| 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 | T | 47.8 | Very low | 65.4 | Low | 131 Ų | 131 | 115.1 Ų | 115.1 | 80% | 0.804 | 55% | 0.55 | S | S | * | . | 0 | 119.2 | 0 | 3.7 | 0 | 0 | 0 | 0 | 108 | E3 H4 | T1-E3 PolarHBondContact O-N 2.87Å; T1-H4 PolarHBondContact O-N 3.3Å; T1-H4 PolarHBondContact OG1-CD2 3.06Å | |||
| 2 | M | 42.5 | Very low | 67.9 | Low | 175 Ų | 175 | 113.3 Ų | 113.3 | 86% | 0.862 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.7 | -29.7 | -178 | -83.7 | -179.2 | 159.1 | 0 | 0 | 112.3 | K5 T6 | M2-K5 PolarHBondContact O-N 3.18Å; M2-T6 PolarHBondContact O-N 2.69Å; M2-T6 PolarHBondContact O-OG1 2.94Å |
| 3 | E | 40.9 | Very low | 69.9 | Low | 151 Ų | 151 | 105.9 Ų | 105.9 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61 | -44.4 | 176.3 | -73.2 | 169.7 | 155.4 | 0 | 0 | 113.5 | T1 K5 T6 E7 | T1-E3 PolarHBondContact O-N 2.87Å; E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.12Å; E3-T6 WeakPolarHBondContact O-CA 3.36Å; E3-T6 WeakPolarHBondContact O-CB 3.22Å; E3-T6 PolarHBondContact O-N 3.22Å; E3-E7 PolarHBondContact O-N 3.15Å |
| 4 | H | 48.5 | Very low | 71.7 | Confident | 118 Ų | 118 | 103.3 Ų | 103.3 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -24.3 | 176.7 | -77.1 | -49 | 0 | 0 | 0 | 114.2 | T1 T6 E7 K8 | T1-H4 PolarHBondContact O-N 3.3Å; T1-H4 PolarHBondContact OG1-CD2 3.06Å; H4-T6 VanDerWaalsContact C-N 3.35Å; H4-E7 IonicContact ND1-OE2 3.81Å; H4-K8 WeakPolarHBondContact O-CG 3.39Å |
| 5 | K | 50.8 | Low | 73 | Confident | 165 Ų | 165 | 104.2 Ų | 104.2 | 72% | 0.717 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77 | -26 | 170.8 | -83.8 | -170.4 | 174.5 | -172 | 0 | 111.7 | M2 E3 | M2-K5 PolarHBondContact O-N 3.18Å; E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.12Å |
| 6 | T | 57.6 | Low | 74.2 | Confident | 58 Ų | 58 | 105.9 Ų | 105.9 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -77.7 | -37.7 | 177.9 | -46.1 | 0 | 0 | 0 | 0 | 111.3 | M2 E3 H4 K8 R9 F10 | M2-T6 PolarHBondContact O-N 2.69Å; M2-T6 PolarHBondContact O-OG1 2.94Å; E3-T6 WeakPolarHBondContact O-CA 3.36Å; E3-T6 WeakPolarHBondContact O-CB 3.22Å; E3-T6 PolarHBondContact O-N 3.22Å; H4-T6 VanDerWaalsContact C-N 3.35Å; T6-K8 PolarHBondContact O-N 3.12Å; T6-R9 WeakPolarHBondContact O-CG 3.38Å; T6-F10 HydrophobicContact CG2-CE2 4.2Å; T6-F10 VanDerWaalsContact O-CD2 3.28Å; T6-F10 WeakPolarHBondContact O-CD2 3.46Å |
| 7 | E | 65.4 | Low | 75.5 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -35.4 | 176.7 | -70.6 | 176.7 | 156.5 | 0 | 0 | 112.9 | E3 H4 R9 F10 | E3-E7 PolarHBondContact O-N 3.15Å; H4-E7 IonicContact ND1-OE2 3.81Å; E7-R9 PolarHBondContact O-N 3.04Å; E7-F10 PolarHBondContact O-N 2.82Å |
| 8 | K | 84.9 | Confident | 76.5 | Confident | 124 Ų | 124 | 96.6 Ų | 96.6 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.4 | -177.4 | -76.5 | -175.4 | 166.8 | -147.6 | 0 | 115.5 | H4 T6 D216 F217 | H4-K8 WeakPolarHBondContact O-CG 3.39Å; T6-K8 PolarHBondContact O-N 3.12Å; K8-D216 IonicContact NZ-OD2 3.34Å; K8-F217 VanDerWaalsContact O-CB 3.3Å; K8-F217 WeakPolarHBondContact O-CB 3.26Å; K8-F217 PolarHBondContact O-N 2.91Å |
| 9 | R | 92 | Very high | 77.3 | Confident | 78 Ų | 78 | 96.5 Ų | 96.5 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -20.1 | -178.6 | 84.9 | 175.8 | 71.7 | 167.3 | 3.1 | 113 | T6 E7 E211 C212 G215 F217 | T6-R9 WeakPolarHBondContact O-CG 3.38Å; E7-R9 PolarHBondContact O-N 3.04Å; R9-E211 WeakPolarHBondContact CD-OE1 3.29Å; R9-E211 HydrophobicContact CG-CG 3.94Å; R9-E211 IonicContact CZ-OE1 3.39Å; R9-E211 IonicContact NE-OE1 3.4Å; R9-E211 IonicContact NH1-OE1 3.95Å; R9-E211 PolarHBondContact NH1-OE1 3.36Å; R9-E211 CarbonylContact O-C 3.59Å; R9-E211 WeakPolarHBondContact O-CA 3.46Å; R9-C212 PolarHBondContact O-N 3Å; R9-G215 VanDerWaalsContact CA-O 3.3Å; R9-G215 WeakPolarHBondContact CA-O 3.46Å; R9-G215 VanDerWaalsContact CB-O 3.27Å; R9-G215 WeakPolarHBondContact CB-O 3.4Å; R9-F217 WeakPolarHBondContact O-CD2 3.15Å |
| 10 | F | 94.2 | Very high | 78.2 | Confident | 70 Ų | 70 | 92.4 Ų | 92.4 | 31% | 0.307 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.4 | -173.5 | -68.7 | -77.4 | 0 | 0 | 0 | 110.4 | T6 E7 I183 A210 E211 | T6-F10 HydrophobicContact CG2-CE2 4.2Å; T6-F10 VanDerWaalsContact O-CD2 3.28Å; T6-F10 WeakPolarHBondContact O-CD2 3.46Å; E7-F10 PolarHBondContact O-N 2.82Å; F10-I183 HydrophobicContact CE1-CD1 4.37Å; F10-A210 VanDerWaalsContact CA-O 3.32Å; F10-A210 WeakPolarHBondContact CA-O 3.36Å; F10-E211 HydrophobicContact CD1-CB 3.97Å; F10-E211 HydrophobicContact CD1-CG 4.23Å; F10-E211 HydrophobicContact CE1-CB 3.66Å; F10-E211 HydrophobicContact CE1-CG 3.71Å; F10-E211 HydrophobicContact CZ-CB 4.45Å; F10-E211 HydrophobicContact CZ-CG 4.01Å |
| 11 | H | 94.6 | Very high | 79 | Confident | 58 Ų | 58 | 88 Ų | 88 | 27% | 0.269 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136 | 175.5 | -167.9 | 97.2 | 0 | 0 | 0 | 110.2 | A210 F217 E218 | H11-A210 PolarHBondContact N-O 3.29Å; H11-A210 PolarHBondContact O-N 3.01Å; H11-F217 HydrophobicContact CB-CD1 3.44Å; H11-F217 VanDerWaalsContact CB-CD1 3.44Å; H11-F217 HydrophobicContact CB-CD2 3.73Å; H11-F217 HydrophobicContact CB-CE1 3.39Å; H11-F217 HydrophobicContact CB-CE2 3.7Å; H11-F217 HydrophobicContact CB-CG 3.63Å; H11-F217 HydrophobicContact CB-CZ 3.54Å; H11-F217 AromaticContact CD2-CE1 3.93Å; H11-F217 AromaticContact CG-CD1 3.73Å; H11-F217 AromaticContact CG-CE1 3.51Å; H11-F217 AromaticContact ND1-CD1 3.89Å; H11-F217 AromaticContact ND1-CE1 3.98Å; H11-E218 IonicContact CE1-OE1 3.18Å; H11-E218 PolarHBondContact CE1-OE1 2.51Å; H11-E218 IonicContact ND1-OE1 3.75Å; H11-E218 PolarHBondContact ND1-OE1 3.05Å |
| 12 | N | 95.3 | Very high | 81.2 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.5 | 174.7 | -75.3 | -46.9 | 0 | 0 | 0 | 109.8 | T14 E209 | N12-T14 PolarHBondContact O-N 3.22Å; N12-E209 VanDerWaalsContact OD1-CG 3.24Å; N12-E209 WeakPolarHBondContact OD1-CG 3.24Å |
| 13 | L | 94.9 | Very high | 83.5 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 138.6 | 176.1 | -86.3 | 66.3 | 0 | 0 | 0 | 110.6 | Q17 V18 L21 V75 L76 I182 V208 A210 | L13-Q17 HydrophobicContact CB-CB 4.02Å; L13-Q17 HydrophobicContact CD2-CB 4.04Å; L13-Q17 HydrophobicContact CG-CB 3.94Å; L13-V18 HydrophobicContact CB-CG2 3.79Å; L13-L21 HydrophobicContact CD2-CD2 4.17Å; L13-V75 HydrophobicContact CD2-CG1 4.22Å; L13-L76 HydrophobicContact CD1-CD2 4.33Å; L13-L76 HydrophobicContact CG-CD2 4.32Å; L13-I182 HydrophobicContact CD1-CG2 4.21Å; L13-I182 HydrophobicContact CD2-CD1 4.35Å; L13-I182 HydrophobicContact CD2-CG2 3.98Å; L13-V208 HydrophobicContact CB-CB 4.41Å; L13-V208 HydrophobicContact CD1-CG1 4.34Å; L13-V208 HydrophobicContact CD2-CB 4.36Å; L13-V208 HydrophobicContact CD2-CG1 4.03Å; L13-V208 PolarHBondContact N-O 2.74Å; L13-A210 HydrophobicContact CD1-CB 3.68Å |
| 14 | T | 94.3 | Very high | 86 | Confident | 69 Ų | 69 | 76 Ų | 76 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -69 | 161 | 168.1 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | N12 E16 Q17 V18 | N12-T14 PolarHBondContact O-N 3.22Å; T14-E16 VanDerWaalsContact C-N 3.25Å; T14-E16 PolarHBondContact O-N 3.29Å; T14-Q17 WeakPolarHBondContact O-CB 3.41Å; T14-Q17 PolarHBondContact O-N 3.41Å; T14-Q17 VanDerWaalsContact OG1-CG 3.29Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.19Å; T14-Q17 PolarHBondContact OG1-N 3.29Å; T14-Q17 PolarHBondContact OG1-OE1 2.97Å; T14-Q17 VanDerWaalsContact OG1-OE1 3.09Å; T14-V18 WeakPolarHBondContact O-CG2 3.31Å; T14-V18 PolarHBondContact O-N 3.32Å |
| 15 | H | 91.6 | Very high | 88.2 | Confident | 117 Ų | 117 | 70.4 Ų | 70.4 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.8 | -41 | 177.7 | -176.7 | -98.2 | 0 | 0 | 0 | 113.1 | Q17 V18 Q19 | H15-Q17 VanDerWaalsContact C-N 3.32Å; H15-Q17 PolarHBondContact O-N 3.02Å; H15-V18 PolarHBondContact O-N 2.93Å; H15-Q19 PolarHBondContact CE1-NE2 3.03Å; H15-Q19 WeakPolarHBondContact O-CG 3.49Å; H15-Q19 PolarHBondContact O-N 3.49Å |
| 16 | E | 92.4 | Very high | 90.2 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66 | -33.4 | 178.2 | -63.8 | -174.7 | -179.5 | 0 | 0 | 113.3 | T14 A20 R78 | T14-E16 VanDerWaalsContact C-N 3.25Å; T14-E16 PolarHBondContact O-N 3.29Å; E16-A20 WeakPolarHBondContact O-CB 3.47Å; E16-A20 PolarHBondContact O-N 3.18Å; E16-R78 PolarHBondContact O-NH2 2.98Å |
| 17 | Q | 95.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.4 | -39.4 | 176.1 | -68.4 | 167.8 | -33.3 | 0 | 0 | 110.7 | L13 T14 H15 Q19 A20 L21 V75 L76 | L13-Q17 HydrophobicContact CB-CB 4.02Å; L13-Q17 HydrophobicContact CD2-CB 4.04Å; L13-Q17 HydrophobicContact CG-CB 3.94Å; T14-Q17 WeakPolarHBondContact O-CB 3.41Å; T14-Q17 PolarHBondContact O-N 3.41Å; T14-Q17 VanDerWaalsContact OG1-CG 3.29Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.19Å; T14-Q17 PolarHBondContact OG1-N 3.29Å; T14-Q17 PolarHBondContact OG1-OE1 2.97Å; T14-Q17 VanDerWaalsContact OG1-OE1 3.09Å; H15-Q17 VanDerWaalsContact C-N 3.32Å; H15-Q17 PolarHBondContact O-N 3.02Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-Q19 PolarHBondContact O-N 3.34Å; Q17-A20 PolarHBondContact O-N 3.21Å; Q17-L21 WeakPolarHBondContact O-CB 3.22Å; Q17-L21 PolarHBondContact O-N 2.74Å; Q17-V75 WeakPolarHBondContact CG-O 3.43Å; Q17-V75 WeakPolarHBondContact O-CG1 3.49Å; Q17-L76 PolarHBondContact NE2-O 2.65Å |
| 18 | V | 94.6 | Very high | 93 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 173 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | L13 T14 H15 A20 L21 D22 M187 V208 | L13-V18 HydrophobicContact CB-CG2 3.79Å; T14-V18 WeakPolarHBondContact O-CG2 3.31Å; T14-V18 PolarHBondContact O-N 3.32Å; H15-V18 PolarHBondContact O-N 2.93Å; V18-A20 PolarHBondContact O-N 3.23Å; V18-L21 WeakPolarHBondContact O-CB 3.21Å; V18-L21 PolarHBondContact O-N 3.48Å; V18-D22 PolarHBondContact O-N 2.8Å; V18-M187 HydrophobicContact CG1-CE 4.32Å; V18-V208 HydrophobicContact CG2-CB 4.29Å; V18-V208 HydrophobicContact CG2-CG2 4.23Å |
| 19 | Q | 92.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 56.1 Ų | 56.1 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 174.3 | -72.5 | -176 | -23.8 | 0 | 0 | 112.8 | H15 Q17 L21 D22 K23 | H15-Q19 PolarHBondContact CE1-NE2 3.03Å; H15-Q19 WeakPolarHBondContact O-CG 3.49Å; H15-Q19 PolarHBondContact O-N 3.49Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-Q19 PolarHBondContact O-N 3.34Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-D22 PolarHBondContact O-N 2.96Å; Q19-K23 PolarHBondContact O-N 3.19Å; Q19-K23 VanDerWaalsContact O-N 3.1Å |
| 20 | A | 93.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E16 Q17 V18 K23 V24 V75 | E16-A20 WeakPolarHBondContact O-CB 3.47Å; E16-A20 PolarHBondContact O-N 3.18Å; Q17-A20 PolarHBondContact O-N 3.21Å; V18-A20 PolarHBondContact O-N 3.23Å; A20-K23 PolarHBondContact O-N 3.49Å; A20-V24 WeakPolarHBondContact O-CG2 3.43Å; A20-V24 PolarHBondContact O-N 2.94Å; A20-V24 VanDerWaalsContact O-N 3.11Å; A20-V75 HydrophobicContact CB-CG1 4.43Å |
| 21 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.9 | -175.1 | 60 | 0 | 0 | 0 | 111.8 | L13 Q17 V18 Q19 K23 V24 L25 L67 V75 I182 L184 M187 V208 | L13-L21 HydrophobicContact CD2-CD2 4.17Å; Q17-L21 WeakPolarHBondContact O-CB 3.22Å; Q17-L21 PolarHBondContact O-N 2.74Å; V18-L21 WeakPolarHBondContact O-CB 3.21Å; V18-L21 PolarHBondContact O-N 3.48Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.25Å; L21-V24 WeakPolarHBondContact O-CB 3.35Å; L21-V24 PolarHBondContact O-N 3.24Å; L21-V24 VanDerWaalsContact O-N 3.11Å; L21-L25 HydrophobicContact CD1-CD1 4.34Å; L21-L25 HydrophobicContact CD1-CG 4.3Å; L21-L25 HydrophobicContact CG-CD1 4.13Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 3.11Å; L21-L67 HydrophobicContact CD1-CD2 3.52Å; L21-V75 HydrophobicContact CB-CG1 3.9Å; L21-V75 HydrophobicContact CD1-CG1 4.47Å; L21-V75 HydrophobicContact CD1-CG2 4.24Å; L21-I182 HydrophobicContact CD2-CG2 3.75Å; L21-L184 HydrophobicContact CD1-CD2 3.95Å; L21-L184 HydrophobicContact CD2-CD2 4.06Å; L21-L184 HydrophobicContact CG-CD2 4.44Å; L21-M187 HydrophobicContact CB-CE 4.36Å; L21-M187 HydrophobicContact CB-SD 4.2Å; L21-M187 HydrophobicContact CD2-SD 3.43Å; L21-M187 WeakPolarHBondContact CD2-SD 3.06Å; L21-M187 HydrophobicContact CG-CE 4.28Å; L21-M187 HydrophobicContact CG-SD 3.55Å; L21-M187 VanDerWaalsContact CG-SD 3.55Å; L21-V208 HydrophobicContact CD2-CG1 3.88Å |
| 22 | D | 93.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 177.1 | 179.9 | 72.9 | 0 | 0 | 0 | 111 | V18 Q19 V24 L25 T26 M187 Y191 | V18-D22 PolarHBondContact O-N 2.8Å; Q19-D22 PolarHBondContact O-N 2.96Å; D22-V24 VanDerWaalsContact C-N 3.32Å; D22-V24 PolarHBondContact O-N 2.87Å; D22-L25 PolarHBondContact O-N 3.44Å; D22-L25 VanDerWaalsContact O-N 3.16Å; D22-T26 WeakPolarHBondContact O-CB 3.4Å; D22-T26 VanDerWaalsContact O-CG2 3.3Å; D22-T26 WeakPolarHBondContact O-CG2 3.36Å; D22-T26 PolarHBondContact O-N 2.72Å; D22-T26 PolarHBondContact O-OG1 3.1Å; D22-M187 HydrophobicContact CB-CE 3.4Å; D22-Y191 VanDerWaalsContact OD1-CE1 3.31Å; D22-Y191 WeakPolarHBondContact OD1-CE1 3.48Å; D22-Y191 VanDerWaalsContact OD1-CZ 3.31Å; D22-Y191 PolarHBondContact OD1-OH 3.21Å |
| 23 | K | 92.1 | Very high | 92.4 | Very high | 135 Ų | 135 | 46.5 Ų | 46.5 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.8 | -44.8 | 175.7 | -172.7 | -179.5 | 179.1 | -175.9 | 0 | 111.5 | Q19 A20 L21 L25 E27 | Q19-K23 PolarHBondContact O-N 3.19Å; Q19-K23 VanDerWaalsContact O-N 3.1Å; A20-K23 PolarHBondContact O-N 3.49Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.25Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.05Å; K23-E27 WeakPolarHBondContact O-CB 3.41Å; K23-E27 PolarHBondContact O-N 3.4Å |
| 24 | V | 92.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.6 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | A20 L21 D22 L67 T71 V75 L87 | A20-V24 WeakPolarHBondContact O-CG2 3.43Å; A20-V24 PolarHBondContact O-N 2.94Å; A20-V24 VanDerWaalsContact O-N 3.11Å; L21-V24 WeakPolarHBondContact O-CB 3.35Å; L21-V24 PolarHBondContact O-N 3.24Å; L21-V24 VanDerWaalsContact O-N 3.11Å; D22-V24 VanDerWaalsContact C-N 3.32Å; D22-V24 PolarHBondContact O-N 2.87Å; V24-L67 HydrophobicContact CG1-CD2 4.43Å; V24-T71 HydrophobicContact CG1-CG2 3.66Å; V24-T71 HydrophobicContact CG2-CG2 4.22Å; V24-V75 HydrophobicContact CG2-CG2 4.02Å; V24-L87 HydrophobicContact CG1-CD1 3.76Å |
| 25 | L | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.8 | -27 | -176.3 | -66.3 | 179.1 | 0 | 0 | 0 | 113.8 | L21 D22 K23 A44 K45 I48 L184 M187 Y191 | L21-L25 HydrophobicContact CD1-CD1 4.34Å; L21-L25 HydrophobicContact CD1-CG 4.3Å; L21-L25 HydrophobicContact CG-CD1 4.13Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 3.11Å; D22-L25 PolarHBondContact O-N 3.44Å; D22-L25 VanDerWaalsContact O-N 3.16Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.05Å; L25-A44 HydrophobicContact CD2-CB 3.94Å; L25-A44 PolarHBondContact O-N 3.47Å; L25-K45 PolarHBondContact O-N 3.22Å; L25-K45 VanDerWaalsContact O-N 3.14Å; L25-I48 HydrophobicContact CD2-CD1 4.46Å; L25-L184 HydrophobicContact CD1-CD2 4.34Å; L25-L184 HydrophobicContact CD2-CD1 4.11Å; L25-M187 HydrophobicContact CD1-CE 4.47Å; L25-M187 HydrophobicContact CD1-CG 4.19Å; L25-M187 HydrophobicContact CD1-SD 3.61Å; L25-Y191 HydrophobicContact CB-CE2 4.25Å; L25-Y191 HydrophobicContact CD1-CE2 4.05Å |
| 26 | T | 93 | Very high | 91.5 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -97.5 | -16.3 | -178 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | D22 V28 R43 K45 Y191 | D22-T26 WeakPolarHBondContact O-CB 3.4Å; D22-T26 VanDerWaalsContact O-CG2 3.3Å; D22-T26 WeakPolarHBondContact O-CG2 3.36Å; D22-T26 PolarHBondContact O-N 2.72Å; D22-T26 PolarHBondContact O-OG1 3.1Å; T26-V28 PolarHBondContact O-N 3.16Å; T26-R43 WeakPolarHBondContact O-CD 3.39Å; T26-R43 WeakPolarHBondContact O-CG 3.31Å; T26-K45 HydrophobicContact CG2-CD 4.07Å; T26-Y191 HydrophobicContact CG2-CE1 4.39Å |
| 27 | E | 91.4 | Very high | 91.4 | Very high | 60 Ų | 60 | 51 Ų | 51 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -57.8 | 135.7 | 175.1 | -174.5 | 178.1 | -179.9 | 0 | 0 | 111 | K23 I29 K159 | K23-E27 WeakPolarHBondContact O-CB 3.41Å; K23-E27 PolarHBondContact O-N 3.4Å; E27-I29 PolarHBondContact O-N 2.92Å; E27-K159 IonicContact OE1-NZ 2.8Å; E27-K159 PolarHBondContact OE1-NZ 3.34Å; E27-K159 IonicContact OE2-NZ 2.72Å; E27-K159 PolarHBondContact OE2-NZ 3.4Å |
| 28 | V | 90.9 | Very high | 91.1 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.9 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 109 | T26 Q41 R43 | T26-V28 PolarHBondContact O-N 3.16Å; V28-Q41 HydrophobicContact CG1-CB 3.76Å; V28-Q41 HydrophobicContact CG1-CG 4.43Å; V28-Q41 VanDerWaalsContact CG1-OE1 3.24Å; V28-R43 HydrophobicContact CG2-CG 3.91Å |
| 29 | I | 89.7 | Confident | 91 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.1 | -179.8 | -55.5 | 167.3 | 0 | 0 | 0 | 108.5 | E27 V42 L87 K159 V161 | E27-I29 PolarHBondContact O-N 2.92Å; I29-V42 WeakPolarHBondContact CA-O 3.3Å; I29-V42 WeakPolarHBondContact CB-O 3.43Å; I29-V42 PolarHBondContact N-O 3.38Å; I29-V42 PolarHBondContact O-N 3.11Å; I29-L87 HydrophobicContact CD1-CB 4.42Å; I29-L87 HydrophobicContact CD1-CD2 3.6Å; I29-K159 HydrophobicContact CG2-CB 4.33Å; I29-V161 HydrophobicContact CD1-CG2 4.18Å; I29-V161 HydrophobicContact CG2-CG2 3.85Å |
| 30 | P | 89.8 | Confident | 90.9 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 126.6 | 174 | 28.9 | -32.4 | 0 | 0 | 0 | 110.1 | T39 L40 N155 | P30-T39 HydrophobicContact CB-CG2 3.7Å; P30-L40 CarbonylContact C-O 3.53Å; P30-L40 WeakPolarHBondContact CA-O 3.48Å; P30-N155 PolarHBondContact O-ND2 2.61Å; P30-N155 PolarHBondContact O-OD1 3.4Å |
| 31 | I | 90.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.9 | 172.9 | -51 | -176.5 | 0 | 0 | 0 | 107.8 | G33 T39 L40 V42 Y134 L153 S154 | I31-G33 PolarHBondContact O-N 3.14Å; I31-T39 CarbonylContact O-C 3.5Å; I31-T39 WeakPolarHBondContact O-CA 3.4Å; I31-L40 HydrophobicContact CB-CB 4.15Å; I31-L40 HydrophobicContact CB-CD1 4.5Å; I31-L40 PolarHBondContact N-O 3.43Å; I31-L40 PolarHBondContact O-N 3.09Å; I31-V42 HydrophobicContact CD1-CB 4.06Å; I31-V42 HydrophobicContact CD1-CG2 3.83Å; I31-V42 HydrophobicContact CG1-CB 4.5Å; I31-V42 HydrophobicContact CG1-CG2 4.28Å; I31-Y134 HydrophobicContact CG2-CD1 4.17Å; I31-L153 HydrophobicContact CD1-CB 4.4Å; I31-L153 HydrophobicContact CD1-CD1 3.67Å; I31-L153 HydrophobicContact CG2-CB 4Å; I31-S154 VanDerWaalsContact CG2-O 3.22Å; I31-S154 WeakPolarHBondContact CG2-O 3.46Å |
| 32 | H | 88.9 | Confident | 90.5 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 122.5 | -171.2 | -72 | 84.9 | 0 | 0 | 0 | 111.2 | T39 S154 N155 N156 | H32-T39 PolarHBondContact CD2-OG1 3.49Å; H32-S154 PolarHBondContact N-O 2.81Å; H32-S154 VanDerWaalsContact N-O 3.1Å; H32-N155 PolarHBondContact CE1-OD1 2.88Å; H32-N155 VanDerWaalsContact CE1-OD1 3.25Å; H32-N155 PolarHBondContact ND1-OD1 2.9Å; H32-N156 HydrophobicContact CB-CB 4.06Å; H32-N156 VanDerWaalsContact CB-CG 3.5Å; H32-N156 WeakPolarHBondContact CB-ND2 3.39Å; H32-N156 PolarHBondContact CD2-ND2 3.47Å |
| 33 | G | 89.1 | Confident | 90.4 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 140 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I31 | I31-G33 PolarHBondContact O-N 3.14Š|
| 34 | R | 88.9 | Confident | 90.5 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -76.9 | 146.4 | 171.5 | -66.9 | 179.1 | -178.5 | 166.9 | -2.2 | 111 | N36 F37 E132 A133 | R34-N36 PolarHBondContact O-N 3.21Å; R34-F37 WeakPolarHBondContact O-CD2 3.49Å; R34-F37 PolarHBondContact O-N 3.1Å; R34-E132 WeakPolarHBondContact CD-O 3.29Å; R34-A133 WeakPolarHBondContact CG-O 3.44Å; R34-A133 PolarHBondContact N-O 3.3Å |
| 35 | G | 86.6 | Confident | 90.5 | Very high | 74 Ų | 74 | 51 Ų | 51 | 76% | 0.763 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -129.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F37 | G35-F37 VanDerWaalsContact C-N 3.32Š|
| 36 | N | 86.8 | Confident | 90.4 | Very high | 171 Ų | 171 | 52.5 Ų | 52.5 | 91% | 0.914 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.7 | -177.3 | -61.6 | -29.1 | 0 | 0 | 0 | 113.5 | R34 | R34-N36 PolarHBondContact O-N 3.21Š|
| 37 | F | 89.5 | Confident | 90.4 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 136.3 | 178.3 | -79.6 | -93.4 | 0 | 0 | 0 | 110.7 | R34 G35 T129 A133 Y134 | R34-F37 WeakPolarHBondContact O-CD2 3.49Å; R34-F37 PolarHBondContact O-N 3.1Å; G35-F37 VanDerWaalsContact C-N 3.32Å; F37-T129 HydrophobicContact CE1-CG2 3.86Å; F37-T129 HydrophobicContact CE2-CG2 4.05Å; F37-T129 HydrophobicContact CZ-CG2 3.22Å; F37-A133 HydrophobicContact CB-CB 4Å; F37-A133 HydrophobicContact CD1-CB 3.75Å; F37-A133 HydrophobicContact CD2-CB 3.64Å; F37-A133 HydrophobicContact CE1-CB 4.19Å; F37-A133 HydrophobicContact CE2-CB 4.09Å; F37-A133 HydrophobicContact CG-CB 3.47Å; F37-A133 VanDerWaalsContact CG-CB 3.47Å; F37-A133 HydrophobicContact CZ-CB 4.38Å; F37-Y134 HydrophobicContact CB-CE2 4.35Å; F37-Y134 AromaticContact CD1-CE2 3.93Å; F37-Y134 HydrophobicContact CD1-CE2 3.93Å; F37-Y134 HydrophobicContact CG-CE2 4.44Å |
| 38 | P | 90.6 | Very high | 90.6 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 156.7 | -177.9 | 28.9 | -35.7 | 0 | 0 | 0 | 111.8 | L40 L116 P117 V120 Y134 | P38-L40 PolarHBondContact O-N 3.09Å; P38-L116 HydrophobicContact CG-CD2 3.96Å; P38-P117 HydrophobicContact CB-CG 4.29Å; P38-P117 HydrophobicContact CG-CG 4.38Å; P38-V120 HydrophobicContact CG-CG2 4.33Å; P38-Y134 WeakPolarHBondContact CD-OH 3.44Å; P38-Y134 VanDerWaalsContact O-CE1 3.3Å; P38-Y134 WeakPolarHBondContact O-CE1 3.42Å; P38-Y134 PolarHBondContact O-OH 2.92Å |
| 39 | T | 90.8 | Very high | 90.7 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 126.4 | 168.3 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | P30 I31 H32 | P30-T39 HydrophobicContact CB-CG2 3.7Å; I31-T39 CarbonylContact O-C 3.5Å; I31-T39 WeakPolarHBondContact O-CA 3.4Å; H32-T39 PolarHBondContact CD2-OG1 3.49Å |
| 40 | L | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.4 | 172.9 | -50.4 | 173.9 | 0 | 0 | 0 | 109.2 | P30 I31 P38 V42 L112 L116 Y134 | P30-L40 CarbonylContact C-O 3.53Å; P30-L40 WeakPolarHBondContact CA-O 3.48Å; I31-L40 HydrophobicContact CB-CB 4.15Å; I31-L40 HydrophobicContact CB-CD1 4.5Å; I31-L40 PolarHBondContact N-O 3.43Å; I31-L40 PolarHBondContact O-N 3.09Å; P38-L40 PolarHBondContact O-N 3.09Å; L40-V42 HydrophobicContact CB-CG2 3.73Å; L40-L112 HydrophobicContact CD1-CB 4.46Å; L40-L112 HydrophobicContact CD1-CD2 4.16Å; L40-L116 HydrophobicContact CD2-CD2 3.66Å; L40-L116 HydrophobicContact CD2-CG 4.17Å; L40-Y134 HydrophobicContact CD1-CD1 3.93Å; L40-Y134 HydrophobicContact CD1-CE1 3.82Å; L40-Y134 HydrophobicContact CD1-CE2 4.5Å; L40-Y134 HydrophobicContact CD1-CG 4.31Å; L40-Y134 HydrophobicContact CD2-CE1 4.23Å; L40-Y134 HydrophobicContact CG-CD1 4.18Å; L40-Y134 HydrophobicContact CG-CE1 3.61Å |
| 41 | Q | 90.3 | Very high | 91.3 | Very high | 122 Ų | 122 | 47.7 Ų | 47.7 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 105.4 | 172 | -62.9 | -64.3 | -5.1 | 0 | 0 | 107.7 | V28 | V28-Q41 HydrophobicContact CG1-CB 3.76Å; V28-Q41 HydrophobicContact CG1-CG 4.43Å; V28-Q41 VanDerWaalsContact CG1-OE1 3.24Å |
| 42 | V | 90.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.2 | -168 | -177 | 0 | 0 | 0 | 0 | 110.2 | I29 I31 L40 I47 L115 | I29-V42 WeakPolarHBondContact CA-O 3.3Å; I29-V42 WeakPolarHBondContact CB-O 3.43Å; I29-V42 PolarHBondContact N-O 3.38Å; I29-V42 PolarHBondContact O-N 3.11Å; I31-V42 HydrophobicContact CD1-CB 4.06Å; I31-V42 HydrophobicContact CD1-CG2 3.83Å; I31-V42 HydrophobicContact CG1-CB 4.5Å; I31-V42 HydrophobicContact CG1-CG2 4.28Å; L40-V42 HydrophobicContact CB-CG2 3.73Å; V42-I47 HydrophobicContact CG1-CB 3.72Å; V42-I47 HydrophobicContact CG1-CD1 4.33Å; V42-I47 HydrophobicContact CG1-CG2 3.97Å; V42-L115 HydrophobicContact CG1-CD1 3.96Å; V42-L115 HydrophobicContact CG2-CD1 3.93Å |
| 43 | R | 92.1 | Very high | 91.7 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 144.7 | 166.8 | -60.9 | 175.8 | -67 | -171.6 | 2.8 | 109.3 | T26 V28 K45 D46 I47 | T26-R43 WeakPolarHBondContact O-CD 3.39Å; T26-R43 WeakPolarHBondContact O-CG 3.31Å; V28-R43 HydrophobicContact CG2-CG 3.91Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 HydrophobicContact CB-CG 4.22Å; R43-K45 PolarHBondContact O-N 2.85Å; R43-D46 IonicContact CZ-OD1 2.74Å; R43-D46 IonicContact CZ-OD2 3.65Å; R43-D46 IonicContact NE-OD1 3.93Å; R43-D46 IonicContact NE-OD2 3.82Å; R43-D46 PolarHBondContact NE-OD2 3.27Å; R43-D46 IonicContact NH2-OD1 3.83Å; R43-D46 PolarHBondContact NH2-OD1 3.48Å; R43-D46 IonicContact NH2-OD2 3.77Å; R43-D46 PolarHBondContact NH2-OD2 3.21Å; R43-D46 PolarHBondContact O-N 3.24Å; R43-D46 VanDerWaalsContact O-N 3.1Å; R43-I47 PolarHBondContact O-N 3.34Å |
| 44 | A | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.2 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L25 D46 I47 I48 L87 | L25-A44 HydrophobicContact CD2-CB 3.94Å; L25-A44 PolarHBondContact O-N 3.47Å; A44-D46 PolarHBondContact O-N 2.88Å; A44-I47 VanDerWaalsContact O-CG2 3.22Å; A44-I47 WeakPolarHBondContact O-CG2 3.48Å; A44-I47 PolarHBondContact O-N 3.41Å; A44-I48 HydrophobicContact CB-CD1 4.36Å; A44-I48 VanDerWaalsContact O-CB 3.31Å; A44-I48 WeakPolarHBondContact O-CB 3.26Å; A44-I48 WeakPolarHBondContact O-CD1 3.49Å; A44-I48 WeakPolarHBondContact O-CG1 3.24Å; A44-I48 PolarHBondContact O-N 3.01Å; A44-L87 HydrophobicContact CB-CD2 3.5Å; A44-L87 VanDerWaalsContact CB-CD2 3.5Å |
| 45 | K | 93.2 | Very high | 92.4 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.6 | -35.3 | 178.9 | 67.9 | 177 | -175.1 | 173.1 | 0 | 113.7 | L25 T26 R43 R49 L188 Y191 | L25-K45 PolarHBondContact O-N 3.22Å; L25-K45 VanDerWaalsContact O-N 3.14Å; T26-K45 HydrophobicContact CG2-CD 4.07Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 HydrophobicContact CB-CG 4.22Å; R43-K45 PolarHBondContact O-N 2.85Å; K45-R49 WeakPolarHBondContact O-CB 3.25Å; K45-R49 PolarHBondContact O-N 2.87Å; K45-R49 VanDerWaalsContact O-N 3.09Å; K45-L188 HydrophobicContact CB-CD2 4.35Å; K45-Y191 HydrophobicContact CB-CD2 3.92Å; K45-Y191 HydrophobicContact CB-CE2 4.04Å; K45-Y191 HydrophobicContact CD-CD1 4.45Å; K45-Y191 HydrophobicContact CD-CD2 3.89Å; K45-Y191 HydrophobicContact CD-CE2 4.02Å; K45-Y191 HydrophobicContact CD-CG 4.11Å |
