContact OE1-CB 3.18Å; E62-S161 PolarHBondContact OE1-OG 2.67Å; E62-P163 HydrophobicContact CB-CB 4.23Å; E62-S164 WeakPolarHBondContact CA-OG 3.36Å; E62-S164 WeakPolarHBondContact CG-OG 3.29Å; E62-H167 WeakPolarHBondContact O-CB 3.4Å |
| 63 | R | 94.6 | Very high | 95.4 | Very high | 157 Ų | 157 | 70.9 Ų | 70.9 | 59% | 0.592 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -117 | 35.7 | -177.4 | -65.8 | 177.2 | 173 | -167.4 | -5.3 | 112.4 | Q59 T60 P61 H167 | Q59-R63 WeakPolarHBondContact O-CG 3.45Å; Q59-R63 PolarHBondContact O-N 3.31Å; T60-R63 CarbonylContact O-C 3.54Å; T60-R63 PolarHBondContact O-N 3.39Å; P61-R63 VanDerWaalsContact C-N 3.31Å; R63-H167 VanDerWaalsContact C-NE2 3.29Å; R63-H167 PolarHBondContact O-NE2 3.28Å |
| 64 | G | 85.2 | Confident | 95.3 | Very high | 35 Ų | 35 | 69.9 Ų | 69.9 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 65 | G | 92.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 77.4 Ų | 77.4 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -153.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | T60 | T60-G65 WeakPolarHBondContact O-CA 3.32Å; T60-G65 PolarHBondContact O-N 3.09Å |
| 66 | R | 93.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 73.9 Ų | 73.9 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 55.5 | -178 | -66.4 | -172.9 | 175.9 | 83.3 | 5.7 | 112 | D57 T60 T68 M153 S154 | D57-R66 VanDerWaalsContact CG-NH2 3.29Å; D57-R66 IonicContact OD1-CZ 2.59Å; D57-R66 IonicContact OD1-NH1 2.98Å; D57-R66 PolarHBondContact OD1-NH1 3.34Å; D57-R66 IonicContact OD1-NH2 3.65Å; D57-R66 PolarHBondContact OD1-NH2 3.1Å; D57-R66 IonicContact OD2-CZ 3.27Å; D57-R66 IonicContact OD2-NH1 2.87Å; D57-R66 PolarHBondContact OD2-NH1 2.94Å; D57-R66 IonicContact OD2-NH2 3.23Å; D57-R66 PolarHBondContact OD2-NH2 2.93Å; T60-R66 HydrophobicContact CG2-CG 4.3Å; R66-T68 WeakPolarHBondContact O-CG2 3.48Å; R66-T68 PolarHBondContact O-N 3.04Å; R66-M153 CarbonylContact C-O 3.58Å; R66-M153 VanDerWaalsContact C-O 3.25Å; R66-M153 HydrophobicContact CB-CB 4.2Å; R66-M153 CarbonylContact O-C 3.38Å; R66-S154 WeakPolarHBondContact O-CA 3.36Å |
| 67 | R | 94.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | trans | -56 | 130.6 | 179.2 | -177.4 | -172.9 | -169.8 | 115.9 | -16 | 110.9 | R72 K133 S134 M153 | R67-R72 VanDerWaalsContact CZ-CZ 3.44Å; R67-R72 VanDerWaalsContact NE-NH1 3.19Å; R67-K133 VanDerWaalsContact CD-CE 3.46Å; R67-S134 PolarHBondContact NH1-O 3.24Å; R67-S134 PolarHBondContact NH2-O 2.94Å; R67-M153 VanDerWaalsContact CA-O 3.27Å; R67-M153 WeakPolarHBondContact CA-O 3.42Å; R67-M153 PolarHBondContact N-O 3.29Å | ||
| 68 | T | 95.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | trans | -119.1 | 138.3 | 174.6 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | R66 F70 V71 R72 S154 | R66-T68 WeakPolarHBondContact O-CG2 3.48Å; R66-T68 PolarHBondContact O-N 3.04Å; T68-F70 VanDerWaalsContact C-N 3.28Å; T68-V71 WeakPolarHBondContact OG1-CB 3.39Å; T68-V71 VanDerWaalsContact OG1-CG2 3.31Å; T68-V71 WeakPolarHBondContact OG1-CG2 3.33Å; T68-V71 PolarHBondContact OG1-N 3.22Å; T68-R72 WeakPolarHBondContact O-CG 3.31Å; T68-S154 PolarHBondContact N-O 2.91Å; T68-S154 PolarHBondContact OG1-O 3.41Å | ||
| 69 | A | 95.2 | Very high | 95.5 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.9 | -31.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R72 K73 | A69-R72 PolarHBondContact O-N 2.88Å; A69-K73 VanDerWaalsContact O-CB 3.29Å; A69-K73 WeakPolarHBondContact O-CB 3.44Å; A69-K73 VanDerWaalsContact O-CG 3.27Å; A69-K73 WeakPolarHBondContact O-CG 3.39Å; A69-K73 PolarHBondContact O-N 3.39Å |
| 70 | F | 96.4 | Very high | 95.6 | Very high | 158 Ų | 158 | 62.4 Ų | 62.4 | 69% | 0.693 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.6 | -55.2 | -179.4 | 178.1 | -108.7 | 0 | 0 | 0 | 112 | T68 R72 K73 W74 | T68-F70 VanDerWaalsContact C-N 3.28Å; F70-R72 VanDerWaalsContact C-N 3.35Å; F70-R72 PolarHBondContact O-N 3.03Å; F70-K73 PolarHBondContact O-N 3.43Å; F70-W74 AromaticContact CD1-NE1 3.45Å; F70-W74 HydrophobicContact CE1-CZ2 4.43Å; F70-W74 AromaticContact CE1-NE1 3.17Å; F70-W74 AromaticContact CZ-NE1 3.66Å; F70-W74 PolarHBondContact O-N 3.12Å |
| 71 | V | 96.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 179.9 | 176 | 0 | 0 | 0 | 0 | 110.8 | T68 K73 W74 W77 A155 | T68-V71 WeakPolarHBondContact OG1-CB 3.39Å; T68-V71 VanDerWaalsContact OG1-CG2 3.31Å; T68-V71 WeakPolarHBondContact OG1-CG2 3.33Å; T68-V71 PolarHBondContact OG1-N 3.22Å; V71-K73 PolarHBondContact O-N 2.89Å; V71-W74 HydrophobicContact CB-CZ2 4.32Å; V71-W74 HydrophobicContact CG1-CD2 4.26Å; V71-W74 HydrophobicContact CG1-CE3 4.19Å; V71-W74 HydrophobicContact CG1-CH2 4.14Å; V71-W74 HydrophobicContact CG1-CZ2 4.2Å; V71-W74 HydrophobicContact CG1-CZ3 4.14Å; V71-W74 HydrophobicContact CG2-CH2 4.29Å; V71-W74 HydrophobicContact CG2-CZ2 3.72Å; V71-W74 PolarHBondContact O-N 2.85Å; V71-W77 PolarHBondContact O-NE1 2.81Å; V71-A155 HydrophobicContact CG1-CB 4.29Å |
| 72 | R | 96.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.4 | -19.5 | -179.6 | -64.7 | -175.7 | 57.7 | -113.2 | -10.4 | 114.4 | R67 T68 A69 F70 S119 T120 E121 A155 | R67-R72 VanDerWaalsContact CZ-CZ 3.44Å; R67-R72 VanDerWaalsContact NE-NH1 3.19Å; T68-R72 WeakPolarHBondContact O-CG 3.31Å; A69-R72 PolarHBondContact O-N 2.88Å; F70-R72 VanDerWaalsContact C-N 3.35Å; F70-R72 PolarHBondContact O-N 3.03Å; R72-S119 WeakPolarHBondContact CD-O 3.5Å; R72-S119 VanDerWaalsContact CG-O 3.26Å; R72-S119 WeakPolarHBondContact CG-O 3.38Å; R72-S119 PolarHBondContact NE-O 3.41Å; R72-T120 PolarHBondContact NH2-O 3.34Å; R72-E121 HydrophobicContact CB-CG 4.19Å; R72-E121 VanDerWaalsContact CZ-CD 3.45Å; R72-E121 IonicContact CZ-OE1 3.96Å; R72-E121 VanDerWaalsContact CZ-OE1 3.23Å; R72-E121 IonicContact CZ-OE2 3.29Å; R72-E121 VanDerWaalsContact NH1-CD 3.27Å; R72-E121 IonicContact NH1-OE1 3.25Å; R72-E121 PolarHBondContact NH1-OE1 3.16Å; R72-E121 IonicContact NH1-OE2 3.8Å; R72-E121 IonicContact NH2-OE1 2.87Å; R72-E121 PolarHBondContact NH2-OE1 3.39Å; R72-E121 IonicContact NH2-OE2 2.86Å; R72-E121 PolarHBondContact NH2-OE2 3.27Å; R72-E121 PolarHBondContact O-N 3.24Å; R72-A155 WeakPolarHBondContact CD-O 3.36Å; R72-A155 WeakPolarHBondContact CG-O 3.42Å |
| 73 | K | 96.8 | Very high | 95.6 | Very high | 140 Ų | 140 | 65.5 Ų | 65.5 | 61% | 0.609 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 9.1 | 177.6 | -69.7 | -178.4 | 177.6 | -173.2 | 0 | 113.8 | A69 F70 V71 K75 E121 | A69-K73 VanDerWaalsContact O-CB 3.29Å; A69-K73 WeakPolarHBondContact O-CB 3.44Å; A69-K73 VanDerWaalsContact O-CG 3.27Å; A69-K73 WeakPolarHBondContact O-CG 3.39Å; A69-K73 PolarHBondContact O-N 3.39Å; F70-K73 PolarHBondContact O-N 3.43Å; V71-K73 PolarHBondContact O-N 2.89Å; K73-K75 PolarHBondContact O-N 3.05Å; K73-E121 HydrophobicContact CG-CB 4.05Å; K73-E121 HydrophobicContact CG-CG 3.63Å |
| 74 | W | 97.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 58 Ų | 58 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | -55.8 | 138.2 | 176.7 | -73.9 | -11.7 | 0 | 0 | 0 | 111.9 | F70 V71 V76 W77 Y151 | F70-W74 AromaticContact CD1-NE1 3.45Å; F70-W74 HydrophobicContact CE1-CZ2 4.43Å; F70-W74 AromaticContact CE1-NE1 3.17Å; F70-W74 AromaticContact CZ-NE1 3.66Å; F70-W74 PolarHBondContact O-N 3.12Å; V71-W74 HydrophobicContact CB-CZ2 4.32Å; V71-W74 HydrophobicContact CG1-CD2 4.26Å; V71-W74 HydrophobicContact CG1-CE3 4.19Å; V71-W74 HydrophobicContact CG1-CH2 4.14Å; V71-W74 HydrophobicContact CG1-CZ2 4.2Å; V71-W74 HydrophobicContact CG1-CZ3 4.14Å; V71-W74 HydrophobicContact CG2-CH2 4.29Å; V71-W74 HydrophobicContact CG2-CZ2 3.72Å; V71-W74 PolarHBondContact O-N 2.85Å; W74-V76 HydrophobicContact CB-CG1 3.78Å; W74-V76 HydrophobicContact CE3-CG1 4.13Å; W74-V76 PolarHBondContact O-N 3.46Å; W74-V76 VanDerWaalsContact O-N 3.12Å; W74-W77 HydrophobicContact CE3-CH2 4.47Å; W74-W77 AromaticContact CE3-CZ2 3.65Å; W74-W77 HydrophobicContact CE3-CZ2 3.65Å; W74-W77 HydrophobicContact CZ3-CZ2 4.16Å; W74-W77 PolarHBondContact O-N 3.49Å; W74-Y151 HydrophobicContact CH2-CE2 4.09Å; W74-Y151 AromaticContact CZ3-CE2 3.91Å; W74-Y151 HydrophobicContact CZ3-CE2 3.91Å | ||
| 75 | K | 96.5 | Very high | 96.2 | Very high | 172 Ų | 172 | 59.2 Ų | 59.2 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.3 | -26.7 | -179.8 | -68.8 | -173.4 | 178.2 | 179.9 | 0 | 112.8 | K73 W77 L78 Q79 | K73-K75 PolarHBondContact O-N 3.05Å; K75-W77 PolarHBondContact O-N 3.26Å; K75-L78 WeakPolarHBondContact O-CB 3.47Å; K75-L78 PolarHBondContact O-N 2.91Å; K75-L78 VanDerWaalsContact O-N 3.09Å; K75-Q79 PolarHBondContact O-N 3.46Å |
| 76 | V | 97.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 58.3 Ų | 58.3 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.3 | -33.7 | 175.2 | 74 | 0 | 0 | 0 | 0 | 111.8 | S16 W74 Q79 F80 | S16-V76 WeakPolarHBondContact CB-O 3.41Å; S16-V76 WeakPolarHBondContact OG-CG2 3.34Å; W74-V76 HydrophobicContact CB-CG1 3.78Å; W74-V76 HydrophobicContact CE3-CG1 4.13Å; W74-V76 PolarHBondContact O-N 3.46Å; W74-V76 VanDerWaalsContact O-N 3.12Å; V76-Q79 PolarHBondContact O-N 3.14Å; V76-F80 WeakPolarHBondContact O-CB 3.31Å; V76-F80 PolarHBondContact O-N 2.78Å |
| 77 | W | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.4 | -29.6 | 178 | -50.1 | 137.7 | 0 | 0 | 0 | 113.4 | W20 V71 W74 K75 F80 R81 F115 T120 S122 | W20-W77 HydrophobicContact CB-CZ3 4.43Å; V71-W77 PolarHBondContact O-NE1 2.81Å; W74-W77 HydrophobicContact CE3-CH2 4.47Å; W74-W77 AromaticContact CE3-CZ2 3.65Å; W74-W77 HydrophobicContact CE3-CZ2 3.65Å; W74-W77 HydrophobicContact CZ3-CZ2 4.16Å; W74-W77 PolarHBondContact O-N 3.49Å; K75-W77 PolarHBondContact O-N 3.26Å; W77-F80 PolarHBondContact O-N 3.45Å; W77-R81 WeakPolarHBondContact O-CB 3.47Å; W77-R81 PolarHBondContact O-N 3.22Å; W77-F115 HydrophobicContact CD2-CE1 4.39Å; W77-F115 AromaticContact CE3-CE1 3.86Å; W77-F115 HydrophobicContact CE3-CE1 3.86Å; W77-F115 HydrophobicContact CE3-CZ 4.35Å; W77-F115 HydrophobicContact CH2-CE1 4.28Å; W77-F115 HydrophobicContact CH2-CZ 4.04Å; W77-F115 HydrophobicContact CZ2-CZ 4.29Å; W77-F115 AromaticContact CZ3-CE1 3.82Å; W77-F115 HydrophobicContact CZ3-CE1 3.82Å; W77-F115 HydrophobicContact CZ3-CZ 4.07Å; W77-T120 HydrophobicContact CB-CG2 3.97Å; W77-T120 HydrophobicContact CD2-CG2 3.83Å; W77-T120 HydrophobicContact CE3-CG2 4.42Å; W77-T120 HydrophobicContact CG-CG2 3.58Å; W77-S122 WeakPolarHBondContact O-CB 3.11Å |
| 78 | L | 96.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 171.8 | -62.3 | 173.1 | 0 | 0 | 0 | 110.2 | K75 R81 E82 | K75-L78 WeakPolarHBondContact O-CB 3.47Å; K75-L78 PolarHBondContact O-N 2.91Å; K75-L78 VanDerWaalsContact O-N 3.09Å; L78-R81 PolarHBondContact O-N 3.05Å; L78-E82 VanDerWaalsContact O-CG 3.23Å; L78-E82 WeakPolarHBondContact O-CG 3.4Å; L78-E82 PolarHBondContact O-N 2.87Å |
| 79 | Q | 97.6 | Very high | 97 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.7 | -54.1 | -58.5 | -18 | 0 | 0 | 111.7 | L12 E13 S16 K75 V76 E82 Y83 | L12-Q79 HydrophobicContact CB-CG 4.5Å; E13-Q79 HydrophobicContact CG-CB 4.41Å; S16-Q79 WeakPolarHBondContact OG-CB 3.17Å; K75-Q79 PolarHBondContact O-N 3.46Å; V76-Q79 PolarHBondContact O-N 3.14Å; Q79-E82 PolarHBondContact O-N 2.98Å; Q79-Y83 PolarHBondContact O-N 2.81Å |
| 80 | F | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 173.1 | 179.8 | -81.8 | 0 | 0 | 0 | 111.6 | V17 W20 V76 W77 E82 Y83 F84 A112 A116 | V17-F80 HydrophobicContact CB-CD2 4.43Å; V17-F80 HydrophobicContact CG2-CD2 3.77Å; V17-F80 HydrophobicContact CG2-CE2 4.28Å; V17-F80 HydrophobicContact CG2-CG 4.35Å; W20-F80 HydrophobicContact CB-CD2 4.14Å; W20-F80 HydrophobicContact CB-CE2 4.06Å; W20-F80 HydrophobicContact CD2-CD2 4.46Å; W20-F80 AromaticContact CD2-CE2 3.54Å; W20-F80 HydrophobicContact CD2-CE2 3.54Å; W20-F80 HydrophobicContact CD2-CZ 4.15Å; W20-F80 AromaticContact CE3-CE2 3.61Å; W20-F80 HydrophobicContact CE3-CE2 3.61Å; W20-F80 HydrophobicContact CE3-CZ 4.22Å; W20-F80 HydrophobicContact CG-CD2 4.24Å; W20-F80 AromaticContact CG-CE2 3.75Å; W20-F80 HydrophobicContact CG-CE2 3.75Å; W20-F80 HydrophobicContact CH2-CZ 4.41Å; W20-F80 HydrophobicContact CZ2-CZ 4.4Å; W20-F80 HydrophobicContact CZ3-CE2 4.15Å; W20-F80 HydrophobicContact CZ3-CZ 4.34Å; V76-F80 WeakPolarHBondContact O-CB 3.31Å; V76-F80 PolarHBondContact O-N 2.78Å; W77-F80 PolarHBondContact O-N 3.45Å; F80-E82 VanDerWaalsContact C-N 3.3Å; F80-E82 PolarHBondContact O-N 2.92Å; F80-Y83 WeakPolarHBondContact O-CB 3.46Å; F80-Y83 PolarHBondContact O-N 2.79Å; F80-F84 HydrophobicContact CD1-CD2 4.29Å; F80-F84 HydrophobicContact CD2-CE2 4.23Å; F80-F84 AromaticContact CE1-CD2 3.9Å; F80-F84 HydrophobicContact CE1-CD2 3.9Å; F80-F84 HydrophobicContact CE1-CE2 4.07Å; F80-F84 HydrophobicContact CE2-CD2 4.3Å; F80-F84 AromaticContact CE2-CE2 3.69Å; F80-F84 HydrophobicContact CE2-CE2 3.69Å; F80-F84 AromaticContact CZ-CD2 3.92Å; F80-F84 HydrophobicContact CZ-CD2 3.92Å; F80-F84 AromaticContact CZ-CE2 3.61Å; F80-F84 HydrophobicContact CZ-CE2 3.61Å; F80-F84 PolarHBondContact O-N 3.39Å; F80-A112 HydrophobicContact CE1-CB 4.38Å; F80-A112 HydrophobicContact CZ-CB 3.85Å; F80-A116 HydrophobicContact CD1-CB 4.09Å; F80-A116 HydrophobicContact CE1-CB 3.83Å |
| 81 | R | 97 | Very high | 97.2 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 177.5 | 169.2 | 176.7 | 172.5 | -146.9 | -13.6 | 111.7 | W77 L78 Y83 P85 V86 S122 | W77-R81 WeakPolarHBondContact O-CB 3.47Å; W77-R81 PolarHBondContact O-N 3.22Å; L78-R81 PolarHBondContact O-N 3.05Å; R81-Y83 VanDerWaalsContact C-N 3.33Å; R81-P85 CarbonylContact O-C 3.58Å; R81-P85 WeakPolarHBondContact O-CA 3.4Å; R81-P85 VanDerWaalsContact O-N 3.13Å; R81-V86 HydrophobicContact CG-CB 4.1Å; R81-V86 PolarHBondContact NE-O 3.09Å; R81-V86 VanDerWaalsContact NE-O 3.17Å; R81-V86 PolarHBondContact O-N 3.02Å; R81-S122 WeakPolarHBondContact CD-O 3.48Å; R81-S122 PolarHBondContact NH1-O 2.89Å |
| 82 | E | 96.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 54 Ų | 54 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.1 | -20.1 | -178.7 | -66.5 | -64.6 | 126.7 | 0 | 0 | 113.6 | K5 E13 L78 Q79 F80 P85 | K5-E82 PolarHBondContact NZ-O 3.45Å; E13-E82 HydrophobicContact CG-CB 4.43Å; E13-E82 WeakPolarHBondContact OE1-CB 3.17Å; L78-E82 VanDerWaalsContact O-CG 3.23Å; L78-E82 WeakPolarHBondContact O-CG 3.4Å; L78-E82 PolarHBondContact O-N 2.87Å; Q79-E82 PolarHBondContact O-N 2.98Å; F80-E82 VanDerWaalsContact C-N 3.3Å; F80-E82 PolarHBondContact O-N 2.92Å; E82-P85 VanDerWaalsContact O-CD 3.32Å; E82-P85 WeakPolarHBondContact O-CD 3.35Å |
| 83 | Y | 97.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 172.8 | -175.8 | -87.6 | 0 | 0 | 0 | 111.8 | E13 A14 V17 Q79 F80 R81 P85 L266 P267 R269 | E13-Y83 HydrophobicContact CB-CD2 3.85Å; E13-Y83 HydrophobicContact CB-CG 4.44Å; A14-Y83 HydrophobicContact CB-CE2 4.25Å; V17-Y83 HydrophobicContact CB-CD1 4.4Å; V17-Y83 HydrophobicContact CB-CG 4.36Å; V17-Y83 HydrophobicContact CG1-CD1 4.44Å; V17-Y83 HydrophobicContact CG1-CE1 4.4Å; V17-Y83 HydrophobicContact CG2-CD1 3.65Å; V17-Y83 HydrophobicContact CG2-CD2 4Å; V17-Y83 HydrophobicContact CG2-CE1 4.33Å; V17-Y83 HydrophobicContact CG2-CG 3.46Å; V17-Y83 VanDerWaalsContact CG2-CG 3.46Å; Q79-Y83 PolarHBondContact O-N 2.81Å; F80-Y83 WeakPolarHBondContact O-CB 3.46Å; F80-Y83 PolarHBondContact O-N 2.79Å; R81-Y83 VanDerWaalsContact C-N 3.33Å; Y83-P85 WeakPolarHBondContact O-CD 3.43Å; Y83-L266 HydrophobicContact CE2-CD1 4.31Å; Y83-L266 HydrophobicContact CE2-CD2 4.36Å; Y83-L266 WeakPolarHBondContact OH-CD2 3.46Å; Y83-L266 VanDerWaalsContact OH-CG 3.31Å; Y83-L266 WeakPolarHBondContact OH-CG 3.28Å; Y83-P267 WeakPolarHBondContact CE1-O 3.31Å; Y83-P267 PolarHBondContact OH-O 3.16Å; Y83-R269 HydrophobicContact CD1-CG 4.16Å; Y83-R269 HydrophobicContact CD2-CG 4.2Å; Y83-R269 HydrophobicContact CE1-CB 4.43Å; Y83-R269 HydrophobicContact CE1-CG 3.59Å; Y83-R269 HydrophobicContact CE2-CG 3.64Å; Y83-R269 VanDerWaalsContact CE2-CZ 3.48Å; Y83-R269 VanDerWaalsContact CE2-NE 3.25Å; Y83-R269 HydrophobicContact CG-CG 4.44Å; Y83-R269 WeakPolarHBondContact OH-CG 3.41Å |
| 84 | F | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 17.1 | -179.6 | -61.8 | -69.9 | 0 | 0 | 0 | 114.3 | V17 F80 V86 A112 L228 P267 K270 P271 V272 | V17-F84 HydrophobicContact CB-CE2 4.43Å; V17-F84 HydrophobicContact CG1-CE2 3.8Å; V17-F84 HydrophobicContact CG1-CZ 3.71Å; V17-F84 HydrophobicContact CG2-CD2 4.3Å; V17-F84 HydrophobicContact CG2-CE2 3.68Å; V17-F84 HydrophobicContact CG2-CZ 4.27Å; F80-F84 HydrophobicContact CD1-CD2 4.29Å; F80-F84 HydrophobicContact CD2-CE2 4.23Å; F80-F84 AromaticContact CE1-CD2 3.9Å; F80-F84 HydrophobicContact CE1-CD2 3.9Å; F80-F84 HydrophobicContact CE1-CE2 4.07Å; F80-F84 HydrophobicContact CE2-CD2 4.3Å; F80-F84 AromaticContact CE2-CE2 3.69Å; F80-F84 HydrophobicContact CE2-CE2 3.69Å; F80-F84 AromaticContact CZ-CD2 3.92Å; F80-F84 HydrophobicContact CZ-CD2 3.92Å; F80-F84 AromaticContact CZ-CE2 3.61Å; F80-F84 HydrophobicContact CZ-CE2 3.61Å; F80-F84 PolarHBondContact O-N 3.39Å; F84-V86 HydrophobicContact CB-CG2 3.67Å; F84-V86 PolarHBondContact O-N 3.12Å; F84-A112 HydrophobicContact CE2-CB 4.45Å; F84-L228 HydrophobicContact CD1-CD1 4.27Å; F84-L228 HydrophobicContact CD1-CD2 3.6Å; F84-L228 HydrophobicContact CE1-CD1 4.03Å; F84-L228 HydrophobicContact CE1-CD2 3.69Å; F84-L228 HydrophobicContact CE1-CG 4.28Å; F84-L228 HydrophobicContact CZ-CD1 4.45Å; F84-P267 HydrophobicContact CE1-CB 3.73Å; F84-P267 HydrophobicContact CE1-CG 4.42Å; F84-P267 HydrophobicContact CZ-CB 3.65Å; F84-P267 HydrophobicContact CZ-CG 3.83Å; F84-K270 CarbonylContact C-O 3.44Å; F84-K270 WeakPolarHBondContact CA-O 3.23Å; F84-P271 CarbonylContact O-C 3.58Å; F84-P271 WeakPolarHBondContact O-CA 3.38Å; F84-V272 HydrophobicContact CB-CG2 4.21Å; F84-V272 PolarHBondContact O-N 3.33Å |
| 85 | P | 96 | Very high | 97.4 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 19.9 | 59.1 | -157.8 | -7.1 | -14.8 | 0 | 0 | 0 | 116.6 | R81 E82 Y83 K87 P271 | R81-P85 CarbonylContact O-C 3.58Å; R81-P85 WeakPolarHBondContact O-CA 3.4Å; R81-P85 VanDerWaalsContact O-N 3.13Å; E82-P85 VanDerWaalsContact O-CD 3.32Å; E82-P85 WeakPolarHBondContact O-CD 3.35Å; Y83-P85 WeakPolarHBondContact O-CD 3.43Å; P85-K87 PolarHBondContact O-N 3.41Å; P85-P271 HydrophobicContact CG-CB 4.47Å |
| 86 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -66.6 | 130.8 | -172.6 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | R81 F84 A116 V272 | R81-V86 HydrophobicContact CG-CB 4.1Å; R81-V86 PolarHBondContact NE-O 3.09Å; R81-V86 VanDerWaalsContact NE-O 3.17Å; R81-V86 PolarHBondContact O-N 3.02Å; F84-V86 HydrophobicContact CB-CG2 3.67Å; F84-V86 PolarHBondContact O-N 3.12Å; V86-A116 HydrophobicContact CB-CB 4.39Å; V86-A116 HydrophobicContact CG1-CB 4.06Å; V86-A116 HydrophobicContact CG2-CB 4.2Å; V86-V272 CarbonylContact C-O 3.49Å; V86-V272 VanDerWaalsContact CA-O 3.28Å; V86-V272 WeakPolarHBondContact CA-O 3.42Å; V86-V272 HydrophobicContact CG1-CB 4.45Å; V86-V272 HydrophobicContact CG2-CB 4.34Å | ||
| 87 | K | 97.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 54% | 0.543 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137 | 176.3 | -63.8 | 178.1 | -174.7 | 176 | 0 | 111.1 | P85 V272 T273 T274 | P85-K87 PolarHBondContact O-N 3.41Å; K87-V272 PolarHBondContact N-O 2.86Å; K87-T273 HydrophobicContact CB-CG2 4.26Å; K87-T274 PolarHBondContact O-N 3.17Å |
| 88 | L | 98.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.6 | 168.2 | 179.8 | 63.3 | 0 | 0 | 0 | 108.6 | C117 F118 C123 F125 T128 F129 T274 V276 | L88-C117 HydrophobicContact CD1-CB 4.16Å; L88-F118 HydrophobicContact CD1-CE1 4.46Å; L88-C123 HydrophobicContact CB-CB 4.37Å; L88-F125 HydrophobicContact CD2-CB 4.06Å; L88-F125 HydrophobicContact CD2-CD2 3.93Å; L88-F125 HydrophobicContact CD2-CG 4.44Å; L88-T128 HydrophobicContact CD2-CG2 4.25Å; L88-F129 HydrophobicContact CD2-CE2 4.39Å; L88-T274 CarbonylContact C-O 3.49Å; L88-T274 WeakPolarHBondContact CA-O 3.44Å; L88-T274 HydrophobicContact CD1-CG2 4.36Å; L88-V276 HydrophobicContact CD1-CG2 3.68Å |
| 89 | V | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.4 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | T273 T274 V275 V276 | V89-T273 HydrophobicContact CG2-CG2 3.68Å; V89-T274 PolarHBondContact N-O 3.06Å; V89-V275 HydrophobicContact CB-CB 4.4Å; V89-V275 HydrophobicContact CB-CG1 4.23Å; V89-V275 HydrophobicContact CB-CG2 4.12Å; V89-V275 HydrophobicContact CG1-CG1 4.13Å; V89-V276 PolarHBondContact O-N 3.22Å |
| 90 | K | 97.7 | Very high | 97.7 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.8 | 178 | 170.5 | -179.5 | 179.5 | -178.8 | 0 | 109.6 | A92 D93 T128 F129 | K90-A92 WeakPolarHBondContact CE-O 3.36Å; K90-A92 VanDerWaalsContact CG-O 3.27Å; K90-A92 WeakPolarHBondContact CG-O 3.44Å; K90-D93 WeakPolarHBondContact CE-OD1 3.47Å; K90-D93 IonicContact NZ-OD1 2.94Å; K90-D93 PolarHBondContact NZ-OD1 2.88Å; K90-T128 HydrophobicContact CB-CG2 3.68Å; K90-T128 HydrophobicContact CD-CG2 3.75Å; K90-T128 WeakPolarHBondContact CD-O 3.45Å; K90-T128 HydrophobicContact CG-CG2 4.28Å; K90-T128 PolarHBondContact NZ-O 3.5Å; K90-F129 HydrophobicContact CB-CE1 4.29Å; K90-F129 HydrophobicContact CB-CZ 3.86Å; K90-F129 HydrophobicContact CD-CD1 4.2Å; K90-F129 HydrophobicContact CD-CE1 3.71Å; K90-F129 HydrophobicContact CD-CZ 4.06Å; K90-F129 HydrophobicContact CG-CE1 3.62Å; K90-F129 HydrophobicContact CG-CZ 3.71Å |
| 91 | T | 98.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -101.5 | -21.1 | 174.8 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | V275 V276 G277 S278 L307 | T91-V275 HydrophobicContact CG2-CG1 3.66Å; T91-V276 WeakPolarHBondContact CG2-O 3.47Å; T91-V276 PolarHBondContact N-O 2.9Å; T91-V276 VanDerWaalsContact N-O 3.1Å; T91-V276 PolarHBondContact OG1-O 3.08Å; T91-G277 WeakPolarHBondContact OG1-CA 3.26Å; T91-S278 PolarHBondContact OG1-N 3.44Å; T91-L307 HydrophobicContact CG2-CD1 3.92Å |
| 92 | A | 97.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 22% | 0.223 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -150.8 | 160.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K90 F129 | K90-A92 WeakPolarHBondContact CE-O 3.36Å; K90-A92 VanDerWaalsContact CG-O 3.27Å; K90-A92 WeakPolarHBondContact CG-O 3.44Å; A92-F129 WeakPolarHBondContact O-CE1 3.28Å |
| 93 | D | 97.8 | Very high | 97.9 | Very high | 123 Ų | 123 | 41.1 Ų | 41.1 | 66% | 0.658 | 22% | 0.223 | S | C | * | . | trans | -71.1 | 141.6 | 171.1 | -72.1 | -50 | 0 | 0 | 0 | 112.1 | K90 | K90-D93 WeakPolarHBondContact CE-OD1 3.47Å; K90-D93 IonicContact NZ-OD1 2.94Å; K90-D93 PolarHBondContact NZ-OD1 2.88Å | ||
| 94 | L | 98.2 | Very high | 98 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -107 | 113.7 | 167 | -58.9 | -177.5 | 0 | 0 | 0 | 107.5 | Y100 F129 V132 V218 P279 | L94-Y100 HydrophobicContact CB-CD2 4.5Å; L94-Y100 HydrophobicContact CB-CE1 4.44Å; L94-Y100 HydrophobicContact CB-CE2 3.89Å; L94-Y100 HydrophobicContact CD2-CD1 4.05Å; L94-Y100 HydrophobicContact CD2-CE1 3.75Å; L94-F129 HydrophobicContact CB-CD1 3.82Å; L94-F129 HydrophobicContact CB-CE1 4.37Å; L94-F129 HydrophobicContact CD1-CD1 3.71Å; L94-F129 HydrophobicContact CD1-CE1 3.81Å; L94-F129 HydrophobicContact CD1-CG 4.2Å; L94-F129 HydrophobicContact CD1-CZ 4.38Å; L94-F129 HydrophobicContact CG-CD1 3.58Å; L94-F129 HydrophobicContact CG-CE1 3.65Å; L94-F129 HydrophobicContact CG-CG 4.49Å; L94-V132 HydrophobicContact CB-CG2 4Å; L94-V132 WeakPolarHBondContact O-CG2 3.12Å; L94-V218 HydrophobicContact CD2-CG2 4.08Å; L94-P279 HydrophobicContact CD2-CB 4.24Å; L94-P279 HydrophobicContact CD2-CG 4.19Å | ||