| 46 | D | 92.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.4 | -47.1 | -177.2 | -62.9 | -25 | 0 | 0 | 0 | 111.1 | R43 A44 I48 R49 V50 | R43-D46 IonicContact CZ-OD1 2.74Å; R43-D46 IonicContact CZ-OD2 3.65Å; R43-D46 IonicContact NE-OD1 3.93Å; R43-D46 IonicContact NE-OD2 3.82Å; R43-D46 PolarHBondContact NE-OD2 3.27Å; R43-D46 IonicContact NH2-OD1 3.83Å; R43-D46 PolarHBondContact NH2-OD1 3.48Å; R43-D46 IonicContact NH2-OD2 3.77Å; R43-D46 PolarHBondContact NH2-OD2 3.21Å; R43-D46 PolarHBondContact O-N 3.24Å; R43-D46 VanDerWaalsContact O-N 3.1Å; A44-D46 PolarHBondContact O-N 2.88Å; D46-I48 VanDerWaalsContact C-N 3.31Å; D46-I48 PolarHBondContact O-N 2.77Å; D46-R49 PolarHBondContact O-N 3.35Å; D46-V50 WeakPolarHBondContact O-CG2 3.22Å; D46-V50 PolarHBondContact O-N 3.05Å |
| 47 | I | 93.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 177.8 | -170.3 | 167.8 | 0 | 0 | 0 | 111.1 | V42 R43 A44 V50 V51 L112 L115 L153 L163 | V42-I47 HydrophobicContact CG1-CB 3.72Å; V42-I47 HydrophobicContact CG1-CD1 4.33Å; V42-I47 HydrophobicContact CG1-CG2 3.97Å; R43-I47 PolarHBondContact O-N 3.34Å; A44-I47 VanDerWaalsContact O-CG2 3.22Å; A44-I47 WeakPolarHBondContact O-CG2 3.48Å; A44-I47 PolarHBondContact O-N 3.41Å; I47-V50 PolarHBondContact O-N 2.65Å; I47-V51 HydrophobicContact CG1-CG2 4.13Å; I47-V51 WeakPolarHBondContact O-CB 3.44Å; I47-V51 VanDerWaalsContact O-CG2 3.22Å; I47-V51 WeakPolarHBondContact O-CG2 3.46Å; I47-V51 PolarHBondContact O-N 2.84Å; I47-L112 HydrophobicContact CD1-CD2 3.93Å; I47-L115 HydrophobicContact CB-CD1 4.39Å; I47-L115 HydrophobicContact CG1-CD1 4.4Å; I47-L153 HydrophobicContact CD1-CD1 4.04Å; I47-L163 HydrophobicContact CD1-CD1 3.99Å; I47-L163 HydrophobicContact CG1-CD1 4.45Å |
| 48 | I | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 176.1 | -69.1 | 167.6 | 0 | 0 | 0 | 110.6 | L25 A44 D46 V51 K52 I65 I89 F91 L184 L188 | L25-I48 HydrophobicContact CD2-CD1 4.46Å; A44-I48 HydrophobicContact CB-CD1 4.36Å; A44-I48 VanDerWaalsContact O-CB 3.31Å; A44-I48 WeakPolarHBondContact O-CB 3.26Å; A44-I48 WeakPolarHBondContact O-CD1 3.49Å; A44-I48 WeakPolarHBondContact O-CG1 3.24Å; A44-I48 PolarHBondContact O-N 3.01Å; D46-I48 VanDerWaalsContact C-N 3.31Å; D46-I48 PolarHBondContact O-N 2.77Å; I48-V51 PolarHBondContact O-N 3.47Å; I48-K52 VanDerWaalsContact O-CB 3.26Å; I48-K52 WeakPolarHBondContact O-CB 3.49Å; I48-K52 PolarHBondContact O-N 2.79Å; I48-I65 HydrophobicContact CG2-CD1 3.64Å; I48-I65 HydrophobicContact CG2-CG2 4.01Å; I48-I89 HydrophobicContact CD1-CD1 4.01Å; I48-I89 HydrophobicContact CD1-CG1 4.09Å; I48-I89 HydrophobicContact CD1-CG2 4.02Å; I48-I89 HydrophobicContact CG1-CG1 4.44Å; I48-I89 HydrophobicContact CG1-CG2 4.07Å; I48-F91 HydrophobicContact CB-CZ 4.44Å; I48-F91 HydrophobicContact CG1-CZ 4.19Å; I48-F91 HydrophobicContact CG2-CE1 4.13Å; I48-F91 HydrophobicContact CG2-CZ 4.27Å; I48-L184 HydrophobicContact CD1-CD1 4.2Å; I48-L188 HydrophobicContact CD1-CD2 4.4Å; I48-L188 HydrophobicContact CG2-CD1 3.62Å; I48-L188 HydrophobicContact CG2-CD2 4.16Å |
| 49 | R | 93.6 | Very high | 93.5 | Very high | 81 Ų | 81 | 55.7 Ų | 55.7 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.8 | -55.5 | 176.9 | -175.4 | 173 | 76.3 | -169.2 | 0.3 | 111.6 | K45 D46 V51 K52 D53 W192 D195 | K45-R49 WeakPolarHBondContact O-CB 3.25Å; K45-R49 PolarHBondContact O-N 2.87Å; K45-R49 VanDerWaalsContact O-N 3.09Å; D46-R49 PolarHBondContact O-N 3.35Å; R49-V51 VanDerWaalsContact C-N 3.31Å; R49-V51 PolarHBondContact O-N 3.36Å; R49-K52 PolarHBondContact O-N 2.91Å; R49-D53 VanDerWaalsContact O-CG 3.28Å; R49-D53 PolarHBondContact O-N 3.36Å; R49-W192 HydrophobicContact CB-CZ2 4.12Å; R49-W192 VanDerWaalsContact CD-CD1 3.44Å; R49-W192 HydrophobicContact CG-CZ2 4.28Å; R49-D195 IonicContact CZ-OD2 2.97Å; R49-D195 IonicContact NH1-OD2 3.25Å; R49-D195 PolarHBondContact NH1-OD2 2.76Å |
| 50 | V | 93.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | -175.8 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | D46 I47 R54 | D46-V50 WeakPolarHBondContact O-CG2 3.22Å; D46-V50 PolarHBondContact O-N 3.05Å; I47-V50 PolarHBondContact O-N 2.65Å; V50-R54 WeakPolarHBondContact O-CB 3.4Å; V50-R54 VanDerWaalsContact O-CG 3.3Å; V50-R54 WeakPolarHBondContact O-CG 3.22Å; V50-R54 PolarHBondContact O-N 2.93Å |
| 51 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -45.1 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | I47 I48 R49 R54 L55 F91 V107 V108 F165 | I47-V51 HydrophobicContact CG1-CG2 4.13Å; I47-V51 WeakPolarHBondContact O-CB 3.44Å; I47-V51 VanDerWaalsContact O-CG2 3.22Å; I47-V51 WeakPolarHBondContact O-CG2 3.46Å; I47-V51 PolarHBondContact O-N 2.84Å; I48-V51 PolarHBondContact O-N 3.47Å; R49-V51 VanDerWaalsContact C-N 3.31Å; R49-V51 PolarHBondContact O-N 3.36Å; V51-R54 PolarHBondContact O-N 3.45Å; V51-L55 HydrophobicContact CG1-CD1 3.95Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.32Å; V51-L55 PolarHBondContact O-N 3.43Å; V51-F91 HydrophobicContact CB-CE1 4.36Å; V51-F91 HydrophobicContact CB-CZ 4.18Å; V51-F91 HydrophobicContact CG1-CE1 3.99Å; V51-F91 HydrophobicContact CG1-CE2 4.43Å; V51-F91 HydrophobicContact CG1-CZ 3.91Å; V51-V107 HydrophobicContact CG1-CG1 4.47Å; V51-V108 HydrophobicContact CG1-CG2 4.37Å; V51-V108 HydrophobicContact CG2-CG2 4.41Å; V51-F165 HydrophobicContact CG1-CE1 3.82Å; V51-F165 HydrophobicContact CG1-CZ 3.99Å |
| 52 | K | 95.4 | Very high | 94 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -51.3 | 178.5 | -177.4 | -173.5 | -178.5 | 170.8 | 0 | 111.3 | I48 R49 R54 L55 A56 V62 I65 W192 | I48-K52 VanDerWaalsContact O-CB 3.26Å; I48-K52 WeakPolarHBondContact O-CB 3.49Å; I48-K52 PolarHBondContact O-N 2.79Å; R49-K52 PolarHBondContact O-N 2.91Å; K52-R54 VanDerWaalsContact C-N 3.29Å; K52-R54 PolarHBondContact O-N 3.3Å; K52-L55 PolarHBondContact O-N 3.32Å; K52-A56 PolarHBondContact O-N 3.31Å; K52-A56 VanDerWaalsContact O-N 3.11Å; K52-V62 HydrophobicContact CG-CB 4.42Å; K52-V62 HydrophobicContact CG-CG2 4.27Å; K52-I65 HydrophobicContact CB-CD1 4.37Å; K52-I65 HydrophobicContact CD-CD1 3.91Å; K52-I65 HydrophobicContact CG-CD1 4.31Å; K52-W192 HydrophobicContact CD-CH2 3.46Å; K52-W192 VanDerWaalsContact CD-CH2 3.46Å; K52-W192 HydrophobicContact CD-CZ2 4.3Å; K52-W192 HydrophobicContact CD-CZ3 4.1Å |
| 53 | D | 94.2 | Very high | 94.3 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | -177.9 | -65.6 | -17.4 | 0 | 0 | 0 | 110.9 | R49 A56 E57 | R49-D53 VanDerWaalsContact O-CG 3.28Å; R49-D53 PolarHBondContact O-N 3.36Å; D53-A56 WeakPolarHBondContact O-CB 3.34Å; D53-A56 PolarHBondContact O-N 3.16Å; D53-E57 WeakPolarHBondContact O-CG 3.09Å; D53-E57 PolarHBondContact O-N 3.33Å |
| 54 | R | 95.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.8 | -28.7 | 179.7 | -75.7 | -173.3 | 158.2 | -176.5 | 2.2 | 115.2 | V50 V51 K52 A56 R58 V107 G110 D114 | V50-R54 WeakPolarHBondContact O-CB 3.4Å; V50-R54 VanDerWaalsContact O-CG 3.3Å; V50-R54 WeakPolarHBondContact O-CG 3.22Å; V50-R54 PolarHBondContact O-N 2.93Å; V51-R54 PolarHBondContact O-N 3.45Å; K52-R54 VanDerWaalsContact C-N 3.29Å; K52-R54 PolarHBondContact O-N 3.3Å; R54-A56 VanDerWaalsContact C-N 3.33Å; R54-R58 VanDerWaalsContact O-CG 3.31Å; R54-R58 WeakPolarHBondContact O-CG 3.31Å; R54-R58 PolarHBondContact O-N 3.47Å; R54-V107 HydrophobicContact CB-CG1 3.53Å; R54-V107 HydrophobicContact CB-CG2 4.36Å; R54-G110 PolarHBondContact NH1-O 3.48Å; R54-D114 IonicContact CZ-OD2 3.61Å; R54-D114 IonicContact NE-OD2 2.76Å; R54-D114 IonicContact NH1-OD2 3.73Å; R54-D114 PolarHBondContact NH1-OD2 2.94Å; R54-D114 IonicContact NH2-OD1 2.89Å; R54-D114 IonicContact NH2-OD2 3.5Å; R54-D114 PolarHBondContact NH2-OD2 3Å |
| 55 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 170.2 | -74 | 174.2 | 0 | 0 | 0 | 109.8 | V51 K52 E57 R58 D59 I60 V62 V93 I104 V107 F165 | V51-L55 HydrophobicContact CG1-CD1 3.95Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.32Å; V51-L55 PolarHBondContact O-N 3.43Å; K52-L55 PolarHBondContact O-N 3.32Å; L55-E57 PolarHBondContact O-N 2.95Å; L55-R58 CarbonylContact O-C 3.52Å; L55-R58 WeakPolarHBondContact O-CA 3.35Å; L55-R58 PolarHBondContact O-N 2.95Å; L55-D59 PolarHBondContact O-N 3Å; L55-I60 CarbonylContact C-O 3.49Å; L55-I60 HydrophobicContact CB-CB 4.19Å; L55-I60 HydrophobicContact CB-CG2 4.44Å; L55-I60 HydrophobicContact CD2-CB 4.18Å; L55-I60 HydrophobicContact CD2-CD1 4.02Å; L55-I60 HydrophobicContact CD2-CG2 4.17Å; L55-I60 PolarHBondContact O-N 3.2Å; L55-V62 HydrophobicContact CB-CG2 4.14Å; L55-V62 HydrophobicContact CD1-CG2 3.79Å; L55-V93 HydrophobicContact CD1-CG1 4.32Å; L55-I104 HydrophobicContact CD2-CG1 4.05Å; L55-V107 HydrophobicContact CD2-CB 4.22Å; L55-V107 HydrophobicContact CD2-CG1 4.01Å; L55-V107 HydrophobicContact CD2-CG2 4.28Å; L55-V107 HydrophobicContact CG-CG1 4.03Å; L55-F165 HydrophobicContact CD1-CD1 4.09Å; L55-F165 HydrophobicContact CD1-CE1 3.82Å |
| 56 | A | 94.2 | Very high | 94.9 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K52 D53 R54 R58 D59 | K52-A56 PolarHBondContact O-N 3.31Å; K52-A56 VanDerWaalsContact O-N 3.11Å; D53-A56 WeakPolarHBondContact O-CB 3.34Å; D53-A56 PolarHBondContact O-N 3.16Å; R54-A56 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.48Å; A56-R58 VanDerWaalsContact O-N 3.11Å; A56-D59 PolarHBondContact O-N 3.38Å; A56-D59 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 95.2 | Very high | 95.1 | Very high | 142 Ų | 142 | 55.8 Ų | 55.8 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.6 | 172.7 | -72.7 | 173.8 | -177 | 0 | 0 | 114.1 | D53 L55 | D53-E57 WeakPolarHBondContact O-CG 3.09Å; D53-E57 PolarHBondContact O-N 3.33Å; L55-E57 PolarHBondContact O-N 2.95Å |
| 58 | R | 94.4 | Very high | 95.1 | Very high | 151 Ų | 151 | 56.1 Ų | 56.1 | 57% | 0.57 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 19.8 | -179.7 | -62.3 | -62 | -170.9 | 139 | 3.1 | 112.6 | R54 L55 A56 I60 V103 V107 | R54-R58 VanDerWaalsContact O-CG 3.31Å; R54-R58 WeakPolarHBondContact O-CG 3.31Å; R54-R58 PolarHBondContact O-N 3.47Å; L55-R58 CarbonylContact O-C 3.52Å; L55-R58 WeakPolarHBondContact O-CA 3.35Å; L55-R58 PolarHBondContact O-N 2.95Å; A56-R58 PolarHBondContact O-N 3.48Å; A56-R58 VanDerWaalsContact O-N 3.11Å; R58-I60 PolarHBondContact O-N 3.2Å; R58-V103 HydrophobicContact CB-CG1 3.69Å; R58-V103 HydrophobicContact CG-CG1 4.08Å; R58-V107 HydrophobicContact CG-CG2 4.01Å |
| 59 | D | 93.3 | Very high | 94.8 | Very high | 160 Ų | 160 | 56.9 Ų | 56.9 | 86% | 0.856 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 26.2 | 179 | -55.2 | -54.9 | 0 | 0 | 0 | 114.1 | L55 A56 | L55-D59 PolarHBondContact O-N 3Å; A56-D59 PolarHBondContact O-N 3.38Å; A56-D59 VanDerWaalsContact O-N 3.13Å |
| 60 | I | 94.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -100.9 | 106.4 | 170.8 | -60.8 | 179.1 | 0 | 0 | 0 | 108.3 | L55 R58 V62 V93 D100 V103 I104 | L55-I60 CarbonylContact C-O 3.49Å; L55-I60 HydrophobicContact CB-CB 4.19Å; L55-I60 HydrophobicContact CB-CG2 4.44Å; L55-I60 HydrophobicContact CD2-CB 4.18Å; L55-I60 HydrophobicContact CD2-CD1 4.02Å; L55-I60 HydrophobicContact CD2-CG2 4.17Å; L55-I60 PolarHBondContact O-N 3.2Å; R58-I60 PolarHBondContact O-N 3.2Å; I60-V62 PolarHBondContact O-N 3.35Å; I60-V93 HydrophobicContact CG2-CB 4.13Å; I60-V93 HydrophobicContact CG2-CG1 4.14Å; I60-D100 HydrophobicContact CD1-CB 4.3Å; I60-V103 HydrophobicContact CD1-CB 3.95Å; I60-V103 HydrophobicContact CD1-CG1 3.66Å; I60-I104 HydrophobicContact CD1-CG1 4.15Å | ||
| 61 | Q | 92.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 27% | 0.267 | S | S | * | . | trans | -72.6 | 128.7 | 178.3 | -170.9 | 176 | 4.7 | 0 | 0 | 111.1 | V93 E94 | Q61-V93 WeakPolarHBondContact O-CA 3.33Å; Q61-E94 PolarHBondContact O-N 3.05Å | ||
| 62 | V | 96.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 53 Ų | 53 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.1 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | K52 L55 I60 I65 F91 G92 V93 | K52-V62 HydrophobicContact CG-CB 4.42Å; K52-V62 HydrophobicContact CG-CG2 4.27Å; L55-V62 HydrophobicContact CB-CG2 4.14Å; L55-V62 HydrophobicContact CD1-CG2 3.79Å; I60-V62 PolarHBondContact O-N 3.35Å; V62-I65 HydrophobicContact CG1-CD1 4.14Å; V62-I65 HydrophobicContact CG1-CG1 3.72Å; V62-F91 HydrophobicContact CG1-CD1 4.22Å; V62-G92 CarbonylContact C-O 3.51Å; V62-G92 WeakPolarHBondContact CA-O 3.34Å; V62-V93 HydrophobicContact CG2-CG1 4.07Å |
| 63 | K | 95.4 | Very high | 94.3 | Very high | 121 Ų | 121 | 50.7 Ų | 50.7 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -49.9 | -180 | -71.6 | 178.8 | 170.8 | 169.2 | 0 | 111.9 | G92 E94 | K63-G92 PolarHBondContact N-O 3.2Å; K63-E94 HydrophobicContact CD-CG 4.38Å; K63-E94 WeakPolarHBondContact CE-OE1 3.47Å; K63-E94 IonicContact NZ-OE1 3.25Å; K63-E94 PolarHBondContact NZ-OE1 3.34Å |
| 64 | D | 95.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 160 | -178.9 | 61.9 | -10.6 | 0 | 0 | 0 | 110.5 | R66 G92 D185 | D64-R66 IonicContact OD2-CZ 3.21Å; D64-R66 VanDerWaalsContact OD2-CZ 3.25Å; D64-R66 IonicContact OD2-NE 3.21Å; D64-R66 PolarHBondContact OD2-NE 2.66Å; D64-R66 IonicContact OD2-NH2 3.81Å; D64-R66 PolarHBondContact OD2-NH2 2.95Å; D64-G92 PolarHBondContact O-N 2.59Å; D64-G92 VanDerWaalsContact OD1-CA 3.31Å; D64-G92 WeakPolarHBondContact OD1-CA 3.26Å; D64-D185 WeakPolarHBondContact CA-OD2 3.41Å |
| 65 | I | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.6 | 175.7 | -54 | 177 | 0 | 0 | 0 | 108.4 | I48 K52 V62 I89 I90 F91 L184 D185 L188 | I48-I65 HydrophobicContact CG2-CD1 3.64Å; I48-I65 HydrophobicContact CG2-CG2 4.01Å; K52-I65 HydrophobicContact CB-CD1 4.37Å; K52-I65 HydrophobicContact CD-CD1 3.91Å; K52-I65 HydrophobicContact CG-CD1 4.31Å; V62-I65 HydrophobicContact CG1-CD1 4.14Å; V62-I65 HydrophobicContact CG1-CG1 3.72Å; I65-I89 HydrophobicContact CG2-CG2 3.72Å; I65-I90 CarbonylContact C-O 3.59Å; I65-I90 VanDerWaalsContact CA-O 3.32Å; I65-I90 WeakPolarHBondContact CA-O 3.39Å; I65-F91 HydrophobicContact CD1-CD1 4.05Å; I65-F91 HydrophobicContact CD1-CE1 3.97Å; I65-F91 HydrophobicContact CG1-CD1 4.03Å; I65-F91 HydrophobicContact CG1-CE1 4.37Å; I65-F91 HydrophobicContact CG2-CE1 4.47Å; I65-L184 HydrophobicContact CG2-CB 4.48Å; I65-L184 HydrophobicContact CG2-CD1 4.18Å; I65-L184 WeakPolarHBondContact O-CB 3.41Å; I65-L184 PolarHBondContact O-N 3.1Å; I65-D185 PolarHBondContact N-OD1 2.79Å; I65-L188 HydrophobicContact CB-CD1 4.15Å; I65-L188 HydrophobicContact CD1-CD1 4Å; I65-L188 HydrophobicContact CG2-CD1 4.16Å |
| 66 | R | 97.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144 | -174.4 | -52.9 | 177.8 | 176.5 | -133.7 | -9.5 | 112.2 | D64 I89 I90 Q181 I182 E211 | D64-R66 IonicContact OD2-CZ 3.21Å; D64-R66 VanDerWaalsContact OD2-CZ 3.25Å; D64-R66 IonicContact OD2-NE 3.21Å; D64-R66 PolarHBondContact OD2-NE 2.66Å; D64-R66 IonicContact OD2-NH2 3.81Å; D64-R66 PolarHBondContact OD2-NH2 2.95Å; R66-I89 CarbonylContact O-C 3.56Å; R66-I89 WeakPolarHBondContact O-CA 3.33Å; R66-I90 HydrophobicContact CB-CB 4.28Å; R66-I90 PolarHBondContact N-O 3.36Å; R66-I90 PolarHBondContact O-N 3.21Å; R66-Q181 HydrophobicContact CB-CB 4.42Å; R66-I182 CarbonylContact C-O 3.59Å; R66-I182 WeakPolarHBondContact CA-O 3.39Å; R66-E211 IonicContact CZ-OE2 2.69Å; R66-E211 IonicContact NH1-OE2 3.98Å; R66-E211 PolarHBondContact NH1-OE2 3.43Å; R66-E211 IonicContact NH2-OE2 3.74Å; R66-E211 PolarHBondContact NH2-OE2 3.33Å; R66-E211 VanDerWaalsContact NH2-OE2 3.12Å |
| 67 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.7 | 164.6 | 175.4 | 66 | 0 | 0 | 0 | 108.8 | L21 V24 T71 A72 V75 L87 I89 Q181 I182 L184 | L21-L67 HydrophobicContact CD1-CD2 3.52Å; V24-L67 HydrophobicContact CG1-CD2 4.43Å; L67-T71 HydrophobicContact CD1-CG2 4.05Å; L67-T71 HydrophobicContact CD2-CG2 4.1Å; L67-A72 HydrophobicContact CG-CB 4.29Å; L67-V75 HydrophobicContact CD2-CG2 4.2Å; L67-L87 HydrophobicContact CD1-CD1 3.68Å; L67-I89 HydrophobicContact CD1-CD1 3.86Å; L67-Q181 CarbonylContact O-C 3.5Å; L67-Q181 VanDerWaalsContact O-CA 3.3Å; L67-Q181 WeakPolarHBondContact O-CA 3.36Å; L67-I182 HydrophobicContact CB-CB 4.36Å; L67-I182 HydrophobicContact CD2-CD1 4.34Å; L67-I182 PolarHBondContact N-O 3.4Å; L67-I182 PolarHBondContact O-N 3.12Å; L67-L184 HydrophobicContact CB-CD1 4.11Å; L67-L184 HydrophobicContact CB-CD2 3.93Å; L67-L184 HydrophobicContact CB-CG 4.28Å |
| 68 | N | 94.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 177.2 | -178.6 | -169 | 24.7 | 0 | 0 | 0 | 111.8 | D88 I90 R164 F180 Q181 | N68-D88 PolarHBondContact N-O 2.93Å; N68-D88 PolarHBondContact ND2-OD2 2.96Å; N68-I90 HydrophobicContact CB-CD1 3.68Å; N68-I90 HydrophobicContact CB-CG1 4.09Å; N68-R164 PolarHBondContact ND2-NH1 2.88Å; N68-F180 PolarHBondContact OD1-O 3.47Å; N68-Q181 HydrophobicContact CB-CG 4.4Å |
| 69 | G | 87.7 | Confident | 93 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 77.3 | -163.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T71 A72 S73 | G69-T71 PolarHBondContact O-N 3.2Å; G69-T71 VanDerWaalsContact O-N 3.09Å; G69-A72 PolarHBondContact O-N 3.22Å; G69-S73 PolarHBondContact O-N 3.39Å |
| 70 | A | 88.3 | Confident | 92.5 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 28% | 0.281 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.1 | -28 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S73 H74 L82 | A70-S73 PolarHBondContact O-N 2.95Å; A70-H74 WeakPolarHBondContact O-CB 3.32Å; A70-H74 PolarHBondContact O-N 3.17Å; A70-L82 HydrophobicContact CB-CB 4.19Å |
| 71 | T | 91.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | V24 L67 G69 H74 V75 D86 L87 | V24-T71 HydrophobicContact CG1-CG2 3.66Å; V24-T71 HydrophobicContact CG2-CG2 4.22Å; L67-T71 HydrophobicContact CD1-CG2 4.05Å; L67-T71 HydrophobicContact CD2-CG2 4.1Å; G69-T71 PolarHBondContact O-N 3.2Å; G69-T71 VanDerWaalsContact O-N 3.09Å; T71-H74 PolarHBondContact O-N 2.9Å; T71-V75 WeakPolarHBondContact O-CG2 3.46Å; T71-V75 PolarHBondContact O-N 2.79Å; T71-D86 PolarHBondContact OG1-O 3.33Å; T71-L87 HydrophobicContact CG2-CD1 4.37Å |
| 72 | A | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | L67 G69 H74 V75 L76 F180 I182 | L67-A72 HydrophobicContact CG-CB 4.29Å; G69-A72 PolarHBondContact O-N 3.22Å; A72-H74 VanDerWaalsContact C-N 3.27Å; A72-H74 PolarHBondContact O-N 3.49Å; A72-V75 PolarHBondContact O-N 2.97Å; A72-L76 WeakPolarHBondContact O-CG 3.44Å; A72-L76 PolarHBondContact O-N 3.11Å; A72-L76 VanDerWaalsContact O-N 3.12Å; A72-F180 HydrophobicContact CB-CB 4.3Å; A72-F180 VanDerWaalsContact CB-O 3.3Å; A72-F180 WeakPolarHBondContact CB-O 3.3Å; A72-I182 HydrophobicContact CB-CD1 4.16Å; A72-I182 HydrophobicContact CB-CG1 4.2Å |
| 73 | S | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -36 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | G69 A70 L76 V77 N80 V177 | G69-S73 PolarHBondContact O-N 3.39Å; A70-S73 PolarHBondContact O-N 2.95Å; S73-L76 PolarHBondContact O-N 3.27Å; S73-V77 PolarHBondContact O-N 2.99Å; S73-N80 PolarHBondContact O-ND2 2.88Å; S73-V177 PolarHBondContact OG-O 3.36Å |
| 74 | H | 92.8 | Very high | 88.9 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 13% | 0.125 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.6 | -36.9 | 177.1 | -179.6 | 75 | 0 | 0 | 0 | 113 | A70 T71 A72 L76 V77 R78 N80 Y84 | A70-H74 WeakPolarHBondContact O-CB 3.32Å; A70-H74 PolarHBondContact O-N 3.17Å; T71-H74 PolarHBondContact O-N 2.9Å; A72-H74 VanDerWaalsContact C-N 3.27Å; A72-H74 PolarHBondContact O-N 3.49Å; H74-L76 VanDerWaalsContact C-N 3.3Å; H74-V77 CarbonylContact O-C 3.34Å; H74-V77 VanDerWaalsContact O-C 3.25Å; H74-R78 PolarHBondContact O-N 3.28Å; H74-N80 WeakPolarHBondContact CA-ND2 3.28Å; H74-N80 PolarHBondContact N-ND2 3.42Å; H74-Y84 HydrophobicContact CB-CG 4.43Å; H74-Y84 AromaticContact CD2-CD1 3.34Å; H74-Y84 WeakPolarHBondContact CD2-CD1 3.3Å; H74-Y84 AromaticContact CD2-CE1 3.95Å; H74-Y84 AromaticContact CD2-CG 3.52Å; H74-Y84 AromaticContact CE1-CD1 3.54Å; H74-Y84 AromaticContact CE1-CE1 3.9Å; H74-Y84 AromaticContact CG-CD1 3.69Å; H74-Y84 AromaticContact CG-CG 3.88Å; H74-Y84 AromaticContact ND1-CD1 3.8Å; H74-Y84 AromaticContact NE2-CD1 3.25Å; H74-Y84 WeakPolarHBondContact NE2-CD1 3.18Å; H74-Y84 AromaticContact NE2-CE1 3.44Å; H74-Y84 WeakPolarHBondContact NE2-CE1 3.45Å; H74-Y84 AromaticContact NE2-CG 3.93Å |
| 75 | V | 94.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | L13 Q17 A20 L21 V24 L67 T71 A72 I182 | L13-V75 HydrophobicContact CD2-CG1 4.22Å; Q17-V75 WeakPolarHBondContact CG-O 3.43Å; Q17-V75 WeakPolarHBondContact O-CG1 3.49Å; A20-V75 HydrophobicContact CB-CG1 4.43Å; L21-V75 HydrophobicContact CB-CG1 3.9Å; L21-V75 HydrophobicContact CD1-CG1 4.47Å; L21-V75 HydrophobicContact CD1-CG2 4.24Å; V24-V75 HydrophobicContact CG2-CG2 4.02Å; L67-V75 HydrophobicContact CD2-CG2 4.2Å; T71-V75 WeakPolarHBondContact O-CG2 3.46Å; T71-V75 PolarHBondContact O-N 2.79Å; A72-V75 PolarHBondContact O-N 2.97Å; V75-I182 HydrophobicContact CB-CD1 3.75Å; V75-I182 HydrophobicContact CG1-CD1 3.57Å; V75-I182 HydrophobicContact CG2-CD1 4.42Å |
| 76 | L | 94.1 | Very high | 87 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.3 | -44.9 | -179.9 | -65.4 | 176.8 | 0 | 0 | 0 | 113.2 | L13 Q17 A72 S73 H74 F180 A210 F217 M221 | L13-L76 HydrophobicContact CD1-CD2 4.33Å; L13-L76 HydrophobicContact CG-CD2 4.32Å; Q17-L76 PolarHBondContact NE2-O 2.65Å; A72-L76 WeakPolarHBondContact O-CG 3.44Å; A72-L76 PolarHBondContact O-N 3.11Å; A72-L76 VanDerWaalsContact O-N 3.12Å; S73-L76 PolarHBondContact O-N 3.27Å; H74-L76 VanDerWaalsContact C-N 3.3Å; L76-F180 HydrophobicContact CD1-CB 3.66Å; L76-F180 HydrophobicContact CD1-CD1 3.37Å; L76-F180 HydrophobicContact CD1-CD2 3.96Å; L76-F180 HydrophobicContact CD1-CE1 3.91Å; L76-F180 HydrophobicContact CD1-CE2 4.44Å; L76-F180 HydrophobicContact CD1-CG 3.38Å; L76-F180 HydrophobicContact CD1-CZ 4.4Å; L76-A210 HydrophobicContact CD2-CB 4.41Å; L76-F217 HydrophobicContact CD1-CE2 4.4Å; L76-F217 HydrophobicContact CD1-CZ 3.93Å; L76-F217 HydrophobicContact CD2-CZ 4.21Å; L76-M221 HydrophobicContact CB-CE 4.37Å; L76-M221 HydrophobicContact CB-SD 4.24Å |
| 77 | V | 92.8 | Very high | 86.7 | Confident | 31 Ų | 31 | 32.2 Ų | 32.2 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -133 | 114.1 | 173.9 | 167.6 | 0 | 0 | 0 | 0 | 109.9 | S73 H74 N80 M221 L224 R225 | S73-V77 PolarHBondContact O-N 2.99Å; H74-V77 CarbonylContact O-C 3.34Å; H74-V77 VanDerWaalsContact O-C 3.25Å; V77-N80 HydrophobicContact CB-CB 4.4Å; V77-N80 HydrophobicContact CG1-CB 4.01Å; V77-N80 WeakPolarHBondContact O-CB 3.32Å; V77-N80 PolarHBondContact O-ND2 3.49Å; V77-M221 HydrophobicContact CB-CE 4.1Å; V77-M221 HydrophobicContact CG2-CE 3.12Å; V77-M221 HydrophobicContact CG2-SD 4.47Å; V77-L224 HydrophobicContact CB-CD2 4.21Å; V77-L224 HydrophobicContact CB-CG 4.44Å; V77-R225 HydrophobicContact CG2-CG 3.98Å |
| 78 | R | 86.6 | Confident | 86.5 | Confident | 135 Ų | 135 | 32.6 Ų | 32.6 | 51% | 0.509 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 145.4 | 172.7 | -61.3 | -176.9 | -175.6 | 178.1 | 4.5 | 109.7 | E16 H74 N80 | E16-R78 PolarHBondContact O-NH2 2.98Å; H74-R78 PolarHBondContact O-N 3.28Å; R78-N80 PolarHBondContact O-N 2.99Å; R78-N80 VanDerWaalsContact O-N 3.16Å |
| 79 | D | 82.1 | Confident | 86.6 | Confident | 135 Ų | 135 | 32 Ų | 32 | 72% | 0.722 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 32.4 | 177.3 | -54.4 | -40.1 | 0 | 0 | 0 | 115.5 | G81 R227 | D79-G81 PolarHBondContact O-N 3.23Å; D79-R227 PolarHBondContact O-NH2 2.92Å |
| 80 | N | 81.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -63.3 | -5.8 | 176.6 | 63.9 | 22.8 | 0 | 0 | 0 | 115.2 | S73 H74 V77 R78 L82 L224 F253 | S73-N80 PolarHBondContact O-ND2 2.88Å; H74-N80 WeakPolarHBondContact CA-ND2 3.28Å; H74-N80 PolarHBondContact N-ND2 3.42Å; V77-N80 HydrophobicContact CB-CB 4.4Å; V77-N80 HydrophobicContact CG1-CB 4.01Å; V77-N80 WeakPolarHBondContact O-CB 3.32Å; V77-N80 PolarHBondContact O-ND2 3.49Å; R78-N80 PolarHBondContact O-N 2.99Å; R78-N80 VanDerWaalsContact O-N 3.16Å; N80-L82 VanDerWaalsContact C-N 3.32Å; N80-L82 PolarHBondContact O-N 3.49Å; N80-L82 WeakPolarHBondContact OD1-CB 3.41Å; N80-L82 PolarHBondContact OD1-N 2.84Å; N80-L224 HydrophobicContact CB-CD1 3.83Å; N80-L224 HydrophobicContact CB-CG 4.21Å; N80-F253 VanDerWaalsContact O-CZ 3.25Å; N80-F253 WeakPolarHBondContact O-CZ 3.38Å | ||
| 81 | G | 78 | Confident | 87.6 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 86.5 | -11.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D79 R251 | D79-G81 PolarHBondContact O-N 3.23Å; G81-R251 WeakPolarHBondContact O-CD 3.47Å; G81-R251 PolarHBondContact O-NH1 3.25Å; G81-R251 VanDerWaalsContact O-NH1 3.12Å |
| 82 | L | 79 | Confident | 87.8 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -79.9 | -24 | 173.7 | -56.4 | 176.5 | 0 | 0 | 0 | 112.1 | A70 N80 V177 L224 L248 R251 F253 | A70-L82 HydrophobicContact CB-CB 4.19Å; N80-L82 VanDerWaalsContact C-N 3.32Å; N80-L82 PolarHBondContact O-N 3.49Å; N80-L82 WeakPolarHBondContact OD1-CB 3.41Å; N80-L82 PolarHBondContact OD1-N 2.84Å; L82-V177 HydrophobicContact CD1-CB 4.37Å; L82-V177 HydrophobicContact CD1-CG2 4.47Å; L82-L224 HydrophobicContact CD1-CD1 3.95Å; L82-L248 HydrophobicContact CD2-CD2 3.39Å; L82-R251 PolarHBondContact O-NH1 2.96Å; L82-F253 HydrophobicContact CD1-CZ 4.42Å; L82-F253 HydrophobicContact CD2-CE1 4.31Å; L82-F253 HydrophobicContact CD2-CE2 3.68Å; L82-F253 HydrophobicContact CD2-CZ 3.55Å; L82-F253 HydrophobicContact CG-CE2 4.22Å; L82-F253 HydrophobicContact CG-CZ 3.76Å |
| 83 | G | 73.6 | Confident | 87.9 | Confident | 24 Ų | 24 | 30.6 Ų | 30.6 | 25% | 0.247 | 16% | 0.158 | C | C | . | . | trans | 69.4 | -179.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 84 | Y | 73.1 | Confident | 87.8 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | trans | -137.2 | 74.9 | 175 | 73.9 | -75.2 | 0 | 0 | 0 | 109.9 | H74 | H74-Y84 HydrophobicContact CB-CG 4.43Å; H74-Y84 AromaticContact CD2-CD1 3.34Å; H74-Y84 WeakPolarHBondContact CD2-CD1 3.3Å; H74-Y84 AromaticContact CD2-CE1 3.95Å; H74-Y84 AromaticContact CD2-CG 3.52Å; H74-Y84 AromaticContact CE1-CD1 3.54Å; H74-Y84 AromaticContact CE1-CE1 3.9Å; H74-Y84 AromaticContact CG-CD1 3.69Å; H74-Y84 AromaticContact CG-CG 3.88Å; H74-Y84 AromaticContact ND1-CD1 3.8Å; H74-Y84 AromaticContact NE2-CD1 3.25Å; H74-Y84 WeakPolarHBondContact NE2-CD1 3.18Å; H74-Y84 AromaticContact NE2-CE1 3.44Å; H74-Y84 WeakPolarHBondContact NE2-CE1 3.45Å; H74-Y84 AromaticContact NE2-CG 3.93Å | ||