| 95 | S | 97.8 | Very high | 98 | Very high | 49 Ų | 49 | 41 Ų | 41 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | trans | -65.7 | 130.6 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | N97 K98 Y100 | S95-N97 PolarHBondContact O-N 3.19Å; S95-N97 PolarHBondContact OG-N 3.33Å; S95-K98 PolarHBondContact O-N 3.44Å; S95-Y100 PolarHBondContact N-OH 3.41Å; S95-Y100 WeakPolarHBondContact O-CE2 3.43Å; S95-Y100 PolarHBondContact O-OH 2.82Å | ||
| 96 | P | 97.7 | Very high | 98 | Very high | 56 Ų | 56 | 38.3 Ų | 38.3 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.5 | 174.8 | 29.4 | -36.4 | 0 | 0 | 0 | 113.1 | K98 K174 G175 | P96-K98 VanDerWaalsContact C-N 3.31Å; P96-K174 CarbonylContact O-C 3.55Å; P96-K174 WeakPolarHBondContact O-CB 3.44Å; P96-G175 VanDerWaalsContact O-CA 3.25Å; P96-G175 WeakPolarHBondContact O-CA 3.4Å; P96-G175 PolarHBondContact O-N 3.22Å |
| 97 | N | 97.6 | Very high | 97.8 | Very high | 124 Ų | 124 | 39.8 Ų | 39.8 | 66% | 0.663 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2.5 | 178.2 | -63.9 | -34 | 0 | 0 | 0 | 113.4 | S95 K174 | S95-N97 PolarHBondContact O-N 3.19Å; S95-N97 PolarHBondContact OG-N 3.33Å; N97-K174 WeakPolarHBondContact O-CD 3.35Å; N97-K174 WeakPolarHBondContact O-CG 3.41Å |
| 98 | K | 97.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -119.9 | 161.1 | 177.9 | -67.7 | -164.3 | 179.4 | -165.8 | 0 | 111.7 | S95 P96 Y100 G175 D216 | S95-K98 PolarHBondContact O-N 3.44Å; P96-K98 VanDerWaalsContact C-N 3.31Å; K98-Y100 HydrophobicContact CB-CE1 4.36Å; K98-Y100 HydrophobicContact CB-CE2 3.97Å; K98-Y100 WeakPolarHBondContact O-CE2 3.5Å; K98-G175 VanDerWaalsContact O-CA 3.3Å; K98-G175 WeakPolarHBondContact O-CA 3.31Å; K98-G175 PolarHBondContact O-N 3.38Å; K98-D216 WeakPolarHBondContact CD-OD2 3.22Å; K98-D216 IonicContact NZ-OD1 3.48Å; K98-D216 PolarHBondContact NZ-OD1 2.72Å; K98-D216 IonicContact NZ-OD2 2.74Å; K98-D216 PolarHBondContact NZ-OD2 3.2Å |
| 99 | N | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -106.5 | 154.1 | 169.3 | -71.4 | -26.1 | 0 | 0 | 0 | 108.6 | L169 G173 K174 G175 N176 A215 D216 | N99-L169 HydrophobicContact CB-CD2 3.84Å; N99-L169 PolarHBondContact ND2-O 3.21Å; N99-G173 PolarHBondContact ND2-O 2.89Å; N99-G173 PolarHBondContact OD1-O 2.68Å; N99-K174 VanDerWaalsContact OD1-CA 3.29Å; N99-K174 WeakPolarHBondContact OD1-CA 3.29Å; N99-G175 PolarHBondContact OD1-N 2.83Å; N99-G175 VanDerWaalsContact OD1-N 3.15Å; N99-N176 CarbonylContact C-O 3.57Å; N99-N176 WeakPolarHBondContact CA-O 3.42Å; N99-N176 WeakPolarHBondContact OD1-CB 3.31Å; N99-N176 PolarHBondContact OD1-N 3.15Å; N99-N176 PolarHBondContact OD1-ND2 2.75Å; N99-A215 HydrophobicContact CB-CB 4.22Å; N99-A215 CarbonylContact O-C 3.56Å; N99-A215 WeakPolarHBondContact O-CA 3.25Å; N99-D216 PolarHBondContact O-N 3.31Å | ||
| 100 | Y | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146 | -171.5 | -57.8 | -84.8 | 0 | 0 | 0 | 111.3 | L94 S95 K98 L102 V132 N176 V178 D216 V218 P279 | L94-Y100 HydrophobicContact CB-CD2 4.5Å; L94-Y100 HydrophobicContact CB-CE1 4.44Å; L94-Y100 HydrophobicContact CB-CE2 3.89Å; L94-Y100 HydrophobicContact CD2-CD1 4.05Å; L94-Y100 HydrophobicContact CD2-CE1 3.75Å; S95-Y100 PolarHBondContact N-OH 3.41Å; S95-Y100 WeakPolarHBondContact O-CE2 3.43Å; S95-Y100 PolarHBondContact O-OH 2.82Å; K98-Y100 HydrophobicContact CB-CE1 4.36Å; K98-Y100 HydrophobicContact CB-CE2 3.97Å; K98-Y100 WeakPolarHBondContact O-CE2 3.5Å; Y100-L102 HydrophobicContact CG-CD1 4.48Å; Y100-V132 HydrophobicContact CD2-CG1 4.44Å; Y100-N176 PolarHBondContact N-O 2.84Å; Y100-V178 PolarHBondContact O-N 2.93Å; Y100-D216 VanDerWaalsContact CA-O 3.26Å; Y100-D216 WeakPolarHBondContact CA-O 3.37Å; Y100-D216 HydrophobicContact CD1-CB 3.69Å; Y100-D216 HydrophobicContact CE1-CB 3.79Å; Y100-V218 HydrophobicContact CD1-CG2 3.68Å; Y100-V218 HydrophobicContact CG-CG2 4.33Å; Y100-P279 HydrophobicContact CD1-CB 4.41Å; Y100-P279 HydrophobicContact CE1-CB 3.98Å |
| 101 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112.7 | 160.6 | -61.2 | -174.6 | 0 | 0 | 0 | 107.9 | L169 V178 I180 F206 T209 A210 A215 D216 L217 V218 | I101-L169 HydrophobicContact CD1-CD1 3.8Å; I101-L169 HydrophobicContact CG1-CD1 4Å; I101-L169 HydrophobicContact CG1-CD2 4.39Å; I101-V178 CarbonylContact C-O 3.59Å; I101-V178 WeakPolarHBondContact CA-O 3.42Å; I101-I180 HydrophobicContact CG2-CD1 3.68Å; I101-I180 HydrophobicContact CG2-CG1 4.31Å; I101-F206 WeakPolarHBondContact CD1-O 3.26Å; I101-F206 HydrophobicContact CG2-CB 4.28Å; I101-F206 HydrophobicContact CG2-CD2 4.12Å; I101-T209 HydrophobicContact CD1-CG2 4.13Å; I101-A210 HydrophobicContact CD1-CB 3.93Å; I101-A210 HydrophobicContact CG1-CB 4.48Å; I101-A215 HydrophobicContact CG1-CB 4.29Å; I101-D216 PolarHBondContact N-O 2.99Å; I101-L217 HydrophobicContact CB-CD2 4.25Å; I101-V218 PolarHBondContact O-N 3.43Å |
| 102 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.3 | 176.3 | -82.9 | 60.4 | 0 | 0 | 0 | 108.1 | Y100 F118 A177 V178 V179 I180 V218 V220 V276 | Y100-L102 HydrophobicContact CG-CD1 4.48Å; L102-F118 HydrophobicContact CD2-CE1 4.05Å; L102-F118 HydrophobicContact CD2-CZ 4.47Å; L102-A177 HydrophobicContact CD1-CB 3.84Å; L102-A177 HydrophobicContact CD2-CB 4.41Å; L102-V178 PolarHBondContact N-O 3.27Å; L102-V179 HydrophobicContact CB-CB 4.35Å; L102-V179 HydrophobicContact CB-CG1 4.21Å; L102-V179 HydrophobicContact CB-CG2 4.04Å; L102-V179 HydrophobicContact CD2-CG2 4.08Å; L102-V179 CarbonylContact O-C 3.55Å; L102-V179 WeakPolarHBondContact O-CA 3.49Å; L102-I180 PolarHBondContact O-N 3.46Å; L102-V218 CarbonylContact C-O 3.44Å; L102-V218 WeakPolarHBondContact CA-O 3.46Å; L102-V218 HydrophobicContact CD1-CB 3.81Å; L102-V218 HydrophobicContact CD1-CG1 4.4Å; L102-V218 HydrophobicContact CD1-CG2 3.87Å; L102-V218 HydrophobicContact CG-CB 3.82Å; L102-V218 HydrophobicContact CG-CG1 4.09Å; L102-V218 HydrophobicContact CG-CG2 4.42Å; L102-V220 HydrophobicContact CB-CG2 3.97Å; L102-V220 HydrophobicContact CD2-CG2 4.11Å; L102-V220 HydrophobicContact CG-CG2 3.99Å; L102-V276 HydrophobicContact CD2-CG1 4.48Å |
| 103 | G | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 111.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H105 I180 V218 V220 Y300 | G103-H105 PolarHBondContact O-CD2 3.36Å; G103-I180 CarbonylContact C-O 3.59Å; G103-I180 WeakPolarHBondContact CA-O 3.32Å; G103-V218 PolarHBondContact N-O 3.46Å; G103-V220 WeakPolarHBondContact O-CB 3.39Å; G103-V220 PolarHBondContact O-N 3.05Å; G103-Y300 WeakPolarHBondContact CA-OH 3.24Å; G103-Y300 PolarHBondContact O-OH 3.23Å |
| 104 | S | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.1 | -179.4 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | I180 V181 | S104-I180 PolarHBondContact N-O 3.44Å; S104-V181 WeakPolarHBondContact O-CA 3.33Å |
| 105 | H | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.5 | -177.6 | -57.4 | -90.9 | 0 | 0 | 0 | 111.1 | G103 V198 M200 V220 Y221 S222 Y300 L304 | G103-H105 PolarHBondContact O-CD2 3.36Å; H105-V198 HydrophobicContact CB-CG1 3.83Å; H105-M200 VanDerWaalsContact CE1-SD 3.57Å; H105-V220 PolarHBondContact N-O 3.08Å; H105-Y221 HydrophobicContact CB-CD2 4.09Å; H105-Y221 CarbonylContact O-C 3.56Å; H105-Y221 VanDerWaalsContact O-CA 3.26Å; H105-Y221 WeakPolarHBondContact O-CA 3.29Å; H105-S222 PolarHBondContact O-N 2.98Å; H105-Y300 PolarHBondContact CD2-OH 2.88Å; H105-Y300 AromaticContact NE2-CE1 3.7Å; H105-Y300 AromaticContact NE2-CZ 3.83Å; H105-Y300 PolarHBondContact NE2-OH 3.1Å; H105-L304 HydrophobicContact CB-CD1 4.48Å; H105-L304 HydrophobicContact CB-CD2 4.45Å |
| 106 | P | 96.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | cis | -69.2 | 170.6 | -28.7 | 35.1 | -33.7 | 0 | 0 | 0 | 110.1 | G108 E187 V198 S222 E225 | P106-G108 VanDerWaalsContact C-N 3.31Å; P106-E187 WeakPolarHBondContact CA-OE1 3.43Å; P106-V198 HydrophobicContact CB-CG1 4.23Å; P106-S222 WeakPolarHBondContact CD-O 3.21Å; P106-E225 HydrophobicContact CG-CB 4.09Å; P106-E225 HydrophobicContact CG-CG 4.42Å | ||
| 107 | H | 93.7 | Very high | 96.5 | Very high | 32 Ų | 32 | 14.3 Ų | 14.3 | 15% | 0.148 | 7% | 0.072 | C | C | . | . | trans | -67.1 | -34.9 | 172.3 | -172 | -69.1 | 0 | 0 | 0 | 111.1 | C111 V181 G184 E187 | H107-C111 PolarHBondContact CD2-SG 3.05Å; H107-C111 PolarHBondContact CE1-SG 3.34Å; H107-C111 PolarHBondContact ND1-SG 3.03Å; H107-C111 VanDerWaalsContact O-CA 3.31Å; H107-C111 WeakPolarHBondContact O-CA 3.34Å; H107-C111 PolarHBondContact O-N 3.17Å; H107-C111 PolarHBondContact O-SG 3.18Å; H107-V181 HydrophobicContact CB-CG1 3.51Å; H107-V181 WeakPolarHBondContact CD2-CG1 3.42Å; H107-G184 PolarHBondContact CD2-O 2.94Å; H107-E187 HydrophobicContact CB-CB 4.07Å; H107-E187 HydrophobicContact CB-CG 4.1Å; H107-E187 WeakPolarHBondContact CB-OE1 3.04Å; H107-E187 PolarHBondContact N-OE1 3.17Å | ||
| 108 | G | 90.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -153.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P106 S188 | P106-G108 VanDerWaalsContact C-N 3.31Å; G108-S188 VanDerWaalsContact O-CA 3.22Å; G108-S188 WeakPolarHBondContact O-CA 3.25Å; G108-S188 VanDerWaalsContact O-CB 3.26Å; G108-S188 WeakPolarHBondContact O-CB 3.26Å; G108-S188 PolarHBondContact O-OG 3.28Å |
| 109 | I | 90.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 4.6 Ų | 4.6 | 5% | 0.046 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -39.5 | 175.5 | -52.4 | -58 | 0 | 0 | 0 | 111.8 | F229 Q231 C256 F258 | I109-F229 HydrophobicContact CB-CB 4.27Å; I109-F229 HydrophobicContact CB-CD2 3.7Å; I109-F229 HydrophobicContact CB-CE2 4.27Å; I109-F229 HydrophobicContact CB-CG 4.2Å; I109-F229 HydrophobicContact CG1-CB 3.64Å; I109-F229 HydrophobicContact CG1-CD2 3.98Å; I109-F229 HydrophobicContact CG1-CG 4.12Å; I109-F229 HydrophobicContact CG2-CD2 4.36Å; I109-Q231 HydrophobicContact CD1-CB 4.2Å; I109-Q231 HydrophobicContact CD1-CG 4.37Å; I109-C256 VanDerWaalsContact CD1-SG 3.52Å; I109-F258 HydrophobicContact CG1-CB 4.47Å; I109-F258 HydrophobicContact CG2-CB 4.12Å; I109-F258 HydrophobicContact CG2-CD1 3.39Å; I109-F258 HydrophobicContact CG2-CE1 3.87Å; I109-F258 HydrophobicContact CG2-CG 3.85Å |
| 110 | M | 91.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 4.5 Ų | 4.5 | 3% | 0.034 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.4 | 8.6 | -170.2 | -60.7 | -177.4 | 62.5 | 0 | 0 | 115.2 | W20 V21 F24 A112 F229 F258 | W20-M110 HydrophobicContact CE3-CE 3.97Å; W20-M110 HydrophobicContact CH2-CB 3.3Å; W20-M110 HydrophobicContact CH2-CE 3.98Å; W20-M110 HydrophobicContact CH2-CG 4.41Å; W20-M110 VanDerWaalsContact CH2-O 3.3Å; W20-M110 WeakPolarHBondContact CH2-O 3.39Å; W20-M110 HydrophobicContact CH2-SD 4.45Å; W20-M110 HydrophobicContact CZ2-CB 4.12Å; W20-M110 HydrophobicContact CZ2-CE 4.45Å; W20-M110 VanDerWaalsContact CZ2-O 3.29Å; W20-M110 WeakPolarHBondContact CZ2-O 3.41Å; W20-M110 HydrophobicContact CZ3-CB 3.82Å; W20-M110 HydrophobicContact CZ3-CE 3.69Å; W20-M110 HydrophobicContact CZ3-SD 4.05Å; V21-M110 HydrophobicContact CB-CE 4.32Å; V21-M110 HydrophobicContact CG1-CE 4.35Å; V21-M110 HydrophobicContact CG1-SD 4.28Å; V21-M110 HydrophobicContact CG2-CE 4.19Å; V21-M110 HydrophobicContact CG2-SD 4.16Å; F24-M110 HydrophobicContact CB-CE 3.37Å; F24-M110 HydrophobicContact CD1-CE 3.27Å; F24-M110 HydrophobicContact CD1-CG 4.35Å; F24-M110 HydrophobicContact CD1-SD 4.22Å; F24-M110 HydrophobicContact CD2-CE 4.14Å; F24-M110 HydrophobicContact CE1-CE 4.03Å; F24-M110 HydrophobicContact CE1-CG 4.17Å; F24-M110 HydrophobicContact CG-CE 3.33Å; M110-A112 PolarHBondContact O-N 3.36Å; M110-F229 HydrophobicContact CB-CE2 4.25Å; M110-F229 HydrophobicContact CG-CE2 4.03Å; M110-F229 HydrophobicContact CG-CZ 4.24Å; M110-F229 HydrophobicContact SD-CE1 4.44Å; M110-F229 HydrophobicContact SD-CE2 3.92Å; M110-F229 HydrophobicContact SD-CZ 3.52Å; M110-F229 VanDerWaalsContact SD-CZ 3.52Å; M110-F258 HydrophobicContact SD-CZ 4.12Å |
| 111 | C | 93.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 6.4 Ų | 6.4 | 8% | 0.081 | 3% | 0.032 | C | C | . | . | trans | 54.6 | 44.4 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 114.7 | H107 G113 A114 F115 V181 E225 | H107-C111 PolarHBondContact CD2-SG 3.05Å; H107-C111 PolarHBondContact CE1-SG 3.34Å; H107-C111 PolarHBondContact ND1-SG 3.03Å; H107-C111 VanDerWaalsContact O-CA 3.31Å; H107-C111 WeakPolarHBondContact O-CA 3.34Å; H107-C111 PolarHBondContact O-N 3.17Å; H107-C111 PolarHBondContact O-SG 3.18Å; C111-G113 VanDerWaalsContact C-N 3.33Å; C111-G113 PolarHBondContact O-N 2.94Å; C111-A114 HydrophobicContact CB-CB 4.13Å; C111-A114 PolarHBondContact O-N 3.48Å; C111-F115 WeakPolarHBondContact O-CB 3.29Å; C111-F115 PolarHBondContact O-N 3.45Å; C111-V181 HydrophobicContact CB-CG2 4.46Å; C111-E225 VanDerWaalsContact C-OE1 3.26Å; C111-E225 WeakPolarHBondContact CA-OE1 2.98Å; C111-E225 PolarHBondContact N-OE1 3.48Å | ||
| 112 | A | 96.8 | Very high | 96 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.008 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W20 F80 F84 M110 F115 A116 E225 L228 | W20-A112 HydrophobicContact CH2-CB 3.94Å; W20-A112 HydrophobicContact CZ3-CB 4.45Å; F80-A112 HydrophobicContact CE1-CB 4.38Å; F80-A112 HydrophobicContact CZ-CB 3.85Å; F84-A112 HydrophobicContact CE2-CB 4.45Å; M110-A112 PolarHBondContact O-N 3.36Å; A112-F115 PolarHBondContact O-N 2.86Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.87Å; A112-E225 PolarHBondContact N-OE1 2.94Å; A112-L228 HydrophobicContact CB-CD1 3.44Å; A112-L228 VanDerWaalsContact CB-CD1 3.44Å |
| 113 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C111 F115 A116 C117 E225 | C111-G113 VanDerWaalsContact C-N 3.33Å; C111-G113 PolarHBondContact O-N 2.94Å; G113-F115 PolarHBondContact O-N 3.27Å; G113-A116 PolarHBondContact O-N 2.92Å; G113-C117 VanDerWaalsContact O-CB 3.25Å; G113-C117 WeakPolarHBondContact O-CB 3.4Å; G113-C117 PolarHBondContact O-N 2.72Å; G113-C117 PolarHBondContact O-SG 2.95Å; G113-E225 WeakPolarHBondContact CA-OE2 3.49Å; G113-E225 PolarHBondContact N-OE2 3.45Å |
| 114 | A | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 8 Ų | 8 | 2% | 0.017 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C111 F118 L136 | C111-A114 HydrophobicContact CB-CB 4.13Å; C111-A114 PolarHBondContact O-N 3.48Å; A114-F118 HydrophobicContact CB-CD2 4.11Å; A114-F118 HydrophobicContact CB-CE2 4.47Å; A114-F118 WeakPolarHBondContact O-CB 3.46Å; A114-F118 VanDerWaalsContact O-CD2 3.26Å; A114-F118 WeakPolarHBondContact O-CD2 3.41Å; A114-F118 PolarHBondContact O-N 2.64Å; A114-L136 HydrophobicContact CB-CD1 4.33Å; A114-L136 HydrophobicContact CB-CD2 4.47Å |
| 115 | F | 97.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 8.1 Ų | 8.1 | 9% | 0.088 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.3 | -51.9 | 176.5 | 178.3 | -100.3 | 0 | 0 | 0 | 111.4 | W20 W77 C111 A112 G113 C117 S119 T120 | W20-F115 AromaticContact CD1-CD1 3.74Å; W20-F115 AromaticContact CD1-CE1 3.41Å; W20-F115 VanDerWaalsContact CD1-CE1 3.41Å; W20-F115 AromaticContact CD1-CZ 3.76Å; W20-F115 HydrophobicContact CG-CE1 4.48Å; W20-F115 HydrophobicContact CZ2-CB 4.28Å; W20-F115 HydrophobicContact CZ2-CG 4.43Å; W20-F115 AromaticContact NE1-CD1 3.24Å; W20-F115 AromaticContact NE1-CD2 3.85Å; W20-F115 AromaticContact NE1-CE1 3.39Å; W20-F115 AromaticContact NE1-CE2 3.98Å; W20-F115 AromaticContact NE1-CG 3.49Å; W20-F115 AromaticContact NE1-CZ 3.77Å; W77-F115 HydrophobicContact CD2-CE1 4.39Å; W77-F115 AromaticContact CE3-CE1 3.86Å; W77-F115 HydrophobicContact CE3-CE1 3.86Å; W77-F115 HydrophobicContact CE3-CZ 4.35Å; W77-F115 HydrophobicContact CH2-CE1 4.28Å; W77-F115 HydrophobicContact CH2-CZ 4.04Å; W77-F115 HydrophobicContact CZ2-CZ 4.29Å; W77-F115 AromaticContact CZ3-CE1 3.82Å; W77-F115 HydrophobicContact CZ3-CE1 3.82Å; W77-F115 HydrophobicContact CZ3-CZ 4.07Å; C111-F115 WeakPolarHBondContact O-CB 3.29Å; C111-F115 PolarHBondContact O-N 3.45Å; A112-F115 PolarHBondContact O-N 2.86Å; G113-F115 PolarHBondContact O-N 3.27Å; F115-C117 PolarHBondContact O-N 2.79Å; F115-S119 WeakPolarHBondContact O-CA 3.43Å; F115-S119 VanDerWaalsContact O-CB 3.24Å; F115-S119 WeakPolarHBondContact O-CB 3.42Å; F115-S119 PolarHBondContact O-N 2.75Å; F115-T120 HydrophobicContact CD1-CG2 4.2Å; F115-T120 HydrophobicContact CE1-CG2 3.69Å; F115-T120 HydrophobicContact CZ-CG2 3.97Å; F115-T120 PolarHBondContact O-N 3.21Å |
| 116 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F80 V86 A112 G113 T120 | F80-A116 HydrophobicContact CD1-CB 4.09Å; F80-A116 HydrophobicContact CE1-CB 3.83Å; V86-A116 HydrophobicContact CB-CB 4.39Å; V86-A116 HydrophobicContact CG1-CB 4.06Å; V86-A116 HydrophobicContact CG2-CB 4.2Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.87Å; G113-A116 PolarHBondContact O-N 2.92Å; A116-T120 PolarHBondContact O-OG1 3.4Å |
| 117 | C | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -74.8 | -37.4 | -175.4 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | L88 G113 F115 F125 T274 | L88-C117 HydrophobicContact CD1-CB 4.16Å; G113-C117 VanDerWaalsContact O-CB 3.25Å; G113-C117 WeakPolarHBondContact O-CB 3.4Å; G113-C117 PolarHBondContact O-N 2.72Å; G113-C117 PolarHBondContact O-SG 2.95Å; F115-C117 PolarHBondContact O-N 2.79Å; C117-F125 WeakPolarHBondContact O-CB 3.48Å; C117-T274 HydrophobicContact CB-CG2 4.38Å |
| 118 | F | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -115.1 | -15.5 | -167.9 | -52.4 | -61.7 | 0 | 0 | 0 | 114.5 | L88 L102 A114 F125 S134 L136 V179 V220 T274 V276 | L88-F118 HydrophobicContact CD1-CE1 4.46Å; L102-F118 HydrophobicContact CD2-CE1 4.05Å; L102-F118 HydrophobicContact CD2-CZ 4.47Å; A114-F118 HydrophobicContact CB-CD2 4.11Å; A114-F118 HydrophobicContact CB-CE2 4.47Å; A114-F118 WeakPolarHBondContact O-CB 3.46Å; A114-F118 VanDerWaalsContact O-CD2 3.26Å; A114-F118 WeakPolarHBondContact O-CD2 3.41Å; A114-F118 PolarHBondContact O-N 2.64Å; F118-F125 AromaticContact CD1-CD2 3.64Å; F118-F125 HydrophobicContact CD1-CD2 3.64Å; F118-F125 AromaticContact CD1-CE2 3.7Å; F118-F125 HydrophobicContact CD1-CE2 3.7Å; F118-F125 AromaticContact CE1-CD2 3.74Å; F118-F125 HydrophobicContact CE1-CD2 3.74Å; F118-F125 AromaticContact CE1-CE2 3.63Å; F118-F125 HydrophobicContact CE1-CE2 3.63Å; F118-S134 PolarHBondContact O-OG 2.84Å; F118-L136 HydrophobicContact CB-CB 4.43Å; F118-V179 HydrophobicContact CB-CB 4.46Å; F118-V179 HydrophobicContact CB-CG2 3.88Å; F118-V179 HydrophobicContact CD1-CG2 3.94Å; F118-V179 HydrophobicContact CD2-CB 4.39Å; F118-V179 HydrophobicContact CD2-CG1 3.7Å; F118-V179 HydrophobicContact CD2-CG2 4.15Å; F118-V179 HydrophobicContact CE2-CG1 4.03Å; F118-V179 HydrophobicContact CG-CB 4.38Å; F118-V179 HydrophobicContact CG-CG1 4.16Å; F118-V179 HydrophobicContact CG-CG2 3.72Å; F118-V220 HydrophobicContact CE2-CG1 4.03Å; F118-V220 HydrophobicContact CZ-CG1 3.82Å; F118-V220 HydrophobicContact CZ-CG2 4.4Å; F118-T274 HydrophobicContact CE2-CG2 3.96Å; F118-T274 HydrophobicContact CZ-CG2 3.86Å; F118-V276 HydrophobicContact CE1-CG2 4.13Å; F118-V276 HydrophobicContact CZ-CG2 4.02Å |
| 119 | S | 96.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -29 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | R72 F115 L136 A155 L157 | R72-S119 WeakPolarHBondContact CD-O 3.5Å; R72-S119 VanDerWaalsContact CG-O 3.26Å; R72-S119 WeakPolarHBondContact CG-O 3.38Å; R72-S119 PolarHBondContact NE-O 3.41Å; F115-S119 WeakPolarHBondContact O-CA 3.43Å; F115-S119 VanDerWaalsContact O-CB 3.24Å; F115-S119 WeakPolarHBondContact O-CB 3.42Å; F115-S119 PolarHBondContact O-N 2.75Å; S119-L136 WeakPolarHBondContact OG-CB 3.23Å; S119-L136 VanDerWaalsContact OG-CD2 3.31Å; S119-L136 WeakPolarHBondContact OG-CD2 3.31Å; S119-A155 VanDerWaalsContact O-O 3.13Å; S119-L157 WeakPolarHBondContact OG-CD2 3.13Å |
| 120 | T | 96.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -104.8 | 172.8 | 179.8 | 80.7 | 0 | 0 | 0 | 0 | 111.6 | R72 W77 F115 A116 S122 | R72-T120 PolarHBondContact NH2-O 3.34Å; W77-T120 HydrophobicContact CB-CG2 3.97Å; W77-T120 HydrophobicContact CD2-CG2 3.83Å; W77-T120 HydrophobicContact CE3-CG2 4.42Å; W77-T120 HydrophobicContact CG-CG2 3.58Å; F115-T120 HydrophobicContact CD1-CG2 4.2Å; F115-T120 HydrophobicContact CE1-CG2 3.69Å; F115-T120 HydrophobicContact CZ-CG2 3.97Å; F115-T120 PolarHBondContact O-N 3.21Å; A116-T120 PolarHBondContact O-OG1 3.4Å; T120-S122 WeakPolarHBondContact OG1-CB 3.26Å; T120-S122 PolarHBondContact OG1-N 2.83Å; T120-S122 VanDerWaalsContact OG1-N 3.15Å; T120-S122 PolarHBondContact OG1-OG 3.14Å |
| 121 | E | 96.2 | Very high | 96.8 | Very high | 43 Ų | 43 | 22.8 Ų | 22.8 | 20% | 0.201 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -92.8 | 1.1 | 167.8 | -57.3 | -65.1 | -166.1 | 0 | 0 | 112.8 | R72 K73 C123 G124 | R72-E121 HydrophobicContact CB-CG 4.19Å; R72-E121 VanDerWaalsContact CZ-CD 3.45Å; R72-E121 IonicContact CZ-OE1 3.96Å; R72-E121 VanDerWaalsContact CZ-OE1 3.23Å; R72-E121 IonicContact CZ-OE2 3.29Å; R72-E121 VanDerWaalsContact NH1-CD 3.27Å; R72-E121 IonicContact NH1-OE1 3.25Å; R72-E121 PolarHBondContact NH1-OE1 3.16Å; R72-E121 IonicContact NH1-OE2 3.8Å; R72-E121 IonicContact NH2-OE1 2.87Å; R72-E121 PolarHBondContact NH2-OE1 3.39Å; R72-E121 IonicContact NH2-OE2 2.86Å; R72-E121 PolarHBondContact NH2-OE2 3.27Å; R72-E121 PolarHBondContact O-N 3.24Å; K73-E121 HydrophobicContact CG-CB 4.05Å; K73-E121 HydrophobicContact CG-CG 3.63Å; E121-C123 VanDerWaalsContact C-N 3.28Å; E121-C123 PolarHBondContact O-N 3.4Å; E121-G124 PolarHBondContact O-N 2.92Å |
| 122 | S | 95.4 | Very high | 97 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.6 | -170.6 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | W77 R81 T120 | W77-S122 WeakPolarHBondContact O-CB 3.11Å; R81-S122 WeakPolarHBondContact CD-O 3.48Å; R81-S122 PolarHBondContact NH1-O 2.89Å; T120-S122 WeakPolarHBondContact OG1-CB 3.26Å; T120-S122 PolarHBondContact OG1-N 2.83Å; T120-S122 VanDerWaalsContact OG1-N 3.15Å; T120-S122 PolarHBondContact OG1-OG 3.14Å |
| 123 | C | 95.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.081 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.4 | -178.2 | -65.1 | 0 | 0 | 0 | 0 | 113.8 | L88 E121 | L88-C123 HydrophobicContact CB-CB 4.37Å; E121-C123 VanDerWaalsContact C-N 3.28Å; E121-C123 PolarHBondContact O-N 3.4Å |
| 124 | G | 95.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | trans | 69.7 | 37.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E121 A126 E127 T128 | E121-G124 PolarHBondContact O-N 2.92Å; G124-A126 PolarHBondContact O-N 2.92Å; G124-E127 WeakPolarHBondContact CA-OE2 3.36Å; G124-E127 PolarHBondContact O-N 3.29Å; G124-T128 WeakPolarHBondContact O-CB 3.39Å; G124-T128 PolarHBondContact O-N 2.99Å; G124-T128 PolarHBondContact O-OG1 2.72Å | ||