| 85 | R | 73.2 | Confident | 87.7 | Confident | 60 Ų | 60 | 33.6 Ų | 33.6 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | trans | -91.8 | -37.4 | -179.7 | -62.3 | 180 | -173.2 | -118.1 | -4.8 | 111.6 | K159 T160 I295 E298 | R85-K159 CarbonylContact O-C 3.25Å; R85-K159 WeakPolarHBondContact O-CA 3.28Å; R85-K159 VanDerWaalsContact O-CB 3.27Å; R85-K159 WeakPolarHBondContact O-CB 3.4Å; R85-T160 PolarHBondContact O-N 3.48Å; R85-I295 PolarHBondContact NH1-O 2.88Å; R85-E298 IonicContact CZ-OE1 2.76Å; R85-E298 IonicContact CZ-OE2 3.73Å; R85-E298 IonicContact NE-OE1 3.81Å; R85-E298 PolarHBondContact NE-OE1 3.1Å; R85-E298 IonicContact NE-OE2 2.98Å; R85-E298 IonicContact NH2-OE1 3.08Å; R85-E298 PolarHBondContact NH2-OE1 3.4Å; R85-E298 IonicContact NH2-OE2 3.69Å | ||
| 86 | D | 81.2 | Confident | 87.4 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | trans | -106.6 | 117.3 | -172 | -60.7 | -32.1 | 0 | 0 | 0 | 110.6 | T71 D88 T160 | T71-D86 PolarHBondContact OG1-O 3.33Å; D86-D88 PolarHBondContact O-N 2.99Å; D86-T160 WeakPolarHBondContact OD1-CB 3.27Å; D86-T160 PolarHBondContact OD1-N 2.8Å; D86-T160 PolarHBondContact OD1-OG1 3.47Å | ||
| 87 | L | 90.4 | Very high | 87.3 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 111.8 | 170.3 | -175.6 | 74.4 | 0 | 0 | 0 | 108.2 | V24 I29 A44 L67 T71 I89 T160 V161 G162 | V24-L87 HydrophobicContact CG1-CD1 3.76Å; I29-L87 HydrophobicContact CD1-CB 4.42Å; I29-L87 HydrophobicContact CD1-CD2 3.6Å; A44-L87 HydrophobicContact CB-CD2 3.5Å; A44-L87 VanDerWaalsContact CB-CD2 3.5Å; L67-L87 HydrophobicContact CD1-CD1 3.68Å; T71-L87 HydrophobicContact CG2-CD1 4.37Å; L87-I89 HydrophobicContact CD1-CD1 4.05Å; L87-I89 HydrophobicContact CD2-CD1 4.41Å; L87-I89 HydrophobicContact CD2-CG1 4.33Å; L87-I89 HydrophobicContact CG-CD1 4.04Å; L87-I89 HydrophobicContact CG-CG1 4.17Å; L87-T160 PolarHBondContact N-O 3.1Å; L87-V161 HydrophobicContact CB-CG2 4.44Å; L87-V161 HydrophobicContact CD2-CG1 4.31Å; L87-V161 HydrophobicContact CD2-CG2 4.47Å; L87-V161 CarbonylContact O-C 3.55Å; L87-V161 WeakPolarHBondContact O-CA 3.43Å; L87-G162 PolarHBondContact O-N 3.12Å |
| 88 | D | 92.9 | Very high | 87.2 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 104 | -175.9 | -177.5 | 37.1 | 0 | 0 | 0 | 110 | N68 D86 R164 | N68-D88 PolarHBondContact N-O 2.93Å; N68-D88 PolarHBondContact ND2-OD2 2.96Å; D86-D88 PolarHBondContact O-N 2.99Å; D88-R164 WeakPolarHBondContact OD1-CD 3.45Å; D88-R164 IonicContact OD1-CZ 2.63Å; D88-R164 IonicContact OD1-NE 2.88Å; D88-R164 PolarHBondContact OD1-NE 2.98Å; D88-R164 VanDerWaalsContact OD1-NE 3.1Å; D88-R164 IonicContact OD1-NH1 3.78Å; D88-R164 PolarHBondContact OD1-NH1 2.68Å; D88-R164 IonicContact OD1-NH2 2.75Å; D88-R164 PolarHBondContact OD1-NH2 3.03Å; D88-R164 VanDerWaalsContact OD1-NH2 3.08Å; D88-R164 IonicContact OD2-CZ 3.6Å; D88-R164 IonicContact OD2-NE 3.45Å; D88-R164 IonicContact OD2-NH1 2.9Å; D88-R164 PolarHBondContact OD2-NH1 2.8Å; D88-R164 IonicContact OD2-NH2 3.2Å; D88-R164 PolarHBondContact OD2-NH2 2.87Å |
| 89 | I | 96.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.3 | -177.7 | -53.3 | -58.9 | 0 | 0 | 0 | 109.2 | I48 I65 R66 L67 L87 F91 G162 L163 R164 L184 | I48-I89 HydrophobicContact CD1-CD1 4.01Å; I48-I89 HydrophobicContact CD1-CG1 4.09Å; I48-I89 HydrophobicContact CD1-CG2 4.02Å; I48-I89 HydrophobicContact CG1-CG1 4.44Å; I48-I89 HydrophobicContact CG1-CG2 4.07Å; I65-I89 HydrophobicContact CG2-CG2 3.72Å; R66-I89 CarbonylContact O-C 3.56Å; R66-I89 WeakPolarHBondContact O-CA 3.33Å; L67-I89 HydrophobicContact CD1-CD1 3.86Å; L87-I89 HydrophobicContact CD1-CD1 4.05Å; L87-I89 HydrophobicContact CD2-CD1 4.41Å; L87-I89 HydrophobicContact CD2-CG1 4.33Å; L87-I89 HydrophobicContact CG-CD1 4.04Å; L87-I89 HydrophobicContact CG-CG1 4.17Å; I89-F91 HydrophobicContact CB-CE2 4.32Å; I89-F91 HydrophobicContact CG2-CD2 4.17Å; I89-F91 HydrophobicContact CG2-CE2 3.69Å; I89-F91 HydrophobicContact CG2-CZ 4.11Å; I89-G162 PolarHBondContact N-O 3.32Å; I89-L163 HydrophobicContact CB-CD2 4.25Å; I89-R164 PolarHBondContact O-N 3.48Å; I89-L184 HydrophobicContact CD1-CD1 4.17Å |
| 90 | I | 97.8 | Very high | 88.1 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.8 | 172.3 | -60.8 | 175.9 | 0 | 0 | 0 | 108.5 | I65 R66 N68 R164 V166 | I65-I90 CarbonylContact C-O 3.59Å; I65-I90 VanDerWaalsContact CA-O 3.32Å; I65-I90 WeakPolarHBondContact CA-O 3.39Å; R66-I90 HydrophobicContact CB-CB 4.28Å; R66-I90 PolarHBondContact N-O 3.36Å; R66-I90 PolarHBondContact O-N 3.21Å; N68-I90 HydrophobicContact CB-CD1 3.68Å; N68-I90 HydrophobicContact CB-CG1 4.09Å; I90-R164 CarbonylContact C-O 3.54Å; I90-R164 WeakPolarHBondContact CA-O 3.29Å; I90-R164 HydrophobicContact CG1-CB 4.17Å; I90-V166 HydrophobicContact CG2-CB 4.09Å; I90-V166 HydrophobicContact CG2-CG2 3.84Å |
| 91 | F | 98.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 111.7 | 163.5 | -63.1 | -99.6 | 0 | 0 | 0 | 107.2 | I48 V51 V62 I65 I89 V93 L163 R164 F165 V166 | I48-F91 HydrophobicContact CB-CZ 4.44Å; I48-F91 HydrophobicContact CG1-CZ 4.19Å; I48-F91 HydrophobicContact CG2-CE1 4.13Å; I48-F91 HydrophobicContact CG2-CZ 4.27Å; V51-F91 HydrophobicContact CB-CE1 4.36Å; V51-F91 HydrophobicContact CB-CZ 4.18Å; V51-F91 HydrophobicContact CG1-CE1 3.99Å; V51-F91 HydrophobicContact CG1-CE2 4.43Å; V51-F91 HydrophobicContact CG1-CZ 3.91Å; V62-F91 HydrophobicContact CG1-CD1 4.22Å; I65-F91 HydrophobicContact CD1-CD1 4.05Å; I65-F91 HydrophobicContact CD1-CE1 3.97Å; I65-F91 HydrophobicContact CG1-CD1 4.03Å; I65-F91 HydrophobicContact CG1-CE1 4.37Å; I65-F91 HydrophobicContact CG2-CE1 4.47Å; I89-F91 HydrophobicContact CB-CE2 4.32Å; I89-F91 HydrophobicContact CG2-CD2 4.17Å; I89-F91 HydrophobicContact CG2-CE2 3.69Å; I89-F91 HydrophobicContact CG2-CZ 4.11Å; F91-V93 HydrophobicContact CB-CG1 4.03Å; F91-V93 PolarHBondContact O-N 3.19Å; F91-L163 HydrophobicContact CE2-CB 4.44Å; F91-L163 HydrophobicContact CE2-CD2 4.09Å; F91-R164 PolarHBondContact N-O 3.5Å; F91-F165 HydrophobicContact CB-CD1 3.78Å; F91-F165 HydrophobicContact CB-CE1 4.1Å; F91-F165 HydrophobicContact CD1-CE1 4.46Å; F91-F165 HydrophobicContact CD2-CD1 4.06Å; F91-F165 AromaticContact CD2-CE1 3.63Å; F91-F165 HydrophobicContact CD2-CE1 3.63Å; F91-F165 HydrophobicContact CD2-CZ 4.07Å; F91-F165 HydrophobicContact CE2-CE1 4.15Å; F91-F165 HydrophobicContact CE2-CZ 4.29Å; F91-F165 HydrophobicContact CG-CD1 4.03Å; F91-F165 AromaticContact CG-CE1 3.81Å; F91-F165 HydrophobicContact CG-CE1 3.81Å; F91-F165 WeakPolarHBondContact O-CA 3.14Å; F91-V166 PolarHBondContact O-N 2.86Å |
| 92 | G | 97.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 114.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V62 K63 D64 V166 | V62-G92 CarbonylContact C-O 3.51Å; V62-G92 WeakPolarHBondContact CA-O 3.34Å; K63-G92 PolarHBondContact N-O 3.2Å; D64-G92 PolarHBondContact O-N 2.59Å; D64-G92 VanDerWaalsContact OD1-CA 3.31Å; D64-G92 WeakPolarHBondContact OD1-CA 3.26Å; G92-V166 WeakPolarHBondContact CA-O 3.43Å |
| 93 | V | 96.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.7 | -173.7 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | L55 I60 Q61 V62 F91 L95 F165 V166 S167 | L55-V93 HydrophobicContact CD1-CG1 4.32Å; I60-V93 HydrophobicContact CG2-CB 4.13Å; I60-V93 HydrophobicContact CG2-CG1 4.14Å; Q61-V93 WeakPolarHBondContact O-CA 3.33Å; V62-V93 HydrophobicContact CG2-CG1 4.07Å; F91-V93 HydrophobicContact CB-CG1 4.03Å; F91-V93 PolarHBondContact O-N 3.19Å; V93-L95 HydrophobicContact CG2-CD1 3.81Å; V93-L95 HydrophobicContact CG2-CD2 4.02Å; V93-L95 HydrophobicContact CG2-CG 3.72Å; V93-F165 HydrophobicContact CG1-CD1 4.49Å; V93-F165 HydrophobicContact CG2-CB 3.89Å; V93-V166 PolarHBondContact N-O 3.5Å; V93-S167 WeakPolarHBondContact O-CA 3.43Å; V93-S167 WeakPolarHBondContact O-CB 3.34Å |
| 94 | E | 92 | Very high | 91.4 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 42% | 0.416 | 21% | 0.209 | S | C | . | . | trans | -87.6 | 119 | 168.7 | -59.7 | -158 | 152.8 | 0 | 0 | 110.6 | Q61 K63 P96 | Q61-E94 PolarHBondContact O-N 3.05Å; K63-E94 HydrophobicContact CD-CG 4.38Å; K63-E94 WeakPolarHBondContact CE-OE1 3.47Å; K63-E94 IonicContact NZ-OE1 3.25Å; K63-E94 PolarHBondContact NZ-OE1 3.34Å; E94-P96 VanDerWaalsContact C-CD 3.42Å; E94-P96 WeakPolarHBondContact O-CD 3.42Å | ||
| 95 | L | 90.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | trans | -120.7 | 76.3 | 178.4 | -58.7 | 174.5 | 0 | 0 | 0 | 110 | V93 R97 D100 F101 I104 | V93-L95 HydrophobicContact CG2-CD1 3.81Å; V93-L95 HydrophobicContact CG2-CD2 4.02Å; V93-L95 HydrophobicContact CG2-CG 3.72Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-D100 HydrophobicContact CD2-CB 3.8Å; L95-F101 HydrophobicContact CD1-CD1 4.37Å; L95-F101 HydrophobicContact CD1-CE1 3.69Å; L95-F101 HydrophobicContact CD1-CZ 4.05Å; L95-I104 HydrophobicContact CD1-CD1 4Å; L95-I104 HydrophobicContact CD2-CD1 3.46Å; L95-I104 VanDerWaalsContact CD2-CD1 3.46Å; L95-I104 HydrophobicContact CD2-CG1 4.48Å; L95-I104 HydrophobicContact CG-CD1 4.37Å | ||
| 96 | P | 88.1 | Confident | 93.5 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 56% | 0.558 | 22% | 0.216 | S | C | * | . | trans | -68.1 | -31.6 | 178.4 | 26.4 | -33.5 | 0 | 0 | 0 | 112.1 | E94 D100 | E94-P96 VanDerWaalsContact C-CD 3.42Å; E94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-D100 VanDerWaalsContact CD-OD2 3.24Å; P96-D100 WeakPolarHBondContact CD-OD2 3.35Å | ||
| 97 | R | 91.9 | Very high | 94.2 | Very high | 149 Ų | 149 | 42.1 Ų | 42.1 | 56% | 0.562 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -125.2 | 158.2 | -171.6 | -47.3 | 171.2 | -67.2 | -165.2 | -0.8 | 112.5 | L95 E99 D100 | L95-R97 VanDerWaalsContact C-N 3.31Å; R97-E99 VanDerWaalsContact C-N 3.31Å; R97-E99 WeakPolarHBondContact CB-OE2 3.33Å; R97-E99 PolarHBondContact O-N 3.03Å; R97-D100 WeakPolarHBondContact CB-OD2 3.39Å; R97-D100 IonicContact CZ-OD1 2.81Å; R97-D100 PolarHBondContact N-OD2 3.3Å; R97-D100 IonicContact NE-OD1 3.56Å; R97-D100 PolarHBondContact NE-OD1 2.96Å; R97-D100 IonicContact NE-OD2 3.87Å; R97-D100 IonicContact NH2-OD1 3.05Å; R97-D100 PolarHBondContact NH2-OD1 3.14Å; R97-D100 WeakPolarHBondContact O-CB 3.25Å; R97-D100 PolarHBondContact O-N 3.3Å |
| 98 | Q | 91.2 | Very high | 94.5 | Very high | 112 Ų | 112 | 41.7 Ų | 41.7 | 52% | 0.523 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -25.1 | 179.9 | -170.6 | 176.9 | -38 | 0 | 0 | 112.2 | D100 F101 F142 | Q98-D100 PolarHBondContact O-N 3.42Å; Q98-F101 HydrophobicContact CG-CD2 4.26Å; Q98-F101 VanDerWaalsContact O-CD2 3.32Å; Q98-F101 WeakPolarHBondContact O-CD2 3.44Å; Q98-F101 PolarHBondContact O-N 3.3Å; Q98-F142 HydrophobicContact CB-CD1 4.49Å |
| 99 | E | 93.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 41.3 Ų | 41.3 | 58% | 0.575 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27 | 177.6 | -60.2 | 73.2 | -155 | 0 | 0 | 111.8 | R97 F101 Q102 V103 | R97-E99 VanDerWaalsContact C-N 3.31Å; R97-E99 WeakPolarHBondContact CB-OE2 3.33Å; R97-E99 PolarHBondContact O-N 3.03Å; E99-F101 PolarHBondContact O-N 3.14Å; E99-F101 VanDerWaalsContact O-N 3.15Å; E99-Q102 WeakPolarHBondContact O-CB 3.46Å; E99-Q102 PolarHBondContact O-N 3.17Å; E99-V103 PolarHBondContact O-N 3.32Å |
| 100 | D | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -26 | -179.8 | -54.7 | -32.4 | 0 | 0 | 0 | 111.2 | I60 L95 P96 R97 Q98 Q102 V103 I104 | I60-D100 HydrophobicContact CD1-CB 4.3Å; L95-D100 HydrophobicContact CD2-CB 3.8Å; P96-D100 VanDerWaalsContact CD-OD2 3.24Å; P96-D100 WeakPolarHBondContact CD-OD2 3.35Å; R97-D100 WeakPolarHBondContact CB-OD2 3.39Å; R97-D100 IonicContact CZ-OD1 2.81Å; R97-D100 PolarHBondContact N-OD2 3.3Å; R97-D100 IonicContact NE-OD1 3.56Å; R97-D100 PolarHBondContact NE-OD1 2.96Å; R97-D100 IonicContact NE-OD2 3.87Å; R97-D100 IonicContact NH2-OD1 3.05Å; R97-D100 PolarHBondContact NH2-OD1 3.14Å; R97-D100 WeakPolarHBondContact O-CB 3.25Å; R97-D100 PolarHBondContact O-N 3.3Å; Q98-D100 PolarHBondContact O-N 3.42Å; D100-Q102 PolarHBondContact O-N 3.23Å; D100-V103 WeakPolarHBondContact O-CB 3.41Å; D100-V103 PolarHBondContact O-N 3.27Å; D100-I104 WeakPolarHBondContact O-CG1 3.34Å; D100-I104 PolarHBondContact O-N 2.63Å |
| 101 | F | 94.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 171.7 | -67.7 | -66 | 0 | 0 | 0 | 113.7 | L95 Q98 E99 V103 I104 K105 F142 W148 | L95-F101 HydrophobicContact CD1-CD1 4.37Å; L95-F101 HydrophobicContact CD1-CE1 3.69Å; L95-F101 HydrophobicContact CD1-CZ 4.05Å; Q98-F101 HydrophobicContact CG-CD2 4.26Å; Q98-F101 VanDerWaalsContact O-CD2 3.32Å; Q98-F101 WeakPolarHBondContact O-CD2 3.44Å; Q98-F101 PolarHBondContact O-N 3.3Å; E99-F101 PolarHBondContact O-N 3.14Å; E99-F101 VanDerWaalsContact O-N 3.15Å; F101-V103 VanDerWaalsContact C-N 3.33Å; F101-I104 HydrophobicContact CD1-CD1 4.45Å; F101-K105 WeakPolarHBondContact O-CB 3.44Å; F101-K105 PolarHBondContact O-N 3.5Å; F101-F142 HydrophobicContact CE2-CB 3.71Å; F101-F142 AromaticContact CE2-CD2 3.46Å; F101-F142 HydrophobicContact CE2-CD2 3.46Å; F101-F142 VanDerWaalsContact CE2-CD2 3.46Å; F101-F142 HydrophobicContact CE2-CE2 4.36Å; F101-F142 AromaticContact CE2-CG 3.91Å; F101-F142 HydrophobicContact CE2-CG 3.91Å; F101-F142 HydrophobicContact CZ-CB 4.19Å; F101-F142 AromaticContact CZ-CD2 3.97Å; F101-F142 HydrophobicContact CZ-CD2 3.97Å; F101-W148 WeakPolarHBondContact CE1-O 3.33Å |
| 102 | Q | 94.7 | Very high | 93.9 | Very high | 78 Ų | 78 | 41 Ų | 41 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.1 | -35.9 | 176.5 | -176.5 | 51.7 | 50.1 | 0 | 0 | 110.2 | E99 D100 K105 E106 | E99-Q102 WeakPolarHBondContact O-CB 3.46Å; E99-Q102 PolarHBondContact O-N 3.17Å; D100-Q102 PolarHBondContact O-N 3.23Å; Q102-K105 PolarHBondContact O-N 2.65Å; Q102-E106 PolarHBondContact NE2-OE1 3.05Å; Q102-E106 WeakPolarHBondContact O-CG 3.3Å; Q102-E106 PolarHBondContact O-N 3.44Å |
| 103 | V | 95.4 | Very high | 93.5 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -50.8 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | R58 I60 E99 D100 F101 K105 E106 V107 | R58-V103 HydrophobicContact CB-CG1 3.69Å; R58-V103 HydrophobicContact CG-CG1 4.08Å; I60-V103 HydrophobicContact CD1-CB 3.95Å; I60-V103 HydrophobicContact CD1-CG1 3.66Å; E99-V103 PolarHBondContact O-N 3.32Å; D100-V103 WeakPolarHBondContact O-CB 3.41Å; D100-V103 PolarHBondContact O-N 3.27Å; F101-V103 VanDerWaalsContact C-N 3.33Å; V103-K105 VanDerWaalsContact C-N 3.28Å; V103-K105 PolarHBondContact O-N 2.87Å; V103-E106 PolarHBondContact O-N 3.14Å; V103-V107 HydrophobicContact CG1-CG2 4.24Å; V103-V107 WeakPolarHBondContact O-CG2 3.42Å; V103-V107 PolarHBondContact O-N 2.84Å |
| 104 | I | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.3 | -49 | 175.5 | -75.3 | 164.3 | 0 | 0 | 0 | 110.9 | L55 I60 L95 D100 F101 E106 V107 V108 F165 | L55-I104 HydrophobicContact CD2-CG1 4.05Å; I60-I104 HydrophobicContact CD1-CG1 4.15Å; L95-I104 HydrophobicContact CD1-CD1 4Å; L95-I104 HydrophobicContact CD2-CD1 3.46Å; L95-I104 VanDerWaalsContact CD2-CD1 3.46Å; L95-I104 HydrophobicContact CD2-CG1 4.48Å; L95-I104 HydrophobicContact CG-CD1 4.37Å; D100-I104 WeakPolarHBondContact O-CG1 3.34Å; D100-I104 PolarHBondContact O-N 2.63Å; F101-I104 HydrophobicContact CD1-CD1 4.45Å; I104-E106 VanDerWaalsContact C-N 3.32Å; I104-E106 PolarHBondContact O-N 3.09Å; I104-V107 PolarHBondContact O-N 3.35Å; I104-V108 HydrophobicContact CG2-CG2 4.45Å; I104-V108 WeakPolarHBondContact O-CG2 3.28Å; I104-V108 PolarHBondContact O-N 3.43Å; I104-F165 HydrophobicContact CD1-CB 3.74Å; I104-F165 HydrophobicContact CD1-CD1 4.41Å; I104-F165 HydrophobicContact CD1-CG 4.03Å; I104-F165 HydrophobicContact CG1-CD1 4.39Å; I104-F165 HydrophobicContact CG1-CG 4.34Å; I104-F165 HydrophobicContact CG2-CB 4.4Å; I104-F165 HydrophobicContact CG2-CD1 4.04Å; I104-F165 HydrophobicContact CG2-CD2 3.39Å; I104-F165 HydrophobicContact CG2-CE1 4.2Å; I104-F165 HydrophobicContact CG2-CE2 3.56Å; I104-F165 HydrophobicContact CG2-CG 3.65Å; I104-F165 HydrophobicContact CG2-CZ 3.97Å |
| 105 | K | 95.8 | Very high | 92.9 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 179.3 | 170.4 | -179.2 | 154.2 | -131.9 | 0 | 111.4 | F101 Q102 V103 L109 M138 | F101-K105 WeakPolarHBondContact O-CB 3.44Å; F101-K105 PolarHBondContact O-N 3.5Å; Q102-K105 PolarHBondContact O-N 2.65Å; V103-K105 VanDerWaalsContact C-N 3.28Å; V103-K105 PolarHBondContact O-N 2.87Å; K105-L109 HydrophobicContact CG-CD1 3.69Å; K105-L109 HydrophobicContact CG-CG 4.5Å; K105-L109 WeakPolarHBondContact O-CB 3.39Å; K105-L109 WeakPolarHBondContact O-CD1 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.39Å; K105-L109 PolarHBondContact O-N 2.95Å; K105-M138 HydrophobicContact CD-SD 4.21Å; K105-M138 HydrophobicContact CG-CE 4.22Å; K105-M138 HydrophobicContact CG-SD 4.36Å |
| 106 | E | 95.3 | Very high | 92.8 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.6 | -76.2 | 170.1 | -157.9 | 0 | 0 | 112.5 | Q102 V103 I104 G110 | Q102-E106 PolarHBondContact NE2-OE1 3.05Å; Q102-E106 WeakPolarHBondContact O-CG 3.3Å; Q102-E106 PolarHBondContact O-N 3.44Å; V103-E106 PolarHBondContact O-N 3.14Å; I104-E106 VanDerWaalsContact C-N 3.32Å; I104-E106 PolarHBondContact O-N 3.09Å; E106-G110 WeakPolarHBondContact O-CA 3.25Å; E106-G110 PolarHBondContact O-N 3.39Å |
| 107 | V | 96.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -50 | 176 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | V51 R54 L55 R58 V103 I104 G110 S111 | V51-V107 HydrophobicContact CG1-CG1 4.47Å; R54-V107 HydrophobicContact CB-CG1 3.53Å; R54-V107 HydrophobicContact CB-CG2 4.36Å; L55-V107 HydrophobicContact CD2-CB 4.22Å; L55-V107 HydrophobicContact CD2-CG1 4.01Å; L55-V107 HydrophobicContact CD2-CG2 4.28Å; L55-V107 HydrophobicContact CG-CG1 4.03Å; R58-V107 HydrophobicContact CG-CG2 4.01Å; V103-V107 HydrophobicContact CG1-CG2 4.24Å; V103-V107 WeakPolarHBondContact O-CG2 3.42Å; V103-V107 PolarHBondContact O-N 2.84Å; I104-V107 PolarHBondContact O-N 3.35Å; V107-G110 PolarHBondContact O-N 3.06Å; V107-S111 WeakPolarHBondContact O-CB 3.5Å; V107-S111 PolarHBondContact O-N 3.26Å; V107-S111 PolarHBondContact O-OG 3.4Å |
| 108 | V | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | -179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | V51 I104 G110 S111 L112 I151 L163 F165 | V51-V108 HydrophobicContact CG1-CG2 4.37Å; V51-V108 HydrophobicContact CG2-CG2 4.41Å; I104-V108 HydrophobicContact CG2-CG2 4.45Å; I104-V108 WeakPolarHBondContact O-CG2 3.28Å; I104-V108 PolarHBondContact O-N 3.43Å; V108-G110 VanDerWaalsContact C-N 3.33Å; V108-G110 PolarHBondContact O-N 2.89Å; V108-S111 WeakPolarHBondContact O-CB 3.32Å; V108-S111 PolarHBondContact O-N 3.3Å; V108-S111 VanDerWaalsContact O-N 3.14Å; V108-L112 HydrophobicContact CG1-CD1 4.49Å; V108-L112 WeakPolarHBondContact O-CG 3.49Å; V108-L112 PolarHBondContact O-N 3.05Å; V108-I151 HydrophobicContact CB-CD1 3.8Å; V108-I151 HydrophobicContact CG1-CD1 3.9Å; V108-I151 HydrophobicContact CG1-CG2 4.18Å; V108-I151 HydrophobicContact CG2-CD1 3.98Å; V108-L163 HydrophobicContact CG1-CD1 3.84Å; V108-L163 HydrophobicContact CG2-CD1 4.26Å; V108-F165 HydrophobicContact CG2-CE1 4.41Å; V108-F165 HydrophobicContact CG2-CE2 3.76Å; V108-F165 HydrophobicContact CG2-CZ 3.39Å |
| 109 | L | 94.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 179.9 | -66.3 | 171.2 | 0 | 0 | 0 | 112.2 | K105 S111 L112 R113 C127 M130 K131 V135 M138 | K105-L109 HydrophobicContact CG-CD1 3.69Å; K105-L109 HydrophobicContact CG-CG 4.5Å; K105-L109 WeakPolarHBondContact O-CB 3.39Å; K105-L109 WeakPolarHBondContact O-CD1 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.39Å; K105-L109 PolarHBondContact O-N 2.95Å; L109-S111 VanDerWaalsContact C-N 3.34Å; L109-L112 HydrophobicContact CD2-CD1 4.47Å; L109-R113 PolarHBondContact O-N 2.9Å; L109-R113 VanDerWaalsContact O-N 3.14Å; L109-C127 HydrophobicContact CB-CB 4.26Å; L109-C127 HydrophobicContact CD1-CB 3.98Å; L109-C127 WeakPolarHBondContact CD1-O 3.38Å; L109-M130 HydrophobicContact CB-CB 4.34Å; L109-M130 HydrophobicContact CD2-CB 4.05Å; L109-K131 HydrophobicContact CD1-CB 4.08Å; L109-K131 HydrophobicContact CD2-CB 4.06Å; L109-V135 HydrophobicContact CD2-CG2 3.77Å; L109-M138 HydrophobicContact CD1-CE 4.18Å; L109-M138 HydrophobicContact CD2-CE 4.06Å; L109-M138 HydrophobicContact CG-CE 4.32Å |
| 110 | G | 93.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R54 E106 V107 V108 R113 D114 | R54-G110 PolarHBondContact NH1-O 3.48Å; E106-G110 WeakPolarHBondContact O-CA 3.25Å; E106-G110 PolarHBondContact O-N 3.39Å; V107-G110 PolarHBondContact O-N 3.06Å; V108-G110 VanDerWaalsContact C-N 3.33Å; V108-G110 PolarHBondContact O-N 2.89Å; G110-R113 WeakPolarHBondContact O-CB 3.31Å; G110-R113 PolarHBondContact O-N 2.87Å; G110-R113 VanDerWaalsContact O-N 3.17Å; G110-D114 PolarHBondContact O-N 2.8Å |
| 111 | S | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | V107 V108 L109 R113 D114 L115 | V107-S111 WeakPolarHBondContact O-CB 3.5Å; V107-S111 PolarHBondContact O-N 3.26Å; V107-S111 PolarHBondContact O-OG 3.4Å; V108-S111 WeakPolarHBondContact O-CB 3.32Å; V108-S111 PolarHBondContact O-N 3.3Å; V108-S111 VanDerWaalsContact O-N 3.14Å; L109-S111 VanDerWaalsContact C-N 3.34Å; S111-R113 PolarHBondContact O-N 2.95Å; S111-D114 PolarHBondContact O-N 2.67Å; S111-D114 VanDerWaalsContact O-N 3.14Å; S111-L115 WeakPolarHBondContact O-CG 3.49Å; S111-L115 PolarHBondContact O-N 3.35Å |
| 112 | L | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -34.8 | 173.4 | -66.6 | 174.1 | 0 | 0 | 0 | 112.5 | L40 I47 V108 L109 D114 L115 M130 L153 | L40-L112 HydrophobicContact CD1-CB 4.46Å; L40-L112 HydrophobicContact CD1-CD2 4.16Å; I47-L112 HydrophobicContact CD1-CD2 3.93Å; V108-L112 HydrophobicContact CG1-CD1 4.49Å; V108-L112 WeakPolarHBondContact O-CG 3.49Å; V108-L112 PolarHBondContact O-N 3.05Å; L109-L112 HydrophobicContact CD2-CD1 4.47Å; L112-D114 VanDerWaalsContact C-N 3.27Å; L112-D114 PolarHBondContact O-N 2.85Å; L112-L115 PolarHBondContact O-N 3.32Å; L112-M130 HydrophobicContact CB-CE 3.54Å; L112-L153 HydrophobicContact CD1-CD1 4.46Å; L112-L153 HydrophobicContact CD1-CD2 3.67Å; L112-L153 HydrophobicContact CD2-CD1 3.82Å |
| 113 | R | 90.5 | Very high | 88.7 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 30% | 0.302 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66 | -31.8 | 178.9 | -173.9 | -175.7 | 63.7 | -173 | -3.7 | 111.7 | L109 G110 S111 L115 L116 R122 I125 M130 | L109-R113 PolarHBondContact O-N 2.9Å; L109-R113 VanDerWaalsContact O-N 3.14Å; G110-R113 WeakPolarHBondContact O-CB 3.31Å; G110-R113 PolarHBondContact O-N 2.87Å; G110-R113 VanDerWaalsContact O-N 3.17Å; S111-R113 PolarHBondContact O-N 2.95Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L116 HydrophobicContact CB-CD1 4.47Å; R113-L116 HydrophobicContact CG-CD1 3.96Å; R113-L116 WeakPolarHBondContact O-CB 3.3Å; R113-L116 WeakPolarHBondContact O-CD1 3.31Å; R113-L116 WeakPolarHBondContact O-CG 3.48Å; R113-L116 PolarHBondContact O-N 2.89Å; R113-R122 HydrophobicContact CG-CB 4.41Å; R113-I125 HydrophobicContact CG-CG2 4.4Å; R113-M130 HydrophobicContact CB-CE 4.27Å; R113-M130 HydrophobicContact CB-CG 4.3Å; R113-M130 HydrophobicContact CB-SD 4.35Å |
| 114 | D | 87.9 | Confident | 88 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -78.5 | -23.2 | 179.4 | -56 | -44.8 | 0 | 0 | 0 | 113 | R54 G110 S111 L112 L116 R122 | R54-D114 IonicContact CZ-OD2 3.61Å; R54-D114 IonicContact NE-OD2 2.76Å; R54-D114 IonicContact NH1-OD2 3.73Å; R54-D114 PolarHBondContact NH1-OD2 2.94Å; R54-D114 IonicContact NH2-OD1 2.89Å; R54-D114 IonicContact NH2-OD2 3.5Å; R54-D114 PolarHBondContact NH2-OD2 3Å; G110-D114 PolarHBondContact O-N 2.8Å; S111-D114 PolarHBondContact O-N 2.67Å; S111-D114 VanDerWaalsContact O-N 3.14Å; L112-D114 VanDerWaalsContact C-N 3.27Å; L112-D114 PolarHBondContact O-N 2.85Å; D114-L116 PolarHBondContact O-N 3.21Å; D114-R122 VanDerWaalsContact O-CZ 3.29Å; D114-R122 PolarHBondContact O-NH1 3.04Å; D114-R122 PolarHBondContact O-NH2 3.42Å |
| 115 | L | 87.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -2.4 | 172.6 | -60.8 | 173.3 | 0 | 0 | 0 | 112.9 | V42 I47 S111 L112 R113 | V42-L115 HydrophobicContact CG1-CD1 3.96Å; V42-L115 HydrophobicContact CG2-CD1 3.93Å; I47-L115 HydrophobicContact CB-CD1 4.39Å; I47-L115 HydrophobicContact CG1-CD1 4.4Å; S111-L115 WeakPolarHBondContact O-CG 3.49Å; S111-L115 PolarHBondContact O-N 3.35Å; L112-L115 PolarHBondContact O-N 3.32Å; R113-L115 VanDerWaalsContact C-N 3.32Å |
| 116 | L | 87.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -63.2 | 139.6 | 174.2 | -74.9 | 166 | 0 | 0 | 0 | 111.2 | P38 L40 R113 D114 V120 R122 I125 M130 Y134 | P38-L116 HydrophobicContact CG-CD2 3.96Å; L40-L116 HydrophobicContact CD2-CD2 3.66Å; L40-L116 HydrophobicContact CD2-CG 4.17Å; R113-L116 HydrophobicContact CB-CD1 4.47Å; R113-L116 HydrophobicContact CG-CD1 3.96Å; R113-L116 WeakPolarHBondContact O-CB 3.3Å; R113-L116 WeakPolarHBondContact O-CD1 3.31Å; R113-L116 WeakPolarHBondContact O-CG 3.48Å; R113-L116 PolarHBondContact O-N 2.89Å; D114-L116 PolarHBondContact O-N 3.21Å; L116-V120 HydrophobicContact CB-CB 4.37Å; L116-V120 HydrophobicContact CD1-CG1 4.13Å; L116-R122 PolarHBondContact O-NH2 3.11Å; L116-I125 HydrophobicContact CD1-CD1 3.63Å; L116-M130 HydrophobicContact CD1-SD 4.13Å; L116-Y134 HydrophobicContact CD2-CE2 4.29Å; L116-Y134 VanDerWaalsContact CD2-OH 3.29Å; L116-Y134 WeakPolarHBondContact CD2-OH 3.37Å |
| 117 | P | 85.7 | Confident | 86.9 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 153.6 | 179.5 | -26 | 33.3 | 0 | 0 | 0 | 114.3 | P38 G119 V120 | P38-P117 HydrophobicContact CB-CG 4.29Å; P38-P117 HydrophobicContact CG-CG 4.38Å; P117-G119 PolarHBondContact O-N 2.85Å; P117-V120 PolarHBondContact O-N 3.39Å |
| 118 | C | 76.6 | Confident | 86.6 | Confident | 131 Ų | 131 | 64.2 Ų | 64.2 | 89% | 0.885 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.4 | 172.2 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 119 | G | 74.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 89% | 0.887 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | -12.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P117 | P117-G119 PolarHBondContact O-N 2.85Š|
| 120 | V | 82.4 | Confident | 86.3 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | trans | -79.7 | 127.5 | 173 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | P38 L116 P117 R122 I125 | P38-V120 HydrophobicContact CG-CG2 4.33Å; L116-V120 HydrophobicContact CB-CB 4.37Å; L116-V120 HydrophobicContact CD1-CG1 4.13Å; P117-V120 PolarHBondContact O-N 3.39Å; V120-R122 PolarHBondContact O-N 2.79Å; V120-I125 HydrophobicContact CG1-CD1 3.46Å; V120-I125 VanDerWaalsContact CG1-CD1 3.46Å | ||
| 121 | N | 80.1 | Confident | 86.3 | Confident | 93 Ų | 93 | 69.9 Ų | 69.9 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | trans | -73.9 | 88.8 | 175.3 | -169.8 | -22 | 0 | 0 | 0 | 111.1 | R123 K124 | N121-R123 PolarHBondContact O-N 2.87Å; N121-R123 WeakPolarHBondContact OD1-CB 3.39Å; N121-R123 PolarHBondContact OD1-N 2.94Å; N121-K124 PolarHBondContact O-N 2.75Å | ||
| 122 | R | 83.9 | Confident | 86.3 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 34% | 0.34 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -62.5 | -22.2 | -178.2 | -58.6 | 178.8 | -173 | -178.5 | -5.1 | 113.8 | R113 D114 L116 V120 K124 I125 | R113-R122 HydrophobicContact CG-CB 4.41Å; D114-R122 VanDerWaalsContact O-CZ 3.29Å; D114-R122 PolarHBondContact O-NH1 3.04Å; D114-R122 PolarHBondContact O-NH2 3.42Å; L116-R122 PolarHBondContact O-NH2 3.11Å; V120-R122 PolarHBondContact O-N 2.79Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 2.81Å; R122-I125 PolarHBondContact O-N 2.83Å |
| 123 | R | 78.4 | Confident | 86.3 | Confident | 245 Ų | 245 | 75.7 Ų | 75.7 | 93% | 0.925 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -67 | -29.3 | -175.4 | -63 | -174.5 | 178.8 | -177.4 | 0.1 | 113.2 | N121 | N121-R123 PolarHBondContact O-N 2.87Å; N121-R123 WeakPolarHBondContact OD1-CB 3.39Å; N121-R123 PolarHBondContact OD1-N 2.94Å |
| 124 | K | 80.1 | Confident | 86.4 | Confident | 175 Ų | 175 | 71.9 Ų | 71.9 | 76% | 0.761 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -90.2 | -6.2 | 178.8 | -64.4 | -173.3 | 178.4 | -176.6 | 0 | 113.2 | N121 R122 | N121-K124 PolarHBondContact O-N 2.75Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 2.81Å |
| 125 | I | 86.4 | Confident | 86.6 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | trans | -93.6 | 114.1 | -174.2 | -61 | 177 | 0 | 0 | 0 | 109.7 | R113 L116 V120 R122 M130 | R113-I125 HydrophobicContact CG-CG2 4.4Å; L116-I125 HydrophobicContact CD1-CD1 3.63Å; V120-I125 HydrophobicContact CG1-CD1 3.46Å; V120-I125 VanDerWaalsContact CG1-CD1 3.46Å; R122-I125 PolarHBondContact O-N 2.83Å; I125-M130 HydrophobicContact CG2-CG 3.66Å; I125-M130 HydrophobicContact CG2-SD 3.5Å; I125-M130 VanDerWaalsContact CG2-SD 3.5Å | ||
| 126 | T | 89.2 | Confident | 86.7 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | trans | -89.7 | 163.8 | 179.2 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | L128 T129 M130 | T126-L128 PolarHBondContact O-N 3.35Å; T126-L128 PolarHBondContact OG1-N 3.28Å; T126-T129 WeakPolarHBondContact O-CB 3.39Å; T126-T129 PolarHBondContact O-N 3.18Å; T126-T129 PolarHBondContact OG1-N 3.42Å; T126-T129 PolarHBondContact OG1-OG1 3.2Å; T126-M130 PolarHBondContact O-N 2.9Å | ||
| 127 | C | 88.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 172 | -63.7 | 0 | 0 | 0 | 0 | 112 | L109 M130 K131 | L109-C127 HydrophobicContact CB-CB 4.26Å; L109-C127 HydrophobicContact CD1-CB 3.98Å; L109-C127 WeakPolarHBondContact CD1-O 3.38Å; C127-M130 PolarHBondContact O-N 3.47Å; C127-K131 WeakPolarHBondContact O-CB 3.38Å; C127-K131 PolarHBondContact O-N 3.12Å |
| 128 | L | 90.8 | Very high | 87.3 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.3 | 179.4 | 61.2 | 0 | 0 | 0 | 111 | T126 M130 K131 E132 | T126-L128 PolarHBondContact O-N 3.35Å; T126-L128 PolarHBondContact OG1-N 3.28Å; L128-M130 VanDerWaalsContact C-N 3.34Å; L128-M130 PolarHBondContact O-N 2.83Å; L128-K131 WeakPolarHBondContact O-CB 3.27Å; L128-K131 PolarHBondContact O-N 2.68Å; L128-E132 PolarHBondContact O-N 2.97Å |
| 129 | T | 91.6 | Very high | 88.2 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 26% | 0.258 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 176.8 | -49 | 0 | 0 | 0 | 0 | 111.8 | F37 T126 K131 E132 A133 | F37-T129 HydrophobicContact CE1-CG2 3.86Å; F37-T129 HydrophobicContact CE2-CG2 4.05Å; F37-T129 HydrophobicContact CZ-CG2 3.22Å; T126-T129 WeakPolarHBondContact O-CB 3.39Å; T126-T129 PolarHBondContact O-N 3.18Å; T126-T129 PolarHBondContact OG1-N 3.42Å; T126-T129 PolarHBondContact OG1-OG1 3.2Å; T129-K131 VanDerWaalsContact C-N 3.34Å; T129-K131 PolarHBondContact O-N 3.13Å; T129-E132 PolarHBondContact O-N 2.71Å; T129-A133 VanDerWaalsContact O-CB 3.28Å; T129-A133 WeakPolarHBondContact O-CB 3.3Å; T129-A133 PolarHBondContact O-N 2.75Å |
| 130 | M | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 176.5 | -69.6 | -59.1 | -66 | 0 | 0 | 112.5 | L109 L112 R113 L116 I125 T126 C127 L128 A133 Y134 | L109-M130 HydrophobicContact CB-CB 4.34Å; L109-M130 HydrophobicContact CD2-CB 4.05Å; L112-M130 HydrophobicContact CB-CE 3.54Å; R113-M130 HydrophobicContact CB-CE 4.27Å; R113-M130 HydrophobicContact CB-CG 4.3Å; R113-M130 HydrophobicContact CB-SD 4.35Å; L116-M130 HydrophobicContact CD1-SD 4.13Å; I125-M130 HydrophobicContact CG2-CG 3.66Å; I125-M130 HydrophobicContact CG2-SD 3.5Å; I125-M130 VanDerWaalsContact CG2-SD 3.5Å; T126-M130 PolarHBondContact O-N 2.9Å; C127-M130 PolarHBondContact O-N 3.47Å; L128-M130 VanDerWaalsContact C-N 3.34Å; L128-M130 PolarHBondContact O-N 2.83Å; M130-A133 PolarHBondContact O-N 3.5Å; M130-Y134 HydrophobicContact CE-CD2 3.45Å; M130-Y134 VanDerWaalsContact CE-CD2 3.45Å; M130-Y134 HydrophobicContact CE-CE2 3.51Å; M130-Y134 PolarHBondContact O-N 3.24Å; M130-Y134 HydrophobicContact SD-CD2 4.03Å; M130-Y134 HydrophobicContact SD-CE2 3.83Å |
| 131 | K | 93.6 | Very high | 89.7 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 175.8 | 174.3 | -171.7 | 172.6 | -163.6 | 0 | 110.5 | L109 C127 L128 T129 A133 V135 M138 | L109-K131 HydrophobicContact CD1-CB 4.08Å; L109-K131 HydrophobicContact CD2-CB 4.06Å; C127-K131 WeakPolarHBondContact O-CB 3.38Å; C127-K131 PolarHBondContact O-N 3.12Å; L128-K131 WeakPolarHBondContact O-CB 3.27Å; L128-K131 PolarHBondContact O-N 2.68Å; T129-K131 VanDerWaalsContact C-N 3.34Å; T129-K131 PolarHBondContact O-N 3.13Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 PolarHBondContact O-N 3.34Å; K131-V135 HydrophobicContact CG-CB 4.39Å; K131-V135 VanDerWaalsContact O-CB 3.29Å; K131-V135 WeakPolarHBondContact O-CB 2.96Å; K131-V135 PolarHBondContact O-N 3.13Å; K131-M138 HydrophobicContact CB-CE 4.39Å; K131-M138 HydrophobicContact CD-CE 4.36Å; K131-M138 HydrophobicContact CD-SD 4.19Å; K131-M138 HydrophobicContact CG-CE 3.93Å; K131-M138 HydrophobicContact CG-SD 4.28Å |
| 132 | E | 91.8 | Very high | 90.4 | Very high | 120 Ų | 120 | 74.8 Ų | 74.8 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.6 | -35.9 | -178.5 | -70.5 | 175.4 | 172.5 | 0 | 0 | 112.5 | R34 L128 T129 | R34-E132 WeakPolarHBondContact CD-O 3.29Å; L128-E132 PolarHBondContact O-N 2.97Å; T129-E132 PolarHBondContact O-N 2.71Å |
| 133 | A | 91.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75 | -45.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R34 F37 T129 M130 K131 | R34-A133 WeakPolarHBondContact CG-O 3.44Å; R34-A133 PolarHBondContact N-O 3.3Å; F37-A133 HydrophobicContact CB-CB 4Å; F37-A133 HydrophobicContact CD1-CB 3.75Å; F37-A133 HydrophobicContact CD2-CB 3.64Å; F37-A133 HydrophobicContact CE1-CB 4.19Å; F37-A133 HydrophobicContact CE2-CB 4.09Å; F37-A133 HydrophobicContact CG-CB 3.47Å; F37-A133 VanDerWaalsContact CG-CB 3.47Å; F37-A133 HydrophobicContact CZ-CB 4.38Å; T129-A133 VanDerWaalsContact O-CB 3.28Å; T129-A133 WeakPolarHBondContact O-CB 3.3Å; T129-A133 PolarHBondContact O-N 2.75Å; M130-A133 PolarHBondContact O-N 3.5Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 PolarHBondContact O-N 3.34Å |
| 134 | Y | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -117.7 | -14.3 | -165.9 | -63.9 | -76.3 | 0 | 0 | 0 | 114.9 | I31 F37 P38 L40 L116 M130 L153 S154 | I31-Y134 HydrophobicContact CG2-CD1 4.17Å; F37-Y134 HydrophobicContact CB-CE2 4.35Å; F37-Y134 AromaticContact CD1-CE2 3.93Å; F37-Y134 HydrophobicContact CD1-CE2 3.93Å; F37-Y134 HydrophobicContact CG-CE2 4.44Å; P38-Y134 WeakPolarHBondContact CD-OH 3.44Å; P38-Y134 VanDerWaalsContact O-CE1 3.3Å; P38-Y134 WeakPolarHBondContact O-CE1 3.42Å; P38-Y134 PolarHBondContact O-OH 2.92Å; L40-Y134 HydrophobicContact CD1-CD1 3.93Å; L40-Y134 HydrophobicContact CD1-CE1 3.82Å; L40-Y134 HydrophobicContact CD1-CE2 4.5Å; L40-Y134 HydrophobicContact CD1-CG 4.31Å; L40-Y134 HydrophobicContact CD2-CE1 4.23Å; L40-Y134 HydrophobicContact CG-CD1 4.18Å; L40-Y134 HydrophobicContact CG-CE1 3.61Å; L116-Y134 HydrophobicContact CD2-CE2 4.29Å; L116-Y134 VanDerWaalsContact CD2-OH 3.29Å; L116-Y134 WeakPolarHBondContact CD2-OH 3.37Å; M130-Y134 HydrophobicContact CE-CD2 3.45Å; M130-Y134 VanDerWaalsContact CE-CD2 3.45Å; M130-Y134 HydrophobicContact CE-CE2 3.51Å; M130-Y134 PolarHBondContact O-N 3.24Å; M130-Y134 HydrophobicContact SD-CD2 4.03Å; M130-Y134 HydrophobicContact SD-CE2 3.83Å; Y134-L153 WeakPolarHBondContact O-CA 3.46Å; Y134-S154 WeakPolarHBondContact O-CB 3.11Å; Y134-S154 PolarHBondContact O-N 3.12Å |
| 135 | V | 93.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.6 | -175 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | L109 K131 M138 I151 L153 | L109-V135 HydrophobicContact CD2-CG2 3.77Å; K131-V135 HydrophobicContact CG-CB 4.39Å; K131-V135 VanDerWaalsContact O-CB 3.29Å; K131-V135 WeakPolarHBondContact O-CB 2.96Å; K131-V135 PolarHBondContact O-N 3.13Å; V135-M138 HydrophobicContact CB-CE 4.07Å; V135-M138 HydrophobicContact CG1-CE 3.71Å; V135-M138 HydrophobicContact CG1-CG 3.54Å; V135-M138 HydrophobicContact CG1-SD 4.37Å; V135-M138 HydrophobicContact CG2-CE 3.75Å; V135-I151 HydrophobicContact CG1-CG2 3.94Å; V135-I151 HydrophobicContact CG2-CG2 4.07Å; V135-L153 HydrophobicContact CG2-CD2 4.08Å |
| 136 | Q | 89.9 | Confident | 92 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -43.5 | 176.7 | -178.8 | 173.7 | -11.8 | 0 | 0 | 111.4 | L152 | Q136-L152 PolarHBondContact N-O 3.33Å |
| 137 | K | 90.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 68.1 Ų | 68.1 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 139.7 | -176.8 | -171 | -179.3 | 179.4 | -174.2 | 0 | 110.6 | V139 L152 | K137-V139 HydrophobicContact CD-CG2 4.25Å; K137-V139 HydrophobicContact CG-CG2 4.15Å; K137-L152 HydrophobicContact CB-CB 4.02Å; K137-L152 HydrophobicContact CB-CD2 4.35Å; K137-L152 PolarHBondContact N-O 3.48Å; K137-L152 PolarHBondContact O-N 3.21Å |
| 138 | M | 94.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.1 | 166.9 | -65.7 | -174 | 167.8 | 0 | 0 | 109.1 | K105 L109 K131 V135 L150 I151 | K105-M138 HydrophobicContact CD-SD 4.21Å; K105-M138 HydrophobicContact CG-CE 4.22Å; K105-M138 HydrophobicContact CG-SD 4.36Å; L109-M138 HydrophobicContact CD1-CE 4.18Å; L109-M138 HydrophobicContact CD2-CE 4.06Å; L109-M138 HydrophobicContact CG-CE 4.32Å; K131-M138 HydrophobicContact CB-CE 4.39Å; K131-M138 HydrophobicContact CD-CE 4.36Å; K131-M138 HydrophobicContact CD-SD 4.19Å; K131-M138 HydrophobicContact CG-CE 3.93Å; K131-M138 HydrophobicContact CG-SD 4.28Å; V135-M138 HydrophobicContact CB-CE 4.07Å; V135-M138 HydrophobicContact CG1-CE 3.71Å; V135-M138 HydrophobicContact CG1-CG 3.54Å; V135-M138 HydrophobicContact CG1-SD 4.37Å; V135-M138 HydrophobicContact CG2-CE 3.75Å; M138-L150 CarbonylContact C-O 3.49Å; M138-L150 VanDerWaalsContact CA-O 3.28Å; M138-L150 WeakPolarHBondContact CA-O 3.45Å; M138-I151 HydrophobicContact CE-CD1 4.23Å; M138-I151 HydrophobicContact CE-CG1 4.4Å; M138-I151 HydrophobicContact CE-CG2 4.08Å; M138-I151 HydrophobicContact CG-CG1 4.33Å; M138-I151 HydrophobicContact CG-CG2 4.48Å |
| 139 | V | 94.8 | Very high | 93 | Very high | 38 Ų | 38 | 64 Ų | 64 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.6 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | K137 V141 W148 S149 L150 | K137-V139 HydrophobicContact CD-CG2 4.25Å; K137-V139 HydrophobicContact CG-CG2 4.15Å; V139-V141 HydrophobicContact CG1-CG2 4.15Å; V139-W148 HydrophobicContact CB-CH2 4.44Å; V139-W148 HydrophobicContact CB-CZ3 4.25Å; V139-W148 HydrophobicContact CG1-CH2 3.87Å; V139-W148 HydrophobicContact CG1-CZ3 4.09Å; V139-S149 CarbonylContact O-C 3.59Å; V139-S149 VanDerWaalsContact O-CA 3.29Å; V139-S149 WeakPolarHBondContact O-CA 3.47Å; V139-S149 PolarHBondContact O-OG 3.41Å; V139-L150 HydrophobicContact CB-CB 4.3Å; V139-L150 HydrophobicContact CG2-CD2 4.44Å; V139-L150 PolarHBondContact N-O 3.32Å; V139-L150 PolarHBondContact O-N 3.38Å |
| 140 | K | 95.2 | Very high | 93.2 | Very high | 148 Ų | 148 | 63 Ų | 63 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.5 | 170.8 | 66.2 | -177.9 | -176.4 | 176.2 | 0 | 108.6 | ||
| 141 | V | 94.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 63 Ų | 63 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.7 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V139 D146 R147 W148 | V139-V141 HydrophobicContact CG1-CG2 4.15Å; V141-D146 HydrophobicContact CG1-CB 3.81Å; V141-R147 WeakPolarHBondContact O-CA 2.88Å; V141-W148 HydrophobicContact CB-CD2 4.27Å; V141-W148 HydrophobicContact CB-CG 4.39Å; V141-W148 HydrophobicContact CB-CZ2 4.25Å; V141-W148 HydrophobicContact CG2-CD2 4.24Å; V141-W148 HydrophobicContact CG2-CH2 4.12Å; V141-W148 HydrophobicContact CG2-CZ2 3.48Å; V141-W148 VanDerWaalsContact CG2-CZ2 3.48Å; V141-W148 PolarHBondContact N-O 3.24Å; V141-W148 PolarHBondContact O-N 3.28Å |
| 142 | F | 93.6 | Very high | 93.3 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 100.4 | 176.4 | -171.2 | -97.9 | 0 | 0 | 0 | 108.7 | Q98 F101 R147 | Q98-F142 HydrophobicContact CB-CD1 4.49Å; F101-F142 HydrophobicContact CE2-CB 3.71Å; F101-F142 AromaticContact CE2-CD2 3.46Å; F101-F142 HydrophobicContact CE2-CD2 3.46Å; F101-F142 VanDerWaalsContact CE2-CD2 3.46Å; F101-F142 HydrophobicContact CE2-CE2 4.36Å; F101-F142 AromaticContact CE2-CG 3.91Å; F101-F142 HydrophobicContact CE2-CG 3.91Å; F101-F142 HydrophobicContact CZ-CB 4.19Å; F101-F142 AromaticContact CZ-CD2 3.97Å; F101-F142 HydrophobicContact CZ-CD2 3.97Å; F142-R147 HydrophobicContact CD2-CB 4.37Å; F142-R147 HydrophobicContact CD2-CG 3.9Å; F142-R147 HydrophobicContact CE2-CG 4.15Å |
| 143 | N | 92.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -141.1 | -172.8 | 173.2 | 67.2 | 51.9 | 0 | 0 | 0 | 109.6 | H145 D146 R147 | N143-H145 VanDerWaalsContact C-N 3.27Å; N143-H145 PolarHBondContact O-N 3.47Å; N143-H145 PolarHBondContact OD1-N 3.05Å; N143-D146 PolarHBondContact N-O 3.2Å; N143-D146 PolarHBondContact OD1-N 2.96Å; N143-R147 WeakPolarHBondContact O-CG 3.46Å; N143-R147 PolarHBondContact O-NE 2.89Å |
| 144 | E | 89 | Confident | 92.7 | Very high | 167 Ų | 167 | 55 Ų | 55 | 78% | 0.78 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -63.4 | -30.9 | -176.4 | -64.7 | -176.3 | 172.1 | 0 | 0 | 113.6 | ||
| 145 | H | 89.3 | Confident | 91.6 | Very high | 117 Ų | 117 | 55.1 Ų | 55.1 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -107.2 | -34.5 | -173.9 | -56.2 | -49.1 | 0 | 0 | 0 | 112.9 | N143 S168 | N143-H145 VanDerWaalsContact C-N 3.27Å; N143-H145 PolarHBondContact O-N 3.47Å; N143-H145 PolarHBondContact OD1-N 3.05Å; H145-S168 WeakPolarHBondContact O-CB 3.22Å; H145-S168 PolarHBondContact O-OG 2.9Å |
| 146 | D | 93.1 | Very high | 90.3 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | trans | -120.3 | 119.5 | -174.9 | -62.3 | -54.4 | 0 | 0 | 0 | 110.7 | V141 N143 S168 R170 | V141-D146 HydrophobicContact CG1-CB 3.81Å; N143-D146 PolarHBondContact N-O 3.2Å; N143-D146 PolarHBondContact OD1-N 2.96Å; D146-S168 WeakPolarHBondContact CA-O 3.35Å; D146-R170 WeakPolarHBondContact OD1-CB 3.19Å; D146-R170 PolarHBondContact OD1-N 2.78Å | ||
| 147 | R | 95.6 | Very high | 89 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 95.5 | 175.9 | -62.5 | -176 | -171.6 | -177.3 | 6.5 | 109 | V141 F142 N143 S167 S168 | V141-R147 WeakPolarHBondContact O-CA 2.88Å; F142-R147 HydrophobicContact CD2-CB 4.37Å; F142-R147 HydrophobicContact CD2-CG 3.9Å; F142-R147 HydrophobicContact CE2-CG 4.15Å; N143-R147 WeakPolarHBondContact O-CG 3.46Å; N143-R147 PolarHBondContact O-NE 2.89Å; R147-S167 WeakPolarHBondContact O-CB 3.41Å; R147-S167 PolarHBondContact O-N 2.83Å; R147-S168 CarbonylContact C-O 3.53Å; R147-S168 PolarHBondContact N-O 3.35Å; R147-S168 PolarHBondContact N-OG 2.88Å; R147-S168 VanDerWaalsContact N-OG 3.11Å; R147-S168 PolarHBondContact O-N 2.83Å; R147-S168 VanDerWaalsContact O-N 3.16Å |
| 148 | W | 96.4 | Very high | 87.7 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 20% | 0.201 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 159.7 | -177.9 | 62.5 | -87.5 | 0 | 0 | 0 | 113.3 | F101 V139 V141 L150 F165 V166 L169 | F101-W148 WeakPolarHBondContact CE1-O 3.33Å; V139-W148 HydrophobicContact CB-CH2 4.44Å; V139-W148 HydrophobicContact CB-CZ3 4.25Å; V139-W148 HydrophobicContact CG1-CH2 3.87Å; V139-W148 HydrophobicContact CG1-CZ3 4.09Å; V141-W148 HydrophobicContact CB-CD2 4.27Å; V141-W148 HydrophobicContact CB-CG 4.39Å; V141-W148 HydrophobicContact CB-CZ2 4.25Å; V141-W148 HydrophobicContact CG2-CD2 4.24Å; V141-W148 HydrophobicContact CG2-CH2 4.12Å; V141-W148 HydrophobicContact CG2-CZ2 3.48Å; V141-W148 VanDerWaalsContact CG2-CZ2 3.48Å; V141-W148 PolarHBondContact N-O 3.24Å; V141-W148 PolarHBondContact O-N 3.28Å; W148-L150 HydrophobicContact CE3-CB 4.26Å; W148-L150 HydrophobicContact CZ3-CB 3.76Å; W148-F165 CarbonylContact C-O 3.58Å; W148-F165 WeakPolarHBondContact CA-O 3.34Å; W148-F165 WeakPolarHBondContact CB-O 3.41Å; W148-V166 HydrophobicContact CB-CB 4.45Å; W148-V166 HydrophobicContact CB-CG2 4.11Å; W148-L169 HydrophobicContact CG-CD1 4.27Å |
| 149 | S | 97.1 | Very high | 86.8 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.2 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | V139 R164 F165 | V139-S149 CarbonylContact O-C 3.59Å; V139-S149 VanDerWaalsContact O-CA 3.29Å; V139-S149 WeakPolarHBondContact O-CA 3.47Å; V139-S149 PolarHBondContact O-OG 3.41Å; S149-R164 CarbonylContact O-C 3.56Å; S149-R164 VanDerWaalsContact O-CA 3.3Å; S149-R164 WeakPolarHBondContact O-CA 3.44Å; S149-F165 PolarHBondContact N-O 2.57Å; S149-F165 PolarHBondContact O-N 2.97Å |
| 150 | L | 96.3 | Very high | 86.3 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132 | 176.2 | 166.7 | 68 | 0 | 0 | 0 | 109.2 | M138 V139 W148 L163 R164 | M138-L150 CarbonylContact C-O 3.49Å; M138-L150 VanDerWaalsContact CA-O 3.28Å; M138-L150 WeakPolarHBondContact CA-O 3.45Å; V139-L150 HydrophobicContact CB-CB 4.3Å; V139-L150 HydrophobicContact CG2-CD2 4.44Å; V139-L150 PolarHBondContact N-O 3.32Å; V139-L150 PolarHBondContact O-N 3.38Å; W148-L150 HydrophobicContact CE3-CB 4.26Å; W148-L150 HydrophobicContact CZ3-CB 3.76Å; L150-L163 WeakPolarHBondContact CA-O 3.48Å; L150-R164 HydrophobicContact CB-CG 4.28Å; L150-R164 HydrophobicContact CD1-CG 3.5Å; L150-R164 HydrophobicContact CG-CG 4.42Å |
| 151 | I | 96.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 112.7 | 169.1 | -57.6 | -179.6 | 0 | 0 | 0 | 107.7 | V108 V135 M138 L153 L163 | V108-I151 HydrophobicContact CB-CD1 3.8Å; V108-I151 HydrophobicContact CG1-CD1 3.9Å; V108-I151 HydrophobicContact CG1-CG2 4.18Å; V108-I151 HydrophobicContact CG2-CD1 3.98Å; V135-I151 HydrophobicContact CG1-CG2 3.94Å; V135-I151 HydrophobicContact CG2-CG2 4.07Å; M138-I151 HydrophobicContact CE-CD1 4.23Å; M138-I151 HydrophobicContact CE-CG1 4.4Å; M138-I151 HydrophobicContact CE-CG2 4.08Å; M138-I151 HydrophobicContact CG-CG1 4.33Å; M138-I151 HydrophobicContact CG-CG2 4.48Å; I151-L153 HydrophobicContact CG2-CD2 3.98Å; I151-L163 PolarHBondContact N-O 3.48Å; I151-L163 PolarHBondContact O-N 2.88Å |
| 152 | L | 92.9 | Very high | 86.1 | Confident | 31 Ų | 31 | 51 Ų | 51 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.4 | 177.4 | -169.3 | 69.9 | 0 | 0 | 0 | 109.7 | Q136 K137 | Q136-L152 PolarHBondContact N-O 3.33Å; K137-L152 HydrophobicContact CB-CB 4.02Å; K137-L152 HydrophobicContact CB-CD2 4.35Å; K137-L152 PolarHBondContact N-O 3.48Å; K137-L152 PolarHBondContact O-N 3.21Å |
| 153 | L | 91.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 141 | -179.1 | -52.4 | -179.8 | 0 | 0 | 0 | 110.8 | I31 I47 L112 Y134 V135 I151 V161 | I31-L153 HydrophobicContact CD1-CB 4.4Å; I31-L153 HydrophobicContact CD1-CD1 3.67Å; I31-L153 HydrophobicContact CG2-CB 4Å; I47-L153 HydrophobicContact CD1-CD1 4.04Å; L112-L153 HydrophobicContact CD1-CD1 4.46Å; L112-L153 HydrophobicContact CD1-CD2 3.67Å; L112-L153 HydrophobicContact CD2-CD1 3.82Å; Y134-L153 WeakPolarHBondContact O-CA 3.46Å; V135-L153 HydrophobicContact CG2-CD2 4.08Å; I151-L153 HydrophobicContact CG2-CD2 3.98Å; L153-V161 HydrophobicContact CB-CB 4.27Å; L153-V161 HydrophobicContact CD1-CB 4.2Å; L153-V161 HydrophobicContact CD1-CG1 4.17Å; L153-V161 HydrophobicContact CG-CB 4.48Å; L153-V161 PolarHBondContact N-O 3.39Å |
| 154 | S | 77.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 130.7 | -177.1 | 179.1 | 0 | 0 | 0 | 0 | 111 | I31 H32 Y134 | I31-S154 VanDerWaalsContact CG2-O 3.22Å; I31-S154 WeakPolarHBondContact CG2-O 3.46Å; H32-S154 PolarHBondContact N-O 2.81Å; H32-S154 VanDerWaalsContact N-O 3.1Å; Y134-S154 WeakPolarHBondContact O-CB 3.11Å; Y134-S154 PolarHBondContact O-N 3.12Å |
| 155 | N | 69.9 | Low | 86.9 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -142.7 | 63.1 | 170.2 | -175.9 | 7.2 | 0 | 0 | 0 | 111.6 | P30 H32 R157 S158 K159 | P30-N155 PolarHBondContact O-ND2 2.61Å; P30-N155 PolarHBondContact O-OD1 3.4Å; H32-N155 PolarHBondContact CE1-OD1 2.88Å; H32-N155 VanDerWaalsContact CE1-OD1 3.25Å; H32-N155 PolarHBondContact ND1-OD1 2.9Å; N155-R157 CarbonylContact O-C 3.49Å; N155-R157 WeakPolarHBondContact O-CA 3.07Å; N155-R157 PolarHBondContact O-N 3.47Å; N155-S158 PolarHBondContact ND2-OG 2.76Å; N155-S158 PolarHBondContact O-N 2.85Å; N155-S158 PolarHBondContact OD1-OG 2.69Å; N155-K159 WeakPolarHBondContact CB-O 3.45Å; N155-K159 VanDerWaalsContact CG-O 3.24Å; N155-K159 WeakPolarHBondContact ND2-CA 3.44Å; N155-K159 PolarHBondContact ND2-N 3.43Å; N155-K159 PolarHBondContact ND2-O 2.75Å | ||
| 156 | N | 66.3 | Low | 87.2 | Confident | 102 Ų | 102 | 35 Ų | 35 | 55% | 0.545 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 22.5 | 48.4 | 167.3 | -73.4 | -2.5 | 0 | 0 | 0 | 115.7 | H32 | H32-N156 HydrophobicContact CB-CB 4.06Å; H32-N156 VanDerWaalsContact CB-CG 3.5Å; H32-N156 WeakPolarHBondContact CB-ND2 3.39Å; H32-N156 PolarHBondContact CD2-ND2 3.47Å |
| 157 | R | 62.2 | Low | 87.3 | Confident | 163 Ų | 163 | 36 Ų | 36 | 62% | 0.615 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 23.2 | 178.8 | -34.4 | 178.4 | 174.6 | -178.1 | -2.6 | 118 | N155 I295 | N155-R157 CarbonylContact O-C 3.49Å; N155-R157 WeakPolarHBondContact O-CA 3.07Å; N155-R157 PolarHBondContact O-N 3.47Å; R157-I295 HydrophobicContact CB-CB 4.35Å; R157-I295 HydrophobicContact CB-CD1 3.74Å; R157-I295 HydrophobicContact CB-CG1 3.97Å; R157-I295 HydrophobicContact CB-CG2 3.57Å; R157-I295 WeakPolarHBondContact O-CD1 3.22Å; R157-I295 WeakPolarHBondContact O-CG2 2.97Å |
| 158 | S | 63.4 | Low | 87.2 | Confident | 58 Ų | 58 | 33.9 Ų | 33.9 | 41% | 0.406 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -106.2 | -68.3 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | N155 | N155-S158 PolarHBondContact ND2-OG 2.76Å; N155-S158 PolarHBondContact O-N 2.85Å; N155-S158 PolarHBondContact OD1-OG 2.69Å |
| 159 | K | 75.6 | Confident | 87 | Confident | 46 Ų | 46 | 33.3 Ų | 33.3 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | trans | -136.9 | 112 | 180 | -70.1 | -173.8 | 171.4 | -177 | 0 | 113 | E27 I29 R85 N155 | E27-K159 IonicContact OE1-NZ 2.8Å; E27-K159 PolarHBondContact OE1-NZ 3.34Å; E27-K159 IonicContact OE2-NZ 2.72Å; E27-K159 PolarHBondContact OE2-NZ 3.4Å; I29-K159 HydrophobicContact CG2-CB 4.33Å; R85-K159 CarbonylContact O-C 3.25Å; R85-K159 WeakPolarHBondContact O-CA 3.28Å; R85-K159 VanDerWaalsContact O-CB 3.27Å; R85-K159 WeakPolarHBondContact O-CB 3.4Å; N155-K159 WeakPolarHBondContact CB-O 3.45Å; N155-K159 VanDerWaalsContact CG-O 3.24Å; N155-K159 WeakPolarHBondContact ND2-CA 3.44Å; N155-K159 PolarHBondContact ND2-N 3.43Å; N155-K159 PolarHBondContact ND2-O 2.75Å | ||
| 160 | T | 83.5 | Confident | 86.6 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 17% | 0.172 | 20% | 0.195 | C | C | . | . | trans | -82 | 148.9 | 179.6 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | R85 D86 L87 | R85-T160 PolarHBondContact O-N 3.48Å; D86-T160 WeakPolarHBondContact OD1-CB 3.27Å; D86-T160 PolarHBondContact OD1-N 2.8Å; D86-T160 PolarHBondContact OD1-OG1 3.47Å; L87-T160 PolarHBondContact N-O 3.1Å | ||
| 161 | V | 91.5 | Very high | 86.1 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.7 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | I29 L87 L153 L163 | I29-V161 HydrophobicContact CD1-CG2 4.18Å; I29-V161 HydrophobicContact CG2-CG2 3.85Å; L87-V161 HydrophobicContact CB-CG2 4.44Å; L87-V161 HydrophobicContact CD2-CG1 4.31Å; L87-V161 HydrophobicContact CD2-CG2 4.47Å; L87-V161 CarbonylContact O-C 3.55Å; L87-V161 WeakPolarHBondContact O-CA 3.43Å; L153-V161 HydrophobicContact CB-CB 4.27Å; L153-V161 HydrophobicContact CD1-CB 4.2Å; L153-V161 HydrophobicContact CD1-CG1 4.17Å; L153-V161 HydrophobicContact CG-CB 4.48Å; L153-V161 PolarHBondContact N-O 3.39Å; V161-L163 HydrophobicContact CG1-CD2 4.16Å |
| 162 | G | 94.1 | Very high | 85.7 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | L87 I89 | L87-G162 PolarHBondContact O-N 3.12Å; I89-G162 PolarHBondContact N-O 3.32Å |
| 163 | L | 96.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.1 | 169.6 | -53.1 | 178.4 | 0 | 0 | 0 | 108.1 | I47 I89 F91 V108 L150 I151 V161 F165 | I47-L163 HydrophobicContact CD1-CD1 3.99Å; I47-L163 HydrophobicContact CG1-CD1 4.45Å; I89-L163 HydrophobicContact CB-CD2 4.25Å; F91-L163 HydrophobicContact CE2-CB 4.44Å; F91-L163 HydrophobicContact CE2-CD2 4.09Å; V108-L163 HydrophobicContact CG1-CD1 3.84Å; V108-L163 HydrophobicContact CG2-CD1 4.26Å; L150-L163 WeakPolarHBondContact CA-O 3.48Å; I151-L163 PolarHBondContact N-O 3.48Å; I151-L163 PolarHBondContact O-N 2.88Å; V161-L163 HydrophobicContact CG1-CD2 4.16Å; L163-F165 HydrophobicContact CB-CE2 3.81Å; L163-F165 HydrophobicContact CB-CZ 4Å |