| 125 | F | 97.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 179.6 | -177.9 | -83.4 | 0 | 0 | 0 | 112.2 | L88 C117 F118 E127 T128 F129 V132 S134 A177 | L88-F125 HydrophobicContact CD2-CB 4.06Å; L88-F125 HydrophobicContact CD2-CD2 3.93Å; L88-F125 HydrophobicContact CD2-CG 4.44Å; C117-F125 WeakPolarHBondContact O-CB 3.48Å; F118-F125 AromaticContact CD1-CD2 3.64Å; F118-F125 HydrophobicContact CD1-CD2 3.64Å; F118-F125 AromaticContact CD1-CE2 3.7Å; F118-F125 HydrophobicContact CD1-CE2 3.7Å; F118-F125 AromaticContact CE1-CD2 3.74Å; F118-F125 HydrophobicContact CE1-CD2 3.74Å; F118-F125 AromaticContact CE1-CE2 3.63Å; F118-F125 HydrophobicContact CE1-CE2 3.63Å; F125-E127 VanDerWaalsContact C-N 3.26Å; F125-E127 PolarHBondContact O-N 3.16Å; F125-T128 PolarHBondContact O-N 2.62Å; F125-T128 VanDerWaalsContact O-N 3.17Å; F125-F129 HydrophobicContact CD1-CD2 4.43Å; F125-F129 AromaticContact CD2-CD2 3.71Å; F125-F129 HydrophobicContact CD2-CD2 3.71Å; F125-F129 HydrophobicContact CD2-CE2 4.06Å; F125-F129 HydrophobicContact CE1-CB 4.13Å; F125-F129 HydrophobicContact CE1-CD2 4.16Å; F125-F129 AromaticContact CE2-CD2 3.39Å; F125-F129 HydrophobicContact CE2-CD2 3.39Å; F125-F129 AromaticContact CE2-CE2 3.73Å; F125-F129 HydrophobicContact CE2-CE2 3.73Å; F125-F129 HydrophobicContact CE2-CG 4.31Å; F125-F129 HydrophobicContact CG-CD2 4.22Å; F125-F129 HydrophobicContact CZ-CB 4.19Å; F125-F129 AromaticContact CZ-CD2 3.64Å; F125-F129 HydrophobicContact CZ-CD2 3.64Å; F125-F129 HydrophobicContact CZ-CE2 4.35Å; F125-F129 HydrophobicContact CZ-CG 4.14Å; F125-F129 PolarHBondContact O-N 3.29Å; F125-V132 HydrophobicContact CE1-CG1 4.27Å; F125-V132 WeakPolarHBondContact CE1-O 3.34Å; F125-V132 HydrophobicContact CZ-CG1 4.35Å; F125-S134 VanDerWaalsContact CD1-OG 3.31Å; F125-S134 WeakPolarHBondContact CD1-OG 3.31Å; F125-A177 HydrophobicContact CZ-CB 4.41Å |
| 126 | A | 96.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.5 | -33.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G124 F129 P130 | G124-A126 PolarHBondContact O-N 2.92Å; A126-F129 CarbonylContact O-C 3.51Å; A126-P130 WeakPolarHBondContact O-CA 3.32Å |
| 127 | E | 97 | Very high | 97.1 | Very high | 131 Ų | 131 | 26.7 Ų | 26.7 | 61% | 0.612 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -75 | -37.3 | 174.8 | -61.9 | 77.6 | -176 | 0 | 0 | 111.3 | G124 F125 | G124-E127 WeakPolarHBondContact CA-OE2 3.36Å; G124-E127 PolarHBondContact O-N 3.29Å; F125-E127 VanDerWaalsContact C-N 3.26Å; F125-E127 PolarHBondContact O-N 3.16Å |
| 128 | T | 97.9 | Very high | 97 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.4 | -35.2 | -179.1 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | L88 K90 G124 F125 | L88-T128 HydrophobicContact CD2-CG2 4.25Å; K90-T128 HydrophobicContact CB-CG2 3.68Å; K90-T128 HydrophobicContact CD-CG2 3.75Å; K90-T128 WeakPolarHBondContact CD-O 3.45Å; K90-T128 HydrophobicContact CG-CG2 4.28Å; K90-T128 PolarHBondContact NZ-O 3.5Å; G124-T128 WeakPolarHBondContact O-CB 3.39Å; G124-T128 PolarHBondContact O-N 2.99Å; G124-T128 PolarHBondContact O-OG1 2.72Å; F125-T128 PolarHBondContact O-N 2.62Å; F125-T128 VanDerWaalsContact O-N 3.17Å |
| 129 | F | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -126.9 | 74.6 | 178.1 | -57.6 | -78.4 | 0 | 0 | 0 | 111 | L88 K90 A92 L94 F125 A126 G131 V132 V276 | L88-F129 HydrophobicContact CD2-CE2 4.39Å; K90-F129 HydrophobicContact CB-CE1 4.29Å; K90-F129 HydrophobicContact CB-CZ 3.86Å; K90-F129 HydrophobicContact CD-CD1 4.2Å; K90-F129 HydrophobicContact CD-CE1 3.71Å; K90-F129 HydrophobicContact CD-CZ 4.06Å; K90-F129 HydrophobicContact CG-CE1 3.62Å; K90-F129 HydrophobicContact CG-CZ 3.71Å; A92-F129 WeakPolarHBondContact O-CE1 3.28Å; L94-F129 HydrophobicContact CB-CD1 3.82Å; L94-F129 HydrophobicContact CB-CE1 4.37Å; L94-F129 HydrophobicContact CD1-CD1 3.71Å; L94-F129 HydrophobicContact CD1-CE1 3.81Å; L94-F129 HydrophobicContact CD1-CG 4.2Å; L94-F129 HydrophobicContact CD1-CZ 4.38Å; L94-F129 HydrophobicContact CG-CD1 3.58Å; L94-F129 HydrophobicContact CG-CE1 3.65Å; L94-F129 HydrophobicContact CG-CG 4.49Å; F125-F129 HydrophobicContact CD1-CD2 4.43Å; F125-F129 AromaticContact CD2-CD2 3.71Å; F125-F129 HydrophobicContact CD2-CD2 3.71Å; F125-F129 HydrophobicContact CD2-CE2 4.06Å; F125-F129 HydrophobicContact CE1-CB 4.13Å; F125-F129 HydrophobicContact CE1-CD2 4.16Å; F125-F129 AromaticContact CE2-CD2 3.39Å; F125-F129 HydrophobicContact CE2-CD2 3.39Å; F125-F129 AromaticContact CE2-CE2 3.73Å; F125-F129 HydrophobicContact CE2-CE2 3.73Å; F125-F129 HydrophobicContact CE2-CG 4.31Å; F125-F129 HydrophobicContact CG-CD2 4.22Å; F125-F129 HydrophobicContact CZ-CB 4.19Å; F125-F129 AromaticContact CZ-CD2 3.64Å; F125-F129 HydrophobicContact CZ-CD2 3.64Å; F125-F129 HydrophobicContact CZ-CE2 4.35Å; F125-F129 HydrophobicContact CZ-CG 4.14Å; F125-F129 PolarHBondContact O-N 3.29Å; A126-F129 CarbonylContact O-C 3.51Å; F129-G131 PolarHBondContact O-N 3.17Å; F129-V132 HydrophobicContact CB-CB 4.01Å; F129-V132 HydrophobicContact CB-CG2 4.43Å; F129-V132 PolarHBondContact O-N 3.07Å; F129-V276 HydrophobicContact CE1-CG1 4.47Å; F129-V276 HydrophobicContact CE2-CB 4.4Å; F129-V276 HydrophobicContact CE2-CG1 4.4Å; F129-V276 HydrophobicContact CE2-CG2 4.25Å; F129-V276 HydrophobicContact CZ-CB 3.92Å; F129-V276 HydrophobicContact CZ-CG1 3.79Å; F129-V276 HydrophobicContact CZ-CG2 4.27Å |
| 130 | P | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 33.9 Ų | 33.9 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.9 | -176.8 | -25.4 | 35.2 | 0 | 0 | 0 | 112.6 | A126 V132 | A126-P130 WeakPolarHBondContact O-CA 3.32Å; P130-V132 PolarHBondContact O-N 2.84Å |
| 131 | G | 97.1 | Very high | 96.5 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 64% | 0.639 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 0.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | F129 | F129-G131 PolarHBondContact O-N 3.17Š|
| 132 | V | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -103.6 | 128 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | L94 Y100 F125 F129 P130 G175 A177 | L94-V132 HydrophobicContact CB-CG2 4Å; L94-V132 WeakPolarHBondContact O-CG2 3.12Å; Y100-V132 HydrophobicContact CD2-CG1 4.44Å; F125-V132 HydrophobicContact CE1-CG1 4.27Å; F125-V132 WeakPolarHBondContact CE1-O 3.34Å; F125-V132 HydrophobicContact CZ-CG1 4.35Å; F129-V132 HydrophobicContact CB-CB 4.01Å; F129-V132 HydrophobicContact CB-CG2 4.43Å; F129-V132 PolarHBondContact O-N 3.07Å; P130-V132 PolarHBondContact O-N 2.84Å; V132-G175 CarbonylContact C-O 3.45Å; V132-G175 VanDerWaalsContact CA-O 3.3Å; V132-G175 WeakPolarHBondContact CA-O 3.45Å; V132-A177 HydrophobicContact CG1-CB 3.61Å | ||
| 133 | K | 97.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 35.6 Ų | 35.6 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.3 | 179.4 | -176.6 | -177.6 | 174.1 | -172.8 | 0 | 110.4 | R67 G175 A177 | R67-K133 VanDerWaalsContact CD-CE 3.46Å; K133-G175 PolarHBondContact N-O 2.69Å; K133-A177 PolarHBondContact O-N 2.81Å |
| 134 | S | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137 | 170.6 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | R67 F118 F125 A177 | R67-S134 PolarHBondContact NH1-O 3.24Å; R67-S134 PolarHBondContact NH2-O 2.94Å; F118-S134 PolarHBondContact O-OG 2.84Å; F125-S134 VanDerWaalsContact CD1-OG 3.31Å; F125-S134 WeakPolarHBondContact CD1-OG 3.31Å; S134-A177 CarbonylContact C-O 3.46Å; S134-A177 WeakPolarHBondContact CA-O 3.34Å |
| 135 | T | 97.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 113.3 | 171.7 | -53.4 | 0 | 0 | 0 | 0 | 108.6 | G156 C158 L168 A177 V179 | T135-G156 WeakPolarHBondContact CG2-O 3.19Å; T135-C158 HydrophobicContact CG2-CB 3.97Å; T135-L168 HydrophobicContact CG2-CD1 3.94Å; T135-A177 PolarHBondContact N-O 2.89Å; T135-V179 PolarHBondContact O-N 3.13Å |
| 136 | L | 97.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.8 | 178.7 | 179.8 | 65.6 | 0 | 0 | 0 | 110.6 | A114 F118 S119 I138 L157 C158 V179 V181 | A114-L136 HydrophobicContact CB-CD1 4.33Å; A114-L136 HydrophobicContact CB-CD2 4.47Å; F118-L136 HydrophobicContact CB-CB 4.43Å; S119-L136 WeakPolarHBondContact OG-CB 3.23Å; S119-L136 VanDerWaalsContact OG-CD2 3.31Å; S119-L136 WeakPolarHBondContact OG-CD2 3.31Å; L136-I138 HydrophobicContact CD2-CG2 4.32Å; L136-I138 HydrophobicContact CG-CG2 4.08Å; L136-L157 HydrophobicContact CB-CD2 3.85Å; L136-L157 HydrophobicContact CD2-CD2 3.95Å; L136-L157 HydrophobicContact CG-CD2 4.11Å; L136-L157 WeakPolarHBondContact O-CA 3.34Å; L136-C158 PolarHBondContact O-N 2.91Å; L136-V179 HydrophobicContact CD1-CB 3.9Å; L136-V179 HydrophobicContact CD1-CG1 3.82Å; L136-V181 HydrophobicContact CD1-CG2 4.2Å |
| 137 | A | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C158 V160 L165 V178 V179 I180 | A137-C158 CarbonylContact C-O 3.51Å; A137-C158 VanDerWaalsContact CA-O 3.32Å; A137-C158 WeakPolarHBondContact CA-O 3.39Å; A137-V160 HydrophobicContact CB-CB 3.88Å; A137-V160 HydrophobicContact CB-CG2 4.16Å; A137-L165 HydrophobicContact CB-CD1 4.48Å; A137-V178 HydrophobicContact CB-CG1 4.45Å; A137-V179 WeakPolarHBondContact CB-O 3.34Å; A137-V179 PolarHBondContact N-O 3.05Å; A137-I180 HydrophobicContact CB-CG1 4.48Å |
| 138 | I | 95 | Very high | 96.5 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 173.2 | -178.3 | 69.1 | 170.7 | 0 | 0 | 0 | 111.3 | L136 A140 L142 F143 L152 L157 C158 P159 V160 | L136-I138 HydrophobicContact CD2-CG2 4.32Å; L136-I138 HydrophobicContact CG-CG2 4.08Å; I138-A140 PolarHBondContact O-N 3.47Å; I138-A140 VanDerWaalsContact O-N 3.13Å; I138-L142 HydrophobicContact CD1-CD1 3.98Å; I138-F143 HydrophobicContact CD1-CE2 4.17Å; I138-F143 HydrophobicContact CD1-CZ 4.33Å; I138-F143 HydrophobicContact CG1-CE2 3.64Å; I138-F143 HydrophobicContact CG1-CZ 4.03Å; I138-L152 HydrophobicContact CD1-CD1 4.16Å; I138-L152 HydrophobicContact CD1-CD2 3.89Å; I138-L157 HydrophobicContact CD1-CB 4.28Å; I138-L157 HydrophobicContact CD1-CD1 3.97Å; I138-L157 HydrophobicContact CG2-CD2 4.26Å; I138-C158 PolarHBondContact N-O 3.32Å; I138-P159 CarbonylContact O-C 3.47Å; I138-V160 VanDerWaalsContact O-CG1 3.27Å; I138-V160 WeakPolarHBondContact O-CG1 3.41Å; I138-V160 PolarHBondContact O-N 2.76Å |
| 139 | L | 93.7 | Very high | 96.5 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | trans | -44.7 | 117.9 | -176.2 | -179.3 | 63.7 | 0 | 0 | 0 | 113.3 | G141 L142 F253 | L139-G141 PolarHBondContact O-N 2.96Å; L139-L142 HydrophobicContact CB-CD1 4.22Å; L139-L142 HydrophobicContact CB-CG 4.18Å; L139-L142 HydrophobicContact CD2-CG 4.35Å; L139-L142 HydrophobicContact CG-CG 4.44Å; L139-L142 PolarHBondContact O-N 2.56Å; L139-L142 VanDerWaalsContact O-N 3.16Å; L139-F253 HydrophobicContact CD2-CD1 4.35Å; L139-F253 HydrophobicContact CD2-CE1 3.89Å; L139-F253 HydrophobicContact CD2-CZ 4.36Å | ||
| 140 | A | 94.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 26% | 0.256 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -60.9 | -30.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | I138 L142 F143 P159 | I138-A140 PolarHBondContact O-N 3.47Å; I138-A140 VanDerWaalsContact O-N 3.13Å; A140-L142 PolarHBondContact O-N 3.3Å; A140-F143 PolarHBondContact O-N 3.29Å; A140-P159 HydrophobicContact CB-CB 3.81Å |
| 141 | G | 92.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 36 Ų | 36 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -59.7 | -29.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L139 F143 K144 | L139-G141 PolarHBondContact O-N 2.96Å; G141-F143 PolarHBondContact O-N 3.24Å; G141-K144 WeakPolarHBondContact O-CB 3.41Å; G141-K144 PolarHBondContact O-N 3.1Å; G141-K144 VanDerWaalsContact O-N 3.13Å |
| 142 | L | 94.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -65.3 | -26.3 | -179.8 | -58.5 | 178.8 | 0 | 0 | 0 | 112.6 | I138 L139 A140 K144 I145 F148 L152 | I138-L142 HydrophobicContact CD1-CD1 3.98Å; L139-L142 HydrophobicContact CB-CD1 4.22Å; L139-L142 HydrophobicContact CB-CG 4.18Å; L139-L142 HydrophobicContact CD2-CG 4.35Å; L139-L142 HydrophobicContact CG-CG 4.44Å; L139-L142 PolarHBondContact O-N 2.56Å; L139-L142 VanDerWaalsContact O-N 3.16Å; A140-L142 PolarHBondContact O-N 3.3Å; L142-K144 PolarHBondContact O-N 3.06Å; L142-I145 HydrophobicContact CD2-CD1 4.25Å; L142-I145 PolarHBondContact O-N 3.02Å; L142-F148 HydrophobicContact CB-CD1 4.41Å; L142-F148 HydrophobicContact CB-CE1 4.08Å; L142-F148 HydrophobicContact CD1-CE1 4.37Å; L142-F148 HydrophobicContact CD2-CE1 4.15Å; L142-F148 HydrophobicContact CG-CE1 4.42Å; L142-L152 HydrophobicContact CB-CD1 3.6Å |
| 143 | F | 96.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -80.1 | -1.1 | 179 | -66 | -91.5 | 0 | 0 | 0 | 113.9 | P61 I138 A140 G141 R149 L152 M153 L157 C158 P159 | P61-F143 HydrophobicContact CB-CB 3.89Å; P61-F143 HydrophobicContact CB-CD1 3.65Å; P61-F143 HydrophobicContact CB-CE1 4.44Å; P61-F143 HydrophobicContact CB-CG 3.96Å; P61-F143 HydrophobicContact CG-CB 4.03Å; P61-F143 HydrophobicContact CG-CD1 4.17Å; P61-F143 HydrophobicContact CG-CG 4.5Å; I138-F143 HydrophobicContact CD1-CE2 4.17Å; I138-F143 HydrophobicContact CD1-CZ 4.33Å; I138-F143 HydrophobicContact CG1-CE2 3.64Å; I138-F143 HydrophobicContact CG1-CZ 4.03Å; A140-F143 PolarHBondContact O-N 3.29Å; G141-F143 PolarHBondContact O-N 3.24Å; F143-R149 HydrophobicContact CB-CB 4.45Å; F143-R149 VanDerWaalsContact O-CB 3.31Å; F143-R149 WeakPolarHBondContact O-CB 3.04Å; F143-R149 WeakPolarHBondContact O-CD 3.22Å; F143-R149 PolarHBondContact O-NE 3.5Å; F143-R149 VanDerWaalsContact O-NE 3.17Å; F143-L152 HydrophobicContact CD1-CB 4.33Å; F143-L152 HydrophobicContact CD1-CD1 4.47Å; F143-L152 HydrophobicContact CE1-CB 3.72Å; F143-L152 HydrophobicContact CE1-CD1 4.35Å; F143-L152 HydrophobicContact CE2-CD1 4.4Å; F143-L152 HydrophobicContact CZ-CB 4.05Å; F143-L152 HydrophobicContact CZ-CD1 4.3Å; F143-M153 HydrophobicContact CD1-CG 4.09Å; F143-M153 HydrophobicContact CE1-CG 3.97Å; F143-L157 HydrophobicContact CZ-CB 4.03Å; F143-C158 WeakPolarHBondContact CE2-O 3.22Å; F143-P159 HydrophobicContact CB-CG 4.15Å; F143-P159 HydrophobicContact CD1-CG 4.22Å; F143-P159 HydrophobicContact CD2-CB 3.97Å; F143-P159 HydrophobicContact CD2-CG 3.58Å; F143-P159 HydrophobicContact CE2-CB 4.23Å; F143-P159 HydrophobicContact CE2-CG 3.95Å; F143-P159 VanDerWaalsContact CE2-N 3.32Å; F143-P159 HydrophobicContact CG-CG 3.72Å; F143-P159 HydrophobicContact CZ-CG 4.41Å |
| 144 | K | 95.3 | Very high | 96.3 | Very high | 128 Ų | 128 | 29.8 Ų | 29.8 | 56% | 0.557 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -92.8 | -9.4 | 171.1 | -58.4 | -176.7 | 179.6 | -178.7 | 0 | 112.6 | W58 G141 L142 | W58-K144 HydrophobicContact CH2-CB 4.37Å; W58-K144 HydrophobicContact CH2-CD 4.33Å; W58-K144 HydrophobicContact CH2-CG 4.16Å; W58-K144 HydrophobicContact CZ2-CD 4.21Å; W58-K144 HydrophobicContact CZ2-CG 4.19Å; G141-K144 WeakPolarHBondContact O-CB 3.41Å; G141-K144 PolarHBondContact O-N 3.1Å; G141-K144 VanDerWaalsContact O-N 3.13Å; L142-K144 PolarHBondContact O-N 3.06Å |
| 145 | I | 96.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 30 Ų | 30 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -82.9 | 122.8 | -178.3 | -59.2 | 178.1 | 0 | 0 | 0 | 108.9 | G28 I32 L142 F148 R149 | G28-I145 WeakPolarHBondContact O-CG2 3.13Å; I32-I145 HydrophobicContact CD1-CG1 4.42Å; I32-I145 HydrophobicContact CD1-CG2 4.06Å; I32-I145 HydrophobicContact CG1-CG2 3.82Å; L142-I145 HydrophobicContact CD2-CD1 4.25Å; L142-I145 PolarHBondContact O-N 3.02Å; I145-F148 HydrophobicContact CB-CB 4.05Å; I145-F148 HydrophobicContact CB-CD1 4.31Å; I145-F148 HydrophobicContact CD1-CD1 4.18Å; I145-F148 HydrophobicContact CG2-CB 3.71Å; I145-F148 HydrophobicContact CG2-CD1 4.47Å; I145-R149 WeakPolarHBondContact O-CB 3.37Å; I145-R149 WeakPolarHBondContact O-CG 3.06Å; I145-R149 PolarHBondContact O-N 2.98Å |
| 146 | P | 96.8 | Very high | 96 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 146.3 | -179.5 | 28.7 | -37.4 | 0 | 0 | 0 | 111 | C31 M35 Y50 F51 M54 F148 | C31-P146 VanDerWaalsContact CB-O 3.23Å; C31-P146 WeakPolarHBondContact CB-O 3.49Å; M35-P146 HydrophobicContact CB-CG 4.31Å; M35-P146 HydrophobicContact CE-CB 4.11Å; M35-P146 HydrophobicContact CG-CB 4.03Å; M35-P146 HydrophobicContact CG-CG 3.83Å; Y50-P146 HydrophobicContact CD1-CB 4.16Å; Y50-P146 HydrophobicContact CE1-CB 3.37Å; Y50-P146 WeakPolarHBondContact OH-CA 3.41Å; F51-P146 HydrophobicContact CE1-CB 4.06Å; F51-P146 HydrophobicContact CE1-CG 4.15Å; F51-P146 HydrophobicContact CZ-CG 4.34Å; M54-P146 HydrophobicContact SD-CB 4.26Å; P146-F148 PolarHBondContact O-N 2.87Å |
| 147 | L | 97 | Very high | 96 | Very high | 62 Ų | 62 | 30.1 Ų | 30.1 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | -40.7 | -175.2 | -51 | 176.4 | 0 | 0 | 0 | 114.8 | C31 L34 M35 Y50 E150 Y151 | C31-L147 HydrophobicContact CB-CB 4.1Å; L34-L147 HydrophobicContact CD2-CD1 4.12Å; M35-L147 HydrophobicContact CG-CD1 4.11Å; M35-L147 HydrophobicContact CG-CG 4.38Å; M35-L147 HydrophobicContact SD-CD1 3.91Å; M35-L147 HydrophobicContact SD-CG 4.1Å; Y50-L147 HydrophobicContact CD2-CD2 4.21Å; Y50-L147 HydrophobicContact CE2-CD2 3.91Å; Y50-L147 PolarHBondContact OH-N 3.02Å; L147-E150 WeakPolarHBondContact CA-OE2 3.5Å; L147-E150 PolarHBondContact N-OE2 2.62Å; L147-E150 PolarHBondContact O-N 3.24Å; L147-Y151 PolarHBondContact O-N 2.74Å |
| 148 | F | 97.5 | Very high | 96 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -38.4 | 178.9 | -171.9 | -127.2 | 0 | 0 | 0 | 111.7 | L27 L142 I145 P146 E150 Y151 L152 | L27-F148 HydrophobicContact CB-CD2 4.09Å; L27-F148 HydrophobicContact CB-CE2 4.02Å; L27-F148 HydrophobicContact CD2-CD2 3.78Å; L27-F148 HydrophobicContact CD2-CE2 3.93Å; L27-F148 HydrophobicContact CG-CD2 3.78Å; L27-F148 HydrophobicContact CG-CE2 4.13Å; L142-F148 HydrophobicContact CB-CD1 4.41Å; L142-F148 HydrophobicContact CB-CE1 4.08Å; L142-F148 HydrophobicContact CD1-CE1 4.37Å; L142-F148 HydrophobicContact CD2-CE1 4.15Å; L142-F148 HydrophobicContact CG-CE1 4.42Å; I145-F148 HydrophobicContact CB-CB 4.05Å; I145-F148 HydrophobicContact CB-CD1 4.31Å; I145-F148 HydrophobicContact CD1-CD1 4.18Å; I145-F148 HydrophobicContact CG2-CB 3.71Å; I145-F148 HydrophobicContact CG2-CD1 4.47Å; P146-F148 PolarHBondContact O-N 2.87Å; F148-E150 PolarHBondContact O-N 3.05Å; F148-Y151 HydrophobicContact CD2-CD1 4.09Å; F148-Y151 AromaticContact CE2-CD1 3.9Å; F148-Y151 HydrophobicContact CE2-CD1 3.9Å; F148-Y151 HydrophobicContact CE2-CE1 4.45Å; F148-Y151 WeakPolarHBondContact O-CB 3.31Å; F148-Y151 PolarHBondContact O-N 2.64Å; F148-Y151 VanDerWaalsContact O-N 3.13Å; F148-L152 HydrophobicContact CD1-CD1 3.87Å; F148-L152 HydrophobicContact CD1-CG 4.31Å; F148-L152 HydrophobicContact CE1-CD1 3.71Å; F148-L152 HydrophobicContact CE1-CD2 4.19Å; F148-L152 HydrophobicContact CE1-CG 4.12Å; F148-L152 HydrophobicContact CE2-CD2 4.16Å; F148-L152 HydrophobicContact CE2-CG 4.37Å; F148-L152 HydrophobicContact CZ-CD1 4.22Å; F148-L152 HydrophobicContact CZ-CD2 3.83Å; F148-L152 HydrophobicContact CZ-CG 4.16Å; F148-L152 WeakPolarHBondContact O-CG 3.23Å; F148-L152 PolarHBondContact O-N 2.92Å |
| 149 | R | 97 | Very high | 96.1 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -35.6 | 175.8 | 67.9 | -176.2 | -69.4 | -92.4 | 10.7 | 112.5 | D57 P61 F143 I145 L152 M153 | D57-R149 PolarHBondContact O-NH2 2.71Å; D57-R149 IonicContact OD2-CZ 3.1Å; D57-R149 VanDerWaalsContact OD2-CZ 3.29Å; D57-R149 IonicContact OD2-NH1 3.29Å; D57-R149 PolarHBondContact OD2-NH1 3.18Å; D57-R149 IonicContact OD2-NH2 3.74Å; D57-R149 PolarHBondContact OD2-NH2 3.24Å; P61-R149 VanDerWaalsContact CD-NH2 3.27Å; F143-R149 HydrophobicContact CB-CB 4.45Å; F143-R149 VanDerWaalsContact O-CB 3.31Å; F143-R149 WeakPolarHBondContact O-CB 3.04Å; F143-R149 WeakPolarHBondContact O-CD 3.22Å; F143-R149 PolarHBondContact O-NE 3.5Å; F143-R149 VanDerWaalsContact O-NE 3.17Å; I145-R149 WeakPolarHBondContact O-CB 3.37Å; I145-R149 WeakPolarHBondContact O-CG 3.06Å; I145-R149 PolarHBondContact O-N 2.98Å; R149-L152 PolarHBondContact O-N 3.18Å; R149-M153 HydrophobicContact CG-CE 4.34Å; R149-M153 WeakPolarHBondContact O-CB 3.32Å; R149-M153 WeakPolarHBondContact O-CE 3.44Å; R149-M153 VanDerWaalsContact O-CG 3.31Å; R149-M153 WeakPolarHBondContact O-CG 3.32Å; R149-M153 PolarHBondContact O-N 2.71Å |
| 150 | E | 96.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 21% | 0.21 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.6 | -43.5 | 176.6 | -69.1 | 68.1 | -153 | 0 | 0 | 110.7 | Y50 W53 L147 F148 L152 M153 S154 | Y50-E150 PolarHBondContact OH-OE1 3.31Å; Y50-E150 PolarHBondContact OH-OE2 3.38Å; W53-E150 HydrophobicContact CH2-CG 4.41Å; W53-E150 VanDerWaalsContact CZ3-OE1 3.29Å; W53-E150 WeakPolarHBondContact CZ3-OE1 3.42Å; L147-E150 WeakPolarHBondContact CA-OE2 3.5Å; L147-E150 PolarHBondContact N-OE2 2.62Å; L147-E150 PolarHBondContact O-N 3.24Å; F148-E150 PolarHBondContact O-N 3.05Å; E150-L152 PolarHBondContact O-N 2.75Å; E150-M153 PolarHBondContact O-N 2.94Å; E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 2.85Å; E150-S154 PolarHBondContact O-OG 3.49Å |
| 151 | Y | 96.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 27.1 Ų | 27.1 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 174 | 176.2 | -117.4 | 0 | 0 | 0 | 111.2 | Q19 L27 W74 L147 F148 S154 A155 | Q19-Y151 PolarHBondContact NE2-OH 3.19Å; L27-Y151 HydrophobicContact CD2-CD1 3.63Å; L27-Y151 HydrophobicContact CD2-CE1 3.92Å; L27-Y151 HydrophobicContact CD2-CG 4.14Å; W74-Y151 HydrophobicContact CH2-CE2 4.09Å; W74-Y151 AromaticContact CZ3-CE2 3.91Å; W74-Y151 HydrophobicContact CZ3-CE2 3.91Å; L147-Y151 PolarHBondContact O-N 2.74Å; F148-Y151 HydrophobicContact CD2-CD1 4.09Å; F148-Y151 AromaticContact CE2-CD1 3.9Å; F148-Y151 HydrophobicContact CE2-CD1 3.9Å; F148-Y151 HydrophobicContact CE2-CE1 4.45Å; F148-Y151 WeakPolarHBondContact O-CB 3.31Å; F148-Y151 PolarHBondContact O-N 2.64Å; F148-Y151 VanDerWaalsContact O-N 3.13Å; Y151-S154 PolarHBondContact O-N 3.29Å; Y151-S154 PolarHBondContact O-OG 2.95Å; Y151-A155 PolarHBondContact O-N 3.28Å; Y151-A155 VanDerWaalsContact O-N 3.16Å |
| 152 | L | 97.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 178.1 | -63.9 | 175.4 | 0 | 0 | 0 | 112.5 | I138 L142 F143 F148 R149 E150 S154 A155 G156 L157 | I138-L152 HydrophobicContact CD1-CD1 4.16Å; I138-L152 HydrophobicContact CD1-CD2 3.89Å; L142-L152 HydrophobicContact CB-CD1 3.6Å; F143-L152 HydrophobicContact CD1-CB 4.33Å; F143-L152 HydrophobicContact CD1-CD1 4.47Å; F143-L152 HydrophobicContact CE1-CB 3.72Å; F143-L152 HydrophobicContact CE1-CD1 4.35Å; F143-L152 HydrophobicContact CE2-CD1 4.4Å; F143-L152 HydrophobicContact CZ-CB 4.05Å; F143-L152 HydrophobicContact CZ-CD1 4.3Å; F148-L152 HydrophobicContact CD1-CD1 3.87Å; F148-L152 HydrophobicContact CD1-CG 4.31Å; F148-L152 HydrophobicContact CE1-CD1 3.71Å; F148-L152 HydrophobicContact CE1-CD2 4.19Å; F148-L152 HydrophobicContact CE1-CG 4.12Å; F148-L152 HydrophobicContact CE2-CD2 4.16Å; F148-L152 HydrophobicContact CE2-CG 4.37Å; F148-L152 HydrophobicContact CZ-CD1 4.22Å; F148-L152 HydrophobicContact CZ-CD2 3.83Å; F148-L152 HydrophobicContact CZ-CG 4.16Å; F148-L152 WeakPolarHBondContact O-CG 3.23Å; F148-L152 PolarHBondContact O-N 2.92Å; R149-L152 PolarHBondContact O-N 3.18Å; E150-L152 PolarHBondContact O-N 2.75Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.26Å; L152-A155 PolarHBondContact O-N 3.06Å; L152-G156 PolarHBondContact O-N 3.21Å; L152-L157 HydrophobicContact CB-CB 4.42Å; L152-L157 HydrophobicContact CB-CD1 4.25Å; L152-L157 HydrophobicContact CD2-CD1 3.64Å; L152-L157 WeakPolarHBondContact O-CB 3.19Å; L152-L157 PolarHBondContact O-N 3.38Å; L152-L157 VanDerWaalsContact O-N 3.14Å |