| 164 | R | 97 | Very high | 85.5 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.6 | 176.7 | -68.9 | -173.8 | -170 | 143.4 | 19.8 | 110.1 | N68 D88 I89 I90 F91 S149 L150 V166 | N68-R164 PolarHBondContact ND2-NH1 2.88Å; D88-R164 WeakPolarHBondContact OD1-CD 3.45Å; D88-R164 IonicContact OD1-CZ 2.63Å; D88-R164 IonicContact OD1-NE 2.88Å; D88-R164 PolarHBondContact OD1-NE 2.98Å; D88-R164 VanDerWaalsContact OD1-NE 3.1Å; D88-R164 IonicContact OD1-NH1 3.78Å; D88-R164 PolarHBondContact OD1-NH1 2.68Å; D88-R164 IonicContact OD1-NH2 2.75Å; D88-R164 PolarHBondContact OD1-NH2 3.03Å; D88-R164 VanDerWaalsContact OD1-NH2 3.08Å; D88-R164 IonicContact OD2-CZ 3.6Å; D88-R164 IonicContact OD2-NE 3.45Å; D88-R164 IonicContact OD2-NH1 2.9Å; D88-R164 PolarHBondContact OD2-NH1 2.8Å; D88-R164 IonicContact OD2-NH2 3.2Å; D88-R164 PolarHBondContact OD2-NH2 2.87Å; I89-R164 PolarHBondContact O-N 3.48Å; I90-R164 CarbonylContact C-O 3.54Å; I90-R164 WeakPolarHBondContact CA-O 3.29Å; I90-R164 HydrophobicContact CG1-CB 4.17Å; F91-R164 PolarHBondContact N-O 3.5Å; S149-R164 CarbonylContact O-C 3.56Å; S149-R164 VanDerWaalsContact O-CA 3.3Å; S149-R164 WeakPolarHBondContact O-CA 3.44Å; L150-R164 HydrophobicContact CB-CG 4.28Å; L150-R164 HydrophobicContact CD1-CG 3.5Å; L150-R164 HydrophobicContact CG-CG 4.42Å; R164-V166 HydrophobicContact CB-CG2 4.24Å |
| 165 | F | 97.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 107 | 177.4 | -58.3 | -87.6 | 0 | 0 | 0 | 106.8 | V51 L55 F91 V93 I104 V108 W148 S149 L163 | V51-F165 HydrophobicContact CG1-CE1 3.82Å; V51-F165 HydrophobicContact CG1-CZ 3.99Å; L55-F165 HydrophobicContact CD1-CD1 4.09Å; L55-F165 HydrophobicContact CD1-CE1 3.82Å; F91-F165 HydrophobicContact CB-CD1 3.78Å; F91-F165 HydrophobicContact CB-CE1 4.1Å; F91-F165 HydrophobicContact CD1-CE1 4.46Å; F91-F165 HydrophobicContact CD2-CD1 4.06Å; F91-F165 AromaticContact CD2-CE1 3.63Å; F91-F165 HydrophobicContact CD2-CE1 3.63Å; F91-F165 HydrophobicContact CD2-CZ 4.07Å; F91-F165 HydrophobicContact CE2-CE1 4.15Å; F91-F165 HydrophobicContact CE2-CZ 4.29Å; F91-F165 HydrophobicContact CG-CD1 4.03Å; F91-F165 AromaticContact CG-CE1 3.81Å; F91-F165 HydrophobicContact CG-CE1 3.81Å; F91-F165 WeakPolarHBondContact O-CA 3.14Å; V93-F165 HydrophobicContact CG1-CD1 4.49Å; V93-F165 HydrophobicContact CG2-CB 3.89Å; I104-F165 HydrophobicContact CD1-CB 3.74Å; I104-F165 HydrophobicContact CD1-CD1 4.41Å; I104-F165 HydrophobicContact CD1-CG 4.03Å; I104-F165 HydrophobicContact CG1-CD1 4.39Å; I104-F165 HydrophobicContact CG1-CG 4.34Å; I104-F165 HydrophobicContact CG2-CB 4.4Å; I104-F165 HydrophobicContact CG2-CD1 4.04Å; I104-F165 HydrophobicContact CG2-CD2 3.39Å; I104-F165 HydrophobicContact CG2-CE1 4.2Å; I104-F165 HydrophobicContact CG2-CE2 3.56Å; I104-F165 HydrophobicContact CG2-CG 3.65Å; I104-F165 HydrophobicContact CG2-CZ 3.97Å; V108-F165 HydrophobicContact CG2-CE1 4.41Å; V108-F165 HydrophobicContact CG2-CE2 3.76Å; V108-F165 HydrophobicContact CG2-CZ 3.39Å; W148-F165 CarbonylContact C-O 3.58Å; W148-F165 WeakPolarHBondContact CA-O 3.34Å; W148-F165 WeakPolarHBondContact CB-O 3.41Å; S149-F165 PolarHBondContact N-O 2.57Å; S149-F165 PolarHBondContact O-N 2.97Å; L163-F165 HydrophobicContact CB-CE2 3.81Å; L163-F165 HydrophobicContact CB-CZ 4Å |
| 166 | V | 96.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 47 Ų | 47 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.5 | -167.8 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | I90 F91 G92 V93 W148 R164 L169 | I90-V166 HydrophobicContact CG2-CB 4.09Å; I90-V166 HydrophobicContact CG2-CG2 3.84Å; F91-V166 PolarHBondContact O-N 2.86Å; G92-V166 WeakPolarHBondContact CA-O 3.43Å; V93-V166 PolarHBondContact N-O 3.5Å; W148-V166 HydrophobicContact CB-CB 4.45Å; W148-V166 HydrophobicContact CB-CG2 4.11Å; R164-V166 HydrophobicContact CB-CG2 4.24Å; V166-L169 HydrophobicContact CG1-CB 3.66Å |
| 167 | S | 95.5 | Very high | 88.8 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -48.3 | 168.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | V93 R147 | V93-S167 WeakPolarHBondContact O-CA 3.43Å; V93-S167 WeakPolarHBondContact O-CB 3.34Å; R147-S167 WeakPolarHBondContact O-CB 3.41Å; R147-S167 PolarHBondContact O-N 2.83Å |
| 168 | S | 93.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137.5 | 170 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | H145 D146 R147 | H145-S168 WeakPolarHBondContact O-CB 3.22Å; H145-S168 PolarHBondContact O-OG 2.9Å; D146-S168 WeakPolarHBondContact CA-O 3.35Å; R147-S168 CarbonylContact C-O 3.53Å; R147-S168 PolarHBondContact N-O 3.35Å; R147-S168 PolarHBondContact N-OG 2.88Å; R147-S168 VanDerWaalsContact N-OG 3.11Å; R147-S168 PolarHBondContact O-N 2.83Å; R147-S168 VanDerWaalsContact O-N 3.16Å |
| 169 | L | 91.3 | Very high | 91.5 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | trans | -145.7 | 114.2 | 177.3 | -179.5 | 65.7 | 0 | 0 | 0 | 108.8 | W148 V166 R171 Q172 | W148-L169 HydrophobicContact CG-CD1 4.27Å; V166-L169 HydrophobicContact CG1-CB 3.66Å; L169-R171 VanDerWaalsContact C-N 3.33Å; L169-R171 WeakPolarHBondContact CD2-O 3.3Å; L169-R171 WeakPolarHBondContact CG-O 3.48Å; L169-Q172 HydrophobicContact CB-CG 4.49Å; L169-Q172 HydrophobicContact CD2-CG 4.26Å; L169-Q172 HydrophobicContact CG-CG 4.28Å; L169-Q172 WeakPolarHBondContact O-CG 3.44Å; L169-Q172 PolarHBondContact O-NE2 3.05Å | ||
| 170 | R | 88.1 | Confident | 92.5 | Very high | 138 Ų | 138 | 30.4 Ų | 30.4 | 52% | 0.521 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -66.8 | -37.7 | -179.9 | 179.7 | 176.1 | 169.4 | 167 | 3.6 | 111.9 | D146 E236 | D146-R170 WeakPolarHBondContact OD1-CB 3.19Å; D146-R170 PolarHBondContact OD1-N 2.78Å; R170-E236 IonicContact CZ-OE1 3.97Å; R170-E236 IonicContact NE-OE1 3.33Å; R170-E236 PolarHBondContact NE-OE1 2.81Å; R170-E236 IonicContact NH2-OE1 3.47Å |
| 171 | R | 86.9 | Confident | 93.1 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | trans | -113.8 | 101.5 | -169.6 | -55.1 | 175.1 | -175.4 | -148.1 | -3.4 | 109.8 | L169 E236 | L169-R171 VanDerWaalsContact C-N 3.33Å; L169-R171 WeakPolarHBondContact CD2-O 3.3Å; L169-R171 WeakPolarHBondContact CG-O 3.48Å; R171-E236 WeakPolarHBondContact CD-O 3.12Å; R171-E236 HydrophobicContact CG-CB 4.16Å; R171-E236 PolarHBondContact NH1-O 3.36Å | ||
| 172 | Q | 86.7 | Confident | 93.4 | Very high | 75 Ų | 75 | 29 Ų | 29 | 35% | 0.35 | 14% | 0.137 | S | C | . | . | trans | -104.6 | -12 | -171.6 | -57.5 | -167 | 44.8 | 0 | 0 | 113.6 | L169 M213 | L169-Q172 HydrophobicContact CB-CG 4.49Å; L169-Q172 HydrophobicContact CD2-CG 4.26Å; L169-Q172 HydrophobicContact CG-CG 4.28Å; L169-Q172 WeakPolarHBondContact O-CG 3.44Å; L169-Q172 PolarHBondContact O-NE2 3.05Å; Q172-M213 HydrophobicContact CB-CB 4.18Å; Q172-M213 HydrophobicContact CB-CE 4.04Å; Q172-M213 HydrophobicContact CB-CG 4.02Å; Q172-M213 HydrophobicContact CG-CE 4.23Å | ||
| 173 | F | 90.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 13% | 0.127 | 14% | 0.144 | C | C | . | . | trans | -151.3 | 162.6 | 175.9 | 72.9 | -83.8 | 0 | 0 | 0 | 110.6 | M213 Y214 | F173-M213 HydrophobicContact CB-CB 4.37Å; F173-M213 HydrophobicContact CD1-CB 3.77Å; F173-M213 WeakPolarHBondContact CD1-O 3.4Å; F173-M213 WeakPolarHBondContact CE1-O 3.47Å; F173-M213 HydrophobicContact CG-CB 4.41Å; F173-Y214 HydrophobicContact CD2-CD2 4.34Å; F173-Y214 AromaticContact CE2-CD2 3.64Å; F173-Y214 HydrophobicContact CE2-CD2 3.64Å; F173-Y214 HydrophobicContact CE2-CE2 4.48Å; F173-Y214 HydrophobicContact CZ-CD2 4.03Å | ||
| 174 | E | 90.6 | Very high | 93.6 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 28% | 0.276 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -112 | -44.3 | 172.5 | -67.5 | 171.6 | 140.2 | 0 | 0 | 111.2 | D178 T231 K244 | E174-D178 PolarHBondContact N-OD2 3.18Å; E174-T231 WeakPolarHBondContact O-CB 3.41Å; E174-T231 PolarHBondContact O-OG1 2.9Å; E174-K244 HydrophobicContact CB-CD 4.4Å; E174-K244 WeakPolarHBondContact OE2-CD 3.24Å; E174-K244 WeakPolarHBondContact OE2-CE 3.15Å; E174-K244 IonicContact OE2-NZ 3.17Å; E174-K244 PolarHBondContact OE2-NZ 3.15Å |
| 175 | F | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -126.9 | 161.7 | 173.7 | -56.5 | -79.2 | 0 | 0 | 0 | 110.4 | V177 D178 S179 I229 A230 I237 K244 L248 L264 M268 | F175-V177 HydrophobicContact CB-CG2 4.1Å; F175-V177 PolarHBondContact O-N 2.81Å; F175-D178 VanDerWaalsContact C-OD1 3.3Å; F175-D178 VanDerWaalsContact CA-OD1 3.29Å; F175-D178 WeakPolarHBondContact CA-OD1 3.42Å; F175-D178 WeakPolarHBondContact CB-OD1 3.38Å; F175-D178 PolarHBondContact N-OD1 3.29Å; F175-D178 PolarHBondContact O-N 2.79Å; F175-S179 PolarHBondContact O-N 3.34Å; F175-I229 HydrophobicContact CD1-CG2 3.47Å; F175-I229 VanDerWaalsContact CD1-CG2 3.47Å; F175-I229 HydrophobicContact CE1-CG2 3.67Å; F175-I229 HydrophobicContact CG-CG2 4.19Å; F175-A230 WeakPolarHBondContact CA-O 3.48Å; F175-I237 HydrophobicContact CE1-CD1 4.37Å; F175-I237 HydrophobicContact CZ-CD1 4.48Å; F175-K244 HydrophobicContact CD2-CD 4.03Å; F175-K244 HydrophobicContact CD2-CG 4.25Å; F175-K244 HydrophobicContact CE2-CB 4.25Å; F175-K244 HydrophobicContact CE2-CD 4.07Å; F175-K244 HydrophobicContact CE2-CG 4.03Å; F175-L248 HydrophobicContact CB-CD1 4.45Å; F175-L248 HydrophobicContact CD2-CD1 3.69Å; F175-L248 HydrophobicContact CE2-CD1 4.08Å; F175-L248 HydrophobicContact CG-CD1 4.01Å; F175-L264 HydrophobicContact CE1-CD2 4.41Å; F175-M268 HydrophobicContact CE1-CE 4.3Å; F175-M268 HydrophobicContact CZ-CE 4.25Å; F175-M268 HydrophobicContact CZ-SD 4.06Å |
| 176 | S | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -56.9 | -38.2 | 177.9 | 45.4 | 0 | 0 | 0 | 0 | 113 | D178 S179 H223 A230 | S176-D178 PolarHBondContact O-N 2.94Å; S176-S179 WeakPolarHBondContact O-CB 3.43Å; S176-S179 PolarHBondContact O-N 3.49Å; S176-S179 PolarHBondContact O-OG 2.61Å; S176-H223 WeakPolarHBondContact CB-ND1 3.44Å; S176-H223 PolarHBondContact OG-ND1 2.84Å; S176-A230 PolarHBondContact N-O 2.89Å; S176-A230 PolarHBondContact OG-O 2.91Å |
| 177 | V | 93.3 | Very high | 93 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -66.1 | -17 | -176.3 | -60.8 | 0 | 0 | 0 | 0 | 114.6 | S73 L82 F175 H223 L224 L228 L248 F253 | S73-V177 PolarHBondContact OG-O 3.36Å; L82-V177 HydrophobicContact CD1-CB 4.37Å; L82-V177 HydrophobicContact CD1-CG2 4.47Å; F175-V177 HydrophobicContact CB-CG2 4.1Å; F175-V177 PolarHBondContact O-N 2.81Å; V177-H223 HydrophobicContact CG1-CB 4.34Å; V177-L224 HydrophobicContact CB-CD1 4.08Å; V177-L224 HydrophobicContact CG1-CD1 4.4Å; V177-L228 WeakPolarHBondContact CG1-O 3.4Å; V177-L248 HydrophobicContact CG2-CD1 4.24Å; V177-L248 HydrophobicContact CG2-CD2 4.11Å; V177-F253 HydrophobicContact CB-CE1 4.28Å; V177-F253 HydrophobicContact CG1-CD1 4.21Å; V177-F253 HydrophobicContact CG1-CE1 3.85Å; V177-F253 HydrophobicContact CG2-CE1 4.46Å |
| 178 | D | 89.8 | Confident | 92.8 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 10% | 0.096 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -117.4 | 14.3 | 177.9 | 67.6 | -77.4 | 0 | 0 | 0 | 113.3 | E174 F175 S176 K244 | E174-D178 PolarHBondContact N-OD2 3.18Å; F175-D178 VanDerWaalsContact C-OD1 3.3Å; F175-D178 VanDerWaalsContact CA-OD1 3.29Å; F175-D178 WeakPolarHBondContact CA-OD1 3.42Å; F175-D178 WeakPolarHBondContact CB-OD1 3.38Å; F175-D178 PolarHBondContact N-OD1 3.29Å; F175-D178 PolarHBondContact O-N 2.79Å; S176-D178 PolarHBondContact O-N 2.94Å; D178-K244 IonicContact OD1-NZ 3.78Å; D178-K244 PolarHBondContact OD1-NZ 3.32Å; D178-K244 IonicContact OD2-NZ 2.66Å; D178-K244 PolarHBondContact OD2-NZ 3.48Å |
| 179 | S | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -88.5 | 1.2 | -174 | 73 | 0 | 0 | 0 | 0 | 114.8 | F175 S176 M213 Y214 | F175-S179 PolarHBondContact O-N 3.34Å; S176-S179 WeakPolarHBondContact O-CB 3.43Å; S176-S179 PolarHBondContact O-N 3.49Å; S176-S179 PolarHBondContact O-OG 2.61Å; S179-M213 WeakPolarHBondContact O-CB 3.26Å; S179-M213 WeakPolarHBondContact O-CG 3.39Å; S179-M213 PolarHBondContact O-N 2.81Å; S179-Y214 VanDerWaalsContact OG-CB 3.26Å; S179-Y214 WeakPolarHBondContact OG-CB 3.38Å | ||
| 180 | F | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.2 | -173.8 | -58.5 | -76.4 | 0 | 0 | 0 | 112.2 | N68 A72 L76 C212 F217 A220 L224 | N68-F180 PolarHBondContact OD1-O 3.47Å; A72-F180 HydrophobicContact CB-CB 4.3Å; A72-F180 VanDerWaalsContact CB-O 3.3Å; A72-F180 WeakPolarHBondContact CB-O 3.3Å; L76-F180 HydrophobicContact CD1-CB 3.66Å; L76-F180 HydrophobicContact CD1-CD1 3.37Å; L76-F180 HydrophobicContact CD1-CD2 3.96Å; L76-F180 HydrophobicContact CD1-CE1 3.91Å; L76-F180 HydrophobicContact CD1-CE2 4.44Å; L76-F180 HydrophobicContact CD1-CG 3.38Å; L76-F180 HydrophobicContact CD1-CZ 4.4Å; F180-C212 HydrophobicContact CD1-CB 4.43Å; F180-C212 HydrophobicContact CE1-CB 4.5Å; F180-F217 HydrophobicContact CD1-CD2 4.27Å; F180-F217 AromaticContact CD1-CE2 3.72Å; F180-F217 HydrophobicContact CD1-CE2 3.72Å; F180-F217 HydrophobicContact CD1-CZ 4.09Å; F180-F217 HydrophobicContact CE1-CD2 4.22Å; F180-F217 HydrophobicContact CE1-CE1 4.41Å; F180-F217 AromaticContact CE1-CE2 3.91Å; F180-F217 HydrophobicContact CE1-CE2 3.91Å; F180-F217 HydrophobicContact CE1-CZ 4.01Å; F180-A220 HydrophobicContact CE1-CB 3.96Å; F180-A220 HydrophobicContact CE2-CB 4.44Å; F180-A220 HydrophobicContact CZ-CB 3.62Å; F180-L224 HydrophobicContact CD2-CD2 4.34Å; F180-L224 HydrophobicContact CE2-CB 4.29Å; F180-L224 HydrophobicContact CE2-CD2 3.78Å |
| 181 | Q | 96.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.1 | 171.5 | -63.1 | -179.6 | 8.6 | 0 | 0 | 109.7 | R66 L67 N68 A210 E211 M213 | R66-Q181 HydrophobicContact CB-CB 4.42Å; L67-Q181 CarbonylContact O-C 3.5Å; L67-Q181 VanDerWaalsContact O-CA 3.3Å; L67-Q181 WeakPolarHBondContact O-CA 3.36Å; N68-Q181 HydrophobicContact CB-CG 4.4Å; Q181-A210 CarbonylContact O-C 3.53Å; Q181-A210 VanDerWaalsContact O-CA 3.32Å; Q181-A210 WeakPolarHBondContact O-CA 3.47Å; Q181-E211 PolarHBondContact N-O 3.08Å; Q181-E211 PolarHBondContact O-N 3.5Å; Q181-M213 HydrophobicContact CG-CG 4.14Å |
| 182 | I | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.5 | 179.5 | -54.8 | 171.7 | 0 | 0 | 0 | 108.9 | L13 L21 R66 L67 A72 V75 L184 V208 A210 | L13-I182 HydrophobicContact CD1-CG2 4.21Å; L13-I182 HydrophobicContact CD2-CD1 4.35Å; L13-I182 HydrophobicContact CD2-CG2 3.98Å; L21-I182 HydrophobicContact CD2-CG2 3.75Å; R66-I182 CarbonylContact C-O 3.59Å; R66-I182 WeakPolarHBondContact CA-O 3.39Å; L67-I182 HydrophobicContact CB-CB 4.36Å; L67-I182 HydrophobicContact CD2-CD1 4.34Å; L67-I182 PolarHBondContact N-O 3.4Å; L67-I182 PolarHBondContact O-N 3.12Å; A72-I182 HydrophobicContact CB-CD1 4.16Å; A72-I182 HydrophobicContact CB-CG1 4.2Å; V75-I182 HydrophobicContact CB-CD1 3.75Å; V75-I182 HydrophobicContact CG1-CD1 3.57Å; V75-I182 HydrophobicContact CG2-CD1 4.42Å; I182-L184 HydrophobicContact CG2-CD2 4.3Å; I182-L184 PolarHBondContact O-N 3.34Å; I182-V208 HydrophobicContact CG2-CG1 3.66Å; I182-A210 HydrophobicContact CG1-CB 4.11Å |
| 183 | I | 97.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 29.9 Ų | 29.9 | 17% | 0.169 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.2 | -179.2 | -56.8 | 171.4 | 0 | 0 | 0 | 108.7 | F10 V208 E209 | F10-I183 HydrophobicContact CE1-CD1 4.37Å; I183-V208 WeakPolarHBondContact O-CG1 3.35Å; I183-E209 HydrophobicContact CD1-CB 4.35Å; I183-E209 PolarHBondContact N-O 2.98Å |
| 184 | L | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -96.7 | -13.7 | -169.7 | -56.9 | -174.7 | 0 | 0 | 0 | 113.9 | L21 L25 I48 I65 L67 I89 I182 R186 M187 L188 | L21-L184 HydrophobicContact CD1-CD2 3.95Å; L21-L184 HydrophobicContact CD2-CD2 4.06Å; L21-L184 HydrophobicContact CG-CD2 4.44Å; L25-L184 HydrophobicContact CD1-CD2 4.34Å; L25-L184 HydrophobicContact CD2-CD1 4.11Å; I48-L184 HydrophobicContact CD1-CD1 4.2Å; I65-L184 HydrophobicContact CG2-CB 4.48Å; I65-L184 HydrophobicContact CG2-CD1 4.18Å; I65-L184 WeakPolarHBondContact O-CB 3.41Å; I65-L184 PolarHBondContact O-N 3.1Å; L67-L184 HydrophobicContact CB-CD1 4.11Å; L67-L184 HydrophobicContact CB-CD2 3.93Å; L67-L184 HydrophobicContact CB-CG 4.28Å; I89-L184 HydrophobicContact CD1-CD1 4.17Å; I182-L184 HydrophobicContact CG2-CD2 4.3Å; I182-L184 PolarHBondContact O-N 3.34Å; L184-R186 PolarHBondContact O-N 3.28Å; L184-M187 PolarHBondContact O-N 3.4Å; L184-L188 HydrophobicContact CB-CD1 3.67Å; L184-L188 HydrophobicContact CB-CG 4.02Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.02Å | ||
| 185 | D | 94.3 | Very high | 90 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.1 | -50.6 | -167.1 | -65.9 | -15.3 | 0 | 0 | 0 | 113.2 | D64 I65 M187 L188 E189 | D64-D185 WeakPolarHBondContact CA-OD2 3.41Å; I65-D185 PolarHBondContact N-OD1 2.79Å; D185-M187 VanDerWaalsContact C-N 3.31Å; D185-M187 PolarHBondContact O-N 2.83Å; D185-L188 PolarHBondContact O-N 2.88Å; D185-E189 WeakPolarHBondContact O-CB 3.22Å; D185-E189 VanDerWaalsContact O-CG 3.26Å; D185-E189 WeakPolarHBondContact O-CG 3.46Å; D185-E189 PolarHBondContact O-N 3.48Å |
| 186 | R | 92.4 | Very high | 88.4 | Confident | 166 Ų | 166 | 43.8 Ų | 43.8 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.5 | -39.6 | 179.3 | -63.5 | -58.1 | -169.4 | 166.3 | 2.3 | 113.2 | L184 E189 S190 I206 | L184-R186 PolarHBondContact O-N 3.28Å; R186-E189 IonicContact NH1-OE2 2.71Å; R186-S190 PolarHBondContact O-N 2.91Å; R186-I206 HydrophobicContact CB-CG2 3.88Å |
| 187 | M | 92.3 | Very high | 86.7 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.8 | -41 | 179.3 | -170.1 | 169 | -158.4 | 0 | 0 | 111.2 | V18 L21 D22 L25 L184 D185 S190 Y191 V208 | V18-M187 HydrophobicContact CG1-CE 4.32Å; L21-M187 HydrophobicContact CB-CE 4.36Å; L21-M187 HydrophobicContact CB-SD 4.2Å; L21-M187 HydrophobicContact CD2-SD 3.43Å; L21-M187 WeakPolarHBondContact CD2-SD 3.06Å; L21-M187 HydrophobicContact CG-CE 4.28Å; L21-M187 HydrophobicContact CG-SD 3.55Å; L21-M187 VanDerWaalsContact CG-SD 3.55Å; D22-M187 HydrophobicContact CB-CE 3.4Å; L25-M187 HydrophobicContact CD1-CE 4.47Å; L25-M187 HydrophobicContact CD1-CG 4.19Å; L25-M187 HydrophobicContact CD1-SD 3.61Å; L184-M187 PolarHBondContact O-N 3.4Å; D185-M187 VanDerWaalsContact C-N 3.31Å; D185-M187 PolarHBondContact O-N 2.83Å; M187-S190 PolarHBondContact O-N 3.07Å; M187-S190 PolarHBondContact O-OG 3.18Å; M187-Y191 WeakPolarHBondContact CE-OH 2.98Å; M187-Y191 HydrophobicContact CG-CE2 4.04Å; M187-Y191 WeakPolarHBondContact O-CD2 3.45Å; M187-Y191 PolarHBondContact O-N 2.72Å; M187-V208 HydrophobicContact CB-CG2 4.32Å |
| 188 | L | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 177 | -67.2 | 169.4 | 0 | 0 | 0 | 112 | K45 I48 I65 L184 D185 S190 Y191 W192 | K45-L188 HydrophobicContact CB-CD2 4.35Å; I48-L188 HydrophobicContact CD1-CD2 4.4Å; I48-L188 HydrophobicContact CG2-CD1 3.62Å; I48-L188 HydrophobicContact CG2-CD2 4.16Å; I65-L188 HydrophobicContact CB-CD1 4.15Å; I65-L188 HydrophobicContact CD1-CD1 4Å; I65-L188 HydrophobicContact CG2-CD1 4.16Å; L184-L188 HydrophobicContact CB-CD1 3.67Å; L184-L188 HydrophobicContact CB-CG 4.02Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.02Å; D185-L188 PolarHBondContact O-N 2.88Å; L188-S190 VanDerWaalsContact C-N 3.31Å; L188-S190 PolarHBondContact O-N 3.29Å; L188-Y191 HydrophobicContact CD2-CD2 4.29Å; L188-Y191 WeakPolarHBondContact O-CB 3.33Å; L188-Y191 PolarHBondContact O-N 3.18Å; L188-W192 HydrophobicContact CB-CH2 3.79Å; L188-W192 HydrophobicContact CB-CZ2 3.73Å; L188-W192 HydrophobicContact CB-CZ3 4.33Å; L188-W192 HydrophobicContact CG-CZ2 4.49Å; L188-W192 VanDerWaalsContact O-CD2 3.22Å; L188-W192 VanDerWaalsContact O-CG 3.27Å; L188-W192 PolarHBondContact O-N 2.85Å |
| 189 | E | 90.7 | Very high | 82.5 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.3 | -46.5 | 173.3 | -76 | 167.3 | -178.7 | 0 | 0 | 111.1 | D185 R186 Y191 W192 E193 | D185-E189 WeakPolarHBondContact O-CB 3.22Å; D185-E189 VanDerWaalsContact O-CG 3.26Å; D185-E189 WeakPolarHBondContact O-CG 3.46Å; D185-E189 PolarHBondContact O-N 3.48Å; R186-E189 IonicContact NH1-OE2 2.71Å; E189-Y191 VanDerWaalsContact C-N 3.29Å; E189-Y191 PolarHBondContact O-N 3.49Å; E189-W192 HydrophobicContact CG-CE3 4.49Å; E189-W192 HydrophobicContact CG-CZ3 4.37Å; E189-W192 PolarHBondContact O-N 2.87Å; E189-E193 WeakPolarHBondContact O-CG 3.26Å; E189-E193 PolarHBondContact O-N 3.3Å |
| 190 | S | 89.1 | Confident | 80.3 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 178.2 | 81.7 | 0 | 0 | 0 | 0 | 113.4 | R186 M187 L188 W192 S194 I206 | R186-S190 PolarHBondContact O-N 2.91Å; M187-S190 PolarHBondContact O-N 3.07Å; M187-S190 PolarHBondContact O-OG 3.18Å; L188-S190 VanDerWaalsContact C-N 3.31Å; L188-S190 PolarHBondContact O-N 3.29Å; S190-W192 VanDerWaalsContact C-N 3.34Å; S190-S194 WeakPolarHBondContact O-CB 3.39Å; S190-S194 PolarHBondContact O-N 3.38Å; S190-S194 PolarHBondContact O-OG 3.37Å; S190-I206 WeakPolarHBondContact OG-CD1 3.15Å |
| 191 | Y | 87.9 | Confident | 77.9 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 9% | 0.086 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 175.5 | -64.9 | -41 | 0 | 0 | 0 | 112.3 | D22 L25 T26 K45 M187 L188 E189 S194 D195 | D22-Y191 VanDerWaalsContact OD1-CE1 3.31Å; D22-Y191 WeakPolarHBondContact OD1-CE1 3.48Å; D22-Y191 VanDerWaalsContact OD1-CZ 3.31Å; D22-Y191 PolarHBondContact OD1-OH 3.21Å; L25-Y191 HydrophobicContact CB-CE2 4.25Å; L25-Y191 HydrophobicContact CD1-CE2 4.05Å; T26-Y191 HydrophobicContact CG2-CE1 4.39Å; K45-Y191 HydrophobicContact CB-CD2 3.92Å; K45-Y191 HydrophobicContact CB-CE2 4.04Å; K45-Y191 HydrophobicContact CD-CD1 4.45Å; K45-Y191 HydrophobicContact CD-CD2 3.89Å; K45-Y191 HydrophobicContact CD-CE2 4.02Å; K45-Y191 HydrophobicContact CD-CG 4.11Å; M187-Y191 WeakPolarHBondContact CE-OH 2.98Å; M187-Y191 HydrophobicContact CG-CE2 4.04Å; M187-Y191 WeakPolarHBondContact O-CD2 3.45Å; M187-Y191 PolarHBondContact O-N 2.72Å; L188-Y191 HydrophobicContact CD2-CD2 4.29Å; L188-Y191 WeakPolarHBondContact O-CB 3.33Å; L188-Y191 PolarHBondContact O-N 3.18Å; E189-Y191 VanDerWaalsContact C-N 3.29Å; E189-Y191 PolarHBondContact O-N 3.49Å; Y191-S194 WeakPolarHBondContact CA-OG 3.45Å; Y191-S194 PolarHBondContact O-OG 3.08Å; Y191-S194 VanDerWaalsContact O-OG 3.12Å; Y191-D195 PolarHBondContact O-N 3.23Å |
| 192 | W | 85.3 | Confident | 75.7 | Confident | 43 Ų | 43 | 82 Ų | 82 | 16% | 0.163 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -79.9 | -28.6 | -177.9 | -55.2 | -22.3 | 0 | 0 | 0 | 112.4 | R49 K52 L188 E189 S190 R196 | R49-W192 HydrophobicContact CB-CZ2 4.12Å; R49-W192 VanDerWaalsContact CD-CD1 3.44Å; R49-W192 HydrophobicContact CG-CZ2 4.28Å; K52-W192 HydrophobicContact CD-CH2 3.46Å; K52-W192 VanDerWaalsContact CD-CH2 3.46Å; K52-W192 HydrophobicContact CD-CZ2 4.3Å; K52-W192 HydrophobicContact CD-CZ3 4.1Å; L188-W192 HydrophobicContact CB-CH2 3.79Å; L188-W192 HydrophobicContact CB-CZ2 3.73Å; L188-W192 HydrophobicContact CB-CZ3 4.33Å; L188-W192 HydrophobicContact CG-CZ2 4.49Å; L188-W192 VanDerWaalsContact O-CD2 3.22Å; L188-W192 VanDerWaalsContact O-CG 3.27Å; L188-W192 PolarHBondContact O-N 2.85Å; E189-W192 HydrophobicContact CG-CE3 4.49Å; E189-W192 HydrophobicContact CG-CZ3 4.37Å; E189-W192 PolarHBondContact O-N 2.87Å; S190-W192 VanDerWaalsContact C-N 3.34Å; W192-R196 WeakPolarHBondContact O-CG 3.44Å |
| 193 | E | 81.8 | Confident | 73.7 | Confident | 125 Ų | 125 | 89.5 Ų | 89.5 | 58% | 0.584 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -74.5 | -42.3 | 173 | -70.6 | 179.7 | 173.4 | 0 | 0 | 112.1 | E189 R196 T197 | E189-E193 WeakPolarHBondContact O-CG 3.26Å; E189-E193 PolarHBondContact O-N 3.3Å; E193-R196 WeakPolarHBondContact O-CA 3.44Å; E193-R196 WeakPolarHBondContact O-CB 3.44Å; E193-R196 PolarHBondContact O-N 3.45Å; E193-T197 PolarHBondContact O-N 3.22Å; E193-T197 VanDerWaalsContact O-N 3.12Å; E193-T197 PolarHBondContact O-OG1 3.43Å |
| 194 | S | 69.9 | Low | 71.8 | Confident | 68 Ų | 68 | 92.1 Ų | 92.1 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 175.9 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | S190 Y191 R196 T197 | S190-S194 WeakPolarHBondContact O-CB 3.39Å; S190-S194 PolarHBondContact O-N 3.38Å; S190-S194 PolarHBondContact O-OG 3.37Å; Y191-S194 WeakPolarHBondContact CA-OG 3.45Å; Y191-S194 PolarHBondContact O-OG 3.08Å; Y191-S194 VanDerWaalsContact O-OG 3.12Å; S194-R196 PolarHBondContact O-N 2.91Å; S194-R196 VanDerWaalsContact O-N 3.15Å; S194-T197 CarbonylContact O-C 3.43Å; S194-T197 PolarHBondContact O-N 2.69Å; S194-T197 VanDerWaalsContact O-O 3.13Å |
| 195 | D | 63.5 | Low | 70.3 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.3 | 170 | -92 | 3.3 | 0 | 0 | 0 | 112.6 | R49 Y191 | R49-D195 IonicContact CZ-OD2 2.97Å; R49-D195 IonicContact NH1-OD2 3.25Å; R49-D195 PolarHBondContact NH1-OD2 2.76Å; Y191-D195 PolarHBondContact O-N 3.23Å |
| 196 | R | 60.8 | Low | 69.6 | Low | 212 Ų | 212 | 99.6 Ų | 99.6 | 80% | 0.8 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -19.5 | 179.4 | -67.6 | 173.5 | 177.6 | -176.4 | 1.1 | 113.6 | W192 E193 S194 | W192-R196 WeakPolarHBondContact O-CG 3.44Å; E193-R196 WeakPolarHBondContact O-CA 3.44Å; E193-R196 WeakPolarHBondContact O-CB 3.44Å; E193-R196 PolarHBondContact O-N 3.45Å; S194-R196 PolarHBondContact O-N 2.91Å; S194-R196 VanDerWaalsContact O-N 3.15Å |
| 197 | T | 58.5 | Low | 69.4 | Low | 80 Ų | 80 | 95 Ų | 95 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | trans | -128.6 | 105.5 | -175 | 40.4 | 0 | 0 | 0 | 0 | 111.4 | E193 S194 T199 | E193-T197 PolarHBondContact O-N 3.22Å; E193-T197 VanDerWaalsContact O-N 3.12Å; E193-T197 PolarHBondContact O-OG1 3.43Å; S194-T197 CarbonylContact O-C 3.43Å; S194-T197 PolarHBondContact O-N 2.69Å; S194-T197 VanDerWaalsContact O-O 3.13Å; T197-T199 PolarHBondContact O-N 3.07Å | ||
| 198 | Y | 49.5 | Very low | 69.5 | Low | 235 Ų | 235 | 94.9 Ų | 94.9 | 92% | 0.922 | 50% | 0.503 | S | S | * | . | trans | -76.1 | 62 | 172.3 | -73.8 | -89.9 | 0 | 0 | 0 | 111.2 | ||||
| 199 | T | 46.4 | Very low | 69.6 | Low | 120 Ų | 120 | 99.2 Ų | 99.2 | 74% | 0.736 | 52% | 0.523 | S | S | * | . | trans | -132.1 | 131.1 | 177.7 | 41.5 | 0 | 0 | 0 | 0 | 112 | T197 | T197-T199 PolarHBondContact O-N 3.07Š| ||
| 200 | S | 47.3 | Very low | 69.9 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 71% | 0.713 | 51% | 0.508 | S | S | * | . | trans | -86.7 | 162.4 | -170.9 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 201 | E | 46 | Very low | 70.2 | Confident | 189 Ų | 189 | 95.5 Ų | 95.5 | 88% | 0.883 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 93.7 | 21 | 147.3 | -75.1 | 175.3 | -161.8 | 0 | 0 | 121.6 | ||
| 202 | S | 50.1 | Low | 70.5 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | trans | -148.4 | 118.5 | 151.4 | 60 | 0 | 0 | 0 | 0 | 110.7 | P204 | S202-P204 WeakPolarHBondContact O-CD 3.48Å; S202-P204 VanDerWaalsContact O-N 3.13Å | ||
| 203 | E | 55.3 | Low | 70.9 | Confident | 157 Ų | 157 | 94.2 Ų | 94.2 | 73% | 0.734 | 50% | 0.501 | S | S | * | . | trans | -60.1 | 115 | 166.3 | -71.6 | -174.3 | 170.2 | 0 | 0 | 107.2 | V205 | E203-V205 PolarHBondContact O-N 2.97Š| ||
| 204 | P | 56.6 | Low | 71.4 | Confident | 87 Ų | 87 | 89.1 Ų | 89.1 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | trans | -59.3 | 134.3 | 175.9 | 22.9 | -29.6 | 0 | 0 | 0 | 107.9 | S202 I206 | S202-P204 WeakPolarHBondContact O-CD 3.48Å; S202-P204 VanDerWaalsContact O-N 3.13Å; P204-I206 HydrophobicContact CB-CG1 4.22Å; P204-I206 HydrophobicContact CG-CD1 4.23Å; P204-I206 HydrophobicContact CG-CG1 4.03Å; P204-I206 PolarHBondContact O-N 2.98Å | ||
| 205 | V | 66.1 | Low | 72.4 | Confident | 149 Ų | 149 | 87.5 Ų | 87.5 | 90% | 0.903 | 47% | 0.47 | S | S | * | . | trans | -70.9 | 86.5 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | E203 A207 | E203-V205 PolarHBondContact O-N 2.97Å; V205-A207 PolarHBondContact O-N 3.46Å | ||
| 206 | I | 80.3 | Confident | 73.8 | Confident | 39 Ų | 39 | 84.9 Ų | 84.9 | 20% | 0.2 | 46% | 0.456 | C | S | . | . | trans | -77.6 | 110.3 | 178.5 | -56.5 | 166.3 | 0 | 0 | 0 | 107.2 | R186 S190 P204 V208 | R186-I206 HydrophobicContact CB-CG2 3.88Å; S190-I206 WeakPolarHBondContact OG-CD1 3.15Å; P204-I206 HydrophobicContact CB-CG1 4.22Å; P204-I206 HydrophobicContact CG-CD1 4.23Å; P204-I206 HydrophobicContact CG-CG1 4.03Å; P204-I206 PolarHBondContact O-N 2.98Å; I206-V208 HydrophobicContact CB-CG2 4.43Å; I206-V208 HydrophobicContact CG2-CG2 3.65Å; I206-V208 PolarHBondContact O-N 3.47Å | ||
| 207 | A | 87.9 | Confident | 75.4 | Confident | 69 Ų | 69 | 75 Ų | 75 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | trans | -72 | 109.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V205 | V205-A207 PolarHBondContact O-N 3.46Š| ||
| 208 | V | 93.7 | Very high | 77.1 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.018 | 42% | 0.415 | C | S | . | . | trans | -108.5 | 131.3 | 174.4 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | L13 V18 L21 I182 I183 M187 I206 | L13-V208 HydrophobicContact CB-CB 4.41Å; L13-V208 HydrophobicContact CD1-CG1 4.34Å; L13-V208 HydrophobicContact CD2-CB 4.36Å; L13-V208 HydrophobicContact CD2-CG1 4.03Å; L13-V208 PolarHBondContact N-O 2.74Å; V18-V208 HydrophobicContact CG2-CB 4.29Å; V18-V208 HydrophobicContact CG2-CG2 4.23Å; L21-V208 HydrophobicContact CD2-CG1 3.88Å; I182-V208 HydrophobicContact CG2-CG1 3.66Å; I183-V208 WeakPolarHBondContact O-CG1 3.35Å; M187-V208 HydrophobicContact CB-CG2 4.32Å; I206-V208 HydrophobicContact CB-CG2 4.43Å; I206-V208 HydrophobicContact CG2-CG2 3.65Å; I206-V208 PolarHBondContact O-N 3.47Å | ||
| 209 | E | 94.9 | Very high | 79.3 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.2 | -178.5 | -71.5 | 177.1 | 121.6 | 0 | 0 | 111.1 | N12 I183 | N12-E209 VanDerWaalsContact OD1-CG 3.24Å; N12-E209 WeakPolarHBondContact OD1-CG 3.24Å; I183-E209 HydrophobicContact CD1-CB 4.35Å; I183-E209 PolarHBondContact N-O 2.98Å |
| 210 | A | 95.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F10 H11 L13 L76 Q181 I182 F217 | F10-A210 VanDerWaalsContact CA-O 3.32Å; F10-A210 WeakPolarHBondContact CA-O 3.36Å; H11-A210 PolarHBondContact N-O 3.29Å; H11-A210 PolarHBondContact O-N 3.01Å; L13-A210 HydrophobicContact CD1-CB 3.68Å; L76-A210 HydrophobicContact CD2-CB 4.41Å; Q181-A210 CarbonylContact O-C 3.53Å; Q181-A210 VanDerWaalsContact O-CA 3.32Å; Q181-A210 WeakPolarHBondContact O-CA 3.47Å; I182-A210 HydrophobicContact CG1-CB 4.11Å; A210-F217 HydrophobicContact CB-CE2 3.67Å; A210-F217 HydrophobicContact CB-CZ 4.16Å |
| 211 | E | 95.5 | Very high | 83.9 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.4 | 171.9 | -173.4 | 168.4 | -174.7 | 0 | 0 | 109.8 | R9 F10 R66 Q181 M213 | R9-E211 WeakPolarHBondContact CD-OE1 3.29Å; R9-E211 HydrophobicContact CG-CG 3.94Å; R9-E211 IonicContact CZ-OE1 3.39Å; R9-E211 IonicContact NE-OE1 3.4Å; R9-E211 IonicContact NH1-OE1 3.95Å; R9-E211 PolarHBondContact NH1-OE1 3.36Å; R9-E211 CarbonylContact O-C 3.59Å; R9-E211 WeakPolarHBondContact O-CA 3.46Å; F10-E211 HydrophobicContact CD1-CB 3.97Å; F10-E211 HydrophobicContact CD1-CG 4.23Å; F10-E211 HydrophobicContact CE1-CB 3.66Å; F10-E211 HydrophobicContact CE1-CG 3.71Å; F10-E211 HydrophobicContact CZ-CB 4.45Å; F10-E211 HydrophobicContact CZ-CG 4.01Å; R66-E211 IonicContact CZ-OE2 2.69Å; R66-E211 IonicContact NH1-OE2 3.98Å; R66-E211 PolarHBondContact NH1-OE2 3.43Å; R66-E211 IonicContact NH2-OE2 3.74Å; R66-E211 PolarHBondContact NH2-OE2 3.33Å; R66-E211 VanDerWaalsContact NH2-OE2 3.12Å; Q181-E211 PolarHBondContact N-O 3.08Å; Q181-E211 PolarHBondContact O-N 3.5Å; E211-M213 HydrophobicContact CG-SD 4.11Å |
| 212 | C | 95.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.6 | 173.7 | 177 | 0 | 0 | 0 | 0 | 110.4 | R9 F180 Y214 G215 D216 F217 A220 | R9-C212 PolarHBondContact O-N 3Å; F180-C212 HydrophobicContact CD1-CB 4.43Å; F180-C212 HydrophobicContact CE1-CB 4.5Å; C212-Y214 VanDerWaalsContact C-N 3.25Å; C212-Y214 PolarHBondContact O-N 3.05Å; C212-G215 PolarHBondContact O-N 3.46Å; C212-D216 PolarHBondContact SG-O 3.25Å; C212-F217 HydrophobicContact CB-CB 3.93Å; C212-F217 HydrophobicContact CB-CD2 3.6Å; C212-F217 HydrophobicContact CB-CE2 4.48Å; C212-F217 HydrophobicContact CB-CG 4.13Å; C212-A220 VanDerWaalsContact SG-CB 3.55Å |
| 213 | M | 93.8 | Very high | 88.4 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.5 | 179.2 | -57.1 | -50.1 | -48.5 | 0 | 0 | 113.3 | Q172 F173 S179 Q181 E211 G215 | Q172-M213 HydrophobicContact CB-CB 4.18Å; Q172-M213 HydrophobicContact CB-CE 4.04Å; Q172-M213 HydrophobicContact CB-CG 4.02Å; Q172-M213 HydrophobicContact CG-CE 4.23Å; F173-M213 HydrophobicContact CB-CB 4.37Å; F173-M213 HydrophobicContact CD1-CB 3.77Å; F173-M213 WeakPolarHBondContact CD1-O 3.4Å; F173-M213 WeakPolarHBondContact CE1-O 3.47Å; F173-M213 HydrophobicContact CG-CB 4.41Å; S179-M213 WeakPolarHBondContact O-CB 3.26Å; S179-M213 WeakPolarHBondContact O-CG 3.39Å; S179-M213 PolarHBondContact O-N 2.81Å; Q181-M213 HydrophobicContact CG-CG 4.14Å; E211-M213 HydrophobicContact CG-SD 4.11Å; M213-G215 PolarHBondContact O-N 3.19Å |
| 214 | Y | 91.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.1 | 172.4 | -178.5 | -104.6 | 0 | 0 | 0 | 112.5 | F173 S179 C212 Q219 A220 H232 | F173-Y214 HydrophobicContact CD2-CD2 4.34Å; F173-Y214 AromaticContact CE2-CD2 3.64Å; F173-Y214 HydrophobicContact CE2-CD2 3.64Å; F173-Y214 HydrophobicContact CE2-CE2 4.48Å; F173-Y214 HydrophobicContact CZ-CD2 4.03Å; S179-Y214 VanDerWaalsContact OG-CB 3.26Å; S179-Y214 WeakPolarHBondContact OG-CB 3.38Å; C212-Y214 VanDerWaalsContact C-N 3.25Å; C212-Y214 PolarHBondContact O-N 3.05Å; Y214-Q219 HydrophobicContact CE1-CG 4.4Å; Y214-A220 HydrophobicContact CD1-CB 4.12Å; Y214-H232 AromaticContact CE1-CD2 3.81Å; Y214-H232 AromaticContact CE1-NE2 3.96Å; Y214-H232 HydrophobicContact CE2-CB 4.38Å; Y214-H232 AromaticContact CE2-CD2 3.64Å; Y214-H232 AromaticContact CZ-CD2 3.23Å; Y214-H232 AromaticContact CZ-CG 3.99Å; Y214-H232 AromaticContact CZ-NE2 3.49Å; Y214-H232 PolarHBondContact OH-CD2 3.36Å; Y214-H232 PolarHBondContact OH-CE1 2.76Å; Y214-H232 PolarHBondContact OH-NE2 3.46Å |
| 215 | G | 90.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 42 Ų | 42 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 116.1 | -58.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R9 C212 M213 | R9-G215 VanDerWaalsContact CA-O 3.3Å; R9-G215 WeakPolarHBondContact CA-O 3.46Å; R9-G215 VanDerWaalsContact CB-O 3.27Å; R9-G215 WeakPolarHBondContact CB-O 3.4Å; C212-G215 PolarHBondContact O-N 3.46Å; M213-G215 PolarHBondContact O-N 3.19Å |
| 216 | D | 93.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | trans | -99.1 | 116.3 | 176.3 | -167 | -51.1 | 0 | 0 | 0 | 109.6 | K8 C212 E218 Q219 A220 | K8-D216 IonicContact NZ-OD2 3.34Å; C212-D216 PolarHBondContact SG-O 3.25Å; D216-E218 PolarHBondContact OD1-N 3.14Å; D216-Q219 HydrophobicContact CB-CB 3.91Å; D216-Q219 PolarHBondContact OD1-N 3.4Å; D216-Q219 VanDerWaalsContact OD1-N 3.13Å; D216-A220 PolarHBondContact O-N 2.98Å | ||
| 217 | F | 95 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -48.9 | -175.7 | -169.6 | -79.5 | 0 | 0 | 0 | 111.7 | K8 R9 H11 L76 F180 A210 C212 Q219 A220 M221 | K8-F217 VanDerWaalsContact O-CB 3.3Å; K8-F217 WeakPolarHBondContact O-CB 3.26Å; K8-F217 PolarHBondContact O-N 2.91Å; R9-F217 WeakPolarHBondContact O-CD2 3.15Å; H11-F217 HydrophobicContact CB-CD1 3.44Å; H11-F217 VanDerWaalsContact CB-CD1 3.44Å; H11-F217 HydrophobicContact CB-CD2 3.73Å; H11-F217 HydrophobicContact CB-CE1 3.39Å; H11-F217 HydrophobicContact CB-CE2 3.7Å; H11-F217 HydrophobicContact CB-CG 3.63Å; H11-F217 HydrophobicContact CB-CZ 3.54Å; H11-F217 AromaticContact CD2-CE1 3.93Å; H11-F217 AromaticContact CG-CD1 3.73Å; H11-F217 AromaticContact CG-CE1 3.51Å; H11-F217 AromaticContact ND1-CD1 3.89Å; H11-F217 AromaticContact ND1-CE1 3.98Å; L76-F217 HydrophobicContact CD1-CE2 4.4Å; L76-F217 HydrophobicContact CD1-CZ 3.93Å; L76-F217 HydrophobicContact CD2-CZ 4.21Å; F180-F217 HydrophobicContact CD1-CD2 4.27Å; F180-F217 AromaticContact CD1-CE2 3.72Å; F180-F217 HydrophobicContact CD1-CE2 3.72Å; F180-F217 HydrophobicContact CD1-CZ 4.09Å; F180-F217 HydrophobicContact CE1-CD2 4.22Å; F180-F217 HydrophobicContact CE1-CE1 4.41Å; F180-F217 AromaticContact CE1-CE2 3.91Å; F180-F217 HydrophobicContact CE1-CE2 3.91Å; F180-F217 HydrophobicContact CE1-CZ 4.01Å; A210-F217 HydrophobicContact CB-CE2 3.67Å; A210-F217 HydrophobicContact CB-CZ 4.16Å; C212-F217 HydrophobicContact CB-CB 3.93Å; C212-F217 HydrophobicContact CB-CD2 3.6Å; C212-F217 HydrophobicContact CB-CE2 4.48Å; C212-F217 HydrophobicContact CB-CG 4.13Å; F217-Q219 VanDerWaalsContact C-N 3.32Å; F217-Q219 PolarHBondContact O-N 3.41Å; F217-A220 PolarHBondContact O-N 3.18Å; F217-M221 HydrophobicContact CD1-CB 4.4Å; F217-M221 HydrophobicContact CE1-CB 4.35Å; F217-M221 HydrophobicContact CE1-CG 4.4Å; F217-M221 HydrophobicContact CE1-SD 4.12Å; F217-M221 VanDerWaalsContact O-CB 3.25Å; F217-M221 WeakPolarHBondContact O-CB 3.49Å; F217-M221 PolarHBondContact O-N 3.17Å |
| 218 | E | 94.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 40% | 0.397 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.8 | -39.5 | -176.9 | -66.8 | -57.3 | 140.8 | 0 | 0 | 111 | H11 D216 M221 D222 | H11-E218 IonicContact CE1-OE1 3.18Å; H11-E218 PolarHBondContact CE1-OE1 2.51Å; H11-E218 IonicContact ND1-OE1 3.75Å; H11-E218 PolarHBondContact ND1-OE1 3.05Å; D216-E218 PolarHBondContact OD1-N 3.14Å; E218-M221 WeakPolarHBondContact O-CB 3.28Å; E218-M221 PolarHBondContact O-N 3.22Å; E218-D222 PolarHBondContact O-N 3.33Å |
| 219 | Q | 94.8 | Very high | 94.7 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 175.5 | -170.6 | -177 | 26.5 | 0 | 0 | 112.2 | Y214 D216 F217 M221 D222 H223 | Y214-Q219 HydrophobicContact CE1-CG 4.4Å; D216-Q219 HydrophobicContact CB-CB 3.91Å; D216-Q219 PolarHBondContact OD1-N 3.4Å; D216-Q219 VanDerWaalsContact OD1-N 3.13Å; F217-Q219 VanDerWaalsContact C-N 3.32Å; F217-Q219 PolarHBondContact O-N 3.41Å; Q219-M221 PolarHBondContact O-N 3.47Å; Q219-D222 PolarHBondContact O-N 3.2Å; Q219-H223 PolarHBondContact O-CD2 3.32Å; Q219-H223 VanDerWaalsContact O-CG 3.31Å; Q219-H223 PolarHBondContact O-N 3.29Å |
| 220 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F180 C212 Y214 D216 F217 H223 L224 | F180-A220 HydrophobicContact CE1-CB 3.96Å; F180-A220 HydrophobicContact CE2-CB 4.44Å; F180-A220 HydrophobicContact CZ-CB 3.62Å; C212-A220 VanDerWaalsContact SG-CB 3.55Å; Y214-A220 HydrophobicContact CD1-CB 4.12Å; D216-A220 PolarHBondContact O-N 2.98Å; F217-A220 PolarHBondContact O-N 3.18Å; A220-H223 WeakPolarHBondContact O-CB 3.38Å; A220-H223 PolarHBondContact O-N 2.94Å; A220-L224 PolarHBondContact O-N 3.05Å |
| 221 | M | 95.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 178.1 | -167.8 | 69.9 | -96.7 | 0 | 0 | 111 | L76 V77 F217 E218 Q219 L224 R225 | L76-M221 HydrophobicContact CB-CE 4.37Å; L76-M221 HydrophobicContact CB-SD 4.24Å; V77-M221 HydrophobicContact CB-CE 4.1Å; V77-M221 HydrophobicContact CG2-CE 3.12Å; V77-M221 HydrophobicContact CG2-SD 4.47Å; F217-M221 HydrophobicContact CD1-CB 4.4Å; F217-M221 HydrophobicContact CE1-CB 4.35Å; F217-M221 HydrophobicContact CE1-CG 4.4Å; F217-M221 HydrophobicContact CE1-SD 4.12Å; F217-M221 VanDerWaalsContact O-CB 3.25Å; F217-M221 WeakPolarHBondContact O-CB 3.49Å; F217-M221 PolarHBondContact O-N 3.17Å; E218-M221 WeakPolarHBondContact O-CB 3.28Å; E218-M221 PolarHBondContact O-N 3.22Å; Q219-M221 PolarHBondContact O-N 3.47Å; M221-L224 HydrophobicContact CE-CB 4.03Å; M221-L224 HydrophobicContact CE-CD2 3.76Å; M221-L224 HydrophobicContact CE-CG 4.24Å; M221-L224 PolarHBondContact O-N 3.18Å; M221-R225 HydrophobicContact CE-CG 4.2Å; M221-R225 VanDerWaalsContact CG-CZ 3.41Å; M221-R225 WeakPolarHBondContact O-CG 3.33Å; M221-R225 PolarHBondContact O-N 3.4Å |
| 222 | D | 95.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 173.8 | -75.3 | -14.8 | 0 | 0 | 0 | 112 | E218 Q219 L224 R225 Q226 | E218-D222 PolarHBondContact O-N 3.33Å; Q219-D222 PolarHBondContact O-N 3.2Å; D222-L224 VanDerWaalsContact C-N 3.29Å; D222-L224 PolarHBondContact O-N 2.9Å; D222-R225 PolarHBondContact O-N 2.85Å; D222-R225 IonicContact OD1-NH1 3.85Å; D222-R225 PolarHBondContact OD1-NH1 2.93Å; D222-R225 VanDerWaalsContact OD1-NH1 3.17Å; D222-Q226 WeakPolarHBondContact O-CB 3.29Å; D222-Q226 WeakPolarHBondContact O-CG 3.29Å; D222-Q226 PolarHBondContact O-N 3.03Å |
| 223 | H | 95.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -41.9 | 172.2 | -64.4 | 166.1 | 0 | 0 | 0 | 111.7 | S176 V177 Q219 A220 R227 L228 A230 | S176-H223 WeakPolarHBondContact CB-ND1 3.44Å; S176-H223 PolarHBondContact OG-ND1 2.84Å; V177-H223 HydrophobicContact CG1-CB 4.34Å; Q219-H223 PolarHBondContact O-CD2 3.32Å; Q219-H223 VanDerWaalsContact O-CG 3.31Å; Q219-H223 PolarHBondContact O-N 3.29Å; A220-H223 WeakPolarHBondContact O-CB 3.38Å; A220-H223 PolarHBondContact O-N 2.94Å; H223-R227 CarbonylContact O-C 3.44Å; H223-R227 WeakPolarHBondContact O-CA 3.42Å; H223-R227 PolarHBondContact O-N 3.26Å; H223-L228 HydrophobicContact CB-CB 4.09Å; H223-L228 PolarHBondContact O-N 2.85Å; H223-A230 WeakPolarHBondContact CE1-CB 2.9Å |
| 224 | L | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 178.3 | -175.2 | 62.3 | 0 | 0 | 0 | 112.2 | V77 N80 L82 V177 F180 A220 M221 D222 R227 | V77-L224 HydrophobicContact CB-CD2 4.21Å; V77-L224 HydrophobicContact CB-CG 4.44Å; N80-L224 HydrophobicContact CB-CD1 3.83Å; N80-L224 HydrophobicContact CB-CG 4.21Å; L82-L224 HydrophobicContact CD1-CD1 3.95Å; V177-L224 HydrophobicContact CB-CD1 4.08Å; V177-L224 HydrophobicContact CG1-CD1 4.4Å; F180-L224 HydrophobicContact CD2-CD2 4.34Å; F180-L224 HydrophobicContact CE2-CB 4.29Å; F180-L224 HydrophobicContact CE2-CD2 3.78Å; A220-L224 PolarHBondContact O-N 3.05Å; M221-L224 HydrophobicContact CE-CB 4.03Å; M221-L224 HydrophobicContact CE-CD2 3.76Å; M221-L224 HydrophobicContact CE-CG 4.24Å; M221-L224 PolarHBondContact O-N 3.18Å; D222-L224 VanDerWaalsContact C-N 3.29Å; D222-L224 PolarHBondContact O-N 2.9Å; L224-R227 PolarHBondContact O-N 2.93Å |
| 225 | R | 94.6 | Very high | 93.2 | Very high | 133 Ų | 133 | 50.1 Ų | 50.1 | 50% | 0.502 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.5 | -71.4 | 169.8 | -177.1 | 145.5 | -0.7 | 112.4 | V77 M221 D222 R227 | V77-R225 HydrophobicContact CG2-CG 3.98Å; M221-R225 HydrophobicContact CE-CG 4.2Å; M221-R225 VanDerWaalsContact CG-CZ 3.41Å; M221-R225 WeakPolarHBondContact O-CG 3.33Å; M221-R225 PolarHBondContact O-N 3.4Å; D222-R225 PolarHBondContact O-N 2.85Å; D222-R225 IonicContact OD1-NH1 3.85Å; D222-R225 PolarHBondContact OD1-NH1 2.93Å; D222-R225 VanDerWaalsContact OD1-NH1 3.17Å; R225-R227 VanDerWaalsContact C-N 3.35Å |
| 226 | Q | 95 | Very high | 93.1 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -90.6 | 0.8 | -177.1 | -62.3 | -178.9 | 9.9 | 0 | 0 | 113.3 | D222 L228 | D222-Q226 WeakPolarHBondContact O-CB 3.29Å; D222-Q226 WeakPolarHBondContact O-CG 3.29Å; D222-Q226 PolarHBondContact O-N 3.03Å; Q226-L228 HydrophobicContact CB-CD1 3.98Å; Q226-L228 HydrophobicContact CB-CG 3.82Å |
| 227 | R | 95.6 | Very high | 92.8 | Very high | 87 Ų | 87 | 47.8 Ų | 47.8 | 33% | 0.328 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 50.4 | -176.2 | -57.5 | -176.4 | 178.7 | 178.3 | 0.2 | 112.6 | D79 H223 L224 R225 F253 R254 | D79-R227 PolarHBondContact O-NH2 2.92Å; H223-R227 CarbonylContact O-C 3.44Å; H223-R227 WeakPolarHBondContact O-CA 3.42Å; H223-R227 PolarHBondContact O-N 3.26Å; L224-R227 PolarHBondContact O-N 2.93Å; R225-R227 VanDerWaalsContact C-N 3.35Å; R227-F253 VanDerWaalsContact CA-CD1 3.43Å; R227-F253 HydrophobicContact CB-CB 4.4Å; R227-F253 HydrophobicContact CB-CD1 3.69Å; R227-F253 HydrophobicContact CB-CD2 4.24Å; R227-F253 HydrophobicContact CB-CE1 3.87Å; R227-F253 HydrophobicContact CB-CE2 4.39Å; R227-F253 HydrophobicContact CB-CG 3.86Å; R227-F253 HydrophobicContact CB-CZ 4.21Å; R227-F253 HydrophobicContact CG-CD1 4.42Å; R227-F253 HydrophobicContact CG-CE1 4.14Å; R227-F253 HydrophobicContact CG-CE2 4.3Å; R227-F253 HydrophobicContact CG-CZ 4.06Å; R227-F253 CarbonylContact O-C 3.55Å; R227-F253 WeakPolarHBondContact O-CA 3.38Å; R227-F253 WeakPolarHBondContact O-CB 3.26Å; R227-R254 PolarHBondContact O-N 3.28Å |
| 228 | L | 96.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139 | 179 | -57.9 | 176 | 0 | 0 | 0 | 111.9 | V177 H223 Q226 R254 A256 | V177-L228 WeakPolarHBondContact CG1-O 3.4Å; H223-L228 HydrophobicContact CB-CB 4.09Å; H223-L228 PolarHBondContact O-N 2.85Å; Q226-L228 HydrophobicContact CB-CD1 3.98Å; Q226-L228 HydrophobicContact CB-CG 3.82Å; L228-R254 CarbonylContact C-O 3.55Å; L228-R254 VanDerWaalsContact CA-O 3.22Å; L228-R254 WeakPolarHBondContact CA-O 3.42Å; L228-A256 HydrophobicContact CB-CB 4.22Å |
| 229 | I | 96 | Very high | 92.4 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.9 | 174.5 | -50.1 | 177.1 | 0 | 0 | 0 | 107.8 | F175 Y245 L248 L249 F253 R254 A256 | F175-I229 HydrophobicContact CD1-CG2 3.47Å; F175-I229 VanDerWaalsContact CD1-CG2 3.47Å; F175-I229 HydrophobicContact CE1-CG2 3.67Å; F175-I229 HydrophobicContact CG-CG2 4.19Å; I229-Y245 HydrophobicContact CD1-CD2 3.8Å; I229-Y245 HydrophobicContact CD1-CE2 3.66Å; I229-Y245 HydrophobicContact CG2-CD2 4.05Å; I229-Y245 HydrophobicContact CG2-CE2 4.28Å; I229-L248 HydrophobicContact CD1-CB 3.63Å; I229-L248 HydrophobicContact CD1-CD1 4.28Å; I229-L248 HydrophobicContact CG1-CB 4.16Å; I229-L248 HydrophobicContact CG1-CD1 4.18Å; I229-L248 HydrophobicContact CG2-CD1 4.2Å; I229-L249 HydrophobicContact CD1-CD2 3.97Å; I229-L249 HydrophobicContact CD1-CG 4.38Å; I229-F253 HydrophobicContact CD1-CB 3.84Å; I229-F253 HydrophobicContact CG1-CB 3.61Å; I229-R254 PolarHBondContact N-O 2.85Å; I229-A256 PolarHBondContact O-N 3.06Å |
| 230 | A | 94.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | trans | -143.9 | 146 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F175 S176 H223 A256 | F175-A230 WeakPolarHBondContact CA-O 3.48Å; S176-A230 PolarHBondContact N-O 2.89Å; S176-A230 PolarHBondContact OG-O 2.91Å; H223-A230 WeakPolarHBondContact CE1-CB 2.9Å; A230-A256 HydrophobicContact CB-CB 4Å | ||
| 231 | T | 92.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | trans | -148.7 | 138.9 | 174.7 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | E174 I237 L264 | E174-T231 WeakPolarHBondContact O-CB 3.41Å; E174-T231 PolarHBondContact O-OG1 2.9Å; T231-I237 HydrophobicContact CG2-CD1 3.87Å; T231-L264 HydrophobicContact CG2-CD1 3.66Å; T231-L264 HydrophobicContact CG2-CD2 3.62Å; T231-L264 HydrophobicContact CG2-CG 4.31Å | ||
| 232 | H | 87.7 | Confident | 92.3 | Very high | 110 Ų | 110 | 46.7 Ų | 46.7 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -100.7 | -10.3 | 175.4 | -74.4 | -44.4 | 0 | 0 | 0 | 113.3 | Y214 P234 | Y214-H232 AromaticContact CE1-CD2 3.81Å; Y214-H232 AromaticContact CE1-NE2 3.96Å; Y214-H232 HydrophobicContact CE2-CB 4.38Å; Y214-H232 AromaticContact CE2-CD2 3.64Å; Y214-H232 AromaticContact CZ-CD2 3.23Å; Y214-H232 AromaticContact CZ-CG 3.99Å; Y214-H232 AromaticContact CZ-NE2 3.49Å; Y214-H232 PolarHBondContact OH-CD2 3.36Å; Y214-H232 PolarHBondContact OH-CE1 2.76Å; Y214-H232 PolarHBondContact OH-NE2 3.46Å; H232-P234 VanDerWaalsContact O-CD 3.24Å; H232-P234 WeakPolarHBondContact O-CD 3.37Å |
| 233 | N | 86.1 | Confident | 92.4 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | trans | -120.1 | 62.7 | -177.4 | -65.1 | 25.6 | 0 | 0 | 0 | 110.7 | E235 E236 | N233-E235 PolarHBondContact O-N 2.89Å; N233-E235 VanDerWaalsContact O-N 3.16Å; N233-E236 HydrophobicContact CB-CB 4.22Å; N233-E236 HydrophobicContact CB-CG 4.14Å; N233-E236 PolarHBondContact ND2-OE2 2.63Å; N233-E236 PolarHBondContact O-N 3.45Å; N233-E236 VanDerWaalsContact O-N 3.07Å | ||
| 234 | P | 88.1 | Confident | 92.3 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 29% | 0.286 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -55.3 | -34 | 179.8 | 24.4 | -34.6 | 0 | 0 | 0 | 112.2 | H232 E236 I237 L264 Y267 | H232-P234 VanDerWaalsContact O-CD 3.24Å; H232-P234 WeakPolarHBondContact O-CD 3.37Å; P234-E236 PolarHBondContact O-N 2.75Å; P234-I237 WeakPolarHBondContact O-CB 3.46Å; P234-I237 PolarHBondContact O-N 3.37Å; P234-I237 VanDerWaalsContact O-N 3.12Å; P234-L264 HydrophobicContact CB-CD1 3.6Å; P234-Y267 WeakPolarHBondContact O-CD1 3.4Å; P234-Y267 WeakPolarHBondContact O-CE1 3.49Å |
| 235 | E | 86.6 | Confident | 92.4 | Very high | 95 Ų | 95 | 45.2 Ų | 45.2 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -64 | -18.4 | -179.9 | 71.7 | -71 | 167.7 | 0 | 0 | 114.8 | N233 Y267 | N233-E235 PolarHBondContact O-N 2.89Å; N233-E235 VanDerWaalsContact O-N 3.16Å; E235-Y267 WeakPolarHBondContact CA-OH 3.39Å; E235-Y267 PolarHBondContact O-OH 2.89Å |
| 236 | E | 86.8 | Confident | 92.5 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -94 | -7.8 | 179.4 | -60.7 | -160.7 | 133.9 | 0 | 0 | 112.8 | R170 R171 N233 P234 | R170-E236 IonicContact CZ-OE1 3.97Å; R170-E236 IonicContact NE-OE1 3.33Å; R170-E236 PolarHBondContact NE-OE1 2.81Å; R170-E236 IonicContact NH2-OE1 3.47Å; R171-E236 WeakPolarHBondContact CD-O 3.12Å; R171-E236 HydrophobicContact CG-CB 4.16Å; R171-E236 PolarHBondContact NH1-O 3.36Å; N233-E236 HydrophobicContact CB-CB 4.22Å; N233-E236 HydrophobicContact CB-CG 4.14Å; N233-E236 PolarHBondContact ND2-OE2 2.63Å; N233-E236 PolarHBondContact O-N 3.45Å; N233-E236 VanDerWaalsContact O-N 3.07Å; P234-E236 PolarHBondContact O-N 2.75Å |
| 237 | I | 88.4 | Confident | 92.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | trans | -73.5 | 130.7 | 174.5 | -61.8 | -179.3 | 0 | 0 | 0 | 109.6 | F175 T231 P234 L264 M268 R271 | F175-I237 HydrophobicContact CE1-CD1 4.37Å; F175-I237 HydrophobicContact CZ-CD1 4.48Å; T231-I237 HydrophobicContact CG2-CD1 3.87Å; P234-I237 WeakPolarHBondContact O-CB 3.46Å; P234-I237 PolarHBondContact O-N 3.37Å; P234-I237 VanDerWaalsContact O-N 3.12Å; I237-L264 HydrophobicContact CD1-CD1 4.24Å; I237-M268 HydrophobicContact CG2-CG 4.19Å; I237-R271 WeakPolarHBondContact O-CG 3.47Å | ||
| 238 | R | 91.8 | Very high | 92.5 | Very high | 116 Ų | 116 | 29.3 Ų | 29.3 | 44% | 0.438 | 15% | 0.149 | S | C | . | . | trans | -94.3 | 177.9 | 170.2 | -69 | -61 | -171.2 | -167.3 | -3.9 | 110.5 | G240 G241 D275 | R238-G240 PolarHBondContact O-N 3.25Å; R238-G241 PolarHBondContact O-N 2.89Å; R238-D275 WeakPolarHBondContact CA-OD2 3.46Å; R238-D275 WeakPolarHBondContact CB-OD2 3.43Å; R238-D275 WeakPolarHBondContact CD-OD2 3.5Å | ||
| 239 | G | 89.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G241 L242 F272 D275 | G239-G241 PolarHBondContact O-N 3.45Å; G239-L242 PolarHBondContact O-N 3.3Å; G239-F272 WeakPolarHBondContact O-CD2 3.48Å; G239-D275 PolarHBondContact N-OD2 3.07Å |
| 240 | G | 92.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 29% | 0.289 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.8 | -24.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R238 L242 L243 K244 | R238-G240 PolarHBondContact O-N 3.25Å; G240-L242 VanDerWaalsContact C-N 3.29Å; G240-L242 PolarHBondContact O-N 2.76Å; G240-L243 WeakPolarHBondContact O-CB 3.5Å; G240-L243 PolarHBondContact O-N 2.99Å; G240-L243 VanDerWaalsContact O-N 3.11Å; G240-K244 PolarHBondContact O-N 2.92Å; G240-K244 VanDerWaalsContact O-N 3.12Å |
| 241 | G | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.8 | -32.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R238 G239 L243 K244 Y245 | R238-G241 PolarHBondContact O-N 2.89Å; G239-G241 PolarHBondContact O-N 3.45Å; G241-L243 VanDerWaalsContact C-N 3.31Å; G241-L243 PolarHBondContact O-N 2.88Å; G241-K244 PolarHBondContact O-N 3.35Å; G241-Y245 VanDerWaalsContact O-CB 3.28Å; G241-Y245 WeakPolarHBondContact O-CB 3.4Å; G241-Y245 PolarHBondContact O-N 2.89Å |
| 242 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.5 | 179.9 | 63.5 | 0 | 0 | 0 | 111.7 | G239 G240 S246 M268 F272 L309 V312 I313 | G239-L242 PolarHBondContact O-N 3.3Å; G240-L242 VanDerWaalsContact C-N 3.29Å; G240-L242 PolarHBondContact O-N 2.76Å; L242-S246 WeakPolarHBondContact O-CB 3.26Å; L242-S246 PolarHBondContact O-N 3.36Å; L242-S246 PolarHBondContact O-OG 3.07Å; L242-M268 HydrophobicContact CB-CB 4.13Å; L242-M268 HydrophobicContact CD1-CB 4.15Å; L242-F272 HydrophobicContact CB-CB 4.33Å; L242-F272 HydrophobicContact CB-CD2 4.48Å; L242-F272 HydrophobicContact CD2-CB 3.74Å; L242-F272 HydrophobicContact CD2-CD1 4.18Å; L242-F272 HydrophobicContact CD2-CD2 4.1Å; L242-F272 HydrophobicContact CD2-CG 3.75Å; L242-L309 HydrophobicContact CD1-CD1 4.47Å; L242-L309 HydrophobicContact CD2-CD1 4.01Å; L242-L309 HydrophobicContact CG-CD1 3.83Å; L242-V312 HydrophobicContact CD1-CG1 3.72Å; L242-I313 HydrophobicContact CD2-CD1 4.13Å; L242-I313 HydrophobicContact CD2-CG1 3.92Å |
| 243 | L | 96.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 179.2 | -59.3 | -176.3 | 0 | 0 | 0 | 110.5 | G240 G241 S246 D247 F272 I286 Y289 Y305 L309 | G240-L243 WeakPolarHBondContact O-CB 3.5Å; G240-L243 PolarHBondContact O-N 2.99Å; G240-L243 VanDerWaalsContact O-N 3.11Å; G241-L243 VanDerWaalsContact C-N 3.31Å; G241-L243 PolarHBondContact O-N 2.88Å; L243-S246 PolarHBondContact O-N 3.44Å; L243-D247 PolarHBondContact O-N 3.43Å; L243-D247 VanDerWaalsContact O-N 3.13Å; L243-F272 HydrophobicContact CD2-CE2 4.03Å; L243-F272 HydrophobicContact CG-CE2 4.35Å; L243-I286 HydrophobicContact CD2-CG1 3.89Å; L243-Y289 HydrophobicContact CB-CD2 3.91Å; L243-Y289 HydrophobicContact CB-CE2 3.97Å; L243-Y289 HydrophobicContact CB-CG 4.2Å; L243-Y289 HydrophobicContact CD1-CD2 4.09Å; L243-Y289 HydrophobicContact CD1-CG 4.23Å; L243-Y305 VanDerWaalsContact CA-OH 3.28Å; L243-Y305 WeakPolarHBondContact CA-OH 3.43Å; L243-Y305 WeakPolarHBondContact CB-OH 3.36Å; L243-Y305 WeakPolarHBondContact O-CE2 3.39Å; L243-Y305 PolarHBondContact O-OH 3.37Å; L243-L309 HydrophobicContact CD2-CD1 4.13Å; L243-L309 HydrophobicContact CD2-CD2 3.85Å |