| 153 | M | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 177.5 | -77.5 | -170.8 | -70.3 | 0 | 0 | 111.9 | T60 P61 R66 R67 F143 R149 E150 A155 G156 | T60-M153 HydrophobicContact CG2-SD 4.15Å; P61-M153 HydrophobicContact CB-SD 4.13Å; P61-M153 HydrophobicContact CG-CE 4.29Å; P61-M153 HydrophobicContact CG-SD 3.78Å; R66-M153 CarbonylContact C-O 3.58Å; R66-M153 VanDerWaalsContact C-O 3.25Å; R66-M153 HydrophobicContact CB-CB 4.2Å; R66-M153 CarbonylContact O-C 3.38Å; R67-M153 VanDerWaalsContact CA-O 3.27Å; R67-M153 WeakPolarHBondContact CA-O 3.42Å; R67-M153 PolarHBondContact N-O 3.29Å; F143-M153 HydrophobicContact CD1-CG 4.09Å; F143-M153 HydrophobicContact CE1-CG 3.97Å; R149-M153 HydrophobicContact CG-CE 4.34Å; R149-M153 WeakPolarHBondContact O-CB 3.32Å; R149-M153 WeakPolarHBondContact O-CE 3.44Å; R149-M153 VanDerWaalsContact O-CG 3.31Å; R149-M153 WeakPolarHBondContact O-CG 3.32Å; R149-M153 PolarHBondContact O-N 2.71Å; E150-M153 PolarHBondContact O-N 2.94Å; M153-A155 VanDerWaalsContact C-N 3.28Å; M153-A155 PolarHBondContact O-N 3.47Å; M153-G156 WeakPolarHBondContact O-CA 3.13Å; M153-G156 PolarHBondContact O-N 3.26Å |
| 154 | S | 96.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -34 | 179.1 | 77.2 | 0 | 0 | 0 | 0 | 112.6 | R66 T68 E150 Y151 L152 G156 | R66-S154 WeakPolarHBondContact O-CA 3.36Å; T68-S154 PolarHBondContact N-O 2.91Å; T68-S154 PolarHBondContact OG1-O 3.41Å; E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 2.85Å; E150-S154 PolarHBondContact O-OG 3.49Å; Y151-S154 PolarHBondContact O-N 3.29Å; Y151-S154 PolarHBondContact O-OG 2.95Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.26Å; S154-G156 PolarHBondContact O-N 2.95Å |
| 155 | A | 94.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -4.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V71 R72 S119 Y151 L152 M153 L157 | V71-A155 HydrophobicContact CG1-CB 4.29Å; R72-A155 WeakPolarHBondContact CD-O 3.36Å; R72-A155 WeakPolarHBondContact CG-O 3.42Å; S119-A155 VanDerWaalsContact O-O 3.13Å; Y151-A155 PolarHBondContact O-N 3.28Å; Y151-A155 VanDerWaalsContact O-N 3.16Å; L152-A155 PolarHBondContact O-N 3.06Å; M153-A155 VanDerWaalsContact C-N 3.28Å; M153-A155 PolarHBondContact O-N 3.47Å; A155-L157 HydrophobicContact CB-CD1 4.17Å; A155-L157 HydrophobicContact CB-CG 4.24Å |
| 156 | G | 94.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 19.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T135 L152 M153 S154 | T135-G156 WeakPolarHBondContact CG2-O 3.19Å; L152-G156 PolarHBondContact O-N 3.21Å; M153-G156 WeakPolarHBondContact O-CA 3.13Å; M153-G156 PolarHBondContact O-N 3.26Å; S154-G156 PolarHBondContact O-N 2.95Å |
| 157 | L | 97.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | trans | -80.4 | 150.7 | 174.3 | -57.9 | 165.5 | 0 | 0 | 0 | 110 | S119 L136 I138 F143 L152 A155 | S119-L157 WeakPolarHBondContact OG-CD2 3.13Å; L136-L157 HydrophobicContact CB-CD2 3.85Å; L136-L157 HydrophobicContact CD2-CD2 3.95Å; L136-L157 HydrophobicContact CG-CD2 4.11Å; L136-L157 WeakPolarHBondContact O-CA 3.34Å; I138-L157 HydrophobicContact CD1-CB 4.28Å; I138-L157 HydrophobicContact CD1-CD1 3.97Å; I138-L157 HydrophobicContact CG2-CD2 4.26Å; F143-L157 HydrophobicContact CZ-CB 4.03Å; L152-L157 HydrophobicContact CB-CB 4.42Å; L152-L157 HydrophobicContact CB-CD1 4.25Å; L152-L157 HydrophobicContact CD2-CD1 3.64Å; L152-L157 WeakPolarHBondContact O-CB 3.19Å; L152-L157 PolarHBondContact O-N 3.38Å; L152-L157 VanDerWaalsContact O-N 3.14Å; A155-L157 HydrophobicContact CB-CD1 4.17Å; A155-L157 HydrophobicContact CB-CG 4.24Å | ||
| 158 | C | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.034 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 161.8 | 173.2 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | T135 L136 A137 I138 F143 V160 | T135-C158 HydrophobicContact CG2-CB 3.97Å; L136-C158 PolarHBondContact O-N 2.91Å; A137-C158 CarbonylContact C-O 3.51Å; A137-C158 VanDerWaalsContact CA-O 3.32Å; A137-C158 WeakPolarHBondContact CA-O 3.39Å; I138-C158 PolarHBondContact N-O 3.32Å; F143-C158 WeakPolarHBondContact CE2-O 3.22Å; C158-V160 PolarHBondContact O-N 2.78Å |
| 159 | P | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.9 | 171.8 | -18.8 | 30.7 | 0 | 0 | 0 | 111 | P61 E62 I138 A140 F143 S161 S164 | P61-P159 HydrophobicContact CB-CG 3.63Å; P61-P159 WeakPolarHBondContact O-CD 3.49Å; E62-P159 HydrophobicContact CG-CB 4.36Å; E62-P159 HydrophobicContact CG-CG 3.95Å; I138-P159 CarbonylContact O-C 3.47Å; A140-P159 HydrophobicContact CB-CB 3.81Å; F143-P159 HydrophobicContact CB-CG 4.15Å; F143-P159 HydrophobicContact CD1-CG 4.22Å; F143-P159 HydrophobicContact CD2-CB 3.97Å; F143-P159 HydrophobicContact CD2-CG 3.58Å; F143-P159 HydrophobicContact CE2-CB 4.23Å; F143-P159 HydrophobicContact CE2-CG 3.95Å; F143-P159 VanDerWaalsContact CE2-N 3.32Å; F143-P159 HydrophobicContact CG-CG 3.72Å; F143-P159 HydrophobicContact CZ-CG 4.41Å; P159-S161 PolarHBondContact O-N 3.36Å; P159-S164 WeakPolarHBondContact O-CB 3.39Å; P159-S164 PolarHBondContact O-OG 2.83Å |
| 160 | V | 95.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 28.1 Ų | 28.1 | 39% | 0.388 | 16% | 0.157 | S | C | . | . | trans | -73.5 | 77.9 | 166.5 | 68 | 0 | 0 | 0 | 0 | 109.4 | A137 I138 C158 I180 | A137-V160 HydrophobicContact CB-CB 3.88Å; A137-V160 HydrophobicContact CB-CG2 4.16Å; I138-V160 VanDerWaalsContact O-CG1 3.27Å; I138-V160 WeakPolarHBondContact O-CG1 3.41Å; I138-V160 PolarHBondContact O-N 2.76Å; C158-V160 PolarHBondContact O-N 2.78Å; V160-I180 HydrophobicContact CG2-CG2 4.16Å | ||
| 161 | S | 95.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -138.1 | 151.3 | 179.6 | 72.1 | 0 | 0 | 0 | 0 | 110.2 | E62 P159 P163 S164 L165 | E62-S161 WeakPolarHBondContact OE1-CB 3.18Å; E62-S161 PolarHBondContact OE1-OG 2.67Å; P159-S161 PolarHBondContact O-N 3.36Å; S161-P163 VanDerWaalsContact C-N 3.33Å; S161-S164 PolarHBondContact O-N 2.91Å; S161-S164 PolarHBondContact OG-N 3.25Å; S161-S164 PolarHBondContact OG-OG 3.37Å; S161-L165 WeakPolarHBondContact O-CD1 3.47Å; S161-L165 PolarHBondContact O-N 2.7Å; S161-L165 VanDerWaalsContact O-N 3.09Å |
| 162 | K | 94.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 33.5 Ų | 33.5 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -53.7 | -44.7 | 177.1 | -172.3 | 169.4 | -172.3 | 164.9 | 0 | 111.9 | S164 L165 V166 E212 | K162-S164 PolarHBondContact O-N 3.37Å; K162-L165 PolarHBondContact O-N 3.04Å; K162-V166 HydrophobicContact CG-CG2 3.89Å; K162-V166 WeakPolarHBondContact O-CB 3.45Å; K162-V166 WeakPolarHBondContact O-CG2 3.4Å; K162-V166 PolarHBondContact O-N 3.19Å; K162-E212 WeakPolarHBondContact CE-OE2 3.19Å; K162-E212 IonicContact NZ-OE1 3.81Å; K162-E212 PolarHBondContact NZ-OE1 2.94Å; K162-E212 IonicContact NZ-OE2 2.61Å; K162-E212 PolarHBondContact NZ-OE2 3.44Å |
| 163 | P | 96.7 | Very high | 96.1 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.7 | -45.4 | 175.9 | -28 | 36.6 | 0 | 0 | 0 | 114.3 | E62 S161 H167 | E62-P163 HydrophobicContact CB-CB 4.23Å; S161-P163 VanDerWaalsContact C-N 3.33Å; P163-H167 WeakPolarHBondContact O-CB 3.41Å; P163-H167 PolarHBondContact O-N 3.41Å |
| 164 | S | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | E62 P159 S161 K162 H167 L168 | E62-S164 WeakPolarHBondContact CA-OG 3.36Å; E62-S164 WeakPolarHBondContact CG-OG 3.29Å; P159-S164 WeakPolarHBondContact O-CB 3.39Å; P159-S164 PolarHBondContact O-OG 2.83Å; S161-S164 PolarHBondContact O-N 2.91Å; S161-S164 PolarHBondContact OG-N 3.25Å; S161-S164 PolarHBondContact OG-OG 3.37Å; K162-S164 PolarHBondContact O-N 3.37Å; S164-H167 PolarHBondContact O-N 3.36Å; S164-L168 WeakPolarHBondContact O-CG 3.37Å; S164-L168 PolarHBondContact O-N 3.43Å |
| 165 | L | 97.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -48 | 179.6 | -87.8 | 56.8 | 0 | 0 | 0 | 110.4 | A137 S161 K162 H167 L168 L169 V178 I180 T209 | A137-L165 HydrophobicContact CB-CD1 4.48Å; S161-L165 WeakPolarHBondContact O-CD1 3.47Å; S161-L165 PolarHBondContact O-N 2.7Å; S161-L165 VanDerWaalsContact O-N 3.09Å; K162-L165 PolarHBondContact O-N 3.04Å; L165-H167 VanDerWaalsContact C-N 3.32Å; L165-H167 PolarHBondContact O-N 3.12Å; L165-L168 PolarHBondContact O-N 2.94Å; L165-L169 WeakPolarHBondContact O-CB 3.31Å; L165-L169 WeakPolarHBondContact O-CG 3.39Å; L165-L169 PolarHBondContact O-N 2.95Å; L165-V178 HydrophobicContact CD1-CG1 4.09Å; L165-V178 HydrophobicContact CG-CG1 4.11Å; L165-I180 HydrophobicContact CD2-CD1 3.68Å; L165-I180 HydrophobicContact CG-CD1 4.4Å; L165-T209 HydrophobicContact CB-CG2 4.09Å; L165-T209 HydrophobicContact CD2-CG2 4.11Å |
| 166 | V | 95.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | K162 L168 L169 S170 H213 | K162-V166 HydrophobicContact CG-CG2 3.89Å; K162-V166 WeakPolarHBondContact O-CB 3.45Å; K162-V166 WeakPolarHBondContact O-CG2 3.4Å; K162-V166 PolarHBondContact O-N 3.19Å; V166-L168 PolarHBondContact O-N 3.48Å; V166-L169 PolarHBondContact O-N 3.49Å; V166-S170 WeakPolarHBondContact O-CB 3.5Å; V166-S170 PolarHBondContact O-N 3.13Å; V166-S170 PolarHBondContact O-OG 3.33Å; V166-H213 WeakPolarHBondContact CG2-NE2 3.26Å |
| 167 | H | 97.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 19% | 0.185 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -60.2 | -46.4 | 179.6 | -176.9 | 95 | 0 | 0 | 0 | 112 | E62 R63 P163 S164 L165 K171 S172 | E62-H167 WeakPolarHBondContact O-CB 3.4Å; R63-H167 VanDerWaalsContact C-NE2 3.29Å; R63-H167 PolarHBondContact O-NE2 3.28Å; P163-H167 WeakPolarHBondContact O-CB 3.41Å; P163-H167 PolarHBondContact O-N 3.41Å; S164-H167 PolarHBondContact O-N 3.36Å; L165-H167 VanDerWaalsContact C-N 3.32Å; L165-H167 PolarHBondContact O-N 3.12Å; H167-K171 WeakPolarHBondContact O-CA 3.46Å; H167-K171 WeakPolarHBondContact O-CB 3.35Å; H167-K171 PolarHBondContact O-N 3.42Å; H167-S172 PolarHBondContact CD2-OG 3.49Å; H167-S172 PolarHBondContact O-N 2.65Å; H167-S172 PolarHBondContact O-OG 2.77Å |
| 168 | L | 97.3 | Very high | 96.5 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -66.9 | -39.2 | 179.2 | -69.2 | 170.4 | 0 | 0 | 0 | 112.3 | T135 S164 L165 V166 N176 V178 | T135-L168 HydrophobicContact CG2-CD1 3.94Å; S164-L168 WeakPolarHBondContact O-CG 3.37Å; S164-L168 PolarHBondContact O-N 3.43Å; L165-L168 PolarHBondContact O-N 2.94Å; V166-L168 PolarHBondContact O-N 3.48Å; L168-N176 PolarHBondContact O-ND2 3.01Å; L168-V178 HydrophobicContact CB-CG2 3.74Å; L168-V178 HydrophobicContact CD1-CG1 4.32Å; L168-V178 HydrophobicContact CD1-CG2 3.84Å; L168-V178 HydrophobicContact CG-CG2 4.44Å |
| 169 | L | 97.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -83.8 | -21 | -175.1 | -62.8 | 173.9 | 0 | 0 | 0 | 113.8 | N99 I101 L165 V166 V178 T209 H213 A215 | N99-L169 HydrophobicContact CB-CD2 3.84Å; N99-L169 PolarHBondContact ND2-O 3.21Å; I101-L169 HydrophobicContact CD1-CD1 3.8Å; I101-L169 HydrophobicContact CG1-CD1 4Å; I101-L169 HydrophobicContact CG1-CD2 4.39Å; L165-L169 WeakPolarHBondContact O-CB 3.31Å; L165-L169 WeakPolarHBondContact O-CG 3.39Å; L165-L169 PolarHBondContact O-N 2.95Å; V166-L169 PolarHBondContact O-N 3.49Å; L169-V178 HydrophobicContact CD2-CG2 3.92Å; L169-V178 HydrophobicContact CG-CG2 4.23Å; L169-T209 HydrophobicContact CD1-CG2 3.99Å; L169-H213 HydrophobicContact CB-CB 3.89Å; L169-H213 HydrophobicContact CD1-CB 4.21Å; L169-A215 HydrophobicContact CD1-CB 4.25Å; L169-A215 HydrophobicContact CD2-CB 3.74Å |
| 170 | S | 94.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -120.7 | -30 | -175.3 | 69.8 | 0 | 0 | 0 | 0 | 115.6 | V166 | V166-S170 WeakPolarHBondContact O-CB 3.5Å; V166-S170 PolarHBondContact O-N 3.13Å; V166-S170 PolarHBondContact O-OG 3.33Å |
| 171 | K | 94.9 | Very high | 96.7 | Very high | 159 Ų | 159 | 38.2 Ų | 38.2 | 69% | 0.691 | 21% | 0.211 | S | C | * | . | I | π-helix | trans | -109.5 | -13.2 | -173.9 | -60 | -169.9 | 176.6 | -173.9 | 0 | 114 | H167 | H167-K171 WeakPolarHBondContact O-CA 3.46Å; H167-K171 WeakPolarHBondContact O-CB 3.35Å; H167-K171 PolarHBondContact O-N 3.42Å |
| 172 | S | 93.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -99.3 | 19.9 | -176.4 | -55.3 | 0 | 0 | 0 | 0 | 113.8 | H167 N176 | H167-S172 PolarHBondContact CD2-OG 3.49Å; H167-S172 PolarHBondContact O-N 2.65Å; H167-S172 PolarHBondContact O-OG 2.77Å; S172-N176 PolarHBondContact O-ND2 2.65Å |
| 173 | G | 94.9 | Very high | 96.5 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 49% | 0.485 | 19% | 0.185 | S | C | . | . | trans | 73.1 | -154.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N99 N176 | N99-G173 PolarHBondContact ND2-O 2.89Å; N99-G173 PolarHBondContact OD1-O 2.68Å; G173-N176 PolarHBondContact O-ND2 3.46Å; G173-N176 VanDerWaalsContact O-ND2 3.07Å | ||
| 174 | K | 96.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 30.3 Ų | 30.3 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -101.1 | 168 | 176.8 | -62.5 | -59.8 | -170.8 | 175.7 | 0 | 111.1 | P96 N97 N99 | P96-K174 CarbonylContact O-C 3.55Å; P96-K174 WeakPolarHBondContact O-CB 3.44Å; N97-K174 WeakPolarHBondContact O-CD 3.35Å; N97-K174 WeakPolarHBondContact O-CG 3.41Å; N99-K174 VanDerWaalsContact OD1-CA 3.29Å; N99-K174 WeakPolarHBondContact OD1-CA 3.29Å |
| 175 | G | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | 80.9 | 21.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | P96 K98 N99 V132 K133 | P96-G175 VanDerWaalsContact O-CA 3.25Å; P96-G175 WeakPolarHBondContact O-CA 3.4Å; P96-G175 PolarHBondContact O-N 3.22Å; K98-G175 VanDerWaalsContact O-CA 3.3Å; K98-G175 WeakPolarHBondContact O-CA 3.31Å; K98-G175 PolarHBondContact O-N 3.38Å; N99-G175 PolarHBondContact OD1-N 2.83Å; N99-G175 VanDerWaalsContact OD1-N 3.15Å; V132-G175 CarbonylContact C-O 3.45Å; V132-G175 VanDerWaalsContact CA-O 3.3Å; V132-G175 WeakPolarHBondContact CA-O 3.45Å; K133-G175 PolarHBondContact N-O 2.69Å | ||
| 176 | N | 98.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.4 | 178.1 | -64.2 | -77.6 | 0 | 0 | 0 | 110.4 | N99 Y100 L168 S172 G173 | N99-N176 CarbonylContact C-O 3.57Å; N99-N176 WeakPolarHBondContact CA-O 3.42Å; N99-N176 WeakPolarHBondContact OD1-CB 3.31Å; N99-N176 PolarHBondContact OD1-N 3.15Å; N99-N176 PolarHBondContact OD1-ND2 2.75Å; Y100-N176 PolarHBondContact N-O 2.84Å; L168-N176 PolarHBondContact O-ND2 3.01Å; S172-N176 PolarHBondContact O-ND2 2.65Å; G173-N176 PolarHBondContact O-ND2 3.46Å; G173-N176 VanDerWaalsContact O-ND2 3.07Å |
| 177 | A | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 100.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L102 F125 V132 K133 S134 T135 | L102-A177 HydrophobicContact CD1-CB 3.84Å; L102-A177 HydrophobicContact CD2-CB 4.41Å; F125-A177 HydrophobicContact CZ-CB 4.41Å; V132-A177 HydrophobicContact CG1-CB 3.61Å; K133-A177 PolarHBondContact O-N 2.81Å; S134-A177 CarbonylContact C-O 3.46Å; S134-A177 WeakPolarHBondContact CA-O 3.34Å; T135-A177 PolarHBondContact N-O 2.89Å |
| 178 | V | 98.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.8 | 177.4 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | Y100 I101 L102 A137 L165 L168 L169 I180 | Y100-V178 PolarHBondContact O-N 2.93Å; I101-V178 CarbonylContact C-O 3.59Å; I101-V178 WeakPolarHBondContact CA-O 3.42Å; L102-V178 PolarHBondContact N-O 3.27Å; A137-V178 HydrophobicContact CB-CG1 4.45Å; L165-V178 HydrophobicContact CD1-CG1 4.09Å; L165-V178 HydrophobicContact CG-CG1 4.11Å; L168-V178 HydrophobicContact CB-CG2 3.74Å; L168-V178 HydrophobicContact CD1-CG1 4.32Å; L168-V178 HydrophobicContact CD1-CG2 3.84Å; L168-V178 HydrophobicContact CG-CG2 4.44Å; L169-V178 HydrophobicContact CD2-CG2 3.92Å; L169-V178 HydrophobicContact CG-CG2 4.23Å; V178-I180 HydrophobicContact CG1-CG1 4.38Å |
| 179 | V | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.1 | -178 | -169 | 0 | 0 | 0 | 0 | 109.3 | L102 F118 T135 L136 A137 | L102-V179 HydrophobicContact CB-CB 4.35Å; L102-V179 HydrophobicContact CB-CG1 4.21Å; L102-V179 HydrophobicContact CB-CG2 4.04Å; L102-V179 HydrophobicContact CD2-CG2 4.08Å; L102-V179 CarbonylContact O-C 3.55Å; L102-V179 WeakPolarHBondContact O-CA 3.49Å; F118-V179 HydrophobicContact CB-CB 4.46Å; F118-V179 HydrophobicContact CB-CG2 3.88Å; F118-V179 HydrophobicContact CD1-CG2 3.94Å; F118-V179 HydrophobicContact CD2-CB 4.39Å; F118-V179 HydrophobicContact CD2-CG1 3.7Å; F118-V179 HydrophobicContact CD2-CG2 4.15Å; F118-V179 HydrophobicContact CE2-CG1 4.03Å; F118-V179 HydrophobicContact CG-CB 4.38Å; F118-V179 HydrophobicContact CG-CG1 4.16Å; F118-V179 HydrophobicContact CG-CG2 3.72Å; T135-V179 PolarHBondContact O-N 3.13Å; L136-V179 HydrophobicContact CD1-CB 3.9Å; L136-V179 HydrophobicContact CD1-CG1 3.82Å; A137-V179 WeakPolarHBondContact CB-O 3.34Å; A137-V179 PolarHBondContact N-O 3.05Å |
| 180 | I | 98.3 | Very high | 93.4 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.3 | -178.9 | -55.3 | 173.7 | 0 | 0 | 0 | 108.2 | I101 L102 G103 S104 A137 V160 L165 V178 V182 F206 | I101-I180 HydrophobicContact CG2-CD1 3.68Å; I101-I180 HydrophobicContact CG2-CG1 4.31Å; L102-I180 PolarHBondContact O-N 3.46Å; G103-I180 CarbonylContact C-O 3.59Å; G103-I180 WeakPolarHBondContact CA-O 3.32Å; S104-I180 PolarHBondContact N-O 3.44Å; A137-I180 HydrophobicContact CB-CG1 4.48Å; V160-I180 HydrophobicContact CG2-CG2 4.16Å; L165-I180 HydrophobicContact CD2-CD1 3.68Å; L165-I180 HydrophobicContact CG-CD1 4.4Å; V178-I180 HydrophobicContact CG1-CG1 4.38Å; I180-V182 HydrophobicContact CG2-CG2 4.48Å; I180-V182 PolarHBondContact O-N 3.48Å; I180-F206 HydrophobicContact CD1-CB 3.98Å |
| 181 | V | 97.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 30 Ų | 30 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 95 | 168.6 | -168.1 | 0 | 0 | 0 | 0 | 108.1 | S104 H107 C111 L136 G183 G184 | S104-V181 WeakPolarHBondContact O-CA 3.33Å; H107-V181 HydrophobicContact CB-CG1 3.51Å; H107-V181 WeakPolarHBondContact CD2-CG1 3.42Å; C111-V181 HydrophobicContact CB-CG2 4.46Å; L136-V181 HydrophobicContact CD1-CG2 4.2Å; V181-G183 PolarHBondContact O-N 3.26Å; V181-G184 PolarHBondContact O-N 2.86Å |
| 182 | V | 96.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 24 Ų | 24 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -40.7 | -161.1 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | I180 G184 M200 R203 F206 | I180-V182 HydrophobicContact CG2-CG2 4.48Å; I180-V182 PolarHBondContact O-N 3.48Å; V182-G184 VanDerWaalsContact C-N 3.32Å; V182-G184 PolarHBondContact O-N 3.36Å; V182-M200 HydrophobicContact CG1-CG 4.22Å; V182-R203 HydrophobicContact CG1-CB 3.64Å; V182-R203 HydrophobicContact CG1-CG 4.21Å; V182-F206 HydrophobicContact CG1-CD1 3.97Å; V182-F206 HydrophobicContact CG1-CE1 3.8Å; V182-F206 HydrophobicContact CG2-CD1 4.21Å; V182-F206 HydrophobicContact CG2-CE1 4.22Å; V182-F206 HydrophobicContact CG2-CG 4.49Å |
| 183 | G | 90.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -23.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V181 A186 E187 V199 | V181-G183 PolarHBondContact O-N 3.26Å; G183-A186 PolarHBondContact O-N 3.41Å; G183-E187 PolarHBondContact O-N 3.16Å; G183-V199 WeakPolarHBondContact CA-O 3.32Å |
| 184 | G | 90.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 24 Ų | 24 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | 54.4 | -147.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H107 V181 V182 A186 E187 S188 | H107-G184 PolarHBondContact CD2-O 2.94Å; V181-G184 PolarHBondContact O-N 2.86Å; V182-G184 VanDerWaalsContact C-N 3.32Å; V182-G184 PolarHBondContact O-N 3.36Å; G184-A186 PolarHBondContact O-N 2.98Å; G184-E187 PolarHBondContact O-N 2.78Å; G184-E187 VanDerWaalsContact O-N 3.11Å; G184-S188 PolarHBondContact O-N 3.17Å; G184-S188 VanDerWaalsContact O-N 3.15Å |
| 185 | A | 86.5 | Confident | 91.9 | Very high | 40 Ų | 40 | 20.7 Ų | 20.7 | 33% | 0.331 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.3 | -30 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E187 S188 L189 F253 | A185-E187 VanDerWaalsContact C-N 3.33Å; A185-S188 PolarHBondContact O-N 3.37Å; A185-L189 WeakPolarHBondContact O-CG 3.28Å; A185-L189 PolarHBondContact O-N 2.88Å; A185-F253 HydrophobicContact CB-CB 3.94Å |
| 186 | A | 87.3 | Confident | 91.7 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 33% | 0.331 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.1 | -37 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G183 G184 L189 A190 V199 | G183-A186 PolarHBondContact O-N 3.41Å; G184-A186 PolarHBondContact O-N 2.98Å; A186-L189 PolarHBondContact O-N 2.75Å; A186-A190 PolarHBondContact O-N 2.93Å; A186-V199 HydrophobicContact CB-CG1 4.23Å |
| 187 | E | 90.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.1 | -36.6 | 176.3 | -171.8 | 170.6 | 81 | 0 | 0 | 112 | P106 H107 G183 G184 A185 L189 A190 S191 V198 V199 | P106-E187 WeakPolarHBondContact CA-OE1 3.43Å; H107-E187 HydrophobicContact CB-CB 4.07Å; H107-E187 HydrophobicContact CB-CG 4.1Å; H107-E187 WeakPolarHBondContact CB-OE1 3.04Å; H107-E187 PolarHBondContact N-OE1 3.17Å; G183-E187 PolarHBondContact O-N 3.16Å; G184-E187 PolarHBondContact O-N 2.78Å; G184-E187 VanDerWaalsContact O-N 3.11Å; A185-E187 VanDerWaalsContact C-N 3.33Å; E187-L189 VanDerWaalsContact C-N 3.26Å; E187-L189 PolarHBondContact O-N 3.14Å; E187-A190 CarbonylContact O-C 3.41Å; E187-A190 PolarHBondContact O-N 2.86Å; E187-S191 PolarHBondContact O-N 3.04Å; E187-S191 VanDerWaalsContact O-N 3.08Å; E187-V198 VanDerWaalsContact OE2-C 3.29Å; E187-V198 WeakPolarHBondContact OE2-CA 3.5Å; E187-V198 VanDerWaalsContact OE2-CB 3.32Å; E187-V198 WeakPolarHBondContact OE2-CB 3.27Å; E187-V199 HydrophobicContact CB-CB 3.98Å; E187-V199 HydrophobicContact CB-CG2 3.76Å; E187-V199 HydrophobicContact CG-CG2 4.25Å; E187-V199 PolarHBondContact OE2-N 2.94Å |
| 188 | S | 87.6 | Confident | 91.4 | Very high | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -41.3 | 170.4 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | G108 G184 A185 A190 S191 C256 | G108-S188 VanDerWaalsContact O-CA 3.22Å; G108-S188 WeakPolarHBondContact O-CA 3.25Å; G108-S188 VanDerWaalsContact O-CB 3.26Å; G108-S188 WeakPolarHBondContact O-CB 3.26Å; G108-S188 PolarHBondContact O-OG 3.28Å; G184-S188 PolarHBondContact O-N 3.17Å; G184-S188 VanDerWaalsContact O-N 3.15Å; A185-S188 PolarHBondContact O-N 3.37Å; S188-A190 PolarHBondContact O-N 3.08Å; S188-S191 VanDerWaalsContact O-CB 3.26Å; S188-S191 WeakPolarHBondContact O-CB 3.33Å; S188-S191 PolarHBondContact O-N 2.76Å; S188-C256 PolarHBondContact OG-SG 3.13Å |
| 189 | L | 86.1 | Confident | 91.2 | Very high | 46 Ų | 46 | 25.8 Ų | 25.8 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.1 | 177.8 | -70.2 | 167 | 0 | 0 | 0 | 114.3 | A185 A186 E187 Q231 A254 C256 | A185-L189 WeakPolarHBondContact O-CG 3.28Å; A185-L189 PolarHBondContact O-N 2.88Å; A186-L189 PolarHBondContact O-N 2.75Å; E187-L189 VanDerWaalsContact C-N 3.26Å; E187-L189 PolarHBondContact O-N 3.14Å; L189-Q231 VanDerWaalsContact CA-NE2 3.32Å; L189-Q231 PolarHBondContact O-NE2 2.92Å; L189-Q231 PolarHBondContact O-OE1 2.92Å; L189-Q231 VanDerWaalsContact O-OE1 3.1Å; L189-A254 HydrophobicContact CD1-CB 3.49Å; L189-A254 VanDerWaalsContact CD1-CB 3.49Å; L189-A254 HydrophobicContact CD2-CB 4.27Å; L189-C256 HydrophobicContact CD2-CB 4.09Å |