| 244 | K | 94.8 | Very high | 93.2 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 176.4 | -175.2 | 174.6 | -177.4 | 170.4 | 0 | 113.1 | E174 F175 D178 G240 G241 S246 D247 L248 | E174-K244 HydrophobicContact CB-CD 4.4Å; E174-K244 WeakPolarHBondContact OE2-CD 3.24Å; E174-K244 WeakPolarHBondContact OE2-CE 3.15Å; E174-K244 IonicContact OE2-NZ 3.17Å; E174-K244 PolarHBondContact OE2-NZ 3.15Å; F175-K244 HydrophobicContact CD2-CD 4.03Å; F175-K244 HydrophobicContact CD2-CG 4.25Å; F175-K244 HydrophobicContact CE2-CB 4.25Å; F175-K244 HydrophobicContact CE2-CD 4.07Å; F175-K244 HydrophobicContact CE2-CG 4.03Å; D178-K244 IonicContact OD1-NZ 3.78Å; D178-K244 PolarHBondContact OD1-NZ 3.32Å; D178-K244 IonicContact OD2-NZ 2.66Å; D178-K244 PolarHBondContact OD2-NZ 3.48Å; G240-K244 PolarHBondContact O-N 2.92Å; G240-K244 VanDerWaalsContact O-N 3.12Å; G241-K244 PolarHBondContact O-N 3.35Å; K244-S246 VanDerWaalsContact C-N 3.3Å; K244-S246 PolarHBondContact O-N 2.89Å; K244-D247 WeakPolarHBondContact O-CB 3.4Å; K244-D247 PolarHBondContact O-N 2.79Å; K244-D247 VanDerWaalsContact O-N 3.14Å; K244-L248 WeakPolarHBondContact O-CG 3.42Å; K244-L248 PolarHBondContact O-N 2.88Å |
| 245 | Y | 96.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 174 | 172.4 | -115.8 | 0 | 0 | 0 | 111.5 | I229 G241 D247 L248 L249 I261 E265 M268 V312 | I229-Y245 HydrophobicContact CD1-CD2 3.8Å; I229-Y245 HydrophobicContact CD1-CE2 3.66Å; I229-Y245 HydrophobicContact CG2-CD2 4.05Å; I229-Y245 HydrophobicContact CG2-CE2 4.28Å; G241-Y245 VanDerWaalsContact O-CB 3.28Å; G241-Y245 WeakPolarHBondContact O-CB 3.4Å; G241-Y245 PolarHBondContact O-N 2.89Å; Y245-D247 VanDerWaalsContact C-N 3.28Å; Y245-D247 PolarHBondContact O-N 3.11Å; Y245-L248 WeakPolarHBondContact O-CB 3.4Å; Y245-L248 PolarHBondContact O-N 2.93Å; Y245-L249 HydrophobicContact CD1-CD1 4.19Å; Y245-L249 HydrophobicContact CE1-CD1 3.59Å; Y245-L249 HydrophobicContact CE1-CG 4.29Å; Y245-L249 HydrophobicContact CE2-CD1 4.23Å; Y245-L249 HydrophobicContact CE2-CD2 4.08Å; Y245-L249 HydrophobicContact CE2-CG 4.05Å; Y245-L249 WeakPolarHBondContact O-CG 3.25Å; Y245-L249 PolarHBondContact O-N 2.88Å; Y245-I261 HydrophobicContact CE2-CD1 3.62Å; Y245-I261 HydrophobicContact CE2-CG1 4.34Å; Y245-I261 WeakPolarHBondContact OH-CD1 3.28Å; Y245-I261 VanDerWaalsContact OH-CG1 3.26Å; Y245-I261 WeakPolarHBondContact OH-CG1 3.5Å; Y245-E265 HydrophobicContact CE1-CG 3.65Å; Y245-E265 WeakPolarHBondContact CE1-OE1 3.35Å; Y245-E265 PolarHBondContact OH-OE1 2.9Å; Y245-M268 HydrophobicContact CD1-CE 3.95Å; Y245-M268 HydrophobicContact CD1-SD 4.42Å; Y245-M268 HydrophobicContact CD2-CE 3.88Å; Y245-M268 HydrophobicContact CE1-CE 4.49Å; Y245-M268 HydrophobicContact CE2-CE 4.46Å; Y245-M268 HydrophobicContact CG-CE 3.6Å; Y245-M268 HydrophobicContact CG-SD 4.04Å; Y245-V312 HydrophobicContact CD1-CG1 4.3Å; Y245-V312 HydrophobicContact CD1-CG2 4.47Å; Y245-V312 HydrophobicContact CE1-CG1 4.05Å; Y245-V312 HydrophobicContact CE1-CG2 3.96Å |
| 246 | S | 97 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | L242 L243 K244 L249 V250 L309 | L242-S246 WeakPolarHBondContact O-CB 3.26Å; L242-S246 PolarHBondContact O-N 3.36Å; L242-S246 PolarHBondContact O-OG 3.07Å; L243-S246 PolarHBondContact O-N 3.44Å; K244-S246 VanDerWaalsContact C-N 3.3Å; K244-S246 PolarHBondContact O-N 2.89Å; S246-L249 PolarHBondContact O-N 3.4Å; S246-V250 VanDerWaalsContact O-CG2 3.32Å; S246-V250 WeakPolarHBondContact O-CG2 3.35Å; S246-V250 PolarHBondContact O-N 3.12Å; S246-L309 WeakPolarHBondContact OG-CD1 3.43Å |
| 247 | D | 94.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67 | -45.6 | 174.6 | -177.6 | 30.7 | 0 | 0 | 0 | 111.2 | L243 K244 Y245 L249 V250 R251 Y289 F294 Y305 | L243-D247 PolarHBondContact O-N 3.43Å; L243-D247 VanDerWaalsContact O-N 3.13Å; K244-D247 WeakPolarHBondContact O-CB 3.4Å; K244-D247 PolarHBondContact O-N 2.79Å; K244-D247 VanDerWaalsContact O-N 3.14Å; Y245-D247 VanDerWaalsContact C-N 3.28Å; Y245-D247 PolarHBondContact O-N 3.11Å; D247-L249 VanDerWaalsContact C-N 3.3Å; D247-L249 PolarHBondContact O-N 2.83Å; D247-V250 PolarHBondContact O-N 3.05Å; D247-R251 VanDerWaalsContact CG-NE 3.35Å; D247-R251 WeakPolarHBondContact O-CG 3.45Å; D247-R251 PolarHBondContact O-N 3.39Å; D247-R251 IonicContact OD1-CZ 2.84Å; D247-R251 IonicContact OD1-NE 2.86Å; D247-R251 PolarHBondContact OD1-NE 2.74Å; D247-R251 IonicContact OD1-NH2 2.59Å; D247-R251 IonicContact OD2-CZ 2.65Å; D247-R251 IonicContact OD2-NE 3.94Å; D247-R251 PolarHBondContact OD2-NE 3.48Å; D247-R251 IonicContact OD2-NH2 3.88Å; D247-Y289 HydrophobicContact CB-CE1 4.08Å; D247-Y289 VanDerWaalsContact CB-OH 3.27Å; D247-Y289 WeakPolarHBondContact CB-OH 3.32Å; D247-Y289 PolarHBondContact OD2-OH 3.16Å; D247-F294 WeakPolarHBondContact OD1-CZ 3.41Å; D247-Y305 HydrophobicContact CB-CD2 4.27Å; D247-Y305 HydrophobicContact CB-CE2 3.9Å |
| 248 | L | 95.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -43.7 | 174.6 | -68.9 | 175.9 | 0 | 0 | 0 | 111.7 | L82 F175 V177 I229 K244 Y245 V250 R251 N252 F253 | L82-L248 HydrophobicContact CD2-CD2 3.39Å; F175-L248 HydrophobicContact CB-CD1 4.45Å; F175-L248 HydrophobicContact CD2-CD1 3.69Å; F175-L248 HydrophobicContact CE2-CD1 4.08Å; F175-L248 HydrophobicContact CG-CD1 4.01Å; V177-L248 HydrophobicContact CG2-CD1 4.24Å; V177-L248 HydrophobicContact CG2-CD2 4.11Å; I229-L248 HydrophobicContact CD1-CB 3.63Å; I229-L248 HydrophobicContact CD1-CD1 4.28Å; I229-L248 HydrophobicContact CG1-CB 4.16Å; I229-L248 HydrophobicContact CG1-CD1 4.18Å; I229-L248 HydrophobicContact CG2-CD1 4.2Å; K244-L248 WeakPolarHBondContact O-CG 3.42Å; K244-L248 PolarHBondContact O-N 2.88Å; Y245-L248 WeakPolarHBondContact O-CB 3.4Å; Y245-L248 PolarHBondContact O-N 2.93Å; L248-V250 PolarHBondContact O-N 3.43Å; L248-R251 CarbonylContact O-C 3.48Å; L248-R251 PolarHBondContact O-N 3.19Å; L248-N252 PolarHBondContact O-N 3.31Å; L248-F253 HydrophobicContact CB-CB 4.04Å; L248-F253 HydrophobicContact CB-CG 4.31Å; L248-F253 HydrophobicContact CD2-CD1 4.34Å; L248-F253 HydrophobicContact CD2-CD2 4.2Å; L248-F253 HydrophobicContact CD2-CE2 4.42Å; L248-F253 HydrophobicContact CD2-CG 4.18Å; L248-F253 VanDerWaalsContact O-CB 3.26Å; L248-F253 WeakPolarHBondContact O-CB 3.49Å; L248-F253 WeakPolarHBondContact O-CD2 3.49Å; L248-F253 PolarHBondContact O-N 2.92Å |
| 249 | L | 96.3 | Very high | 94 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 177.2 | -70.6 | 179.8 | 0 | 0 | 0 | 112.7 | I229 Y245 S246 D247 R251 N252 T308 V312 | I229-L249 HydrophobicContact CD1-CD2 3.97Å; I229-L249 HydrophobicContact CD1-CG 4.38Å; Y245-L249 HydrophobicContact CD1-CD1 4.19Å; Y245-L249 HydrophobicContact CE1-CD1 3.59Å; Y245-L249 HydrophobicContact CE1-CG 4.29Å; Y245-L249 HydrophobicContact CE2-CD1 4.23Å; Y245-L249 HydrophobicContact CE2-CD2 4.08Å; Y245-L249 HydrophobicContact CE2-CG 4.05Å; Y245-L249 WeakPolarHBondContact O-CG 3.25Å; Y245-L249 PolarHBondContact O-N 2.88Å; S246-L249 PolarHBondContact O-N 3.4Å; D247-L249 VanDerWaalsContact C-N 3.3Å; D247-L249 PolarHBondContact O-N 2.83Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 PolarHBondContact O-N 3.25Å; L249-N252 PolarHBondContact O-N 3.31Å; L249-T308 HydrophobicContact CB-CG2 3.79Å; L249-T308 HydrophobicContact CD1-CG2 3.73Å; L249-T308 HydrophobicContact CG-CG2 4.45Å; L249-V312 HydrophobicContact CD1-CG2 3.99Å |
| 250 | V | 94.5 | Very high | 94 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -32.9 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | S246 D247 L248 N252 D304 Y305 T308 | S246-V250 VanDerWaalsContact O-CG2 3.32Å; S246-V250 WeakPolarHBondContact O-CG2 3.35Å; S246-V250 PolarHBondContact O-N 3.12Å; D247-V250 PolarHBondContact O-N 3.05Å; L248-V250 PolarHBondContact O-N 3.43Å; V250-N252 PolarHBondContact O-N 3.28Å; V250-N252 VanDerWaalsContact O-N 3.14Å; V250-D304 HydrophobicContact CG1-CB 4.33Å; V250-Y305 VanDerWaalsContact CG2-CA 3.47Å; V250-Y305 HydrophobicContact CG2-CD2 4.25Å; V250-T308 HydrophobicContact CG2-CG2 4.38Å |
| 251 | R | 92.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 12.2 | 173.5 | -65.5 | 172.6 | -176.4 | -81.7 | -7.6 | 113.4 | G81 L82 D247 L248 L249 F253 E298 | G81-R251 WeakPolarHBondContact O-CD 3.47Å; G81-R251 PolarHBondContact O-NH1 3.25Å; G81-R251 VanDerWaalsContact O-NH1 3.12Å; L82-R251 PolarHBondContact O-NH1 2.96Å; D247-R251 VanDerWaalsContact CG-NE 3.35Å; D247-R251 WeakPolarHBondContact O-CG 3.45Å; D247-R251 PolarHBondContact O-N 3.39Å; D247-R251 IonicContact OD1-CZ 2.84Å; D247-R251 IonicContact OD1-NE 2.86Å; D247-R251 PolarHBondContact OD1-NE 2.74Å; D247-R251 IonicContact OD1-NH2 2.59Å; D247-R251 IonicContact OD2-CZ 2.65Å; D247-R251 IonicContact OD2-NE 3.94Å; D247-R251 PolarHBondContact OD2-NE 3.48Å; D247-R251 IonicContact OD2-NH2 3.88Å; L248-R251 CarbonylContact O-C 3.48Å; L248-R251 PolarHBondContact O-N 3.19Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 PolarHBondContact O-N 3.25Å; R251-F253 VanDerWaalsContact C-N 3.31Å; R251-F253 HydrophobicContact CB-CD2 3.87Å; R251-F253 HydrophobicContact CB-CE2 4.06Å; R251-F253 PolarHBondContact O-N 3.41Å; R251-E298 IonicContact CZ-OE1 3.1Å; R251-E298 IonicContact CZ-OE2 2.81Å; R251-E298 IonicContact NH1-OE1 2.69Å; R251-E298 PolarHBondContact NH1-OE1 2.77Å; R251-E298 IonicContact NH1-OE2 2.61Å; R251-E298 IonicContact NH2-OE1 3.5Å; R251-E298 IonicContact NH2-OE2 2.83Å; R251-E298 PolarHBondContact NH2-OE2 2.85Å |
| 252 | N | 94.1 | Very high | 93.9 | Very high | 116 Ų | 116 | 51.3 Ų | 51.3 | 62% | 0.62 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 25.5 | -180 | -57.6 | -74.7 | 0 | 0 | 0 | 114.7 | L248 L249 V250 | L248-N252 PolarHBondContact O-N 3.31Å; L249-N252 PolarHBondContact O-N 3.31Å; V250-N252 PolarHBondContact O-N 3.28Å; V250-N252 VanDerWaalsContact O-N 3.14Å |
| 253 | F | 96.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | trans | -77.6 | 149.5 | 166.2 | -70.3 | -113 | 0 | 0 | 0 | 110.1 | N80 L82 V177 R227 I229 L248 R251 | N80-F253 VanDerWaalsContact O-CZ 3.25Å; N80-F253 WeakPolarHBondContact O-CZ 3.38Å; L82-F253 HydrophobicContact CD1-CZ 4.42Å; L82-F253 HydrophobicContact CD2-CE1 4.31Å; L82-F253 HydrophobicContact CD2-CE2 3.68Å; L82-F253 HydrophobicContact CD2-CZ 3.55Å; L82-F253 HydrophobicContact CG-CE2 4.22Å; L82-F253 HydrophobicContact CG-CZ 3.76Å; V177-F253 HydrophobicContact CB-CE1 4.28Å; V177-F253 HydrophobicContact CG1-CD1 4.21Å; V177-F253 HydrophobicContact CG1-CE1 3.85Å; V177-F253 HydrophobicContact CG2-CE1 4.46Å; R227-F253 VanDerWaalsContact CA-CD1 3.43Å; R227-F253 HydrophobicContact CB-CB 4.4Å; R227-F253 HydrophobicContact CB-CD1 3.69Å; R227-F253 HydrophobicContact CB-CD2 4.24Å; R227-F253 HydrophobicContact CB-CE1 3.87Å; R227-F253 HydrophobicContact CB-CE2 4.39Å; R227-F253 HydrophobicContact CB-CG 3.86Å; R227-F253 HydrophobicContact CB-CZ 4.21Å; R227-F253 HydrophobicContact CG-CD1 4.42Å; R227-F253 HydrophobicContact CG-CE1 4.14Å; R227-F253 HydrophobicContact CG-CE2 4.3Å; R227-F253 HydrophobicContact CG-CZ 4.06Å; R227-F253 CarbonylContact O-C 3.55Å; R227-F253 WeakPolarHBondContact O-CA 3.38Å; R227-F253 WeakPolarHBondContact O-CB 3.26Å; I229-F253 HydrophobicContact CD1-CB 3.84Å; I229-F253 HydrophobicContact CG1-CB 3.61Å; L248-F253 HydrophobicContact CB-CB 4.04Å; L248-F253 HydrophobicContact CB-CG 4.31Å; L248-F253 HydrophobicContact CD2-CD1 4.34Å; L248-F253 HydrophobicContact CD2-CD2 4.2Å; L248-F253 HydrophobicContact CD2-CE2 4.42Å; L248-F253 HydrophobicContact CD2-CG 4.18Å; L248-F253 VanDerWaalsContact O-CB 3.26Å; L248-F253 WeakPolarHBondContact O-CB 3.49Å; L248-F253 WeakPolarHBondContact O-CD2 3.49Å; L248-F253 PolarHBondContact O-N 2.92Å; R251-F253 VanDerWaalsContact C-N 3.31Å; R251-F253 HydrophobicContact CB-CD2 3.87Å; R251-F253 HydrophobicContact CB-CE2 4.06Å; R251-F253 PolarHBondContact O-N 3.41Å | ||
| 254 | R | 95.8 | Very high | 93.6 | Very high | 185 Ų | 185 | 55 Ų | 55 | 70% | 0.698 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.3 | -178.6 | -60.8 | -176 | -176.9 | -157.5 | -0 | 110.4 | R227 L228 I229 A256 | R227-R254 PolarHBondContact O-N 3.28Å; L228-R254 CarbonylContact C-O 3.55Å; L228-R254 VanDerWaalsContact CA-O 3.22Å; L228-R254 WeakPolarHBondContact CA-O 3.42Å; I229-R254 PolarHBondContact N-O 2.85Å; R254-A256 PolarHBondContact O-N 2.75Å |
| 255 | P | 95.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 53.2 Ų | 53.2 | 24% | 0.24 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 138.5 | 174.2 | -20.6 | 33.1 | 0 | 0 | 0 | 111.5 | S257 I261 | P255-S257 PolarHBondContact O-N 3.28Å; P255-I261 HydrophobicContact CB-CB 3.64Å; P255-I261 HydrophobicContact CB-CD1 3.96Å; P255-I261 HydrophobicContact CB-CG1 3.67Å; P255-I261 HydrophobicContact CB-CG2 4.02Å; P255-I261 HydrophobicContact CG-CB 3.95Å; P255-I261 HydrophobicContact CG-CD1 4.01Å; P255-I261 HydrophobicContact CG-CG1 3.51Å; P255-I261 HydrophobicContact CG-CG2 4.09Å |
| 256 | A | 94.1 | Very high | 93.4 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -65.6 | -27.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 I229 A230 R254 | L228-A256 HydrophobicContact CB-CB 4.22Å; I229-A256 PolarHBondContact O-N 3.06Å; A230-A256 HydrophobicContact CB-CB 4Å; R254-A256 PolarHBondContact O-N 2.75Å |
| 257 | S | 92.7 | Very high | 93.2 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | trans | -140.3 | 121.9 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | P255 T259 E260 I261 | P255-S257 PolarHBondContact O-N 3.28Å; S257-T259 VanDerWaalsContact C-N 3.26Å; S257-T259 PolarHBondContact O-N 3.41Å; S257-T259 PolarHBondContact OG-OG1 3.44Å; S257-E260 PolarHBondContact OG-N 3.43Å; S257-I261 WeakPolarHBondContact O-CB 3.32Å; S257-I261 WeakPolarHBondContact O-CG2 3.4Å; S257-I261 PolarHBondContact O-N 2.96Å; S257-I261 VanDerWaalsContact O-N 3.1Å | ||
| 258 | E | 88.1 | Confident | 93.2 | Very high | 171 Ų | 171 | 62.1 Ų | 62.1 | 80% | 0.799 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.7 | -23.7 | 178.2 | -67.6 | -169.6 | 172.1 | 0 | 0 | 113.3 | I261 | E258-I261 WeakPolarHBondContact O-CG2 3.33Å |
| 259 | T | 86.9 | Confident | 93.2 | Very high | 113 Ų | 113 | 62 Ų | 62 | 69% | 0.693 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79.5 | -46.2 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | S257 | S257-T259 VanDerWaalsContact C-N 3.26Å; S257-T259 PolarHBondContact O-N 3.41Å; S257-T259 PolarHBondContact OG-OG1 3.44Å |
| 260 | E | 89.8 | Confident | 93 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.8 | -31.1 | -178.3 | -65.5 | 177.5 | -177.4 | 0 | 0 | 112.1 | S257 K262 S263 L264 | S257-E260 PolarHBondContact OG-N 3.43Å; E260-K262 VanDerWaalsContact C-N 3.29Å; E260-K262 PolarHBondContact O-N 3.21Å; E260-S263 PolarHBondContact O-N 3.38Å; E260-S263 PolarHBondContact O-OG 3.14Å; E260-L264 PolarHBondContact O-N 3.13Å |
| 261 | I | 92.8 | Very high | 93 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -35.4 | -177.6 | -166.3 | 61.7 | 0 | 0 | 0 | 112.6 | Y245 P255 S257 E258 S263 L264 E265 | Y245-I261 HydrophobicContact CE2-CD1 3.62Å; Y245-I261 HydrophobicContact CE2-CG1 4.34Å; Y245-I261 WeakPolarHBondContact OH-CD1 3.28Å; Y245-I261 VanDerWaalsContact OH-CG1 3.26Å; Y245-I261 WeakPolarHBondContact OH-CG1 3.5Å; P255-I261 HydrophobicContact CB-CB 3.64Å; P255-I261 HydrophobicContact CB-CD1 3.96Å; P255-I261 HydrophobicContact CB-CG1 3.67Å; P255-I261 HydrophobicContact CB-CG2 4.02Å; P255-I261 HydrophobicContact CG-CB 3.95Å; P255-I261 HydrophobicContact CG-CD1 4.01Å; P255-I261 HydrophobicContact CG-CG1 3.51Å; P255-I261 HydrophobicContact CG-CG2 4.09Å; S257-I261 WeakPolarHBondContact O-CB 3.32Å; S257-I261 WeakPolarHBondContact O-CG2 3.4Å; S257-I261 PolarHBondContact O-N 2.96Å; S257-I261 VanDerWaalsContact O-N 3.1Å; E258-I261 WeakPolarHBondContact O-CG2 3.33Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 3.34Å; I261-L264 HydrophobicContact CD1-CB 4.32Å; I261-L264 HydrophobicContact CD1-CD2 3.98Å; I261-L264 CarbonylContact O-C 3.53Å; I261-L264 PolarHBondContact O-N 2.89Å; I261-L264 VanDerWaalsContact O-N 3.1Å; I261-E265 HydrophobicContact CD1-CG 4.44Å; I261-E265 HydrophobicContact CG1-CG 4.12Å; I261-E265 WeakPolarHBondContact O-CB 3.32Å; I261-E265 WeakPolarHBondContact O-CG 3.43Å; I261-E265 PolarHBondContact O-N 3.12Å |
| 262 | K | 92.1 | Very high | 93.2 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -32.5 | 179.3 | -70.3 | -59.6 | -175.7 | -173.5 | 0 | 112.4 | E260 E265 R266 E315 | E260-K262 VanDerWaalsContact C-N 3.29Å; E260-K262 PolarHBondContact O-N 3.21Å; K262-E265 IonicContact NZ-OE2 3.12Å; K262-E265 PolarHBondContact NZ-OE2 3.25Å; K262-R266 WeakPolarHBondContact O-CG 3.28Å; K262-R266 PolarHBondContact O-N 3.42Å; K262-R266 PolarHBondContact O-NE 3.11Å; K262-R266 VanDerWaalsContact O-NE 3.11Å; K262-E315 IonicContact NZ-OE2 2.94Å; K262-E315 PolarHBondContact NZ-OE2 3.41Å |
| 263 | S | 92 | Very high | 93.2 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 169.2 | 37.9 | 0 | 0 | 0 | 0 | 112 | E260 I261 R266 Y267 | E260-S263 PolarHBondContact O-N 3.38Å; E260-S263 PolarHBondContact O-OG 3.14Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 3.34Å; S263-R266 PolarHBondContact O-N 3.48Å; S263-Y267 PolarHBondContact O-N 3.35Å |
| 264 | L | 92.9 | Very high | 93 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | -178.2 | -172.3 | 67.8 | 0 | 0 | 0 | 112.3 | F175 T231 P234 I237 E260 I261 R266 Y267 M268 | F175-L264 HydrophobicContact CE1-CD2 4.41Å; T231-L264 HydrophobicContact CG2-CD1 3.66Å; T231-L264 HydrophobicContact CG2-CD2 3.62Å; T231-L264 HydrophobicContact CG2-CG 4.31Å; P234-L264 HydrophobicContact CB-CD1 3.6Å; I237-L264 HydrophobicContact CD1-CD1 4.24Å; E260-L264 PolarHBondContact O-N 3.13Å; I261-L264 HydrophobicContact CD1-CB 4.32Å; I261-L264 HydrophobicContact CD1-CD2 3.98Å; I261-L264 CarbonylContact O-C 3.53Å; I261-L264 PolarHBondContact O-N 2.89Å; I261-L264 VanDerWaalsContact O-N 3.1Å; L264-R266 PolarHBondContact O-N 2.8Å; L264-Y267 WeakPolarHBondContact O-CB 3.28Å; L264-Y267 PolarHBondContact O-N 3.48Å; L264-M268 HydrophobicContact CB-CE 4.4Å; L264-M268 HydrophobicContact CD1-CE 4.43Å; L264-M268 HydrophobicContact CD2-CE 3.64Å; L264-M268 HydrophobicContact CG-CE 3.47Å; L264-M268 VanDerWaalsContact CG-CE 3.47Å; L264-M268 WeakPolarHBondContact O-CB 3.26Å; L264-M268 WeakPolarHBondContact O-CG 3.39Å; L264-M268 PolarHBondContact O-N 3.41Å |
| 265 | E | 94.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 174 | -74.9 | -179.1 | 165.2 | 0 | 0 | 111.1 | Y245 I261 K262 Y267 M268 C269 V312 S316 | Y245-E265 HydrophobicContact CE1-CG 3.65Å; Y245-E265 WeakPolarHBondContact CE1-OE1 3.35Å; Y245-E265 PolarHBondContact OH-OE1 2.9Å; I261-E265 HydrophobicContact CD1-CG 4.44Å; I261-E265 HydrophobicContact CG1-CG 4.12Å; I261-E265 WeakPolarHBondContact O-CB 3.32Å; I261-E265 WeakPolarHBondContact O-CG 3.43Å; I261-E265 PolarHBondContact O-N 3.12Å; K262-E265 IonicContact NZ-OE2 3.12Å; K262-E265 PolarHBondContact NZ-OE2 3.25Å; E265-Y267 VanDerWaalsContact C-N 3.28Å; E265-Y267 PolarHBondContact O-N 2.99Å; E265-M268 PolarHBondContact O-N 3.43Å; E265-C269 WeakPolarHBondContact O-CB 3.4Å; E265-C269 PolarHBondContact O-N 3.01Å; E265-C269 PolarHBondContact O-SG 2.7Å; E265-C269 VanDerWaalsContact O-SG 3.34Å; E265-V312 HydrophobicContact CB-CG1 4.35Å; E265-V312 HydrophobicContact CG-CG1 4.06Å; E265-S316 WeakPolarHBondContact CB-OG 3.27Å; E265-S316 PolarHBondContact OE2-OG 3.03Å |
| 266 | R | 92.7 | Very high | 92.9 | Very high | 127 Ų | 127 | 54.7 Ų | 54.7 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 174.9 | -77 | -179.6 | -116.3 | 153.3 | -5 | 112 | K262 S263 L264 S270 S316 | K262-R266 WeakPolarHBondContact O-CG 3.28Å; K262-R266 PolarHBondContact O-N 3.42Å; K262-R266 PolarHBondContact O-NE 3.11Å; K262-R266 VanDerWaalsContact O-NE 3.11Å; S263-R266 PolarHBondContact O-N 3.48Å; L264-R266 PolarHBondContact O-N 2.8Å; R266-S270 WeakPolarHBondContact O-CB 3.45Å; R266-S270 PolarHBondContact O-N 3.36Å; R266-S270 PolarHBondContact O-OG 3.12Å; R266-S316 WeakPolarHBondContact CA-O 3.34Å; R266-S316 WeakPolarHBondContact CG-O 3.5Å |
| 267 | Y | 93.7 | Very high | 92.8 | Very high | 75 Ų | 75 | 56 Ų | 56 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 176.6 | -175.6 | -85.4 | 0 | 0 | 0 | 111.2 | P234 E235 S263 L264 E265 C269 S270 R271 | P234-Y267 WeakPolarHBondContact O-CD1 3.4Å; P234-Y267 WeakPolarHBondContact O-CE1 3.49Å; E235-Y267 WeakPolarHBondContact CA-OH 3.39Å; E235-Y267 PolarHBondContact O-OH 2.89Å; S263-Y267 PolarHBondContact O-N 3.35Å; L264-Y267 WeakPolarHBondContact O-CB 3.28Å; L264-Y267 PolarHBondContact O-N 3.48Å; E265-Y267 VanDerWaalsContact C-N 3.28Å; E265-Y267 PolarHBondContact O-N 2.99Å; Y267-C269 PolarHBondContact O-N 3.1Å; Y267-S270 PolarHBondContact O-N 2.86Å; Y267-R271 HydrophobicContact CE1-CB 4.24Å; Y267-R271 WeakPolarHBondContact O-CB 3.32Å; Y267-R271 PolarHBondContact O-N 3.02Å |
| 268 | M | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 179.4 | -74.1 | -166 | -103.3 | 0 | 0 | 112.2 | F175 I237 L242 Y245 L264 E265 R271 F272 | F175-M268 HydrophobicContact CE1-CE 4.3Å; F175-M268 HydrophobicContact CZ-CE 4.25Å; F175-M268 HydrophobicContact CZ-SD 4.06Å; I237-M268 HydrophobicContact CG2-CG 4.19Å; L242-M268 HydrophobicContact CB-CB 4.13Å; L242-M268 HydrophobicContact CD1-CB 4.15Å; Y245-M268 HydrophobicContact CD1-CE 3.95Å; Y245-M268 HydrophobicContact CD1-SD 4.42Å; Y245-M268 HydrophobicContact CD2-CE 3.88Å; Y245-M268 HydrophobicContact CE1-CE 4.49Å; Y245-M268 HydrophobicContact CE2-CE 4.46Å; Y245-M268 HydrophobicContact CG-CE 3.6Å; Y245-M268 HydrophobicContact CG-SD 4.04Å; L264-M268 HydrophobicContact CB-CE 4.4Å; L264-M268 HydrophobicContact CD1-CE 4.43Å; L264-M268 HydrophobicContact CD2-CE 3.64Å; L264-M268 HydrophobicContact CG-CE 3.47Å; L264-M268 VanDerWaalsContact CG-CE 3.47Å; L264-M268 WeakPolarHBondContact O-CB 3.26Å; L264-M268 WeakPolarHBondContact O-CG 3.39Å; L264-M268 PolarHBondContact O-N 3.41Å; E265-M268 PolarHBondContact O-N 3.43Å; M268-R271 PolarHBondContact O-N 3.16Å; M268-F272 WeakPolarHBondContact O-CB 3.24Å; M268-F272 PolarHBondContact O-N 2.83Å |
| 269 | C | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -50 | 174.2 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | E265 Y267 R271 F272 F273 | E265-C269 WeakPolarHBondContact O-CB 3.4Å; E265-C269 PolarHBondContact O-N 3.01Å; E265-C269 PolarHBondContact O-SG 2.7Å; E265-C269 VanDerWaalsContact O-SG 3.34Å; Y267-C269 PolarHBondContact O-N 3.1Å; C269-R271 VanDerWaalsContact C-N 3.32Å; C269-R271 PolarHBondContact O-N 3.07Å; C269-F272 WeakPolarHBondContact O-CB 3.44Å; C269-F272 PolarHBondContact O-N 2.76Å; C269-F273 WeakPolarHBondContact O-CD2 3.48Å; C269-F273 PolarHBondContact O-N 2.91Å; C269-F273 VanDerWaalsContact O-N 3.13Å |
| 270 | S | 92.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 51.9 Ų | 51.9 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | R266 Y267 F272 F273 I274 | R266-S270 WeakPolarHBondContact O-CB 3.45Å; R266-S270 PolarHBondContact O-N 3.36Å; R266-S270 PolarHBondContact O-OG 3.12Å; Y267-S270 PolarHBondContact O-N 2.86Å; S270-F272 VanDerWaalsContact C-N 3.34Å; S270-F272 PolarHBondContact O-N 2.88Å; S270-F273 PolarHBondContact O-N 3.49Å; S270-I274 WeakPolarHBondContact O-CD1 3.36Å; S270-I274 VanDerWaalsContact O-CG1 3.24Å; S270-I274 WeakPolarHBondContact O-CG1 3.38Å; S270-I274 PolarHBondContact O-N 3.48Å |
| 271 | R | 94.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -35.9 | 178.1 | -165.5 | 74.5 | -144.8 | 167.8 | 7 | 112.5 | I237 Y267 M268 C269 I274 D275 | I237-R271 WeakPolarHBondContact O-CG 3.47Å; Y267-R271 HydrophobicContact CE1-CB 4.24Å; Y267-R271 WeakPolarHBondContact O-CB 3.32Å; Y267-R271 PolarHBondContact O-N 3.02Å; M268-R271 PolarHBondContact O-N 3.16Å; C269-R271 VanDerWaalsContact C-N 3.32Å; C269-R271 PolarHBondContact O-N 3.07Å; R271-I274 PolarHBondContact O-N 3.05Å; R271-D275 IonicContact CZ-OD1 3.22Å; R271-D275 IonicContact NE-OD1 3.03Å; R271-D275 PolarHBondContact NE-OD1 3.31Å; R271-D275 IonicContact NE-OD2 3.27Å; R271-D275 PolarHBondContact NE-OD2 3.13Å; R271-D275 IonicContact NH2-OD1 2.68Å; R271-D275 PolarHBondContact NH2-OD1 3.2Å; R271-D275 WeakPolarHBondContact O-CB 3.28Å; R271-D275 PolarHBondContact O-N 3.35Å |
| 272 | F | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 174.7 | 178.4 | -95.4 | 0 | 0 | 0 | 111.8 | G239 L242 L243 M268 C269 S270 D275 F276 Q282 I286 T328 | G239-F272 WeakPolarHBondContact O-CD2 3.48Å; L242-F272 HydrophobicContact CB-CB 4.33Å; L242-F272 HydrophobicContact CB-CD2 4.48Å; L242-F272 HydrophobicContact CD2-CB 3.74Å; L242-F272 HydrophobicContact CD2-CD1 4.18Å; L242-F272 HydrophobicContact CD2-CD2 4.1Å; L242-F272 HydrophobicContact CD2-CG 3.75Å; L243-F272 HydrophobicContact CD2-CE2 4.03Å; L243-F272 HydrophobicContact CG-CE2 4.35Å; M268-F272 WeakPolarHBondContact O-CB 3.24Å; M268-F272 PolarHBondContact O-N 2.83Å; C269-F272 WeakPolarHBondContact O-CB 3.44Å; C269-F272 PolarHBondContact O-N 2.76Å; S270-F272 VanDerWaalsContact C-N 3.34Å; S270-F272 PolarHBondContact O-N 2.88Å; F272-D275 PolarHBondContact O-N 3.32Å; F272-F276 AromaticContact CD2-CD2 3.65Å; F272-F276 HydrophobicContact CD2-CD2 3.65Å; F272-F276 HydrophobicContact CD2-CE2 4.01Å; F272-F276 AromaticContact CE2-CD2 3.66Å; F272-F276 HydrophobicContact CE2-CD2 3.66Å; F272-F276 HydrophobicContact CE2-CE2 4.14Å; F272-F276 HydrophobicContact CG-CD2 4.3Å; F272-F276 HydrophobicContact CZ-CD2 4.34Å; F272-F276 WeakPolarHBondContact O-CB 3.4Å; F272-F276 PolarHBondContact O-N 2.95Å; F272-Q282 HydrophobicContact CE1-CB 4.21Å; F272-Q282 HydrophobicContact CE1-CG 3.71Å; F272-Q282 HydrophobicContact CZ-CB 3.95Å; F272-Q282 HydrophobicContact CZ-CG 3.83Å; F272-I286 HydrophobicContact CZ-CD1 4.26Å; F272-T328 HydrophobicContact CE1-CG2 4.44Å |
| 273 | F | 93.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -33.7 | 177 | -70.4 | -69.1 | 0 | 0 | 0 | 113.2 | C269 S270 F276 P277 I313 T317 M321 E324 T328 | C269-F273 WeakPolarHBondContact O-CD2 3.48Å; C269-F273 PolarHBondContact O-N 2.91Å; C269-F273 VanDerWaalsContact O-N 3.13Å; S270-F273 PolarHBondContact O-N 3.49Å; F273-F276 CarbonylContact O-C 3.37Å; F273-P277 VanDerWaalsContact O-CA 3.28Å; F273-P277 WeakPolarHBondContact O-CA 3.47Å; F273-I313 HydrophobicContact CZ-CG2 4.17Å; F273-T317 HydrophobicContact CE2-CG2 3.91Å; F273-M321 HydrophobicContact CB-CE 4.15Å; F273-M321 HydrophobicContact CB-SD 3.84Å; F273-M321 HydrophobicContact CD2-CE 3.41Å; F273-M321 VanDerWaalsContact CD2-CE 3.41Å; F273-M321 HydrophobicContact CD2-SD 4.07Å; F273-M321 HydrophobicContact CE2-CE 4.1Å; F273-M321 HydrophobicContact CG-CE 4.01Å; F273-M321 HydrophobicContact CG-SD 4.04Å; F273-E324 HydrophobicContact CD1-CB 4.39Å; F273-E324 HydrophobicContact CE1-CB 4.26Å; F273-T328 WeakPolarHBondContact CE1-OG1 3.44Å |