| 190 | A | 85.2 | Confident | 90.9 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 22% | 0.223 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 5.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A186 E187 S188 | A186-A190 PolarHBondContact O-N 2.93Å; E187-A190 CarbonylContact O-C 3.41Å; E187-A190 PolarHBondContact O-N 2.86Å; S188-A190 PolarHBondContact O-N 3.08Å |
| 191 | S | 87.3 | Confident | 90.7 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | trans | -79.1 | 123.7 | -176.3 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | E187 S188 N226 Q231 | E187-S191 PolarHBondContact O-N 3.04Å; E187-S191 VanDerWaalsContact O-N 3.08Å; S188-S191 VanDerWaalsContact O-CB 3.26Å; S188-S191 WeakPolarHBondContact O-CB 3.33Å; S188-S191 PolarHBondContact O-N 2.76Å; S191-N226 PolarHBondContact OG-OD1 3.01Å; S191-Q231 WeakPolarHBondContact O-CB 3.32Å; S191-Q231 PolarHBondContact O-OE1 3.33Å | ||
| 192 | S | 87.6 | Confident | 90.6 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | trans | -140.8 | 142.7 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | I195 | S192-I195 PolarHBondContact O-N 3.24Š| ||
| 193 | P | 90.3 | Very high | 90.5 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 141.7 | 169.2 | -26.8 | 35.4 | 0 | 0 | 0 | 111.6 | I195 E227 | P193-I195 PolarHBondContact O-N 3.17Å; P193-E227 WeakPolarHBondContact CA-OE1 3.26Å |
| 194 | G | 88.2 | Confident | 90.8 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -11.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E227 | G194-E227 PolarHBondContact N-OE1 3.41Š|
| 195 | I | 89.6 | Confident | 91.2 | Very high | 61 Ų | 61 | 45 Ų | 45 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | trans | -105.8 | 123.8 | -175.9 | -63.6 | 174.4 | 0 | 0 | 0 | 109.8 | S192 P193 R197 N226 | S192-I195 PolarHBondContact O-N 3.24Å; P193-I195 PolarHBondContact O-N 3.17Å; I195-R197 HydrophobicContact CG2-CB 3.83Å; I195-R197 PolarHBondContact O-N 3.4Å; I195-N226 PolarHBondContact O-ND2 2.87Å | ||
| 196 | N | 93.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -101.2 | 78.2 | 177.6 | -63 | -74.4 | 0 | 0 | 0 | 109.4 | Y221 F308 H321 L323 E324 | N196-Y221 WeakPolarHBondContact CB-OH 3.3Å; N196-Y221 PolarHBondContact OD1-OH 3.41Å; N196-F308 HydrophobicContact CB-CE2 3.85Å; N196-F308 HydrophobicContact CB-CZ 3.9Å; N196-H321 PolarHBondContact ND2-CD2 2.93Å; N196-L323 HydrophobicContact CB-CD1 4.48Å; N196-E324 PolarHBondContact O-N 3.31Å | ||
| 197 | R | 93.6 | Very high | 92.2 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.5 | -177.3 | -175.9 | 177.7 | -68.5 | 172.5 | 1.9 | 111.1 | I195 E324 I326 | I195-R197 HydrophobicContact CG2-CB 3.83Å; I195-R197 PolarHBondContact O-N 3.4Å; R197-E324 CarbonylContact C-O 3.59Å; R197-E324 WeakPolarHBondContact CA-O 3.23Å; R197-E324 HydrophobicContact CB-CB 4.27Å; R197-E324 HydrophobicContact CG-CB 4.2Å; R197-E324 IonicContact CZ-OE2 3.43Å; R197-E324 VanDerWaalsContact CZ-OE2 3.25Å; R197-E324 IonicContact NE-OE2 3.98Å; R197-E324 PolarHBondContact NE-OE2 3.49Å; R197-E324 IonicContact NH2-OE2 3.43Å; R197-E324 PolarHBondContact NH2-OE2 3.23Å; R197-I326 HydrophobicContact CG-CD1 3.89Å; R197-I326 HydrophobicContact CG-CG1 3.74Å; R197-I326 HydrophobicContact CG-CG2 4.26Å |
| 198 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.9 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111 | H105 P106 E187 M200 Y221 L304 L323 E324 I325 I326 | H105-V198 HydrophobicContact CB-CG1 3.83Å; P106-V198 HydrophobicContact CB-CG1 4.23Å; E187-V198 VanDerWaalsContact OE2-C 3.29Å; E187-V198 WeakPolarHBondContact OE2-CA 3.5Å; E187-V198 VanDerWaalsContact OE2-CB 3.32Å; E187-V198 WeakPolarHBondContact OE2-CB 3.27Å; V198-M200 HydrophobicContact CG2-CE 4.44Å; V198-Y221 HydrophobicContact CG1-CE2 4.24Å; V198-L304 HydrophobicContact CG2-CD2 4.32Å; V198-L323 HydrophobicContact CG1-CD1 3.88Å; V198-L323 HydrophobicContact CG2-CD1 4.05Å; V198-L323 HydrophobicContact CG2-CG 4.36Å; V198-E324 PolarHBondContact N-O 3.43Å; V198-I325 HydrophobicContact CG2-CB 4.29Å; V198-I325 HydrophobicContact CG2-CG1 3.7Å; V198-I326 WeakPolarHBondContact O-CG1 3.14Å; V198-I326 PolarHBondContact O-N 2.95Å |
| 199 | V | 94.5 | Very high | 93.1 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | trans | -94.1 | 95.6 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | G183 A186 E187 I326 | G183-V199 WeakPolarHBondContact CA-O 3.32Å; A186-V199 HydrophobicContact CB-CG1 4.23Å; E187-V199 HydrophobicContact CB-CB 3.98Å; E187-V199 HydrophobicContact CB-CG2 3.76Å; E187-V199 HydrophobicContact CG-CG2 4.25Å; E187-V199 PolarHBondContact OE2-N 2.94Å; V199-I326 CarbonylContact C-O 3.5Å; V199-I326 VanDerWaalsContact CA-O 3.31Å; V199-I326 WeakPolarHBondContact CA-O 3.38Å; V199-I326 HydrophobicContact CB-CG1 4.48Å; V199-I326 HydrophobicContact CG2-CD1 3.74Å; V199-I326 HydrophobicContact CG2-CG1 3.85Å | ||
| 200 | M | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -143.3 | -18.6 | -173.5 | -179.4 | 177.3 | 53.6 | 0 | 0 | 113.9 | H105 V182 V198 Q202 R203 H297 Y300 M301 L304 I325 I326 | H105-M200 VanDerWaalsContact CE1-SD 3.57Å; V182-M200 HydrophobicContact CG1-CG 4.22Å; V198-M200 HydrophobicContact CG2-CE 4.44Å; M200-Q202 PolarHBondContact O-N 3.2Å; M200-R203 PolarHBondContact O-N 2.97Å; M200-H297 PolarHBondContact O-CE1 2.81Å; M200-H297 PolarHBondContact O-NE2 2.86Å; M200-Y300 HydrophobicContact CE-CD1 4.42Å; M200-Y300 HydrophobicContact CE-CE1 4.38Å; M200-Y300 HydrophobicContact SD-CD1 3.52Å; M200-Y300 VanDerWaalsContact SD-CD1 3.52Å; M200-Y300 HydrophobicContact SD-CE1 3.31Å; M200-Y300 WeakPolarHBondContact SD-CE1 3.4Å; M200-M301 HydrophobicContact CE-CB 4.2Å; M200-M301 HydrophobicContact CE-CG 3.57Å; M200-M301 HydrophobicContact CE-SD 4.36Å; M200-M301 HydrophobicContact SD-CG 4.26Å; M200-L304 HydrophobicContact CE-CD2 3.45Å; M200-L304 VanDerWaalsContact CE-CD2 3.45Å; M200-L304 HydrophobicContact SD-CD2 4.1Å; M200-I325 HydrophobicContact CB-CG2 4.25Å; M200-I325 HydrophobicContact CE-CD1 3.75Å; M200-I325 HydrophobicContact CE-CG1 4.13Å; M200-I325 HydrophobicContact CE-CG2 4.05Å; M200-I326 PolarHBondContact N-O 3.16Å | ||
| 201 | K | 93.7 | Very high | 94.3 | Very high | 116 Ų | 116 | 41.6 Ų | 41.6 | 50% | 0.504 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36.4 | -170 | -169.1 | 174 | -178.1 | 175.8 | 0 | 113.4 | H297 I325 I326 | K201-H297 PolarHBondContact O-CE1 3.47Å; K201-H297 VanDerWaalsContact O-CE1 3.31Å; K201-I325 HydrophobicContact CB-CG2 4.28Å; K201-I326 VanDerWaalsContact CB-C 3.47Å; K201-I326 WeakPolarHBondContact CB-O 3.43Å; K201-I326 WeakPolarHBondContact CB-OXT 3.4Å; K201-I326 PolarHBondContact N-O 3Å |
| 202 | Q | 94.1 | Very high | 94.9 | Very high | 143 Ų | 143 | 42.9 Ų | 42.9 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 3.2 | 179.5 | -57.1 | -58.6 | -27 | 0 | 0 | 113.6 | M200 K204 | M200-Q202 PolarHBondContact O-N 3.2Å; Q202-K204 PolarHBondContact O-N 3.4Å |
| 203 | R | 95.6 | Very high | 95.4 | Very high | 118 Ų | 118 | 43 Ų | 43 | 45% | 0.445 | 22% | 0.219 | S | C | . | . | trans | -92.8 | 75.6 | -173.6 | -61.2 | -64.9 | -172 | 178.7 | 0.8 | 110.9 | V182 M200 F206 | V182-R203 HydrophobicContact CG1-CB 3.64Å; V182-R203 HydrophobicContact CG1-CG 4.21Å; M200-R203 PolarHBondContact O-N 2.97Å; R203-F206 VanDerWaalsContact O-CD1 3.22Å; R203-F206 WeakPolarHBondContact O-CD1 3.38Å; R203-F206 WeakPolarHBondContact O-CE1 3.31Å | ||
| 204 | K | 97.4 | Very high | 95.7 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 21% | 0.213 | 21% | 0.214 | C | C | . | . | trans | -95.3 | -8.3 | -174.3 | -61.5 | 178.3 | 178.2 | 176.4 | 0 | 115.3 | Q202 F206 V207 R208 V293 D294 H297 | Q202-K204 PolarHBondContact O-N 3.4Å; K204-F206 VanDerWaalsContact C-N 3.3Å; K204-F206 PolarHBondContact O-N 2.97Å; K204-V207 WeakPolarHBondContact O-CB 3.34Å; K204-V207 PolarHBondContact O-N 3.28Å; K204-V207 VanDerWaalsContact O-N 3.12Å; K204-R208 PolarHBondContact O-N 2.92Å; K204-V293 HydrophobicContact CB-CG1 3.78Å; K204-V293 HydrophobicContact CD-CG1 4.34Å; K204-V293 HydrophobicContact CG-CG1 4.45Å; K204-D294 VanDerWaalsContact CD-OD1 3.23Å; K204-D294 WeakPolarHBondContact CD-OD1 3.24Å; K204-D294 WeakPolarHBondContact CE-OD1 3.45Å; K204-D294 IonicContact NZ-OD1 2.76Å; K204-D294 PolarHBondContact NZ-OD1 3.17Å; K204-D294 IonicContact NZ-OD2 3.54Å; K204-D294 PolarHBondContact NZ-OD2 2.64Å; K204-H297 HydrophobicContact CG-CB 4.43Å | ||
| 205 | G | 96.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.3 | -32.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T209 | G205-T209 PolarHBondContact O-N 3.02Å; G205-T209 PolarHBondContact O-OG1 3.14Å |
| 206 | F | 97.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71 | -37.2 | 176.9 | 78.2 | -84.1 | 0 | 0 | 0 | 111.9 | I101 I180 V182 R203 K204 T209 A210 L217 Y300 | I101-F206 WeakPolarHBondContact CD1-O 3.26Å; I101-F206 HydrophobicContact CG2-CB 4.28Å; I101-F206 HydrophobicContact CG2-CD2 4.12Å; I180-F206 HydrophobicContact CD1-CB 3.98Å; V182-F206 HydrophobicContact CG1-CD1 3.97Å; V182-F206 HydrophobicContact CG1-CE1 3.8Å; V182-F206 HydrophobicContact CG2-CD1 4.21Å; V182-F206 HydrophobicContact CG2-CE1 4.22Å; V182-F206 HydrophobicContact CG2-CG 4.49Å; R203-F206 VanDerWaalsContact O-CD1 3.22Å; R203-F206 WeakPolarHBondContact O-CD1 3.38Å; R203-F206 WeakPolarHBondContact O-CE1 3.31Å; K204-F206 VanDerWaalsContact C-N 3.3Å; K204-F206 PolarHBondContact O-N 2.97Å; F206-T209 PolarHBondContact O-N 3.4Å; F206-A210 WeakPolarHBondContact O-CB 3.47Å; F206-A210 PolarHBondContact O-N 3.21Å; F206-L217 HydrophobicContact CD2-CD2 3.66Å; F206-L217 HydrophobicContact CE2-CD2 3.74Å; F206-Y300 HydrophobicContact CE2-CD1 4.24Å; F206-Y300 AromaticContact CE2-CD2 3.89Å; F206-Y300 HydrophobicContact CE2-CD2 3.89Å; F206-Y300 HydrophobicContact CE2-CE1 4.24Å; F206-Y300 AromaticContact CE2-CE2 3.8Å; F206-Y300 HydrophobicContact CE2-CE2 3.8Å; F206-Y300 HydrophobicContact CE2-CG 4.08Å; F206-Y300 AromaticContact CZ-CD1 3.75Å; F206-Y300 HydrophobicContact CZ-CD1 3.75Å; F206-Y300 HydrophobicContact CZ-CD2 4.23Å; F206-Y300 AromaticContact CZ-CE1 3.86Å; F206-Y300 HydrophobicContact CZ-CE1 3.86Å; F206-Y300 HydrophobicContact CZ-CE2 4.25Å; F206-Y300 AromaticContact CZ-CG 3.97Å; F206-Y300 HydrophobicContact CZ-CG 3.97Å |
| 207 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 174.2 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | K204 T209 A210 L211 L217 V293 H297 | K204-V207 WeakPolarHBondContact O-CB 3.34Å; K204-V207 PolarHBondContact O-N 3.28Å; K204-V207 VanDerWaalsContact O-N 3.12Å; V207-T209 VanDerWaalsContact C-N 3.32Å; V207-T209 PolarHBondContact O-N 2.91Å; V207-A210 WeakPolarHBondContact O-CB 3.26Å; V207-A210 PolarHBondContact O-N 3.47Å; V207-L211 HydrophobicContact CG1-CD1 4.2Å; V207-L211 PolarHBondContact O-N 3.07Å; V207-L217 HydrophobicContact CB-CD1 4.37Å; V207-L217 HydrophobicContact CG1-CD1 4.07Å; V207-L217 HydrophobicContact CG2-CD1 4.02Å; V207-V293 HydrophobicContact CB-CG1 4.32Å; V207-V293 HydrophobicContact CG1-CG1 4.16Å; V207-V293 WeakPolarHBondContact CG1-O 3.18Å; V207-H297 HydrophobicContact CG1-CB 4.46Å; V207-H297 HydrophobicContact CG2-CB 4.05Å |
| 208 | R | 98.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 24% | 0.242 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -47.5 | 173.9 | -168.5 | -179.5 | -56.1 | -87.6 | 0.7 | 111.6 | K204 A210 L211 E212 P288 E290 V293 | K204-R208 PolarHBondContact O-N 2.92Å; R208-A210 VanDerWaalsContact C-N 3.32Å; R208-A210 PolarHBondContact O-N 2.9Å; R208-L211 PolarHBondContact O-N 3.37Å; R208-E212 WeakPolarHBondContact O-CG 3.48Å; R208-E212 PolarHBondContact O-N 3Å; R208-P288 HydrophobicContact CG-CG 3.71Å; R208-P288 PolarHBondContact NH1-O 3.3Å; R208-E290 IonicContact CZ-OE1 2.79Å; R208-E290 IonicContact CZ-OE2 3.92Å; R208-E290 IonicContact NH1-OE1 3.56Å; R208-E290 PolarHBondContact NH1-OE1 2.87Å; R208-E290 IonicContact NH1-OE2 2.78Å; R208-E290 IonicContact NH2-OE1 2.62Å; R208-E290 PolarHBondContact NH2-OE1 3.42Å; R208-E290 IonicContact NH2-OE2 3.5Å; R208-E290 PolarHBondContact NH2-OE2 3.24Å; R208-V293 HydrophobicContact CB-CG2 4.09Å; R208-V293 HydrophobicContact CG-CG2 4.18Å |
| 209 | T | 98.1 | Very high | 97.3 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 179.1 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | I101 L165 L169 G205 F206 V207 E212 H213 | I101-T209 HydrophobicContact CD1-CG2 4.13Å; L165-T209 HydrophobicContact CB-CG2 4.09Å; L165-T209 HydrophobicContact CD2-CG2 4.11Å; L169-T209 HydrophobicContact CD1-CG2 3.99Å; G205-T209 PolarHBondContact O-N 3.02Å; G205-T209 PolarHBondContact O-OG1 3.14Å; F206-T209 PolarHBondContact O-N 3.4Å; V207-T209 VanDerWaalsContact C-N 3.32Å; V207-T209 PolarHBondContact O-N 2.91Å; T209-E212 PolarHBondContact O-N 3.37Å; T209-H213 PolarHBondContact O-CD2 2.73Å; T209-H213 PolarHBondContact O-N 3.26Å |
| 210 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -47 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I101 F206 V207 R208 H213 G214 A215 L217 V282 | I101-A210 HydrophobicContact CD1-CB 3.93Å; I101-A210 HydrophobicContact CG1-CB 4.48Å; F206-A210 WeakPolarHBondContact O-CB 3.47Å; F206-A210 PolarHBondContact O-N 3.21Å; V207-A210 WeakPolarHBondContact O-CB 3.26Å; V207-A210 PolarHBondContact O-N 3.47Å; R208-A210 VanDerWaalsContact C-N 3.32Å; R208-A210 PolarHBondContact O-N 2.9Å; A210-H213 PolarHBondContact O-N 3.34Å; A210-G214 WeakPolarHBondContact O-CA 3.5Å; A210-G214 PolarHBondContact O-N 3.45Å; A210-A215 VanDerWaalsContact CB-O 3.24Å; A210-A215 WeakPolarHBondContact CB-O 3.25Å; A210-A215 PolarHBondContact O-N 3.17Å; A210-L217 HydrophobicContact CB-CD1 4.4Å; A210-L217 HydrophobicContact CB-CD2 3.43Å; A210-L217 VanDerWaalsContact CB-CD2 3.43Å; A210-L217 HydrophobicContact CB-CG 3.76Å; A210-V282 HydrophobicContact CB-CG2 4.37Å |
| 211 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.6 | -71.7 | 164.4 | 0 | 0 | 0 | 112.3 | V207 R208 H213 G214 V282 P283 K284 C285 P288 Q292 V293 Y296 | V207-L211 HydrophobicContact CG1-CD1 4.2Å; V207-L211 PolarHBondContact O-N 3.07Å; R208-L211 PolarHBondContact O-N 3.37Å; L211-H213 PolarHBondContact O-N 3.36Å; L211-H213 VanDerWaalsContact O-N 3.07Å; L211-G214 PolarHBondContact O-N 3.19Å; L211-V282 HydrophobicContact CD2-CB 3.96Å; L211-P283 HydrophobicContact CD2-CG 4.18Å; L211-K284 CarbonylContact O-C 3.59Å; L211-K284 WeakPolarHBondContact O-CA 3.43Å; L211-C285 CarbonylContact C-O 3.52Å; L211-C285 PolarHBondContact O-N 3.11Å; L211-P288 HydrophobicContact CB-CB 3.88Å; L211-P288 HydrophobicContact CB-CG 4.06Å; L211-P288 HydrophobicContact CD1-CB 3.88Å; L211-P288 HydrophobicContact CG-CB 4.48Å; L211-Q292 HydrophobicContact CD1-CB 4.47Å; L211-V293 HydrophobicContact CD1-CG2 3.91Å; L211-Y296 HydrophobicContact CD1-CD2 4.2Å; L211-Y296 HydrophobicContact CD2-CD2 3.64Å; L211-Y296 HydrophobicContact CD2-CE2 3.81Å; L211-Y296 HydrophobicContact CD2-CG 4.33Å; L211-Y296 HydrophobicContact CG-CD2 4.39Å |
| 212 | E | 98.3 | Very high | 98 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.8 | -33.6 | 177.5 | -75.2 | 177.2 | -177.7 | 0 | 0 | 112.3 | K162 R208 T209 C285 P288 | K162-E212 WeakPolarHBondContact CE-OE2 3.19Å; K162-E212 IonicContact NZ-OE1 3.81Å; K162-E212 PolarHBondContact NZ-OE1 2.94Å; K162-E212 IonicContact NZ-OE2 2.61Å; K162-E212 PolarHBondContact NZ-OE2 3.44Å; R208-E212 WeakPolarHBondContact O-CG 3.48Å; R208-E212 PolarHBondContact O-N 3Å; T209-E212 PolarHBondContact O-N 3.37Å; E212-C285 VanDerWaalsContact CA-O 3.23Å; E212-C285 WeakPolarHBondContact CA-O 3.44Å; E212-C285 PolarHBondContact N-O 3.46Å; E212-P288 HydrophobicContact CG-CG 4.26Å |
| 213 | H | 97.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 19.5 Ų | 19.5 | 16% | 0.162 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -111.8 | -4.4 | -174.3 | -67.5 | -67.3 | 0 | 0 | 0 | 115.4 | V166 L169 T209 A210 L211 A215 | V166-H213 WeakPolarHBondContact CG2-NE2 3.26Å; L169-H213 HydrophobicContact CB-CB 3.89Å; L169-H213 HydrophobicContact CD1-CB 4.21Å; T209-H213 PolarHBondContact O-CD2 2.73Å; T209-H213 PolarHBondContact O-N 3.26Å; A210-H213 PolarHBondContact O-N 3.34Å; L211-H213 PolarHBondContact O-N 3.36Å; L211-H213 VanDerWaalsContact O-N 3.07Å; H213-A215 VanDerWaalsContact C-N 3.31Å |
| 214 | G | 97.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 15 Ų | 15 | 22% | 0.216 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 42.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A210 L211 | A210-G214 WeakPolarHBondContact O-CA 3.5Å; A210-G214 PolarHBondContact O-N 3.45Å; L211-G214 PolarHBondContact O-N 3.19Å |
| 215 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 119.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | N99 I101 L169 A210 H213 L217 V282 | N99-A215 HydrophobicContact CB-CB 4.22Å; N99-A215 CarbonylContact O-C 3.56Å; N99-A215 WeakPolarHBondContact O-CA 3.25Å; I101-A215 HydrophobicContact CG1-CB 4.29Å; L169-A215 HydrophobicContact CD1-CB 4.25Å; L169-A215 HydrophobicContact CD2-CB 3.74Å; A210-A215 VanDerWaalsContact CB-O 3.24Å; A210-A215 WeakPolarHBondContact CB-O 3.25Å; A210-A215 PolarHBondContact O-N 3.17Å; H213-A215 VanDerWaalsContact C-N 3.31Å; A215-L217 PolarHBondContact O-N 2.79Å; A215-V282 WeakPolarHBondContact O-CG2 3.47Å |
| 216 | D | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 11 Ų | 11 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 139.3 | -175.5 | -69.1 | -1.5 | 0 | 0 | 0 | 109.9 | K98 N99 Y100 I101 P279 I280 P281 | K98-D216 WeakPolarHBondContact CD-OD2 3.22Å; K98-D216 IonicContact NZ-OD1 3.48Å; K98-D216 PolarHBondContact NZ-OD1 2.72Å; K98-D216 IonicContact NZ-OD2 2.74Å; K98-D216 PolarHBondContact NZ-OD2 3.2Å; N99-D216 PolarHBondContact O-N 3.31Å; Y100-D216 VanDerWaalsContact CA-O 3.26Å; Y100-D216 WeakPolarHBondContact CA-O 3.37Å; Y100-D216 HydrophobicContact CD1-CB 3.69Å; Y100-D216 HydrophobicContact CE1-CB 3.79Å; I101-D216 PolarHBondContact N-O 2.99Å; D216-P279 HydrophobicContact CB-CB 4.12Å; D216-I280 WeakPolarHBondContact CA-O 3.31Å; D216-P281 WeakPolarHBondContact OD1-CA 3.38Å |
| 217 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 135.7 | 179.1 | -69.3 | 168.3 | 0 | 0 | 0 | 110 | I101 F206 V207 A210 A215 P279 I280 V282 Y300 | I101-L217 HydrophobicContact CB-CD2 4.25Å; F206-L217 HydrophobicContact CD2-CD2 3.66Å; F206-L217 HydrophobicContact CE2-CD2 3.74Å; V207-L217 HydrophobicContact CB-CD1 4.37Å; V207-L217 HydrophobicContact CG1-CD1 4.07Å; V207-L217 HydrophobicContact CG2-CD1 4.02Å; A210-L217 HydrophobicContact CB-CD1 4.4Å; A210-L217 HydrophobicContact CB-CD2 3.43Å; A210-L217 VanDerWaalsContact CB-CD2 3.43Å; A210-L217 HydrophobicContact CB-CG 3.76Å; A215-L217 PolarHBondContact O-N 2.79Å; L217-P279 CarbonylContact O-C 3.49Å; L217-P279 WeakPolarHBondContact O-CA 3.49Å; L217-I280 HydrophobicContact CB-CB 4.24Å; L217-I280 PolarHBondContact N-O 3.27Å; L217-I280 PolarHBondContact O-N 3.34Å; L217-V282 HydrophobicContact CD1-CG1 4Å; L217-V282 HydrophobicContact CG-CG1 4.11Å; L217-Y300 HydrophobicContact CB-CD2 3.96Å |
| 218 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115.5 | -178.9 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | L94 Y100 I101 L102 G103 V276 G277 P279 | L94-V218 HydrophobicContact CD2-CG2 4.08Å; Y100-V218 HydrophobicContact CD1-CG2 3.68Å; Y100-V218 HydrophobicContact CG-CG2 4.33Å; I101-V218 PolarHBondContact O-N 3.43Å; L102-V218 CarbonylContact C-O 3.44Å; L102-V218 WeakPolarHBondContact CA-O 3.46Å; L102-V218 HydrophobicContact CD1-CB 3.81Å; L102-V218 HydrophobicContact CD1-CG1 4.4Å; L102-V218 HydrophobicContact CD1-CG2 3.87Å; L102-V218 HydrophobicContact CG-CB 3.82Å; L102-V218 HydrophobicContact CG-CG1 4.09Å; L102-V218 HydrophobicContact CG-CG2 4.42Å; G103-V218 PolarHBondContact N-O 3.46Å; V218-V276 HydrophobicContact CG1-CG1 3.74Å; V218-G277 VanDerWaalsContact CG1-O 3.28Å; V218-G277 WeakPolarHBondContact CG1-O 3.42Å; V218-P279 HydrophobicContact CG2-CB 4.06Å |
| 219 | P | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.013 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 134.7 | 173.9 | 29.5 | -32.1 | 0 | 0 | 0 | 110.7 | G277 Y300 A303 L304 L307 | P219-G277 WeakPolarHBondContact O-CA 3.39Å; P219-G277 PolarHBondContact O-N 3.28Å; P219-Y300 WeakPolarHBondContact CA-OH 3.42Å; P219-Y300 HydrophobicContact CB-CE2 4.06Å; P219-A303 HydrophobicContact CG-CB 3.98Å; P219-L304 HydrophobicContact CB-CB 4.09Å; P219-L304 HydrophobicContact CB-CD1 3.92Å; P219-L307 HydrophobicContact CB-CD2 4.36Å; P219-L307 HydrophobicContact CG-CD2 4.47Å; P219-L307 WeakPolarHBondContact O-CD2 3.4Å |
| 220 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.1 | 175 | 177.7 | 0 | 0 | 0 | 0 | 109 | L102 G103 H105 F118 T274 V275 V276 | L102-V220 HydrophobicContact CB-CG2 3.97Å; L102-V220 HydrophobicContact CD2-CG2 4.11Å; L102-V220 HydrophobicContact CG-CG2 3.99Å; G103-V220 WeakPolarHBondContact O-CB 3.39Å; G103-V220 PolarHBondContact O-N 3.05Å; H105-V220 PolarHBondContact N-O 3.08Å; F118-V220 HydrophobicContact CE2-CG1 4.03Å; F118-V220 HydrophobicContact CZ-CG1 3.82Å; F118-V220 HydrophobicContact CZ-CG2 4.4Å; V220-T274 HydrophobicContact CG1-CG2 3.54Å; V220-V275 VanDerWaalsContact CA-O 3.31Å; V220-V275 WeakPolarHBondContact CA-O 3.41Å; V220-V276 HydrophobicContact CG1-CG2 4.44Å; V220-V276 HydrophobicContact CG2-CB 4.44Å; V220-V276 HydrophobicContact CG2-CG1 4.27Å; V220-V276 HydrophobicContact CG2-CG2 4.17Å |
| 221 | Y | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.8 | 177.2 | -163.8 | -86.5 | 0 | 0 | 0 | 111.8 | H105 N196 V198 F223 T274 V275 L304 F308 L323 | H105-Y221 HydrophobicContact CB-CD2 4.09Å; H105-Y221 CarbonylContact O-C 3.56Å; H105-Y221 VanDerWaalsContact O-CA 3.26Å; H105-Y221 WeakPolarHBondContact O-CA 3.29Å; N196-Y221 WeakPolarHBondContact CB-OH 3.3Å; N196-Y221 PolarHBondContact OD1-OH 3.41Å; V198-Y221 HydrophobicContact CG1-CE2 4.24Å; Y221-F223 AromaticContact CD1-CD1 3.85Å; Y221-F223 HydrophobicContact CD1-CD1 3.85Å; Y221-F223 AromaticContact CD1-CD2 3.76Å; Y221-F223 HydrophobicContact CD1-CD2 3.76Å; Y221-F223 AromaticContact CD1-CE1 3.73Å; Y221-F223 HydrophobicContact CD1-CE1 3.73Å; Y221-F223 AromaticContact CD1-CE2 3.63Å; Y221-F223 HydrophobicContact CD1-CE2 3.63Å; Y221-F223 AromaticContact CD1-CG 3.87Å; Y221-F223 HydrophobicContact CD1-CG 3.87Å; Y221-F223 AromaticContact CD1-CZ 3.63Å; Y221-F223 HydrophobicContact CD1-CZ 3.63Å; Y221-F223 AromaticContact CE1-CD1 3.58Å; Y221-F223 HydrophobicContact CE1-CD1 3.58Å; Y221-F223 HydrophobicContact CE1-CD2 4.3Å; Y221-F223 AromaticContact CE1-CE1 3.63Å; Y221-F223 HydrophobicContact CE1-CE1 3.63Å; Y221-F223 HydrophobicContact CE1-CE2 4.35Å; Y221-F223 AromaticContact CE1-CG 3.93Å; Y221-F223 HydrophobicContact CE1-CG 3.93Å; Y221-F223 HydrophobicContact CE1-CZ 4.05Å; Y221-T274 CarbonylContact O-C 3.58Å; Y221-T274 WeakPolarHBondContact O-CA 3.41Å; Y221-V275 PolarHBondContact N-O 3.34Å; Y221-V275 PolarHBondContact O-N 3.46Å; Y221-L304 HydrophobicContact CD2-CD1 4.2Å; Y221-F308 HydrophobicContact CD1-CD2 4.02Å; Y221-F308 HydrophobicContact CD2-CD2 4.31Å; Y221-F308 AromaticContact CE1-CD2 3.55Å; Y221-F308 HydrophobicContact CE1-CD2 3.55Å; Y221-F308 AromaticContact CE1-CE2 3.82Å; Y221-F308 HydrophobicContact CE1-CE2 3.82Å; Y221-F308 AromaticContact CE2-CD2 3.88Å; Y221-F308 HydrophobicContact CE2-CD2 3.88Å; Y221-F308 HydrophobicContact CE2-CE2 4.44Å; Y221-F308 HydrophobicContact CG-CD2 4.38Å; Y221-F308 AromaticContact CZ-CD2 3.47Å; Y221-F308 VanDerWaalsContact CZ-CD2 3.47Å; Y221-F308 AromaticContact CZ-CE2 3.68Å; Y221-F308 WeakPolarHBondContact OH-CE2 3.41Å; Y221-L323 HydrophobicContact CE2-CD1 3.64Å |
| 222 | S | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 99.9 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | H105 P106 E225 T273 T274 | H105-S222 PolarHBondContact O-N 2.98Å; P106-S222 WeakPolarHBondContact CD-O 3.21Å; S222-E225 WeakPolarHBondContact O-CB 3.45Å; S222-T273 CarbonylContact C-O 3.54Å; S222-T273 WeakPolarHBondContact CA-O 3.16Å; S222-T274 WeakPolarHBondContact OG-CG2 3.23Å; S222-T274 PolarHBondContact OG-OG1 3.42Å |
| 223 | F | 98.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 141.2 | 174.8 | -63.5 | -86.2 | 0 | 0 | 0 | 110.8 | Y221 E225 V272 T273 V275 F308 H311 K312 C315 L317 | Y221-F223 AromaticContact CD1-CD1 3.85Å; Y221-F223 HydrophobicContact CD1-CD1 3.85Å; Y221-F223 AromaticContact CD1-CD2 3.76Å; Y221-F223 HydrophobicContact CD1-CD2 3.76Å; Y221-F223 AromaticContact CD1-CE1 3.73Å; Y221-F223 HydrophobicContact CD1-CE1 3.73Å; Y221-F223 AromaticContact CD1-CE2 3.63Å; Y221-F223 HydrophobicContact CD1-CE2 3.63Å; Y221-F223 AromaticContact CD1-CG 3.87Å; Y221-F223 HydrophobicContact CD1-CG 3.87Å; Y221-F223 AromaticContact CD1-CZ 3.63Å; Y221-F223 HydrophobicContact CD1-CZ 3.63Å; Y221-F223 AromaticContact CE1-CD1 3.58Å; Y221-F223 HydrophobicContact CE1-CD1 3.58Å; Y221-F223 HydrophobicContact CE1-CD2 4.3Å; Y221-F223 AromaticContact CE1-CE1 3.63Å; Y221-F223 HydrophobicContact CE1-CE1 3.63Å; Y221-F223 HydrophobicContact CE1-CE2 4.35Å; Y221-F223 AromaticContact CE1-CG 3.93Å; Y221-F223 HydrophobicContact CE1-CG 3.93Å; Y221-F223 HydrophobicContact CE1-CZ 4.05Å; F223-E225 VanDerWaalsContact C-N 3.3Å; F223-V272 VanDerWaalsContact O-CA 3.29Å; F223-V272 WeakPolarHBondContact O-CA 3.26Å; F223-T273 PolarHBondContact N-O 3.27Å; F223-T273 PolarHBondContact O-N 3.4Å; F223-V275 HydrophobicContact CD2-CG2 4.03Å; F223-V275 HydrophobicContact CE2-CG2 3.81Å; F223-F308 HydrophobicContact CD1-CE2 4.34Å; F223-F308 AromaticContact CE1-CD2 3.55Å; F223-F308 HydrophobicContact CE1-CD2 3.55Å; F223-F308 AromaticContact CE1-CE2 3.65Å; F223-F308 HydrophobicContact CE1-CE2 3.65Å; F223-F308 HydrophobicContact CE1-CG 4.41Å; F223-F308 AromaticContact CZ-CD2 3.99Å; F223-F308 HydrophobicContact CZ-CD2 3.99Å; F223-H311 HydrophobicContact CE2-CB 3.64Å; F223-H311 HydrophobicContact CZ-CB 3.83Å; F223-K312 HydrophobicContact CE1-CB 3.81Å; F223-K312 HydrophobicContact CZ-CB 4.37Å; F223-C315 HydrophobicContact CB-CB 3.61Å; F223-C315 HydrophobicContact CD1-CB 3.93Å; F223-C315 HydrophobicContact CD2-CB 3.82Å; F223-C315 WeakPolarHBondContact CD2-SG 3.39Å; F223-C315 HydrophobicContact CE2-CB 4.46Å; F223-C315 HydrophobicContact CG-CB 3.51Å; F223-L317 HydrophobicContact CD1-CD1 3.76Å; F223-L317 HydrophobicContact CD1-CG 4.45Å; F223-L317 HydrophobicContact CE1-CD1 4.03Å |
| 224 | G | 96.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 24.2 Ų | 24.2 | 24% | 0.237 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -8.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N226 E227 | G224-N226 VanDerWaalsContact C-N 3.34Å; G224-N226 PolarHBondContact O-N 3.29Å; G224-E227 WeakPolarHBondContact O-CB 3.43Å; G224-E227 PolarHBondContact O-N 2.78Å |
| 225 | E | 95.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.2 | -37.2 | -176.9 | -170.1 | 67.8 | -140.3 | 0 | 0 | 113.1 | P106 C111 A112 G113 S222 F223 E227 L228 | P106-E225 HydrophobicContact CG-CB 4.09Å; P106-E225 HydrophobicContact CG-CG 4.42Å; C111-E225 VanDerWaalsContact C-OE1 3.26Å; C111-E225 WeakPolarHBondContact CA-OE1 2.98Å; C111-E225 PolarHBondContact N-OE1 3.48Å; A112-E225 PolarHBondContact N-OE1 2.94Å; G113-E225 WeakPolarHBondContact CA-OE2 3.49Å; G113-E225 PolarHBondContact N-OE2 3.45Å; S222-E225 WeakPolarHBondContact O-CB 3.45Å; F223-E225 VanDerWaalsContact C-N 3.3Å; E225-E227 PolarHBondContact O-N 2.78Å; E225-L228 WeakPolarHBondContact O-CG 3.22Å |
| 226 | N | 93.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -75.8 | -8.9 | 177.4 | -72 | -19.8 | 0 | 0 | 0 | 113.6 | S191 I195 G224 | S191-N226 PolarHBondContact OG-OD1 3.01Å; I195-N226 PolarHBondContact O-ND2 2.87Å; G224-N226 VanDerWaalsContact C-N 3.34Å; G224-N226 PolarHBondContact O-N 3.29Å |
| 227 | E | 94.3 | Very high | 91.3 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -91.3 | -6.4 | -179.9 | -55.6 | -60.3 | 133.5 | 0 | 0 | 112.8 | P193 G194 G224 E225 F229 K270 | P193-E227 WeakPolarHBondContact CA-OE1 3.26Å; G194-E227 PolarHBondContact N-OE1 3.41Å; G224-E227 WeakPolarHBondContact O-CB 3.43Å; G224-E227 PolarHBondContact O-N 2.78Å; E225-E227 PolarHBondContact O-N 2.78Å; E227-F229 VanDerWaalsContact C-N 3.3Å; E227-F229 PolarHBondContact O-N 3.33Å; E227-K270 HydrophobicContact CB-CB 4.12Å; E227-K270 HydrophobicContact CB-CD 4.49Å; E227-K270 HydrophobicContact CB-CG 3.85Å |
| 228 | L | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -76 | -20.7 | -171.7 | -57.4 | -170 | 0 | 0 | 0 | 113.3 | F84 A112 E225 P267 F268 K270 V272 | F84-L228 HydrophobicContact CD1-CD1 4.27Å; F84-L228 HydrophobicContact CD1-CD2 3.6Å; F84-L228 HydrophobicContact CE1-CD1 4.03Å; F84-L228 HydrophobicContact CE1-CD2 3.69Å; F84-L228 HydrophobicContact CE1-CG 4.28Å; F84-L228 HydrophobicContact CZ-CD1 4.45Å; A112-L228 HydrophobicContact CB-CD1 3.44Å; A112-L228 VanDerWaalsContact CB-CD1 3.44Å; E225-L228 WeakPolarHBondContact O-CG 3.22Å; L228-P267 HydrophobicContact CB-CB 4.48Å; L228-P267 CarbonylContact O-C 3.58Å; L228-P267 VanDerWaalsContact O-CA 3.3Å; L228-P267 WeakPolarHBondContact O-CA 3.49Å; L228-P267 WeakPolarHBondContact O-CB 3.36Å; L228-F268 WeakPolarHBondContact O-CD2 3.48Å; L228-F268 PolarHBondContact O-N 3.49Å; L228-K270 HydrophobicContact CD2-CB 3.95Å; L228-V272 HydrophobicContact CD1-CG2 4Å; L228-V272 HydrophobicContact CD2-CG2 3.85Å; L228-V272 HydrophobicContact CG-CG2 4.34Å |
| 229 | F | 93.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -150.8 | 156.1 | -178.5 | -64 | -81.8 | 0 | 0 | 0 | 110 | V21 I109 M110 E227 F258 P267 | V21-F229 HydrophobicContact CG2-CZ 4.33Å; I109-F229 HydrophobicContact CB-CB 4.27Å; I109-F229 HydrophobicContact CB-CD2 3.7Å; I109-F229 HydrophobicContact CB-CE2 4.27Å; I109-F229 HydrophobicContact CB-CG 4.2Å; I109-F229 HydrophobicContact CG1-CB 3.64Å; I109-F229 HydrophobicContact CG1-CD2 3.98Å; I109-F229 HydrophobicContact CG1-CG 4.12Å; I109-F229 HydrophobicContact CG2-CD2 4.36Å; M110-F229 HydrophobicContact CB-CE2 4.25Å; M110-F229 HydrophobicContact CG-CE2 4.03Å; M110-F229 HydrophobicContact CG-CZ 4.24Å; M110-F229 HydrophobicContact SD-CE1 4.44Å; M110-F229 HydrophobicContact SD-CE2 3.92Å; M110-F229 HydrophobicContact SD-CZ 3.52Å; M110-F229 VanDerWaalsContact SD-CZ 3.52Å; E227-F229 VanDerWaalsContact C-N 3.3Å; E227-F229 PolarHBondContact O-N 3.33Å; F229-F258 HydrophobicContact CB-CB 4.23Å; F229-F258 AromaticContact CD1-CD2 3.39Å; F229-F258 HydrophobicContact CD1-CD2 3.39Å; F229-F258 AromaticContact CD1-CE2 3.75Å; F229-F258 HydrophobicContact CD1-CE2 3.75Å; F229-F258 HydrophobicContact CD1-CG 4.18Å; F229-F258 AromaticContact CE1-CD2 3.68Å; F229-F258 HydrophobicContact CE1-CD2 3.68Å; F229-F258 AromaticContact CE1-CE2 3.48Å; F229-F258 HydrophobicContact CE1-CE2 3.48Å; F229-F258 VanDerWaalsContact CE1-CE2 3.48Å; F229-F258 HydrophobicContact CE1-CZ 4.3Å; F229-F258 HydrophobicContact CG-CD2 4.14Å; F229-F258 HydrophobicContact CZ-CE2 4.25Å; F229-P267 HydrophobicContact CD1-CB 4.29Å; F229-P267 HydrophobicContact CE1-CB 3.76Å; F229-P267 HydrophobicContact CE1-CG 3.58Å; F229-P267 HydrophobicContact CE2-CB 4.07Å; F229-P267 HydrophobicContact CE2-CG 4.09Å; F229-P267 HydrophobicContact CZ-CB 3.69Å; F229-P267 HydrophobicContact CZ-CG 3.33Å | ||
| 230 | Q | 90.6 | Very high | 89.1 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.4 | 167.9 | -173.1 | 173.5 | 6.7 | 0 | 0 | 109.2 | F258 V259 F268 | Q230-F258 CarbonylContact O-C 3.47Å; Q230-F258 WeakPolarHBondContact O-CA 3.31Å; Q230-V259 PolarHBondContact N-O 3.45Å; Q230-V259 PolarHBondContact O-N 2.82Å; Q230-F268 HydrophobicContact CB-CE2 4.4Å |
| 231 | Q | 88.6 | Confident | 88.3 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.4 | 175.2 | -167.9 | -171.4 | 5.4 | 0 | 0 | 110.6 | I109 L189 S191 I233 | I109-Q231 HydrophobicContact CD1-CB 4.2Å; I109-Q231 HydrophobicContact CD1-CG 4.37Å; L189-Q231 VanDerWaalsContact CA-NE2 3.32Å; L189-Q231 PolarHBondContact O-NE2 2.92Å; L189-Q231 PolarHBondContact O-OE1 2.92Å; L189-Q231 VanDerWaalsContact O-OE1 3.1Å; S191-Q231 WeakPolarHBondContact O-CB 3.32Å; S191-Q231 PolarHBondContact O-OE1 3.33Å; Q231-I233 HydrophobicContact CB-CG1 4.48Å; Q231-I233 HydrophobicContact CG-CG1 4.3Å; Q231-I233 PolarHBondContact O-N 3.44Å |
| 232 | V | 84.9 | Confident | 87.5 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | trans | -85.7 | 107.5 | 167.8 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | F234 L257 V259 | V232-F234 HydrophobicContact CG1-CE1 4.36Å; V232-L257 HydrophobicContact CB-CB 3.98Å; V232-L257 HydrophobicContact CG2-CB 4.4Å; V232-L257 PolarHBondContact N-O 2.92Å; V232-V259 HydrophobicContact CG2-CG2 3.8Å | ||
| 233 | I | 82.4 | Confident | 86.7 | Confident | 124 Ų | 124 | 61.5 Ų | 61.5 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -94.8 | 117.4 | 178.9 | -59.5 | 172.8 | 0 | 0 | 0 | 108.7 | Q231 | Q231-I233 HydrophobicContact CB-CG1 4.48Å; Q231-I233 HydrophobicContact CG-CG1 4.3Å; Q231-I233 PolarHBondContact O-N 3.44Å |
| 234 | F | 79.8 | Confident | 85.9 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 25% | 0.25 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 135.6 | 174.1 | -67 | -62.9 | 0 | 0 | 0 | 110.8 | V232 R241 L257 | V232-F234 HydrophobicContact CG1-CE1 4.36Å; F234-R241 HydrophobicContact CB-CB 3.96Å; F234-L257 HydrophobicContact CE2-CD1 3.55Å; F234-L257 HydrophobicContact CE2-CG 4.28Å; F234-L257 HydrophobicContact CZ-CD1 3.38Å |
| 235 | S | 79.9 | Confident | 85.1 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 59% | 0.587 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 147.3 | 172.8 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | G237 S238 | S235-G237 PolarHBondContact O-N 3.38Å; S235-S238 VanDerWaalsContact O-CB 3.23Å; S235-S238 WeakPolarHBondContact O-CB 3.24Å; S235-S238 PolarHBondContact O-N 2.96Å; S235-S238 VanDerWaalsContact O-N 3.14Å; S235-S238 PolarHBondContact O-OG 3.25Å |
| 236 | D | 76.9 | Confident | 84.5 | Confident | 145 Ų | 145 | 68 Ų | 68 | 78% | 0.775 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.1 | 176.5 | -71.2 | -33.9 | 0 | 0 | 0 | 110.6 | S238 | D236-S238 VanDerWaalsContact C-N 3.28Å; D236-S238 PolarHBondContact O-N 3.05Å |
| 237 | G | 76.1 | Confident | 83.8 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 52% | 0.515 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -10.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S235 R242 | S235-G237 PolarHBondContact O-N 3.38Å; G237-R242 PolarHBondContact O-NE 3.04Å; G237-R242 PolarHBondContact O-NH2 2.89Å |
| 238 | S | 86.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 73.5 Ų | 73.5 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | trans | -64.8 | 156 | 177.7 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | S235 D236 G240 R241 R242 | S235-S238 VanDerWaalsContact O-CB 3.23Å; S235-S238 WeakPolarHBondContact O-CB 3.24Å; S235-S238 PolarHBondContact O-N 2.96Å; S235-S238 VanDerWaalsContact O-N 3.14Å; S235-S238 PolarHBondContact O-OG 3.25Å; D236-S238 VanDerWaalsContact C-N 3.28Å; D236-S238 PolarHBondContact O-N 3.05Å; S238-G240 VanDerWaalsContact C-N 3.27Å; S238-G240 PolarHBondContact O-N 3.31Å; S238-R241 PolarHBondContact O-N 3.15Å; S238-R241 WeakPolarHBondContact OG-CB 3.39Å; S238-R241 PolarHBondContact OG-N 3.19Å; S238-R241 VanDerWaalsContact OG-N 3.13Å; S238-R242 WeakPolarHBondContact O-CG 3.34Å; S238-R242 PolarHBondContact O-N 3.48Å | ||
| 239 | L | 82.1 | Confident | 82.4 | Confident | 132 Ų | 132 | 79.9 Ų | 79.9 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.1 | -40.7 | 173.9 | -67.9 | 176.1 | 0 | 0 | 0 | 111.7 | R241 R242 L243 | L239-R241 PolarHBondContact O-N 3.43Å; L239-R242 PolarHBondContact O-N 3.06Å; L239-L243 WeakPolarHBondContact O-CG 3.33Å; L239-L243 PolarHBondContact O-N 2.76Å |
| 240 | G | 81.1 | Confident | 81.4 | Confident | 17 Ų | 17 | 84.9 Ų | 84.9 | 18% | 0.175 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S238 L243 Q244 | S238-G240 VanDerWaalsContact C-N 3.27Å; S238-G240 PolarHBondContact O-N 3.31Å; G240-L243 PolarHBondContact O-N 3.34Å; G240-Q244 WeakPolarHBondContact O-CB 3.45Å; G240-Q244 PolarHBondContact O-N 3.35Å |
| 241 | R | 81.9 | Confident | 80.5 | Confident | 83 Ų | 83 | 84.4 Ų | 84.4 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 175 | -176.2 | 53.8 | 177 | -143.3 | -17.6 | 112 | F234 S238 L239 L243 Q244 D245 | F234-R241 HydrophobicContact CB-CB 3.96Å; S238-R241 PolarHBondContact O-N 3.15Å; S238-R241 WeakPolarHBondContact OG-CB 3.39Å; S238-R241 PolarHBondContact OG-N 3.19Å; S238-R241 VanDerWaalsContact OG-N 3.13Å; L239-R241 PolarHBondContact O-N 3.43Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-L243 PolarHBondContact O-N 3.11Å; R241-Q244 WeakPolarHBondContact O-CB 3.42Å; R241-Q244 PolarHBondContact O-N 3.45Å; R241-D245 IonicContact CZ-OD1 2.71Å; R241-D245 IonicContact NE-OD1 3.72Å; R241-D245 PolarHBondContact NE-OD1 3.3Å; R241-D245 IonicContact NE-OD2 2.92Å; R241-D245 PolarHBondContact NE-OD2 3.19Å; R241-D245 WeakPolarHBondContact O-CB 3.37Å; R241-D245 PolarHBondContact O-N 2.99Å |
| 242 | R | 82.2 | Confident | 79.4 | Confident | 162 Ų | 162 | 86.6 Ų | 86.6 | 61% | 0.611 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 176.3 | -66.8 | 175.6 | -168.4 | -166.4 | -0.8 | 112.4 | G237 S238 L239 D245 L246 | G237-R242 PolarHBondContact O-NE 3.04Å; G237-R242 PolarHBondContact O-NH2 2.89Å; S238-R242 WeakPolarHBondContact O-CG 3.34Å; S238-R242 PolarHBondContact O-N 3.48Å; L239-R242 PolarHBondContact O-N 3.06Å; R242-D245 PolarHBondContact O-N 3.23Å; R242-L246 WeakPolarHBondContact O-CB 3.43Å; R242-L246 PolarHBondContact O-N 3.38Å |
| 243 | L | 81.3 | Confident | 78.8 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 175.4 | -71 | 172.8 | 0 | 0 | 0 | 111.9 | L239 G240 R241 D245 L246 F247 | L239-L243 WeakPolarHBondContact O-CG 3.33Å; L239-L243 PolarHBondContact O-N 2.76Å; G240-L243 PolarHBondContact O-N 3.34Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-L243 PolarHBondContact O-N 3.11Å; L243-D245 VanDerWaalsContact C-N 3.34Å; L243-L246 PolarHBondContact O-N 2.87Å; L243-F247 PolarHBondContact O-N 3.13Å |
| 244 | Q | 81.1 | Confident | 78.3 | Confident | 8 Ų | 8 | 81.8 Ų | 81.8 | 4% | 0.037 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.6 | -173.5 | -179.5 | 64.2 | 0 | 0 | 111.4 | G240 R241 F247 K248 A254 P255 | G240-Q244 WeakPolarHBondContact O-CB 3.45Å; G240-Q244 PolarHBondContact O-N 3.35Å; R241-Q244 WeakPolarHBondContact O-CB 3.42Å; R241-Q244 PolarHBondContact O-N 3.45Å; Q244-F247 PolarHBondContact O-N 3.24Å; Q244-K248 WeakPolarHBondContact O-CB 3.45Å; Q244-K248 PolarHBondContact O-N 2.96Å; Q244-A254 HydrophobicContact CG-CB 3.55Å; Q244-P255 HydrophobicContact CG-CG 4.22Å; Q244-P255 PolarHBondContact NE2-O 3.45Å |
| 245 | D | 81.1 | Confident | 78.2 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 176.8 | -70.4 | -31.4 | 0 | 0 | 0 | 112 | R241 R242 L243 K248 N249 | R241-D245 IonicContact CZ-OD1 2.71Å; R241-D245 IonicContact NE-OD1 3.72Å; R241-D245 PolarHBondContact NE-OD1 3.3Å; R241-D245 IonicContact NE-OD2 2.92Å; R241-D245 PolarHBondContact NE-OD2 3.19Å; R241-D245 WeakPolarHBondContact O-CB 3.37Å; R241-D245 PolarHBondContact O-N 2.99Å; R242-D245 PolarHBondContact O-N 3.23Å; L243-D245 VanDerWaalsContact C-N 3.34Å; D245-K248 WeakPolarHBondContact O-CB 3.44Å; D245-K248 PolarHBondContact O-N 3.4Å; D245-N249 PolarHBondContact O-N 2.83Å; D245-N249 PolarHBondContact O-ND2 2.86Å |
| 246 | L | 82.3 | Confident | 78.2 | Confident | 106 Ų | 106 | 78 Ų | 78 | 56% | 0.555 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.2 | -49.5 | 172.9 | -177.4 | 72.6 | 0 | 0 | 0 | 111.1 | R242 L243 K248 N249 V250 | R242-L246 WeakPolarHBondContact O-CB 3.43Å; R242-L246 PolarHBondContact O-N 3.38Å; L243-L246 PolarHBondContact O-N 2.87Å; L246-K248 VanDerWaalsContact C-N 3.3Å; L246-K248 PolarHBondContact O-N 2.89Å; L246-N249 PolarHBondContact O-N 3.42Å; L246-N249 VanDerWaalsContact O-N 3.15Å; L246-V250 WeakPolarHBondContact O-CG2 3.38Å; L246-V250 PolarHBondContact O-N 2.61Å; L246-V250 VanDerWaalsContact O-N 3.15Å |
| 247 | F | 80.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 37% | 0.368 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 177.9 | -172.1 | -79.3 | 0 | 0 | 0 | 111.2 | L243 Q244 N249 V250 M251 F253 P255 | L243-F247 PolarHBondContact O-N 3.13Å; Q244-F247 PolarHBondContact O-N 3.24Å; F247-N249 VanDerWaalsContact C-N 3.29Å; F247-N249 PolarHBondContact O-N 3.16Å; F247-V250 PolarHBondContact O-N 3.18Å; F247-V250 VanDerWaalsContact O-N 3.16Å; F247-M251 HydrophobicContact CD1-CB 3.83Å; F247-M251 HydrophobicContact CD1-CG 3.83Å; F247-M251 HydrophobicContact CD2-CG 4.28Å; F247-M251 HydrophobicContact CE1-CB 3.54Å; F247-M251 HydrophobicContact CE1-CG 3.51Å; F247-M251 HydrophobicContact CE2-CG 3.95Å; F247-M251 HydrophobicContact CG-CG 4.25Å; F247-M251 HydrophobicContact CZ-CB 4.11Å; F247-M251 HydrophobicContact CZ-CG 3.58Å; F247-M251 WeakPolarHBondContact O-CB 3.34Å; F247-M251 PolarHBondContact O-N 3.47Å; F247-F253 WeakPolarHBondContact CD1-O 3.41Å; F247-F253 HydrophobicContact CE1-CE2 4.01Å; F247-F253 HydrophobicContact CE1-CZ 4.13Å; F247-P255 HydrophobicContact CB-CG 4.24Å; F247-P255 HydrophobicContact CD1-CB 4.48Å; F247-P255 VanDerWaalsContact CD1-CD 3.48Å; F247-P255 HydrophobicContact CD1-CG 4.07Å; F247-P255 HydrophobicContact CG-CG 4.11Å |
| 248 | K | 81.6 | Confident | 79.3 | Confident | 101 Ų | 101 | 74 Ų | 74 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 175.1 | -178.5 | -177.1 | 170.8 | -171.4 | 0 | 112.4 | Q244 D245 L246 V250 G252 F253 A254 | Q244-K248 WeakPolarHBondContact O-CB 3.45Å; Q244-K248 PolarHBondContact O-N 2.96Å; D245-K248 WeakPolarHBondContact O-CB 3.44Å; D245-K248 PolarHBondContact O-N 3.4Å; L246-K248 VanDerWaalsContact C-N 3.3Å; L246-K248 PolarHBondContact O-N 2.89Å; K248-V250 VanDerWaalsContact C-N 3.31Å; K248-V250 PolarHBondContact O-N 3.18Å; K248-G252 CarbonylContact O-C 3.38Å; K248-G252 WeakPolarHBondContact O-CA 3.47Å; K248-G252 PolarHBondContact O-N 2.93Å; K248-F253 WeakPolarHBondContact CA-O 3.27Å; K248-A254 HydrophobicContact CB-CB 3.96Å; K248-A254 HydrophobicContact CD-CB 4.13Å; K248-A254 HydrophobicContact CG-CB 4.29Å |
| 249 | N | 76.8 | Confident | 79.4 | Confident | 135 Ų | 135 | 75.3 Ų | 75.3 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.4 | -32.8 | 178.4 | -67.7 | -21.1 | 0 | 0 | 0 | 112.4 | D245 L246 F247 | D245-N249 PolarHBondContact O-N 2.83Å; D245-N249 PolarHBondContact O-ND2 2.86Å; L246-N249 PolarHBondContact O-N 3.42Å; L246-N249 VanDerWaalsContact O-N 3.15Å; F247-N249 VanDerWaalsContact C-N 3.29Å; F247-N249 PolarHBondContact O-N 3.16Å |
| 250 | V | 73.3 | Confident | 79.7 | Confident | 110 Ų | 110 | 69.2 Ų | 69.2 | 67% | 0.667 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -80.6 | -45.1 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | L246 F247 K248 | L246-V250 WeakPolarHBondContact O-CG2 3.38Å; L246-V250 PolarHBondContact O-N 2.61Å; L246-V250 VanDerWaalsContact O-N 3.15Å; F247-V250 PolarHBondContact O-N 3.18Å; F247-V250 VanDerWaalsContact O-N 3.16Å; K248-V250 VanDerWaalsContact C-N 3.31Å; K248-V250 PolarHBondContact O-N 3.18Å |
| 251 | M | 70.2 | Confident | 79.9 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -103.7 | -7.5 | -167.7 | -60.6 | -62.1 | -70 | 0 | 0 | 113.8 | F247 F253 | F247-M251 HydrophobicContact CD1-CB 3.83Å; F247-M251 HydrophobicContact CD1-CG 3.83Å; F247-M251 HydrophobicContact CD2-CG 4.28Å; F247-M251 HydrophobicContact CE1-CB 3.54Å; F247-M251 HydrophobicContact CE1-CG 3.51Å; F247-M251 HydrophobicContact CE2-CG 3.95Å; F247-M251 HydrophobicContact CG-CG 4.25Å; F247-M251 HydrophobicContact CZ-CB 4.11Å; F247-M251 HydrophobicContact CZ-CG 3.58Å; F247-M251 WeakPolarHBondContact O-CB 3.34Å; F247-M251 PolarHBondContact O-N 3.47Å; M251-F253 VanDerWaalsContact C-N 3.27Å; M251-F253 HydrophobicContact CB-CD1 4.38Å; M251-F253 HydrophobicContact CB-CE1 4.13Å; M251-F253 WeakPolarHBondContact O-CD1 3.4Å; M251-F253 PolarHBondContact O-N 2.66Å |
| 252 | G | 66.8 | Low | 79.9 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 69% | 0.691 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 80.6 | -3.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K248 | K248-G252 CarbonylContact O-C 3.38Å; K248-G252 WeakPolarHBondContact O-CA 3.47Å; K248-G252 PolarHBondContact O-N 2.93Å |
| 253 | F | 70.8 | Confident | 79.6 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 31% | 0.307 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -145.1 | 146.4 | 175.3 | 65.7 | -86.2 | 0 | 0 | 0 | 110.9 | L139 A185 F247 K248 M251 | L139-F253 HydrophobicContact CD2-CD1 4.35Å; L139-F253 HydrophobicContact CD2-CE1 3.89Å; L139-F253 HydrophobicContact CD2-CZ 4.36Å; A185-F253 HydrophobicContact CB-CB 3.94Å; F247-F253 WeakPolarHBondContact CD1-O 3.41Å; F247-F253 HydrophobicContact CE1-CE2 4.01Å; F247-F253 HydrophobicContact CE1-CZ 4.13Å; K248-F253 WeakPolarHBondContact CA-O 3.27Å; M251-F253 VanDerWaalsContact C-N 3.27Å; M251-F253 HydrophobicContact CB-CD1 4.38Å; M251-F253 HydrophobicContact CB-CE1 4.13Å; M251-F253 WeakPolarHBondContact O-CD1 3.4Å; M251-F253 PolarHBondContact O-N 2.66Å |
| 254 | A | 72.1 | Confident | 79.8 | Confident | 7 Ų | 7 | 74 Ų | 74 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | trans | -82.1 | 136.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L189 Q244 K248 C256 | L189-A254 HydrophobicContact CD1-CB 3.49Å; L189-A254 VanDerWaalsContact CD1-CB 3.49Å; L189-A254 HydrophobicContact CD2-CB 4.27Å; Q244-A254 HydrophobicContact CG-CB 3.55Å; K248-A254 HydrophobicContact CB-CB 3.96Å; K248-A254 HydrophobicContact CD-CB 4.13Å; K248-A254 HydrophobicContact CG-CB 4.29Å; A254-C256 PolarHBondContact O-N 2.83Å | ||
| 255 | P | 77.6 | Confident | 80.3 | Confident | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | trans | -66.6 | 127.5 | 177.5 | 27.2 | -33.1 | 0 | 0 | 0 | 109.1 | Q244 F247 L257 | Q244-P255 HydrophobicContact CG-CG 4.22Å; Q244-P255 PolarHBondContact NE2-O 3.45Å; F247-P255 HydrophobicContact CB-CG 4.24Å; F247-P255 HydrophobicContact CD1-CB 4.48Å; F247-P255 VanDerWaalsContact CD1-CD 3.48Å; F247-P255 HydrophobicContact CD1-CG 4.07Å; F247-P255 HydrophobicContact CG-CG 4.11Å; P255-L257 PolarHBondContact O-N 3.25Å | ||
| 256 | C | 81.6 | Confident | 80.9 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | trans | -85.9 | 106.6 | 174.4 | -166.5 | 0 | 0 | 0 | 0 | 108.7 | I109 S188 L189 A254 F258 | I109-C256 VanDerWaalsContact CD1-SG 3.52Å; S188-C256 PolarHBondContact OG-SG 3.13Å; L189-C256 HydrophobicContact CD2-CB 4.09Å; A254-C256 PolarHBondContact O-N 2.83Å; C256-F258 WeakPolarHBondContact O-CD1 3.36Å | ||
| 257 | L | 85.1 | Confident | 81.5 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | trans | -84.6 | 142.9 | 172.6 | -61.1 | -171.6 | 0 | 0 | 0 | 109.8 | V232 F234 P255 | V232-L257 HydrophobicContact CB-CB 3.98Å; V232-L257 HydrophobicContact CG2-CB 4.4Å; V232-L257 PolarHBondContact N-O 2.92Å; F234-L257 HydrophobicContact CE2-CD1 3.55Å; F234-L257 HydrophobicContact CE2-CG 4.28Å; F234-L257 HydrophobicContact CZ-CD1 3.38Å; P255-L257 PolarHBondContact O-N 3.25Å | ||
| 258 | F | 90.1 | Very high | 82.2 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.6 | -174.6 | 60.1 | -95.4 | 0 | 0 | 0 | 111.4 | L25 I109 M110 F229 Q230 C256 L265 | L25-F258 HydrophobicContact CD1-CZ 4.06Å; L25-F258 HydrophobicContact CD2-CE1 4.21Å; L25-F258 HydrophobicContact CD2-CZ 4.24Å; I109-F258 HydrophobicContact CG1-CB 4.47Å; I109-F258 HydrophobicContact CG2-CB 4.12Å; I109-F258 HydrophobicContact CG2-CD1 3.39Å; I109-F258 HydrophobicContact CG2-CE1 3.87Å; I109-F258 HydrophobicContact CG2-CG 3.85Å; M110-F258 HydrophobicContact SD-CZ 4.12Å; F229-F258 HydrophobicContact CB-CB 4.23Å; F229-F258 AromaticContact CD1-CD2 3.39Å; F229-F258 HydrophobicContact CD1-CD2 3.39Å; F229-F258 AromaticContact CD1-CE2 3.75Å; F229-F258 HydrophobicContact CD1-CE2 3.75Å; F229-F258 HydrophobicContact CD1-CG 4.18Å; F229-F258 AromaticContact CE1-CD2 3.68Å; F229-F258 HydrophobicContact CE1-CD2 3.68Å; F229-F258 AromaticContact CE1-CE2 3.48Å; F229-F258 HydrophobicContact CE1-CE2 3.48Å; F229-F258 VanDerWaalsContact CE1-CE2 3.48Å; F229-F258 HydrophobicContact CE1-CZ 4.3Å; F229-F258 HydrophobicContact CG-CD2 4.14Å; F229-F258 HydrophobicContact CZ-CE2 4.25Å; Q230-F258 CarbonylContact O-C 3.47Å; Q230-F258 WeakPolarHBondContact O-CA 3.31Å; C256-F258 WeakPolarHBondContact O-CD1 3.36Å; F258-L265 HydrophobicContact CE2-CD2 4.31Å |
| 259 | V | 89.1 | Confident | 82.8 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.6 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | Q230 V232 A264 | Q230-V259 PolarHBondContact N-O 3.45Å; Q230-V259 PolarHBondContact O-N 2.82Å; V232-V259 HydrophobicContact CG2-CG2 3.8Å; V259-A264 HydrophobicContact CG1-CB 4.26Å |
| 260 | G | 88.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | trans | -96.8 | -166.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A264 L266 | G260-A264 PolarHBondContact N-O 3.47Å; G260-L266 CarbonylContact C-O 3.25Å; G260-L266 VanDerWaalsContact CA-O 3.24Å; G260-L266 WeakPolarHBondContact CA-O 3.36Å | ||
| 261 | E | 84.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 63 Ų | 63 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -71.4 | -96.6 | 175.5 | -65.7 | 179.8 | -170.5 | 0 | 0 | 111.6 | A264 L266 F268 R269 | E261-A264 PolarHBondContact O-N 3.21Å; E261-L266 PolarHBondContact N-O 3Å; E261-F268 HydrophobicContact CB-CD1 4.44Å; E261-F268 HydrophobicContact CB-CE1 4.44Å; E261-F268 HydrophobicContact CG-CB 4.3Å; E261-F268 HydrophobicContact CG-CD1 3.1Å; E261-F268 HydrophobicContact CG-CE1 3.4Å; E261-F268 HydrophobicContact CG-CG 3.8Å; E261-F268 HydrophobicContact CG-CZ 4.3Å; E261-F268 VanDerWaalsContact OE1-CA 3.26Å; E261-F268 WeakPolarHBondContact OE1-CA 3.45Å; E261-F268 WeakPolarHBondContact OE1-CD1 3.2Å; E261-R269 PolarHBondContact OE1-N 2.95Å |
| 262 | R | 81.9 | Confident | 86.2 | Confident | 169 Ų | 169 | 58.1 Ų | 58.1 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -74.7 | 136 | -172.2 | -59.4 | -177.8 | -175.3 | -170.6 | 0.8 | 110.4 | A264 L265 L266 | R262-A264 PolarHBondContact O-N 3.41Å; R262-L265 PolarHBondContact O-N 3.36Å; R262-L266 HydrophobicContact CB-CB 4.26Å; R262-L266 HydrophobicContact CB-CD2 4.14Å; R262-L266 HydrophobicContact CG-CD2 4.37Å; R262-L266 WeakPolarHBondContact O-CB 3.26Å; R262-L266 PolarHBondContact O-N 2.87Å; R262-L266 VanDerWaalsContact O-N 3.14Å |
| 263 | F | 76.8 | Confident | 87.7 | Confident | 184 Ų | 184 | 55.9 Ų | 55.9 | 81% | 0.807 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | 53.8 | 21.2 | -176.1 | -50.5 | -75.1 | 0 | 0 | 0 | 113.8 | L265 | F263-L265 PolarHBondContact O-N 2.99Š|
| 264 | A | 85.6 | Confident | 89 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | 57.3 | -1.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | V259 G260 E261 R262 | V259-A264 HydrophobicContact CG1-CB 4.26Å; G260-A264 PolarHBondContact N-O 3.47Å; E261-A264 PolarHBondContact O-N 3.21Å; R262-A264 PolarHBondContact O-N 3.41Å |
| 265 | L | 90.3 | Very high | 90.3 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -26 | -178.8 | -65.7 | 178.6 | 0 | 0 | 0 | 112.9 | L18 V21 L22 L25 F26 F258 R262 F263 P267 | L18-L265 HydrophobicContact CD1-CB 4.33Å; V21-L265 HydrophobicContact CG1-CB 4.48Å; L22-L265 HydrophobicContact CD2-CD1 4.21Å; L25-L265 HydrophobicContact CD1-CD2 4.01Å; F26-L265 HydrophobicContact CE2-CD1 4.44Å; F258-L265 HydrophobicContact CE2-CD2 4.31Å; R262-L265 PolarHBondContact O-N 3.36Å; F263-L265 PolarHBondContact O-N 2.99Å; L265-P267 WeakPolarHBondContact O-CD 3.3Å |
| 266 | L | 93.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -73.5 | 123.3 | 179.6 | -173.6 | 70.7 | 0 | 0 | 0 | 109.4 | A14 V17 L18 Y83 G260 E261 R262 | A14-L266 HydrophobicContact CB-CD1 4.34Å; A14-L266 HydrophobicContact CB-CD2 4.09Å; A14-L266 WeakPolarHBondContact O-CD1 3.22Å; V17-L266 HydrophobicContact CB-CD1 4.27Å; V17-L266 HydrophobicContact CG1-CD1 4.23Å; L18-L266 HydrophobicContact CB-CD1 4.3Å; Y83-L266 HydrophobicContact CE2-CD1 4.31Å; Y83-L266 HydrophobicContact CE2-CD2 4.36Å; Y83-L266 WeakPolarHBondContact OH-CD2 3.46Å; Y83-L266 VanDerWaalsContact OH-CG 3.31Å; Y83-L266 WeakPolarHBondContact OH-CG 3.28Å; G260-L266 CarbonylContact C-O 3.25Å; G260-L266 VanDerWaalsContact CA-O 3.24Å; G260-L266 WeakPolarHBondContact CA-O 3.36Å; E261-L266 PolarHBondContact N-O 3Å; R262-L266 HydrophobicContact CB-CB 4.26Å; R262-L266 HydrophobicContact CB-CD2 4.14Å; R262-L266 HydrophobicContact CG-CD2 4.37Å; R262-L266 WeakPolarHBondContact O-CB 3.26Å; R262-L266 PolarHBondContact O-N 2.87Å; R262-L266 VanDerWaalsContact O-N 3.14Å |
| 267 | P | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 156.7 | -176.1 | -18.1 | 33.5 | 0 | 0 | 0 | 112.3 | V17 V21 Y83 F84 L228 F229 L265 | V17-P267 HydrophobicContact CG1-CG 3.54Å; V21-P267 HydrophobicContact CG2-CG 3.85Å; Y83-P267 WeakPolarHBondContact CE1-O 3.31Å; Y83-P267 PolarHBondContact OH-O 3.16Å; F84-P267 HydrophobicContact CE1-CB 3.73Å; F84-P267 HydrophobicContact CE1-CG 4.42Å; F84-P267 HydrophobicContact CZ-CB 3.65Å; F84-P267 HydrophobicContact CZ-CG 3.83Å; L228-P267 HydrophobicContact CB-CB 4.48Å; L228-P267 CarbonylContact O-C 3.58Å; L228-P267 VanDerWaalsContact O-CA 3.3Å; L228-P267 WeakPolarHBondContact O-CA 3.49Å; L228-P267 WeakPolarHBondContact O-CB 3.36Å; F229-P267 HydrophobicContact CD1-CB 4.29Å; F229-P267 HydrophobicContact CE1-CB 3.76Å; F229-P267 HydrophobicContact CE1-CG 3.58Å; F229-P267 HydrophobicContact CE2-CB 4.07Å; F229-P267 HydrophobicContact CE2-CG 4.09Å; F229-P267 HydrophobicContact CZ-CB 3.69Å; F229-P267 HydrophobicContact CZ-CG 3.33Å; L265-P267 WeakPolarHBondContact O-CD 3.3Å |
| 268 | F | 95.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 139.5 | 175.2 | -65 | -85.2 | 0 | 0 | 0 | 111.6 | L228 Q230 E261 K270 | L228-F268 WeakPolarHBondContact O-CD2 3.48Å; L228-F268 PolarHBondContact O-N 3.49Å; Q230-F268 HydrophobicContact CB-CE2 4.4Å; E261-F268 HydrophobicContact CB-CD1 4.44Å; E261-F268 HydrophobicContact CB-CE1 4.44Å; E261-F268 HydrophobicContact CG-CB 4.3Å; E261-F268 HydrophobicContact CG-CD1 3.1Å; E261-F268 HydrophobicContact CG-CE1 3.4Å; E261-F268 HydrophobicContact CG-CG 3.8Å; E261-F268 HydrophobicContact CG-CZ 4.3Å; E261-F268 VanDerWaalsContact OE1-CA 3.26Å; E261-F268 WeakPolarHBondContact OE1-CA 3.45Å; E261-F268 WeakPolarHBondContact OE1-CD1 3.2Å; F268-K270 VanDerWaalsContact C-N 3.33Å; F268-K270 HydrophobicContact CB-CG 4.07Å; F268-K270 PolarHBondContact O-N 3.39Å |
| 269 | R | 94.5 | Very high | 93.1 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | trans | -75.1 | 83 | 177.2 | -74.3 | -174.5 | -179.8 | -122.2 | -2.4 | 110.9 | E10 E13 Y83 E261 | E10-R269 PolarHBondContact O-NH2 2.93Å; E13-R269 IonicContact OE2-CZ 2.62Å; E13-R269 IonicContact OE2-NH1 2.64Å; E13-R269 PolarHBondContact OE2-NH1 3.41Å; E13-R269 IonicContact OE2-NH2 2.74Å; Y83-R269 HydrophobicContact CD1-CG 4.16Å; Y83-R269 HydrophobicContact CD2-CG 4.2Å; Y83-R269 HydrophobicContact CE1-CB 4.43Å; Y83-R269 HydrophobicContact CE1-CG 3.59Å; Y83-R269 HydrophobicContact CE2-CG 3.64Å; Y83-R269 VanDerWaalsContact CE2-CZ 3.48Å; Y83-R269 VanDerWaalsContact CE2-NE 3.25Å; Y83-R269 HydrophobicContact CG-CG 4.44Å; Y83-R269 WeakPolarHBondContact OH-CG 3.41Å; E261-R269 PolarHBondContact OE1-N 2.95Å | ||
| 270 | K | 95.6 | Very high | 93.6 | Very high | 92 Ų | 92 | 47.5 Ų | 47.5 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | trans | -121 | 142.9 | 179.1 | -59.2 | -70.1 | -175 | 173.3 | 0 | 111.2 | F84 E227 L228 F268 | F84-K270 CarbonylContact C-O 3.44Å; F84-K270 WeakPolarHBondContact CA-O 3.23Å; E227-K270 HydrophobicContact CB-CB 4.12Å; E227-K270 HydrophobicContact CB-CD 4.49Å; E227-K270 HydrophobicContact CB-CG 3.85Å; L228-K270 HydrophobicContact CD2-CB 3.95Å; F268-K270 VanDerWaalsContact C-N 3.33Å; F268-K270 HydrophobicContact CB-CG 4.07Å; F268-K270 PolarHBondContact O-N 3.39Å | ||
| 271 | P | 97.1 | Very high | 94.1 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | trans | -65.6 | 135.5 | 176.4 | 26.3 | -31.7 | 0 | 0 | 0 | 110.8 | F84 P85 | F84-P271 CarbonylContact O-C 3.58Å; F84-P271 WeakPolarHBondContact O-CA 3.38Å; P85-P271 HydrophobicContact CG-CB 4.47Å | ||
| 272 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -115 | 125.7 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | F84 V86 K87 F223 L228 | F84-V272 HydrophobicContact CB-CG2 4.21Å; F84-V272 PolarHBondContact O-N 3.33Å; V86-V272 CarbonylContact C-O 3.49Å; V86-V272 VanDerWaalsContact CA-O 3.28Å; V86-V272 WeakPolarHBondContact CA-O 3.42Å; V86-V272 HydrophobicContact CG1-CB 4.45Å; V86-V272 HydrophobicContact CG2-CB 4.34Å; K87-V272 PolarHBondContact N-O 2.86Å; F223-V272 VanDerWaalsContact O-CA 3.29Å; F223-V272 WeakPolarHBondContact O-CA 3.26Å; L228-V272 HydrophobicContact CD1-CG2 4Å; L228-V272 HydrophobicContact CD2-CG2 3.85Å; L228-V272 HydrophobicContact CG-CG2 4.34Å | ||
| 273 | T | 98.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 109.1 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 110 | K87 V89 S222 F223 V275 | K87-T273 HydrophobicContact CB-CG2 4.26Å; V89-T273 HydrophobicContact CG2-CG2 3.68Å; S222-T273 CarbonylContact C-O 3.54Å; S222-T273 WeakPolarHBondContact CA-O 3.16Å; F223-T273 PolarHBondContact N-O 3.27Å; F223-T273 PolarHBondContact O-N 3.4Å; T273-V275 HydrophobicContact CG2-CG2 4.19Å |
| 274 | T | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.6 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 109.4 | K87 L88 V89 C117 F118 V220 Y221 S222 | K87-T274 PolarHBondContact O-N 3.17Å; L88-T274 CarbonylContact C-O 3.49Å; L88-T274 WeakPolarHBondContact CA-O 3.44Å; L88-T274 HydrophobicContact CD1-CG2 4.36Å; V89-T274 PolarHBondContact N-O 3.06Å; C117-T274 HydrophobicContact CB-CG2 4.38Å; F118-T274 HydrophobicContact CE2-CG2 3.96Å; F118-T274 HydrophobicContact CZ-CG2 3.86Å; V220-T274 HydrophobicContact CG1-CG2 3.54Å; Y221-T274 CarbonylContact O-C 3.58Å; Y221-T274 WeakPolarHBondContact O-CA 3.41Å; S222-T274 WeakPolarHBondContact OG-CG2 3.23Å; S222-T274 PolarHBondContact OG-OG1 3.42Å |
| 275 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.8 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | V89 T91 V220 Y221 F223 T273 L307 H311 | V89-V275 HydrophobicContact CB-CB 4.4Å; V89-V275 HydrophobicContact CB-CG1 4.23Å; V89-V275 HydrophobicContact CB-CG2 4.12Å; V89-V275 HydrophobicContact CG1-CG1 4.13Å; T91-V275 HydrophobicContact CG2-CG1 3.66Å; V220-V275 VanDerWaalsContact CA-O 3.31Å; V220-V275 WeakPolarHBondContact CA-O 3.41Å; Y221-V275 PolarHBondContact N-O 3.34Å; Y221-V275 PolarHBondContact O-N 3.46Å; F223-V275 HydrophobicContact CD2-CG2 4.03Å; F223-V275 HydrophobicContact CE2-CG2 3.81Å; T273-V275 HydrophobicContact CG2-CG2 4.19Å; V275-L307 HydrophobicContact CG1-CD1 3.78Å; V275-L307 HydrophobicContact CG1-CG 4.27Å; V275-H311 HydrophobicContact CG2-CB 4.19Å |
| 276 | V | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | L88 V89 T91 L102 F118 F129 V218 V220 | L88-V276 HydrophobicContact CD1-CG2 3.68Å; V89-V276 PolarHBondContact O-N 3.22Å; T91-V276 WeakPolarHBondContact CG2-O 3.47Å; T91-V276 PolarHBondContact N-O 2.9Å; T91-V276 VanDerWaalsContact N-O 3.1Å; T91-V276 PolarHBondContact OG1-O 3.08Å; L102-V276 HydrophobicContact CD2-CG1 4.48Å; F118-V276 HydrophobicContact CE1-CG2 4.13Å; F118-V276 HydrophobicContact CZ-CG2 4.02Å; F129-V276 HydrophobicContact CE1-CG1 4.47Å; F129-V276 HydrophobicContact CE2-CB 4.4Å; F129-V276 HydrophobicContact CE2-CG1 4.4Å; F129-V276 HydrophobicContact CE2-CG2 4.25Å; F129-V276 HydrophobicContact CZ-CB 3.92Å; F129-V276 HydrophobicContact CZ-CG1 3.79Å; F129-V276 HydrophobicContact CZ-CG2 4.27Å; V218-V276 HydrophobicContact CG1-CG1 3.74Å; V220-V276 HydrophobicContact CG1-CG2 4.44Å; V220-V276 HydrophobicContact CG2-CB 4.44Å; V220-V276 HydrophobicContact CG2-CG1 4.27Å; V220-V276 HydrophobicContact CG2-CG2 4.17Å |
| 277 | G | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -73.8 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T91 V218 P219 | T91-G277 WeakPolarHBondContact OG1-CA 3.26Å; V218-G277 VanDerWaalsContact CG1-O 3.28Å; V218-G277 WeakPolarHBondContact CG1-O 3.42Å; P219-G277 WeakPolarHBondContact O-CA 3.39Å; P219-G277 PolarHBondContact O-N 3.28Å | ||
| 278 | S | 98.3 | Very high | 97.5 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | trans | -73.8 | 143 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | T91 | T91-S278 PolarHBondContact OG1-N 3.44Š| ||
| 279 | P | 98.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | trans | -67.6 | 138.4 | 177.5 | 28.5 | -34.1 | 0 | 0 | 0 | 111.3 | L94 Y100 D216 L217 V218 P281 | L94-P279 HydrophobicContact CD2-CB 4.24Å; L94-P279 HydrophobicContact CD2-CG 4.19Å; Y100-P279 HydrophobicContact CD1-CB 4.41Å; Y100-P279 HydrophobicContact CE1-CB 3.98Å; D216-P279 HydrophobicContact CB-CB 4.12Å; L217-P279 CarbonylContact O-C 3.49Å; L217-P279 WeakPolarHBondContact O-CA 3.49Å; V218-P279 HydrophobicContact CG2-CB 4.06Å; P279-P281 WeakPolarHBondContact O-CD 3.27Å | ||
| 280 | I | 98.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -97.5 | 107.2 | 169.8 | -59.6 | 160.4 | 0 | 0 | 0 | 106.5 | D216 L217 V282 Y296 L299 Y300 A303 | D216-I280 WeakPolarHBondContact CA-O 3.31Å; L217-I280 HydrophobicContact CB-CB 4.24Å; L217-I280 PolarHBondContact N-O 3.27Å; L217-I280 PolarHBondContact O-N 3.34Å; I280-V282 PolarHBondContact O-N 2.83Å; I280-Y296 HydrophobicContact CG2-CD1 4.18Å; I280-Y296 HydrophobicContact CG2-CE1 4.41Å; I280-L299 HydrophobicContact CG2-CB 4.49Å; I280-Y300 HydrophobicContact CD1-CD2 4.21Å; I280-A303 HydrophobicContact CD1-CB 3.81Å; I280-A303 HydrophobicContact CG1-CB 4.44Å |
| 281 | P | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | trans | -64.9 | 133.5 | 179.4 | -21.1 | 34.5 | 0 | 0 | 0 | 111 | D216 P279 Y296 | D216-P281 WeakPolarHBondContact OD1-CA 3.38Å; P279-P281 WeakPolarHBondContact O-CD 3.27Å; P281-Y296 WeakPolarHBondContact O-CE1 3.48Å | ||
| 282 | V | 98.2 | Very high | 98 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | trans | -123.2 | 142.2 | 176.6 | -52 | 0 | 0 | 0 | 0 | 110.4 | A210 L211 A215 L217 I280 Y296 | A210-V282 HydrophobicContact CB-CG2 4.37Å; L211-V282 HydrophobicContact CD2-CB 3.96Å; A215-V282 WeakPolarHBondContact O-CG2 3.47Å; L217-V282 HydrophobicContact CD1-CG1 4Å; L217-V282 HydrophobicContact CG-CG1 4.11Å; I280-V282 PolarHBondContact O-N 2.83Å; V282-Y296 HydrophobicContact CB-CD1 4.38Å; V282-Y296 HydrophobicContact CB-CE1 4.18Å; V282-Y296 HydrophobicContact CG1-CD1 3.57Å; V282-Y296 HydrophobicContact CG1-CE1 3.74Å; V282-Y296 HydrophobicContact CG1-CG 4.16Å | ||
| 283 | P | 97.5 | Very high | 98 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 40% | 0.403 | 29% | 0.292 | S | S | . | . | trans | -70 | 151 | 172.3 | 30.9 | -35.9 | 0 | 0 | 0 | 109.6 | L211 C285 Y296 | L211-P283 HydrophobicContact CD2-CG 4.18Å; P283-C285 PolarHBondContact O-N 3.11Å; P283-Y296 VanDerWaalsContact CD-CZ 3.45Å; P283-Y296 WeakPolarHBondContact CD-OH 2.99Å; P283-Y296 HydrophobicContact CG-CE2 4.26Å | ||
| 284 | K | 97.4 | Very high | 98 | Very high | 149 Ų | 149 | 54 Ų | 54 | 65% | 0.648 | 30% | 0.301 | S | S | * | . | trans | -77.2 | 114.7 | 166.6 | -173.5 | 176.9 | 176.1 | -174.7 | 0 | 109.1 | L211 | L211-K284 CarbonylContact O-C 3.59Å; L211-K284 WeakPolarHBondContact O-CA 3.43Å | ||
| 285 | C | 97.2 | Very high | 98 | Very high | 32 Ų | 32 | 59 Ų | 59 | 22% | 0.216 | 32% | 0.324 | C | S | . | . | trans | -129.7 | 110.9 | 175.2 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | L211 E212 P283 T287 P288 | L211-C285 CarbonylContact C-O 3.52Å; L211-C285 PolarHBondContact O-N 3.11Å; E212-C285 VanDerWaalsContact CA-O 3.23Å; E212-C285 WeakPolarHBondContact CA-O 3.44Å; E212-C285 PolarHBondContact N-O 3.46Å; P283-C285 PolarHBondContact O-N 3.11Å; C285-T287 PolarHBondContact O-N 3.06Å; C285-P288 HydrophobicContact CB-CB 4.37Å; C285-P288 WeakPolarHBondContact O-CD 3.42Å | ||
| 286 | V | 94.5 | Very high | 98 | Very high | 110 Ų | 110 | 61 Ų | 61 | 67% | 0.667 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -61.8 | -32.6 | -174 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 287 | T | 96.9 | Very high | 98 | Very high | 120 Ų | 120 | 61 Ų | 61 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -131 | 77.3 | 179.9 | -47.4 | 0 | 0 | 0 | 0 | 108.3 | C285 | C285-T287 PolarHBondContact O-N 3.06Š|
| 288 | P | 97.4 | Very high | 98 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | trans | -69.5 | 137.1 | -176.9 | 30.7 | -34.8 | 0 | 0 | 0 | 110.6 | R208 L211 E212 C285 V293 | R208-P288 HydrophobicContact CG-CG 3.71Å; R208-P288 PolarHBondContact NH1-O 3.3Å; L211-P288 HydrophobicContact CB-CB 3.88Å; L211-P288 HydrophobicContact CB-CG 4.06Å; L211-P288 HydrophobicContact CD1-CB 3.88Å; L211-P288 HydrophobicContact CG-CB 4.48Å; E212-P288 HydrophobicContact CG-CG 4.26Å; C285-P288 HydrophobicContact CB-CB 4.37Å; C285-P288 WeakPolarHBondContact O-CD 3.42Å; P288-V293 HydrophobicContact CB-CG2 4.13Å; P288-V293 HydrophobicContact CG-CG2 4.23Å | ||
| 289 | T | 98.2 | Very high | 98 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | trans | -72.2 | 161.9 | 175 | 80.4 | 0 | 0 | 0 | 0 | 110.7 | E291 Q292 V293 | T289-E291 VanDerWaalsContact C-N 3.25Å; T289-E291 WeakPolarHBondContact CB-OE2 3.33Å; T289-E291 PolarHBondContact O-N 3.06Å; T289-E291 PolarHBondContact OG1-N 2.9Å; T289-E291 PolarHBondContact OG1-OE2 3.4Å; T289-Q292 PolarHBondContact O-N 3.14Å; T289-Q292 PolarHBondContact OG1-N 3.42Å; T289-V293 WeakPolarHBondContact O-CG2 3.36Å; T289-V293 PolarHBondContact O-N 2.8Å | ||
| 290 | E | 98.1 | Very high | 98 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 176.5 | -64.6 | -50.7 | 132.8 | 0 | 0 | 111.7 | R208 Q292 V293 D294 | R208-E290 IonicContact CZ-OE1 2.79Å; R208-E290 IonicContact CZ-OE2 3.92Å; R208-E290 IonicContact NH1-OE1 3.56Å; R208-E290 PolarHBondContact NH1-OE1 2.87Å; R208-E290 IonicContact NH1-OE2 2.78Å; R208-E290 IonicContact NH2-OE1 2.62Å; R208-E290 PolarHBondContact NH2-OE1 3.42Å; R208-E290 IonicContact NH2-OE2 3.5Å; R208-E290 PolarHBondContact NH2-OE2 3.24Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; E290-Q292 PolarHBondContact O-N 3.42Å; E290-V293 PolarHBondContact O-N 2.89Å; E290-D294 VanDerWaalsContact O-CB 3.31Å; E290-D294 WeakPolarHBondContact O-CB 3.33Å; E290-D294 VanDerWaalsContact O-CG 3.24Å; E290-D294 PolarHBondContact O-N 2.8Å |
| 291 | E | 98.3 | Very high | 98 | Very high | 138 Ų | 138 | 62.3 Ų | 62.3 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 177.8 | -56.5 | 75.4 | -162 | 0 | 0 | 111.5 | T289 D294 H295 | T289-E291 VanDerWaalsContact C-N 3.25Å; T289-E291 WeakPolarHBondContact CB-OE2 3.33Å; T289-E291 PolarHBondContact O-N 3.06Å; T289-E291 PolarHBondContact OG1-N 2.9Å; T289-E291 PolarHBondContact OG1-OE2 3.4Å; E291-D294 PolarHBondContact O-N 3.06Å; E291-H295 VanDerWaalsContact O-CB 3.3Å; E291-H295 WeakPolarHBondContact O-CB 3.21Å; E291-H295 PolarHBondContact O-N 2.85Å |
| 292 | Q | 98.1 | Very high | 98 | Very high | 74 Ų | 74 | 64 Ų | 64 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.8 | -69.6 | 178.3 | -38.6 | 0 | 0 | 111.2 | L211 T289 E290 D294 H295 Y296 | L211-Q292 HydrophobicContact CD1-CB 4.47Å; T289-Q292 PolarHBondContact O-N 3.14Å; T289-Q292 PolarHBondContact OG1-N 3.42Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; E290-Q292 PolarHBondContact O-N 3.42Å; Q292-D294 VanDerWaalsContact C-N 3.32Å; Q292-D294 PolarHBondContact O-N 2.74Å; Q292-H295 PolarHBondContact O-N 2.88Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.46Å; Q292-Y296 PolarHBondContact O-N 3.41Å; Q292-Y296 VanDerWaalsContact O-N 3.14Å |
| 293 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | K204 V207 R208 L211 P288 T289 E290 Y296 H297 | K204-V293 HydrophobicContact CB-CG1 3.78Å; K204-V293 HydrophobicContact CD-CG1 4.34Å; K204-V293 HydrophobicContact CG-CG1 4.45Å; V207-V293 HydrophobicContact CB-CG1 4.32Å; V207-V293 HydrophobicContact CG1-CG1 4.16Å; V207-V293 WeakPolarHBondContact CG1-O 3.18Å; R208-V293 HydrophobicContact CB-CG2 4.09Å; R208-V293 HydrophobicContact CG-CG2 4.18Å; L211-V293 HydrophobicContact CD1-CG2 3.91Å; P288-V293 HydrophobicContact CB-CG2 4.13Å; P288-V293 HydrophobicContact CG-CG2 4.23Å; T289-V293 WeakPolarHBondContact O-CG2 3.36Å; T289-V293 PolarHBondContact O-N 2.8Å; E290-V293 PolarHBondContact O-N 2.89Å; V293-Y296 PolarHBondContact O-N 2.89Å; V293-H297 WeakPolarHBondContact O-CB 3.25Å; V293-H297 PolarHBondContact O-N 3.22Å |
| 294 | D | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | -178.6 | -76.2 | 10.7 | 0 | 0 | 0 | 112.3 | K204 E290 E291 Q292 H297 T298 | K204-D294 VanDerWaalsContact CD-OD1 3.23Å; K204-D294 WeakPolarHBondContact CD-OD1 3.24Å; K204-D294 WeakPolarHBondContact CE-OD1 3.45Å; K204-D294 IonicContact NZ-OD1 2.76Å; K204-D294 PolarHBondContact NZ-OD1 3.17Å; K204-D294 IonicContact NZ-OD2 3.54Å; K204-D294 PolarHBondContact NZ-OD2 2.64Å; E290-D294 VanDerWaalsContact O-CB 3.31Å; E290-D294 WeakPolarHBondContact O-CB 3.33Å; E290-D294 VanDerWaalsContact O-CG 3.24Å; E290-D294 PolarHBondContact O-N 2.8Å; E291-D294 PolarHBondContact O-N 3.06Å; Q292-D294 VanDerWaalsContact C-N 3.32Å; Q292-D294 PolarHBondContact O-N 2.74Å; D294-H297 PolarHBondContact O-N 3.31Å; D294-T298 WeakPolarHBondContact O-CB 3.24Å; D294-T298 PolarHBondContact O-N 3.37Å; D294-T298 PolarHBondContact O-OG1 2.85Å |
| 295 | H | 98.6 | Very high | 98.1 | Very high | 106 Ų | 106 | 57 Ų | 57 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.3 | -53.8 | 173.6 | 176.7 | 67.2 | 0 | 0 | 0 | 111.5 | E291 Q292 H297 T298 L299 | E291-H295 VanDerWaalsContact O-CB 3.3Å; E291-H295 WeakPolarHBondContact O-CB 3.21Å; E291-H295 PolarHBondContact O-N 2.85Å; Q292-H295 PolarHBondContact O-N 2.88Å; H295-H297 VanDerWaalsContact C-N 3.35Å; H295-H297 PolarHBondContact O-N 3.43Å; H295-T298 WeakPolarHBondContact O-CB 3.16Å; H295-T298 PolarHBondContact O-N 3.42Å; H295-L299 WeakPolarHBondContact O-CG 3.37Å; H295-L299 PolarHBondContact O-N 2.93Å |
| 296 | Y | 98.8 | Very high | 98.2 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 16% | 0.161 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.5 | -30 | -179.6 | -80.8 | -73.9 | 0 | 0 | 0 | 113.4 | L211 I280 P281 V282 P283 Q292 V293 L299 Y300 | L211-Y296 HydrophobicContact CD1-CD2 4.2Å; L211-Y296 HydrophobicContact CD2-CD2 3.64Å; L211-Y296 HydrophobicContact CD2-CE2 3.81Å; L211-Y296 HydrophobicContact CD2-CG 4.33Å; L211-Y296 HydrophobicContact CG-CD2 4.39Å; I280-Y296 HydrophobicContact CG2-CD1 4.18Å; I280-Y296 HydrophobicContact CG2-CE1 4.41Å; P281-Y296 WeakPolarHBondContact O-CE1 3.48Å; V282-Y296 HydrophobicContact CB-CD1 4.38Å; V282-Y296 HydrophobicContact CB-CE1 4.18Å; V282-Y296 HydrophobicContact CG1-CD1 3.57Å; V282-Y296 HydrophobicContact CG1-CE1 3.74Å; V282-Y296 HydrophobicContact CG1-CG 4.16Å; P283-Y296 VanDerWaalsContact CD-CZ 3.45Å; P283-Y296 WeakPolarHBondContact CD-OH 2.99Å; P283-Y296 HydrophobicContact CG-CE2 4.26Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.46Å; Q292-Y296 PolarHBondContact O-N 3.41Å; Q292-Y296 VanDerWaalsContact O-N 3.14Å; V293-Y296 PolarHBondContact O-N 2.89Å; Y296-L299 HydrophobicContact CD1-CD1 4.02Å; Y296-L299 HydrophobicContact CE1-CD1 4.17Å; Y296-Y300 WeakPolarHBondContact O-CB 3.5Å; Y296-Y300 PolarHBondContact O-N 3.17Å |
| 297 | H | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 172.1 | -176.6 | -111.9 | 0 | 0 | 0 | 111 | M200 K201 K204 V207 V293 D294 H295 Y300 M301 | M200-H297 PolarHBondContact O-CE1 2.81Å; M200-H297 PolarHBondContact O-NE2 2.86Å; K201-H297 PolarHBondContact O-CE1 3.47Å; K201-H297 VanDerWaalsContact O-CE1 3.31Å; K204-H297 HydrophobicContact CG-CB 4.43Å; V207-H297 HydrophobicContact CG1-CB 4.46Å; V207-H297 HydrophobicContact CG2-CB 4.05Å; V293-H297 WeakPolarHBondContact O-CB 3.25Å; V293-H297 PolarHBondContact O-N 3.22Å; D294-H297 PolarHBondContact O-N 3.31Å; H295-H297 VanDerWaalsContact C-N 3.35Å; H295-H297 PolarHBondContact O-N 3.43Å; H297-Y300 WeakPolarHBondContact O-CB 3.44Å; H297-Y300 PolarHBondContact O-N 3.25Å; H297-M301 VanDerWaalsContact CE1-SD 3.53Å; H297-M301 VanDerWaalsContact O-CG 3.31Å; H297-M301 WeakPolarHBondContact O-CG 3.45Å; H297-M301 PolarHBondContact O-N 3.46Å |
| 298 | T | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 174 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | D294 H295 Y300 M301 E302 | D294-T298 WeakPolarHBondContact O-CB 3.24Å; D294-T298 PolarHBondContact O-N 3.37Å; D294-T298 PolarHBondContact O-OG1 2.85Å; H295-T298 WeakPolarHBondContact O-CB 3.16Å; H295-T298 PolarHBondContact O-N 3.42Å; T298-Y300 VanDerWaalsContact C-N 3.26Å; T298-Y300 PolarHBondContact O-N 3.43Å; T298-M301 PolarHBondContact O-N 3.13Å; T298-M301 VanDerWaalsContact O-N 3.1Å; T298-E302 HydrophobicContact CG2-CG 4.49Å; T298-E302 WeakPolarHBondContact O-CG 3.36Å; T298-E302 PolarHBondContact O-N 3.16Å |
| 299 | L | 98.7 | Very high | 98.5 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 29% | 0.293 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57 | -40.5 | 175.6 | -68.9 | 177.3 | 0 | 0 | 0 | 112.2 | I280 H295 Y296 A303 | I280-L299 HydrophobicContact CG2-CB 4.49Å; H295-L299 WeakPolarHBondContact O-CG 3.37Å; H295-L299 PolarHBondContact O-N 2.93Å; Y296-L299 HydrophobicContact CD1-CD1 4.02Å; Y296-L299 HydrophobicContact CE1-CD1 4.17Å; L299-A303 VanDerWaalsContact O-CB 3.31Å; L299-A303 WeakPolarHBondContact O-CB 3.12Å; L299-A303 PolarHBondContact O-N 3.35Å |
| 300 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.1 | -178.1 | -82.1 | 0 | 0 | 0 | 112.2 | G103 H105 M200 F206 L217 P219 I280 Y296 H297 T298 A303 L304 | G103-Y300 WeakPolarHBondContact CA-OH 3.24Å; G103-Y300 PolarHBondContact O-OH 3.23Å; H105-Y300 PolarHBondContact CD2-OH 2.88Å; H105-Y300 AromaticContact NE2-CE1 3.7Å; H105-Y300 AromaticContact NE2-CZ 3.83Å; H105-Y300 PolarHBondContact NE2-OH 3.1Å; M200-Y300 HydrophobicContact CE-CD1 4.42Å; M200-Y300 HydrophobicContact CE-CE1 4.38Å; M200-Y300 HydrophobicContact SD-CD1 3.52Å; M200-Y300 VanDerWaalsContact SD-CD1 3.52Å; M200-Y300 HydrophobicContact SD-CE1 3.31Å; M200-Y300 WeakPolarHBondContact SD-CE1 3.4Å; F206-Y300 HydrophobicContact CE2-CD1 4.24Å; F206-Y300 AromaticContact CE2-CD2 3.89Å; F206-Y300 HydrophobicContact CE2-CD2 3.89Å; F206-Y300 HydrophobicContact CE2-CE1 4.24Å; F206-Y300 AromaticContact CE2-CE2 3.8Å; F206-Y300 HydrophobicContact CE2-CE2 3.8Å; F206-Y300 HydrophobicContact CE2-CG 4.08Å; F206-Y300 AromaticContact CZ-CD1 3.75Å; F206-Y300 HydrophobicContact CZ-CD1 3.75Å; F206-Y300 HydrophobicContact CZ-CD2 4.23Å; F206-Y300 AromaticContact CZ-CE1 3.86Å; F206-Y300 HydrophobicContact CZ-CE1 3.86Å; F206-Y300 HydrophobicContact CZ-CE2 4.25Å; F206-Y300 AromaticContact CZ-CG 3.97Å; F206-Y300 HydrophobicContact CZ-CG 3.97Å; L217-Y300 HydrophobicContact CB-CD2 3.96Å; P219-Y300 WeakPolarHBondContact CA-OH 3.42Å; P219-Y300 HydrophobicContact CB-CE2 4.06Å; I280-Y300 HydrophobicContact CD1-CD2 4.21Å; Y296-Y300 WeakPolarHBondContact O-CB 3.5Å; Y296-Y300 PolarHBondContact O-N 3.17Å; H297-Y300 WeakPolarHBondContact O-CB 3.44Å; H297-Y300 PolarHBondContact O-N 3.25Å; T298-Y300 VanDerWaalsContact C-N 3.26Å; T298-Y300 PolarHBondContact O-N 3.43Å; Y300-A303 PolarHBondContact O-N 3.09Å; Y300-L304 WeakPolarHBondContact O-CB 3.3Å; Y300-L304 PolarHBondContact O-N 2.92Å |
| 301 | M | 98.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 178.3 | -67.2 | -165.5 | -72.1 | 0 | 0 | 111.5 | M200 H297 T298 A303 L304 V305 I325 | M200-M301 HydrophobicContact CE-CB 4.2Å; M200-M301 HydrophobicContact CE-CG 3.57Å; M200-M301 HydrophobicContact CE-SD 4.36Å; M200-M301 HydrophobicContact SD-CG 4.26Å; H297-M301 VanDerWaalsContact CE1-SD 3.53Å; H297-M301 VanDerWaalsContact O-CG 3.31Å; H297-M301 WeakPolarHBondContact O-CG 3.45Å; H297-M301 PolarHBondContact O-N 3.46Å; T298-M301 PolarHBondContact O-N 3.13Å; T298-M301 VanDerWaalsContact O-N 3.1Å; M301-A303 PolarHBondContact O-N 3.21Å; M301-L304 PolarHBondContact O-N 3.34Å; M301-V305 WeakPolarHBondContact O-CG2 3.35Å; M301-V305 PolarHBondContact O-N 2.81Å; M301-I325 HydrophobicContact CB-CD1 4.07Å; M301-I325 HydrophobicContact CG-CD1 4.39Å; M301-I325 HydrophobicContact SD-CG2 4.11Å |
| 302 | E | 98.5 | Very high | 98.4 | Very high | 117 Ų | 117 | 48 Ų | 48 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 176.3 | -70.8 | 173.5 | 175.9 | 0 | 0 | 111.6 | T298 L304 V305 K306 | T298-E302 HydrophobicContact CG2-CG 4.49Å; T298-E302 WeakPolarHBondContact O-CG 3.36Å; T298-E302 PolarHBondContact O-N 3.16Å; E302-L304 PolarHBondContact O-N 2.85Å; E302-V305 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact O-CB 3.49Å; E302-K306 PolarHBondContact O-N 3.19Å |
| 303 | A | 98.6 | Very high | 98.4 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P219 I280 L299 Y300 M301 L307 | P219-A303 HydrophobicContact CG-CB 3.98Å; I280-A303 HydrophobicContact CD1-CB 3.81Å; I280-A303 HydrophobicContact CG1-CB 4.44Å; L299-A303 VanDerWaalsContact O-CB 3.31Å; L299-A303 WeakPolarHBondContact O-CB 3.12Å; L299-A303 PolarHBondContact O-N 3.35Å; Y300-A303 PolarHBondContact O-N 3.09Å; M301-A303 PolarHBondContact O-N 3.21Å; A303-L307 VanDerWaalsContact O-CB 3.29Å; A303-L307 WeakPolarHBondContact O-CB 3.33Å; A303-L307 PolarHBondContact O-N 2.96Å |
| 304 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 175.3 | -176 | 68.1 | 0 | 0 | 0 | 111.9 | H105 V198 M200 P219 Y221 Y300 M301 E302 K306 L307 F308 L323 | H105-L304 HydrophobicContact CB-CD1 4.48Å; H105-L304 HydrophobicContact CB-CD2 4.45Å; V198-L304 HydrophobicContact CG2-CD2 4.32Å; M200-L304 HydrophobicContact CE-CD2 3.45Å; M200-L304 VanDerWaalsContact CE-CD2 3.45Å; M200-L304 HydrophobicContact SD-CD2 4.1Å; P219-L304 HydrophobicContact CB-CB 4.09Å; P219-L304 HydrophobicContact CB-CD1 3.92Å; Y221-L304 HydrophobicContact CD2-CD1 4.2Å; Y300-L304 WeakPolarHBondContact O-CB 3.3Å; Y300-L304 PolarHBondContact O-N 2.92Å; M301-L304 PolarHBondContact O-N 3.34Å; E302-L304 PolarHBondContact O-N 2.85Å; L304-K306 VanDerWaalsContact C-N 3.35Å; L304-L307 PolarHBondContact O-N 3.3Å; L304-F308 WeakPolarHBondContact O-CB 3.36Å; L304-F308 PolarHBondContact O-N 3.41Å; L304-L323 HydrophobicContact CD2-CD2 4.15Å; L304-L323 HydrophobicContact CG-CD2 3.96Å |
| 305 | V | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | M301 E302 F308 H309 L323 I325 | M301-V305 WeakPolarHBondContact O-CG2 3.35Å; M301-V305 PolarHBondContact O-N 2.81Å; E302-V305 PolarHBondContact O-N 3.24Å; V305-F308 WeakPolarHBondContact O-CB 3.34Å; V305-F308 PolarHBondContact O-N 2.82Å; V305-H309 PolarHBondContact O-CD2 3.48Å; V305-H309 PolarHBondContact O-N 3.15Å; V305-L323 HydrophobicContact CG2-CD2 4.1Å; V305-I325 HydrophobicContact CG2-CD1 3.65Å |
| 306 | K | 98.3 | Very high | 97.9 | Very high | 126 Ų | 126 | 50 Ų | 50 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.8 | -51.5 | 175.6 | -179.5 | 178 | 172.6 | -179.4 | 0 | 111.5 | E302 L304 F308 H309 E310 | E302-K306 WeakPolarHBondContact O-CB 3.49Å; E302-K306 PolarHBondContact O-N 3.19Å; L304-K306 VanDerWaalsContact C-N 3.35Å; K306-F308 VanDerWaalsContact C-N 3.27Å; K306-F308 PolarHBondContact O-N 3.16Å; K306-H309 PolarHBondContact O-N 3.38Å; K306-H309 VanDerWaalsContact O-N 3.11Å; K306-E310 WeakPolarHBondContact CE-OE1 3.49Å; K306-E310 HydrophobicContact CG-CG 4.34Å; K306-E310 IonicContact NZ-OE1 2.77Å; K306-E310 WeakPolarHBondContact O-CG 3.48Å; K306-E310 PolarHBondContact O-N 2.96Å |
| 307 | L | 98.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -42.9 | 178.1 | -172 | 71.8 | 0 | 0 | 0 | 111.7 | T91 P219 V275 A303 L304 H311 | T91-L307 HydrophobicContact CG2-CD1 3.92Å; P219-L307 HydrophobicContact CB-CD2 4.36Å; P219-L307 HydrophobicContact CG-CD2 4.47Å; P219-L307 WeakPolarHBondContact O-CD2 3.4Å; V275-L307 HydrophobicContact CG1-CD1 3.78Å; V275-L307 HydrophobicContact CG1-CG 4.27Å; A303-L307 VanDerWaalsContact O-CB 3.29Å; A303-L307 WeakPolarHBondContact O-CB 3.33Å; A303-L307 PolarHBondContact O-N 2.96Å; L304-L307 PolarHBondContact O-N 3.3Å; L307-H311 PolarHBondContact O-CD2 2.87Å; L307-H311 VanDerWaalsContact O-CD2 3.3Å; L307-H311 PolarHBondContact O-N 2.93Å |
| 308 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 175.7 | 175.3 | -94 | 0 | 0 | 0 | 111.5 | N196 Y221 F223 L304 V305 K306 E310 H311 K312 L317 H321 L323 | N196-F308 HydrophobicContact CB-CE2 3.85Å; N196-F308 HydrophobicContact CB-CZ 3.9Å; Y221-F308 HydrophobicContact CD1-CD2 4.02Å; Y221-F308 HydrophobicContact CD2-CD2 4.31Å; Y221-F308 AromaticContact CE1-CD2 3.55Å; Y221-F308 HydrophobicContact CE1-CD2 3.55Å; Y221-F308 AromaticContact CE1-CE2 3.82Å; Y221-F308 HydrophobicContact CE1-CE2 3.82Å; Y221-F308 AromaticContact CE2-CD2 3.88Å; Y221-F308 HydrophobicContact CE2-CD2 3.88Å; Y221-F308 HydrophobicContact CE2-CE2 4.44Å; Y221-F308 HydrophobicContact CG-CD2 4.38Å; Y221-F308 AromaticContact CZ-CD2 3.47Å; Y221-F308 VanDerWaalsContact CZ-CD2 3.47Å; Y221-F308 AromaticContact CZ-CE2 3.68Å; Y221-F308 WeakPolarHBondContact OH-CE2 3.41Å; F223-F308 HydrophobicContact CD1-CE2 4.34Å; F223-F308 AromaticContact CE1-CD2 3.55Å; F223-F308 HydrophobicContact CE1-CD2 3.55Å; F223-F308 AromaticContact CE1-CE2 3.65Å; F223-F308 HydrophobicContact CE1-CE2 3.65Å; F223-F308 HydrophobicContact CE1-CG 4.41Å; F223-F308 AromaticContact CZ-CD2 3.99Å; F223-F308 HydrophobicContact CZ-CD2 3.99Å; L304-F308 WeakPolarHBondContact O-CB 3.36Å; L304-F308 PolarHBondContact O-N 3.41Å; V305-F308 WeakPolarHBondContact O-CB 3.34Å; V305-F308 PolarHBondContact O-N 2.82Å; K306-F308 VanDerWaalsContact C-N 3.27Å; K306-F308 PolarHBondContact O-N 3.16Å; F308-E310 PolarHBondContact O-N 3.15Å; F308-H311 PolarHBondContact O-N 3.48Å; F308-K312 HydrophobicContact CD1-CD 4.31Å; F308-K312 HydrophobicContact CE1-CB 4.3Å; F308-K312 HydrophobicContact CE1-CD 3.81Å; F308-K312 HydrophobicContact CZ-CB 4.28Å; F308-K312 HydrophobicContact CZ-CD 4.4Å; F308-K312 VanDerWaalsContact O-CB 3.29Å; F308-K312 WeakPolarHBondContact O-CB 3.46Å; F308-K312 PolarHBondContact O-N 3.21Å; F308-L317 HydrophobicContact CE2-CD1 3.93Å; F308-L317 HydrophobicContact CZ-CD1 3.93Å; F308-H321 HydrophobicContact CZ-CB 4.45Å; F308-L323 HydrophobicContact CB-CB 4.3Å; F308-L323 HydrophobicContact CB-CD2 4.07Å; F308-L323 HydrophobicContact CD1-CB 3.73Å; F308-L323 HydrophobicContact CD2-CB 4.34Å; F308-L323 HydrophobicContact CD2-CD1 4.4Å; F308-L323 HydrophobicContact CE1-CB 4.1Å; F308-L323 HydrophobicContact CG-CB 3.86Å; F308-L323 HydrophobicContact CG-CD2 4.4Å |
| 309 | H | 98.2 | Very high | 97.3 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | -175.9 | -81.3 | -71.2 | 0 | 0 | 0 | 113.5 | V305 K306 H311 K312 | V305-H309 PolarHBondContact O-CD2 3.48Å; V305-H309 PolarHBondContact O-N 3.15Å; K306-H309 PolarHBondContact O-N 3.38Å; K306-H309 VanDerWaalsContact O-N 3.11Å; H309-H311 VanDerWaalsContact C-N 3.34Å; H309-K312 PolarHBondContact ND1-NZ 3.43Å |
| 310 | E | 98 | Very high | 97 | Very high | 117 Ų | 117 | 58.7 Ų | 58.7 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -33.8 | 178 | -73.3 | 175.5 | 164.1 | 0 | 0 | 112.6 | K306 F308 | K306-E310 WeakPolarHBondContact CE-OE1 3.49Å; K306-E310 HydrophobicContact CG-CG 4.34Å; K306-E310 IonicContact NZ-OE1 2.77Å; K306-E310 WeakPolarHBondContact O-CG 3.48Å; K306-E310 PolarHBondContact O-N 2.96Å; F308-E310 PolarHBondContact O-N 3.15Å |
| 311 | H | 98.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 17% | 0.167 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -106.7 | -17.6 | -171.1 | -70.5 | -81.8 | 0 | 0 | 0 | 115 | F223 V275 L307 F308 H309 V313 S314 C315 | F223-H311 HydrophobicContact CE2-CB 3.64Å; F223-H311 HydrophobicContact CZ-CB 3.83Å; V275-H311 HydrophobicContact CG2-CB 4.19Å; L307-H311 PolarHBondContact O-CD2 2.87Å; L307-H311 VanDerWaalsContact O-CD2 3.3Å; L307-H311 PolarHBondContact O-N 2.93Å; F308-H311 PolarHBondContact O-N 3.48Å; H309-H311 VanDerWaalsContact C-N 3.34Å; H311-V313 VanDerWaalsContact C-N 3.33Å; H311-V313 PolarHBondContact O-N 2.96Å; H311-S314 PolarHBondContact O-N 3.47Å; H311-S314 PolarHBondContact O-OG 2.94Å; H311-C315 PolarHBondContact O-N 3.38Å; H311-C315 VanDerWaalsContact O-N 3.08Å; H311-C315 PolarHBondContact O-SG 2.94Å; H311-C315 VanDerWaalsContact O-SG 3.36Å |
| 312 | K | 97.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 67 Ų | 67 | 7% | 0.065 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -43.2 | -172.3 | 66.8 | 179.7 | 176 | 170.9 | 0 | 114.3 | F223 F308 H309 C315 G316 L317 E319 H321 | F223-K312 HydrophobicContact CE1-CB 3.81Å; F223-K312 HydrophobicContact CZ-CB 4.37Å; F308-K312 HydrophobicContact CD1-CD 4.31Å; F308-K312 HydrophobicContact CE1-CB 4.3Å; F308-K312 HydrophobicContact CE1-CD 3.81Å; F308-K312 HydrophobicContact CZ-CB 4.28Å; F308-K312 HydrophobicContact CZ-CD 4.4Å; F308-K312 VanDerWaalsContact O-CB 3.29Å; F308-K312 WeakPolarHBondContact O-CB 3.46Å; F308-K312 PolarHBondContact O-N 3.21Å; H309-K312 PolarHBondContact ND1-NZ 3.43Å; K312-C315 CarbonylContact O-C 3.59Å; K312-C315 PolarHBondContact O-N 2.71Å; K312-G316 PolarHBondContact O-N 3.37Å; K312-L317 HydrophobicContact CB-CB 4.05Å; K312-L317 HydrophobicContact CB-CD1 4.07Å; K312-L317 WeakPolarHBondContact O-CB 3.47Å; K312-L317 PolarHBondContact O-N 3.43Å; K312-E319 PolarHBondContact NZ-O 3.41Å; K312-H321 PolarHBondContact NZ-O 3.33Å |
| 313 | V | 97.4 | Very high | 96.5 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -45.9 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | H311 C315 G316 L317 E319 | H311-V313 VanDerWaalsContact C-N 3.33Å; H311-V313 PolarHBondContact O-N 2.96Å; V313-C315 PolarHBondContact O-N 3.13Å; V313-C315 VanDerWaalsContact O-N 3.17Å; V313-G316 PolarHBondContact O-N 3.38Å; V313-L317 WeakPolarHBondContact CA-O 3.4Å; V313-E319 HydrophobicContact CG2-CG 3.79Å |
| 314 | S | 96.6 | Very high | 96.4 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 67% | 0.671 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23 | 176.1 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | H311 | H311-S314 PolarHBondContact O-N 3.47Å; H311-S314 PolarHBondContact O-OG 2.94Å |
| 315 | C | 95.9 | Very high | 96.2 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 9.6 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | F223 H311 K312 V313 | F223-C315 HydrophobicContact CB-CB 3.61Å; F223-C315 HydrophobicContact CD1-CB 3.93Å; F223-C315 HydrophobicContact CD2-CB 3.82Å; F223-C315 WeakPolarHBondContact CD2-SG 3.39Å; F223-C315 HydrophobicContact CE2-CB 4.46Å; F223-C315 HydrophobicContact CG-CB 3.51Å; H311-C315 PolarHBondContact O-N 3.38Å; H311-C315 VanDerWaalsContact O-N 3.08Å; H311-C315 PolarHBondContact O-SG 2.94Å; H311-C315 VanDerWaalsContact O-SG 3.36Å; K312-C315 CarbonylContact O-C 3.59Å; K312-C315 PolarHBondContact O-N 2.71Å; V313-C315 PolarHBondContact O-N 3.13Å; V313-C315 VanDerWaalsContact O-N 3.17Å |
| 316 | G | 93.4 | Very high | 96 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 73% | 0.732 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 8.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K312 V313 | K312-G316 PolarHBondContact O-N 3.37Å; V313-G316 PolarHBondContact O-N 3.38Å |
| 317 | L | 95.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | trans | -89.7 | 152.3 | 171.2 | -59 | -179.1 | 0 | 0 | 0 | 111 | F223 F308 K312 V313 H321 | F223-L317 HydrophobicContact CD1-CD1 3.76Å; F223-L317 HydrophobicContact CD1-CG 4.45Å; F223-L317 HydrophobicContact CE1-CD1 4.03Å; F308-L317 HydrophobicContact CE2-CD1 3.93Å; F308-L317 HydrophobicContact CZ-CD1 3.93Å; K312-L317 HydrophobicContact CB-CB 4.05Å; K312-L317 HydrophobicContact CB-CD1 4.07Å; K312-L317 WeakPolarHBondContact O-CB 3.47Å; K312-L317 PolarHBondContact O-N 3.43Å; V313-L317 WeakPolarHBondContact CA-O 3.4Å; L317-H321 HydrophobicContact CB-CB 4.29Å; L317-H321 HydrophobicContact CD1-CB 4.5Å | ||
| 318 | S | 94.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -74.9 | 161.4 | 173.2 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | S320 H321 | S318-S320 PolarHBondContact O-N 3.27Å; S318-S320 PolarHBondContact OG-OG 3.48Å; S318-H321 PolarHBondContact N-ND1 2.92Å; S318-H321 PolarHBondContact O-N 3.01Å; S318-H321 VanDerWaalsContact O-N 3.12Å; S318-H321 PolarHBondContact OG-CE1 3.35Å; S318-H321 PolarHBondContact OG-ND1 3.2Å | ||
| 319 | E | 93.4 | Very high | 95.6 | Very high | 159 Ų | 159 | 73.4 Ų | 73.4 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.4 | 173.9 | -68.7 | -167.6 | 169.5 | 0 | 0 | 113.6 | K312 V313 H321 | K312-E319 PolarHBondContact NZ-O 3.41Å; V313-E319 HydrophobicContact CG2-CG 3.79Å; E319-H321 VanDerWaalsContact C-N 3.29Å; E319-H321 PolarHBondContact O-N 3.14Å |
| 320 | S | 93.2 | Very high | 95.4 | Very high | 98 Ų | 98 | 73.1 Ų | 73.1 | 69% | 0.685 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.2 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | S318 | S318-S320 PolarHBondContact O-N 3.27Å; S318-S320 PolarHBondContact OG-OG 3.48Å |
| 321 | H | 93.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 70.4 Ų | 70.4 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | trans | -64.4 | 137.9 | 177.7 | -74.8 | 78.1 | 0 | 0 | 0 | 111.1 | N196 F308 K312 L317 S318 E319 | N196-H321 PolarHBondContact ND2-CD2 2.93Å; F308-H321 HydrophobicContact CZ-CB 4.45Å; K312-H321 PolarHBondContact NZ-O 3.33Å; L317-H321 HydrophobicContact CB-CB 4.29Å; L317-H321 HydrophobicContact CD1-CB 4.5Å; S318-H321 PolarHBondContact N-ND1 2.92Å; S318-H321 PolarHBondContact O-N 3.01Å; S318-H321 VanDerWaalsContact O-N 3.12Å; S318-H321 PolarHBondContact OG-CE1 3.35Å; S318-H321 PolarHBondContact OG-ND1 3.2Å; E319-H321 VanDerWaalsContact C-N 3.29Å; E319-H321 PolarHBondContact O-N 3.14Å | ||
| 322 | K | 94.4 | Very high | 95.1 | Very high | 155 Ų | 155 | 72.7 Ų | 72.7 | 67% | 0.674 | 42% | 0.418 | S | S | * | . | trans | -125.2 | 153.4 | 177.5 | -65.2 | -175.9 | 179.6 | -178.9 | 0 | 110 | ||||
| 323 | L | 96.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.099 | 44% | 0.444 | C | S | . | . | trans | -86.9 | 122.8 | 170.3 | -178 | 63.2 | 0 | 0 | 0 | 109.1 | N196 V198 Y221 L304 V305 F308 I325 | N196-L323 HydrophobicContact CB-CD1 4.48Å; V198-L323 HydrophobicContact CG1-CD1 3.88Å; V198-L323 HydrophobicContact CG2-CD1 4.05Å; V198-L323 HydrophobicContact CG2-CG 4.36Å; Y221-L323 HydrophobicContact CE2-CD1 3.64Å; L304-L323 HydrophobicContact CD2-CD2 4.15Å; L304-L323 HydrophobicContact CG-CD2 3.96Å; V305-L323 HydrophobicContact CG2-CD2 4.1Å; F308-L323 HydrophobicContact CB-CB 4.3Å; F308-L323 HydrophobicContact CB-CD2 4.07Å; F308-L323 HydrophobicContact CD1-CB 3.73Å; F308-L323 HydrophobicContact CD2-CB 4.34Å; F308-L323 HydrophobicContact CD2-CD1 4.4Å; F308-L323 HydrophobicContact CE1-CB 4.1Å; F308-L323 HydrophobicContact CG-CB 3.86Å; F308-L323 HydrophobicContact CG-CD2 4.4Å; L323-I325 HydrophobicContact CD2-CG1 4.44Å; L323-I325 HydrophobicContact CG-CG1 4.39Å | ||
| 324 | E | 95.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 76.5 Ų | 76.5 | 41% | 0.407 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.1 | 173.4 | -66.8 | -179.1 | -178 | 0 | 0 | 109.8 | N196 R197 V198 | N196-E324 PolarHBondContact O-N 3.31Å; R197-E324 CarbonylContact C-O 3.59Å; R197-E324 WeakPolarHBondContact CA-O 3.23Å; R197-E324 HydrophobicContact CB-CB 4.27Å; R197-E324 HydrophobicContact CG-CB 4.2Å; R197-E324 IonicContact CZ-OE2 3.43Å; R197-E324 VanDerWaalsContact CZ-OE2 3.25Å; R197-E324 IonicContact NE-OE2 3.98Å; R197-E324 PolarHBondContact NE-OE2 3.49Å; R197-E324 IonicContact NH2-OE2 3.43Å; R197-E324 PolarHBondContact NH2-OE2 3.23Å; V198-E324 PolarHBondContact N-O 3.43Å |
| 325 | I | 95.7 | Very high | 94.6 | Very high | 45 Ų | 45 | 74.9 Ų | 74.9 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117 | 172.7 | -60.2 | 173.1 | 0 | 0 | 0 | 108.6 | V198 M200 K201 M301 V305 L323 | V198-I325 HydrophobicContact CG2-CB 4.29Å; V198-I325 HydrophobicContact CG2-CG1 3.7Å; M200-I325 HydrophobicContact CB-CG2 4.25Å; M200-I325 HydrophobicContact CE-CD1 3.75Å; M200-I325 HydrophobicContact CE-CG1 4.13Å; M200-I325 HydrophobicContact CE-CG2 4.05Å; K201-I325 HydrophobicContact CB-CG2 4.28Å; M301-I325 HydrophobicContact CB-CD1 4.07Å; M301-I325 HydrophobicContact CG-CD1 4.39Å; M301-I325 HydrophobicContact SD-CG2 4.11Å; V305-I325 HydrophobicContact CG2-CD1 3.65Å; L323-I325 HydrophobicContact CD2-CG1 4.44Å; L323-I325 HydrophobicContact CG-CG1 4.39Å |
| 326 | I | 93.3 | Very high | 94.4 | Very high | 90 Ų | 90 | 78.9 Ų | 78.9 | 46% | 0.462 | 44% | 0.44 | S | S | . | . | trans | -115.9 | 0 | 175.5 | 62 | 156.1 | 0 | 0 | 0 | 112.4 | R197 V198 V199 M200 K201 | R197-I326 HydrophobicContact CG-CD1 3.89Å; R197-I326 HydrophobicContact CG-CG1 3.74Å; R197-I326 HydrophobicContact CG-CG2 4.26Å; V198-I326 WeakPolarHBondContact O-CG1 3.14Å; V198-I326 PolarHBondContact O-N 2.95Å; V199-I326 CarbonylContact C-O 3.5Å; V199-I326 VanDerWaalsContact CA-O 3.31Å; V199-I326 WeakPolarHBondContact CA-O 3.38Å; V199-I326 HydrophobicContact CB-CG1 4.48Å; V199-I326 HydrophobicContact CG2-CD1 3.74Å; V199-I326 HydrophobicContact CG2-CG1 3.85Å; M200-I326 PolarHBondContact N-O 3.16Å; K201-I326 VanDerWaalsContact CB-C 3.47Å; K201-I326 WeakPolarHBondContact CB-O 3.43Å; K201-I326 WeakPolarHBondContact CB-OXT 3.4Å; K201-I326 PolarHBondContact N-O 3Å |
Retrieved 326 of 326 residues in 474 ms
(Link to these results)