| 274 | I | 93.1 | Very high | 94.4 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 55% | 0.549 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 175.4 | -69.9 | 164.1 | 0 | 0 | 0 | 111.2 | S270 R271 | S270-I274 WeakPolarHBondContact O-CD1 3.36Å; S270-I274 VanDerWaalsContact O-CG1 3.24Å; S270-I274 WeakPolarHBondContact O-CG1 3.38Å; S270-I274 PolarHBondContact O-N 3.48Å; R271-I274 PolarHBondContact O-N 3.05Å |
| 275 | D | 94.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.4 | -26.5 | -177.3 | -69.8 | -15.6 | 0 | 0 | 0 | 111.9 | R238 G239 R271 F272 | R238-D275 WeakPolarHBondContact CA-OD2 3.46Å; R238-D275 WeakPolarHBondContact CB-OD2 3.43Å; R238-D275 WeakPolarHBondContact CD-OD2 3.5Å; G239-D275 PolarHBondContact N-OD2 3.07Å; R271-D275 IonicContact CZ-OD1 3.22Å; R271-D275 IonicContact NE-OD1 3.03Å; R271-D275 PolarHBondContact NE-OD1 3.31Å; R271-D275 IonicContact NE-OD2 3.27Å; R271-D275 PolarHBondContact NE-OD2 3.13Å; R271-D275 IonicContact NH2-OD1 2.68Å; R271-D275 PolarHBondContact NH2-OD1 3.2Å; R271-D275 WeakPolarHBondContact O-CB 3.28Å; R271-D275 PolarHBondContact O-N 3.35Å; F272-D275 PolarHBondContact O-N 3.32Å |
| 276 | F | 94.5 | Very high | 94.5 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | trans | -133.4 | 77.1 | 179.5 | -45.8 | -57.8 | 0 | 0 | 0 | 110.9 | F272 F273 D278 E281 Q282 K285 | F272-F276 AromaticContact CD2-CD2 3.65Å; F272-F276 HydrophobicContact CD2-CD2 3.65Å; F272-F276 HydrophobicContact CD2-CE2 4.01Å; F272-F276 AromaticContact CE2-CD2 3.66Å; F272-F276 HydrophobicContact CE2-CD2 3.66Å; F272-F276 HydrophobicContact CE2-CE2 4.14Å; F272-F276 HydrophobicContact CG-CD2 4.3Å; F272-F276 HydrophobicContact CZ-CD2 4.34Å; F272-F276 WeakPolarHBondContact O-CB 3.4Å; F272-F276 PolarHBondContact O-N 2.95Å; F273-F276 CarbonylContact O-C 3.37Å; F276-D278 PolarHBondContact O-N 3.31Å; F276-E281 HydrophobicContact CB-CG 4.28Å; F276-E281 HydrophobicContact CD1-CG 3.91Å; F276-E281 HydrophobicContact CG-CG 4.45Å; F276-Q282 HydrophobicContact CB-CG 3.83Å; F276-Q282 VanDerWaalsContact O-CG 3.31Å; F276-Q282 WeakPolarHBondContact O-CG 3.44Å; F276-Q282 PolarHBondContact O-NE2 3.44Å; F276-K285 HydrophobicContact CD1-CD 4.38Å; F276-K285 HydrophobicContact CD1-CG 3.95Å; F276-K285 HydrophobicContact CE1-CD 3.84Å; F276-K285 VanDerWaalsContact CE1-CE 3.43Å; F276-K285 HydrophobicContact CE1-CG 3.86Å; F276-K285 HydrophobicContact CE2-CG 4.44Å; F276-K285 HydrophobicContact CG-CG 4.31Å; F276-K285 HydrophobicContact CZ-CD 4.07Å; F276-K285 HydrophobicContact CZ-CG 4.11Å | ||
| 277 | P | 91.6 | Very high | 94.6 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | trans | -68.8 | -33.6 | -174.9 | 26.6 | -34.2 | 0 | 0 | 0 | 112.9 | F273 | F273-P277 VanDerWaalsContact O-CA 3.28Å; F273-P277 WeakPolarHBondContact O-CA 3.47Å | ||
| 278 | D | 93.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 48.9 Ų | 48.9 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -87.9 | 133.3 | -176 | -62.5 | -52.5 | 0 | 0 | 0 | 112.5 | F276 S280 E281 Q282 | F276-D278 PolarHBondContact O-N 3.31Å; D278-S280 PolarHBondContact O-N 2.87Å; D278-E281 HydrophobicContact CB-CB 4.3Å; D278-E281 WeakPolarHBondContact O-CA 3.4Å; D278-E281 PolarHBondContact O-N 3.07Å; D278-Q282 WeakPolarHBondContact O-CG 3.4Å; D278-Q282 PolarHBondContact O-N 3.31Å |
| 279 | V | 95.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.8 | -34.8 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 112.4 | E281 Q282 Q283 Q327 M331 | V279-E281 VanDerWaalsContact C-N 3.32Å; V279-E281 PolarHBondContact O-N 3.47Å; V279-Q282 PolarHBondContact O-N 2.9Å; V279-Q283 WeakPolarHBondContact O-CB 3.24Å; V279-Q283 PolarHBondContact O-N 3.2Å; V279-Q327 HydrophobicContact CG2-CB 4.42Å; V279-M331 HydrophobicContact CG2-CB 3.91Å; V279-M331 HydrophobicContact CG2-CG 4.2Å; V279-M331 HydrophobicContact CG2-SD 4.3Å |
| 280 | S | 95.4 | Very high | 94.1 | Very high | 80 Ų | 80 | 50.9 Ų | 50.9 | 56% | 0.559 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.8 | -31.3 | 176.6 | -56 | 0 | 0 | 0 | 0 | 112.6 | D278 R284 | D278-S280 PolarHBondContact O-N 2.87Å; S280-R284 WeakPolarHBondContact O-CG 3.28Å; S280-R284 PolarHBondContact O-N 3.01Å; S280-R284 PolarHBondContact O-NE 2.81Å |
| 281 | E | 94.9 | Very high | 93.8 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.5 | -44.3 | 172.2 | -179.2 | 161.3 | -156.7 | 0 | 0 | 111.2 | F276 D278 V279 Q283 R284 K285 | F276-E281 HydrophobicContact CB-CG 4.28Å; F276-E281 HydrophobicContact CD1-CG 3.91Å; F276-E281 HydrophobicContact CG-CG 4.45Å; D278-E281 HydrophobicContact CB-CB 4.3Å; D278-E281 WeakPolarHBondContact O-CA 3.4Å; D278-E281 PolarHBondContact O-N 3.07Å; V279-E281 VanDerWaalsContact C-N 3.32Å; V279-E281 PolarHBondContact O-N 3.47Å; E281-Q283 VanDerWaalsContact C-N 3.29Å; E281-Q283 PolarHBondContact O-N 2.99Å; E281-R284 PolarHBondContact O-N 2.97Å; E281-K285 HydrophobicContact CG-CG 4.21Å; E281-K285 VanDerWaalsContact O-CG 3.28Å; E281-K285 WeakPolarHBondContact O-CG 3.36Å; E281-K285 PolarHBondContact O-N 3.47Å |
| 282 | Q | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.5 | -47 | 174.7 | -63.8 | 168.9 | 15.5 | 0 | 0 | 111 | F272 F276 D278 V279 R284 K285 I286 T328 | F272-Q282 HydrophobicContact CE1-CB 4.21Å; F272-Q282 HydrophobicContact CE1-CG 3.71Å; F272-Q282 HydrophobicContact CZ-CB 3.95Å; F272-Q282 HydrophobicContact CZ-CG 3.83Å; F276-Q282 HydrophobicContact CB-CG 3.83Å; F276-Q282 VanDerWaalsContact O-CG 3.31Å; F276-Q282 WeakPolarHBondContact O-CG 3.44Å; F276-Q282 PolarHBondContact O-NE2 3.44Å; D278-Q282 WeakPolarHBondContact O-CG 3.4Å; D278-Q282 PolarHBondContact O-N 3.31Å; V279-Q282 PolarHBondContact O-N 2.9Å; Q282-R284 PolarHBondContact O-N 3.3Å; Q282-K285 PolarHBondContact O-N 3.43Å; Q282-I286 WeakPolarHBondContact O-CG1 3.43Å; Q282-I286 PolarHBondContact O-N 2.94Å; Q282-T328 VanDerWaalsContact OE1-CG2 3.3Å; Q282-T328 PolarHBondContact OE1-OG1 3.34Å |
| 283 | Q | 96.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.2 | -53.6 | 175.9 | -173.7 | 174.8 | -19.5 | 0 | 0 | 111.4 | V279 E281 K285 I286 E287 M331 L335 | V279-Q283 WeakPolarHBondContact O-CB 3.24Å; V279-Q283 PolarHBondContact O-N 3.2Å; E281-Q283 VanDerWaalsContact C-N 3.29Å; E281-Q283 PolarHBondContact O-N 2.99Å; Q283-K285 VanDerWaalsContact C-N 3.25Å; Q283-K285 PolarHBondContact O-N 3.46Å; Q283-I286 PolarHBondContact O-N 3.37Å; Q283-E287 HydrophobicContact CG-CG 4.23Å; Q283-E287 PolarHBondContact NE2-OE1 2.87Å; Q283-E287 WeakPolarHBondContact O-CB 3.38Å; Q283-E287 WeakPolarHBondContact O-CG 3.09Å; Q283-E287 PolarHBondContact O-N 2.9Å; Q283-M331 WeakPolarHBondContact CA-SD 3.44Å; Q283-M331 HydrophobicContact CB-CG 4.14Å; Q283-M331 HydrophobicContact CB-SD 3.47Å; Q283-M331 WeakPolarHBondContact CB-SD 3.44Å; Q283-M331 HydrophobicContact CG-CG 4.29Å; Q283-M331 HydrophobicContact CG-SD 4.02Å; Q283-L335 HydrophobicContact CG-CD1 4.36Å; Q283-L335 HydrophobicContact CG-CD2 4.41Å |
| 284 | R | 95.8 | Very high | 92.4 | Very high | 144 Ų | 144 | 56.9 Ų | 56.9 | 54% | 0.543 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 179 | -77.3 | -176.2 | -62.1 | 121.3 | -0.5 | 112.3 | S280 E281 Q282 A288 | S280-R284 WeakPolarHBondContact O-CG 3.28Å; S280-R284 PolarHBondContact O-N 3.01Å; S280-R284 PolarHBondContact O-NE 2.81Å; E281-R284 PolarHBondContact O-N 2.97Å; Q282-R284 PolarHBondContact O-N 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.49Å; R284-A288 PolarHBondContact O-N 3.48Å |
| 285 | K | 94.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 179.4 | -67.5 | -69.7 | 176.6 | 172.1 | 0 | 111.6 | F276 E281 Q282 Q283 A288 Y289 | F276-K285 HydrophobicContact CD1-CD 4.38Å; F276-K285 HydrophobicContact CD1-CG 3.95Å; F276-K285 HydrophobicContact CE1-CD 3.84Å; F276-K285 VanDerWaalsContact CE1-CE 3.43Å; F276-K285 HydrophobicContact CE1-CG 3.86Å; F276-K285 HydrophobicContact CE2-CG 4.44Å; F276-K285 HydrophobicContact CG-CG 4.31Å; F276-K285 HydrophobicContact CZ-CD 4.07Å; F276-K285 HydrophobicContact CZ-CG 4.11Å; E281-K285 HydrophobicContact CG-CG 4.21Å; E281-K285 VanDerWaalsContact O-CG 3.28Å; E281-K285 WeakPolarHBondContact O-CG 3.36Å; E281-K285 PolarHBondContact O-N 3.47Å; Q282-K285 PolarHBondContact O-N 3.43Å; Q283-K285 VanDerWaalsContact C-N 3.25Å; Q283-K285 PolarHBondContact O-N 3.46Å; K285-A288 PolarHBondContact O-N 3.1Å; K285-Y289 WeakPolarHBondContact O-CB 3.4Å; K285-Y289 PolarHBondContact O-N 2.84Å |
| 286 | I | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 177.9 | -68 | 163.3 | 0 | 0 | 0 | 110.3 | L243 F272 Q282 Q283 A288 Y289 L290 L306 L309 M331 I332 L335 | L243-I286 HydrophobicContact CD2-CG1 3.89Å; F272-I286 HydrophobicContact CZ-CD1 4.26Å; Q282-I286 WeakPolarHBondContact O-CG1 3.43Å; Q282-I286 PolarHBondContact O-N 2.94Å; Q283-I286 PolarHBondContact O-N 3.37Å; I286-A288 PolarHBondContact O-N 3.46Å; I286-Y289 WeakPolarHBondContact O-CB 3.4Å; I286-Y289 PolarHBondContact O-N 3.23Å; I286-Y289 VanDerWaalsContact O-N 3.14Å; I286-L290 HydrophobicContact CG2-CD1 4.38Å; I286-L290 WeakPolarHBondContact O-CG 3.39Å; I286-L290 PolarHBondContact O-N 3.14Å; I286-L306 HydrophobicContact CG2-CD2 3.72Å; I286-L309 HydrophobicContact CD1-CD2 3.88Å; I286-L309 HydrophobicContact CG1-CD2 4.03Å; I286-L309 HydrophobicContact CG2-CD2 4.46Å; I286-M331 HydrophobicContact CD1-CE 3.7Å; I286-I332 HydrophobicContact CD1-CG1 4.3Å; I286-L335 HydrophobicContact CG2-CD1 4.02Å |
| 287 | E | 94.3 | Very high | 90 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.4 | -73.3 | 176.8 | 168.2 | 0 | 0 | 111.8 | Q283 Y289 L290 Q291 L335 | Q283-E287 HydrophobicContact CG-CG 4.23Å; Q283-E287 PolarHBondContact NE2-OE1 2.87Å; Q283-E287 WeakPolarHBondContact O-CB 3.38Å; Q283-E287 WeakPolarHBondContact O-CG 3.09Å; Q283-E287 PolarHBondContact O-N 2.9Å; E287-Y289 VanDerWaalsContact C-N 3.31Å; E287-Y289 PolarHBondContact O-N 3.41Å; E287-L290 PolarHBondContact O-N 3.44Å; E287-Q291 WeakPolarHBondContact O-CB 3.34Å; E287-Q291 VanDerWaalsContact O-CG 3.26Å; E287-Q291 WeakPolarHBondContact O-CG 3.17Å; E287-Q291 PolarHBondContact O-N 3.48Å; E287-L335 HydrophobicContact CG-CD1 4.47Å; E287-L335 HydrophobicContact CG-CD2 4.03Å; E287-L335 WeakPolarHBondContact OE1-CD2 3.37Å |
| 288 | A | 90.4 | Very high | 89.5 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R284 K285 I286 Q291 C292 | R284-A288 WeakPolarHBondContact O-CB 3.49Å; R284-A288 PolarHBondContact O-N 3.48Å; K285-A288 PolarHBondContact O-N 3.1Å; I286-A288 PolarHBondContact O-N 3.46Å; A288-Q291 PolarHBondContact O-N 2.84Å; A288-C292 WeakPolarHBondContact O-CB 3.38Å; A288-C292 PolarHBondContact O-N 2.99Å; A288-C292 VanDerWaalsContact O-N 3.12Å; A288-C292 PolarHBondContact O-SG 3.45Å |
| 289 | Y | 91.3 | Very high | 89 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.2 | -167.6 | -87.9 | 0 | 0 | 0 | 111.4 | L243 D247 K285 I286 E287 Q291 C292 H293 F294 Y305 | L243-Y289 HydrophobicContact CB-CD2 3.91Å; L243-Y289 HydrophobicContact CB-CE2 3.97Å; L243-Y289 HydrophobicContact CB-CG 4.2Å; L243-Y289 HydrophobicContact CD1-CD2 4.09Å; L243-Y289 HydrophobicContact CD1-CG 4.23Å; D247-Y289 HydrophobicContact CB-CE1 4.08Å; D247-Y289 VanDerWaalsContact CB-OH 3.27Å; D247-Y289 WeakPolarHBondContact CB-OH 3.32Å; D247-Y289 PolarHBondContact OD2-OH 3.16Å; K285-Y289 WeakPolarHBondContact O-CB 3.4Å; K285-Y289 PolarHBondContact O-N 2.84Å; I286-Y289 WeakPolarHBondContact O-CB 3.4Å; I286-Y289 PolarHBondContact O-N 3.23Å; I286-Y289 VanDerWaalsContact O-N 3.14Å; E287-Y289 VanDerWaalsContact C-N 3.31Å; E287-Y289 PolarHBondContact O-N 3.41Å; Y289-Q291 VanDerWaalsContact C-N 3.34Å; Y289-Q291 PolarHBondContact O-N 3.43Å; Y289-C292 PolarHBondContact O-N 3.19Å; Y289-H293 AromaticContact CD1-ND1 3.78Å; Y289-H293 AromaticContact CD2-CE1 3.47Å; Y289-H293 VanDerWaalsContact CD2-CE1 3.47Å; Y289-H293 WeakPolarHBondContact CD2-CE1 3.48Å; Y289-H293 AromaticContact CD2-ND1 3.61Å; Y289-H293 HydrophobicContact CE1-CB 4.17Å; Y289-H293 AromaticContact CE1-CG 3.86Å; Y289-H293 AromaticContact CE1-ND1 3.74Å; Y289-H293 AromaticContact CE2-CE1 3.24Å; Y289-H293 WeakPolarHBondContact CE2-CE1 3.35Å; Y289-H293 AromaticContact CE2-ND1 3.56Å; Y289-H293 AromaticContact CE2-NE2 3.68Å; Y289-H293 AromaticContact CG-ND1 3.7Å; Y289-H293 AromaticContact CZ-CD2 3.92Å; Y289-H293 AromaticContact CZ-CE1 3.65Å; Y289-H293 AromaticContact CZ-CG 3.8Å; Y289-H293 AromaticContact CZ-ND1 3.62Å; Y289-H293 AromaticContact CZ-NE2 3.83Å; Y289-H293 PolarHBondContact O-N 2.92Å; Y289-H293 PolarHBondContact O-ND1 3.33Å; Y289-F294 HydrophobicContact CD1-CE2 4.25Å; Y289-F294 HydrophobicContact CE1-CE2 4.04Å; Y289-Y305 HydrophobicContact CD1-CE1 4.18Å; Y289-Y305 HydrophobicContact CD1-CE2 4.27Å; Y289-Y305 AromaticContact CD1-CZ 3.67Å; Y289-Y305 VanDerWaalsContact CD1-OH 3.28Å; Y289-Y305 WeakPolarHBondContact CD1-OH 3.35Å; Y289-Y305 AromaticContact CE1-CE2 3.85Å; Y289-Y305 HydrophobicContact CE1-CE2 3.85Å; Y289-Y305 AromaticContact CE1-CZ 3.72Å; Y289-Y305 WeakPolarHBondContact CE1-OH 3.44Å |
| 290 | L | 91.4 | Very high | 88.5 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 175.9 | -71.1 | 178.5 | 0 | 0 | 0 | 112.4 | I286 E287 C292 F294 K302 Y305 L306 | I286-L290 HydrophobicContact CG2-CD1 4.38Å; I286-L290 WeakPolarHBondContact O-CG 3.39Å; I286-L290 PolarHBondContact O-N 3.14Å; E287-L290 PolarHBondContact O-N 3.44Å; L290-C292 VanDerWaalsContact C-N 3.28Å; L290-C292 PolarHBondContact O-N 2.95Å; L290-F294 HydrophobicContact CD2-CD2 3.73Å; L290-F294 HydrophobicContact CD2-CE2 4.09Å; L290-F294 HydrophobicContact CD2-CG 4.34Å; L290-F294 PolarHBondContact O-N 3.01Å; L290-F294 VanDerWaalsContact O-N 3.07Å; L290-K302 HydrophobicContact CD2-CB 4.36Å; L290-K302 HydrophobicContact CD2-CG 4.2Å; L290-Y305 HydrophobicContact CD2-CD1 3.51Å; L290-Y305 HydrophobicContact CD2-CE1 3.93Å; L290-Y305 HydrophobicContact CD2-CG 4.36Å; L290-L306 HydrophobicContact CD1-CD1 4.07Å; L290-L306 HydrophobicContact CD1-CD2 4.1Å; L290-L306 HydrophobicContact CD1-CG 4.24Å |
| 291 | Q | 86 | Confident | 88.3 | Confident | 123 Ų | 123 | 52.5 Ų | 52.5 | 58% | 0.575 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.3 | -27.4 | 179.5 | -72.8 | 173.8 | 10.4 | 0 | 0 | 113.3 | E287 A288 Y289 I295 | E287-Q291 WeakPolarHBondContact O-CB 3.34Å; E287-Q291 VanDerWaalsContact O-CG 3.26Å; E287-Q291 WeakPolarHBondContact O-CG 3.17Å; E287-Q291 PolarHBondContact O-N 3.48Å; A288-Q291 PolarHBondContact O-N 2.84Å; Y289-Q291 VanDerWaalsContact C-N 3.34Å; Y289-Q291 PolarHBondContact O-N 3.43Å; Q291-I295 WeakPolarHBondContact O-CD1 3.43Å; Q291-I295 WeakPolarHBondContact O-CG1 3.48Å |
| 292 | C | 82.8 | Confident | 88.2 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -87.5 | -40.2 | 179.9 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | A288 Y289 L290 I295 | A288-C292 WeakPolarHBondContact O-CB 3.38Å; A288-C292 PolarHBondContact O-N 2.99Å; A288-C292 VanDerWaalsContact O-N 3.12Å; A288-C292 PolarHBondContact O-SG 3.45Å; Y289-C292 PolarHBondContact O-N 3.19Å; L290-C292 VanDerWaalsContact C-N 3.28Å; L290-C292 PolarHBondContact O-N 2.95Å; C292-I295 VanDerWaalsContact O-CD1 3.26Å; C292-I295 WeakPolarHBondContact O-CD1 3.35Å |
| 293 | H | 85.1 | Confident | 88.1 | Confident | 53 Ų | 53 | 55 Ų | 55 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -99.9 | -35.5 | -169.8 | -60.2 | 80.3 | 0 | 0 | 0 | 112.9 | Y289 I295 E298 | Y289-H293 AromaticContact CD1-ND1 3.78Å; Y289-H293 AromaticContact CD2-CE1 3.47Å; Y289-H293 VanDerWaalsContact CD2-CE1 3.47Å; Y289-H293 WeakPolarHBondContact CD2-CE1 3.48Å; Y289-H293 AromaticContact CD2-ND1 3.61Å; Y289-H293 HydrophobicContact CE1-CB 4.17Å; Y289-H293 AromaticContact CE1-CG 3.86Å; Y289-H293 AromaticContact CE1-ND1 3.74Å; Y289-H293 AromaticContact CE2-CE1 3.24Å; Y289-H293 WeakPolarHBondContact CE2-CE1 3.35Å; Y289-H293 AromaticContact CE2-ND1 3.56Å; Y289-H293 AromaticContact CE2-NE2 3.68Å; Y289-H293 AromaticContact CG-ND1 3.7Å; Y289-H293 AromaticContact CZ-CD2 3.92Å; Y289-H293 AromaticContact CZ-CE1 3.65Å; Y289-H293 AromaticContact CZ-CG 3.8Å; Y289-H293 AromaticContact CZ-ND1 3.62Å; Y289-H293 AromaticContact CZ-NE2 3.83Å; Y289-H293 PolarHBondContact O-N 2.92Å; Y289-H293 PolarHBondContact O-ND1 3.33Å; H293-I295 PolarHBondContact O-N 2.66Å; H293-E298 VanDerWaalsContact O-OE2 3.11Å |
| 294 | F | 86.1 | Confident | 88 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -103.3 | 81 | -172.8 | -64.3 | -92.2 | 0 | 0 | 0 | 111 | D247 Y289 L290 E298 K302 Y305 | D247-F294 WeakPolarHBondContact OD1-CZ 3.41Å; Y289-F294 HydrophobicContact CD1-CE2 4.25Å; Y289-F294 HydrophobicContact CE1-CE2 4.04Å; L290-F294 HydrophobicContact CD2-CD2 3.73Å; L290-F294 HydrophobicContact CD2-CE2 4.09Å; L290-F294 HydrophobicContact CD2-CG 4.34Å; L290-F294 PolarHBondContact O-N 3.01Å; L290-F294 VanDerWaalsContact O-N 3.07Å; F294-E298 HydrophobicContact CD1-CB 4.45Å; F294-K302 HydrophobicContact CB-CD 4.3Å; F294-K302 HydrophobicContact CB-CG 3.48Å; F294-K302 VanDerWaalsContact CB-CG 3.48Å; F294-K302 HydrophobicContact CD1-CG 4.43Å; F294-K302 HydrophobicContact CG-CG 4.02Å; F294-K302 WeakPolarHBondContact O-CE 3.49Å; F294-Y305 HydrophobicContact CE1-CD2 4.48Å; F294-Y305 HydrophobicContact CE1-CG 4.33Å; F294-Y305 HydrophobicContact CE2-CD1 4.09Å; F294-Y305 AromaticContact CE2-CD2 3.73Å; F294-Y305 HydrophobicContact CE2-CD2 3.73Å; F294-Y305 HydrophobicContact CE2-CE1 4.45Å; F294-Y305 HydrophobicContact CE2-CE2 4.11Å; F294-Y305 AromaticContact CE2-CG 3.69Å; F294-Y305 HydrophobicContact CE2-CG 3.69Å; F294-Y305 HydrophobicContact CZ-CD1 4.32Å; F294-Y305 AromaticContact CZ-CD2 3.4Å; F294-Y305 HydrophobicContact CZ-CD2 3.4Å; F294-Y305 HydrophobicContact CZ-CE2 4.15Å; F294-Y305 AromaticContact CZ-CG 3.48Å; F294-Y305 HydrophobicContact CZ-CG 3.48Å; F294-Y305 VanDerWaalsContact CZ-CG 3.48Å |
| 295 | I | 79.3 | Confident | 88.1 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -125.2 | 148.5 | -178.4 | -52.5 | 145.8 | 0 | 0 | 0 | 111.5 | R85 R157 Q291 C292 H293 S297 E298 | R85-I295 PolarHBondContact NH1-O 2.88Å; R157-I295 HydrophobicContact CB-CB 4.35Å; R157-I295 HydrophobicContact CB-CD1 3.74Å; R157-I295 HydrophobicContact CB-CG1 3.97Å; R157-I295 HydrophobicContact CB-CG2 3.57Å; R157-I295 WeakPolarHBondContact O-CD1 3.22Å; R157-I295 WeakPolarHBondContact O-CG2 2.97Å; Q291-I295 WeakPolarHBondContact O-CD1 3.43Å; Q291-I295 WeakPolarHBondContact O-CG1 3.48Å; C292-I295 VanDerWaalsContact O-CD1 3.26Å; C292-I295 WeakPolarHBondContact O-CD1 3.35Å; H293-I295 PolarHBondContact O-N 2.66Å; I295-S297 PolarHBondContact O-N 3.24Å; I295-E298 PolarHBondContact O-N 3.29Å | ||
| 296 | G | 80 | Confident | 88.2 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | 69.8 | -122.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E298 E299 | G296-E298 PolarHBondContact O-N 2.74Å; G296-E299 WeakPolarHBondContact O-CB 3.39Å; G296-E299 WeakPolarHBondContact O-CG 3.49Å; G296-E299 PolarHBondContact O-N 3.47Å; G296-E299 VanDerWaalsContact O-N 3.12Å |
| 297 | S | 72.9 | Confident | 88.2 | Confident | 108 Ų | 108 | 48 Ų | 48 | 76% | 0.755 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -61.1 | -25.3 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | I295 E299 | I295-S297 PolarHBondContact O-N 3.24Å; S297-E299 VanDerWaalsContact C-N 3.29Å; S297-E299 PolarHBondContact O-N 3.33Å |
| 298 | E | 80.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -82.3 | -3.8 | 179.2 | -75.9 | -180 | -151 | 0 | 0 | 113 | R85 R251 H293 F294 I295 G296 A300 S301 | R85-E298 IonicContact CZ-OE1 2.76Å; R85-E298 IonicContact CZ-OE2 3.73Å; R85-E298 IonicContact NE-OE1 3.81Å; R85-E298 PolarHBondContact NE-OE1 3.1Å; R85-E298 IonicContact NE-OE2 2.98Å; R85-E298 IonicContact NH2-OE1 3.08Å; R85-E298 PolarHBondContact NH2-OE1 3.4Å; R85-E298 IonicContact NH2-OE2 3.69Å; R251-E298 IonicContact CZ-OE1 3.1Å; R251-E298 IonicContact CZ-OE2 2.81Å; R251-E298 IonicContact NH1-OE1 2.69Å; R251-E298 PolarHBondContact NH1-OE1 2.77Å; R251-E298 IonicContact NH1-OE2 2.61Å; R251-E298 IonicContact NH2-OE1 3.5Å; R251-E298 IonicContact NH2-OE2 2.83Å; R251-E298 PolarHBondContact NH2-OE2 2.85Å; H293-E298 VanDerWaalsContact O-OE2 3.11Å; F294-E298 HydrophobicContact CD1-CB 4.45Å; I295-E298 PolarHBondContact O-N 3.29Å; G296-E298 PolarHBondContact O-N 2.74Å; E298-A300 PolarHBondContact O-N 2.74Å; E298-S301 PolarHBondContact O-N 2.67Å; E298-S301 VanDerWaalsContact O-N 3.08Å |
| 299 | E | 82.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.1 | -30.3 | 177.2 | -70 | -155.8 | 130.6 | 0 | 0 | 112.6 | G296 S297 S301 K302 Q343 | G296-E299 WeakPolarHBondContact O-CB 3.39Å; G296-E299 WeakPolarHBondContact O-CG 3.49Å; G296-E299 PolarHBondContact O-N 3.47Å; G296-E299 VanDerWaalsContact O-N 3.12Å; S297-E299 VanDerWaalsContact C-N 3.29Å; S297-E299 PolarHBondContact O-N 3.33Å; E299-S301 VanDerWaalsContact C-N 3.26Å; E299-S301 PolarHBondContact O-N 3.21Å; E299-K302 WeakPolarHBondContact O-CB 3.4Å; E299-K302 VanDerWaalsContact O-CG 3.32Å; E299-K302 WeakPolarHBondContact O-CG 3.44Å; E299-K302 PolarHBondContact O-N 3.32Å; E299-K302 IonicContact OE1-NZ 3.51Å; E299-K302 PolarHBondContact OE1-NZ 3.06Å; E299-Q343 PolarHBondContact O-NE2 2.93Å |
| 300 | A | 85.5 | Confident | 89.1 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -59.4 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E298 K302 Q343 | E298-A300 PolarHBondContact O-N 2.74Å; A300-K302 VanDerWaalsContact C-N 3.27Å; A300-K302 PolarHBondContact O-N 3Å; A300-Q343 PolarHBondContact O-NE2 2.87Å |
| 301 | S | 90.8 | Very high | 89.3 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -78.6 | -3.7 | -177 | -55.2 | 0 | 0 | 0 | 0 | 114.2 | E298 E299 Y303 D304 Y305 | E298-S301 PolarHBondContact O-N 2.67Å; E298-S301 VanDerWaalsContact O-N 3.08Å; E299-S301 VanDerWaalsContact C-N 3.26Å; E299-S301 PolarHBondContact O-N 3.21Å; S301-Y303 VanDerWaalsContact C-N 3.26Å; S301-Y303 PolarHBondContact O-N 3.18Å; S301-D304 PolarHBondContact O-N 3.12Å; S301-Y305 WeakPolarHBondContact O-CB 3.42Å; S301-Y305 PolarHBondContact O-N 3.45Å |
| 302 | K | 93.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.5 | -40.7 | 177 | -73.4 | 179.8 | -179.1 | 165.2 | 0 | 112 | L290 F294 E299 A300 L306 V339 | L290-K302 HydrophobicContact CD2-CB 4.36Å; L290-K302 HydrophobicContact CD2-CG 4.2Å; F294-K302 HydrophobicContact CB-CD 4.3Å; F294-K302 HydrophobicContact CB-CG 3.48Å; F294-K302 VanDerWaalsContact CB-CG 3.48Å; F294-K302 HydrophobicContact CD1-CG 4.43Å; F294-K302 HydrophobicContact CG-CG 4.02Å; F294-K302 WeakPolarHBondContact O-CE 3.49Å; E299-K302 WeakPolarHBondContact O-CB 3.4Å; E299-K302 VanDerWaalsContact O-CG 3.32Å; E299-K302 WeakPolarHBondContact O-CG 3.44Å; E299-K302 PolarHBondContact O-N 3.32Å; E299-K302 IonicContact OE1-NZ 3.51Å; E299-K302 PolarHBondContact OE1-NZ 3.06Å; A300-K302 VanDerWaalsContact C-N 3.27Å; A300-K302 PolarHBondContact O-N 3Å; K302-L306 WeakPolarHBondContact O-CG 3.46Å; K302-L306 PolarHBondContact O-N 3.18Å; K302-V339 HydrophobicContact CB-CG1 3.66Å; K302-V339 HydrophobicContact CB-CG2 4.29Å |
| 303 | Y | 94.2 | Very high | 90.4 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66 | -50.3 | 178.6 | 176.7 | -98.9 | 0 | 0 | 0 | 111.1 | S301 Y305 L306 M307 A336 L340 | S301-Y303 VanDerWaalsContact C-N 3.26Å; S301-Y303 PolarHBondContact O-N 3.18Å; Y303-Y305 PolarHBondContact O-N 3.1Å; Y303-L306 PolarHBondContact O-N 3.22Å; Y303-L306 VanDerWaalsContact O-N 3.1Å; Y303-M307 HydrophobicContact CD1-CG 4.16Å; Y303-M307 HydrophobicContact CD2-CG 4.3Å; Y303-M307 HydrophobicContact CE1-CG 3.67Å; Y303-M307 HydrophobicContact CE2-CG 3.82Å; Y303-M307 HydrophobicContact CE2-SD 4.16Å; Y303-M307 HydrophobicContact CG-CG 4.46Å; Y303-M307 VanDerWaalsContact CZ-CG 3.49Å; Y303-M307 WeakPolarHBondContact O-CG 3.34Å; Y303-M307 PolarHBondContact O-N 3.25Å; Y303-A336 HydrophobicContact CD2-CB 3.97Å; Y303-A336 HydrophobicContact CE2-CB 3.99Å; Y303-L340 HydrophobicContact CD1-CD2 4.47Å; Y303-L340 HydrophobicContact CD2-CD1 3.81Å; Y303-L340 HydrophobicContact CD2-CD2 3.73Å; Y303-L340 HydrophobicContact CD2-CG 3.53Å; Y303-L340 HydrophobicContact CE2-CD1 3.44Å; Y303-L340 VanDerWaalsContact CE2-CD1 3.44Å; Y303-L340 HydrophobicContact CE2-CD2 4.09Å; Y303-L340 HydrophobicContact CE2-CG 3.75Å; Y303-L340 HydrophobicContact CG-CD2 3.93Å; Y303-L340 HydrophobicContact CG-CG 4.24Å |
| 304 | D | 94.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -38 | 179.1 | -61.4 | -34.8 | 0 | 0 | 0 | 111.7 | V250 S301 T308 | V250-D304 HydrophobicContact CG1-CB 4.33Å; S301-D304 PolarHBondContact O-N 3.12Å; D304-T308 VanDerWaalsContact O-CB 3.25Å; D304-T308 WeakPolarHBondContact O-CB 2.87Å; D304-T308 PolarHBondContact O-N 3.34Å; D304-T308 PolarHBondContact O-OG1 2.91Å |
| 305 | Y | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 172.7 | 175.2 | -94 | 0 | 0 | 0 | 113.2 | L243 D247 V250 Y289 L290 F294 S301 Y303 M307 T308 L309 | L243-Y305 VanDerWaalsContact CA-OH 3.28Å; L243-Y305 WeakPolarHBondContact CA-OH 3.43Å; L243-Y305 WeakPolarHBondContact CB-OH 3.36Å; L243-Y305 WeakPolarHBondContact O-CE2 3.39Å; L243-Y305 PolarHBondContact O-OH 3.37Å; D247-Y305 HydrophobicContact CB-CD2 4.27Å; D247-Y305 HydrophobicContact CB-CE2 3.9Å; V250-Y305 VanDerWaalsContact CG2-CA 3.47Å; V250-Y305 HydrophobicContact CG2-CD2 4.25Å; Y289-Y305 HydrophobicContact CD1-CE1 4.18Å; Y289-Y305 HydrophobicContact CD1-CE2 4.27Å; Y289-Y305 AromaticContact CD1-CZ 3.67Å; Y289-Y305 VanDerWaalsContact CD1-OH 3.28Å; Y289-Y305 WeakPolarHBondContact CD1-OH 3.35Å; Y289-Y305 AromaticContact CE1-CE2 3.85Å; Y289-Y305 HydrophobicContact CE1-CE2 3.85Å; Y289-Y305 AromaticContact CE1-CZ 3.72Å; Y289-Y305 WeakPolarHBondContact CE1-OH 3.44Å; L290-Y305 HydrophobicContact CD2-CD1 3.51Å; L290-Y305 HydrophobicContact CD2-CE1 3.93Å; L290-Y305 HydrophobicContact CD2-CG 4.36Å; F294-Y305 HydrophobicContact CE1-CD2 4.48Å; F294-Y305 HydrophobicContact CE1-CG 4.33Å; F294-Y305 HydrophobicContact CE2-CD1 4.09Å; F294-Y305 AromaticContact CE2-CD2 3.73Å; F294-Y305 HydrophobicContact CE2-CD2 3.73Å; F294-Y305 HydrophobicContact CE2-CE1 4.45Å; F294-Y305 HydrophobicContact CE2-CE2 4.11Å; F294-Y305 AromaticContact CE2-CG 3.69Å; F294-Y305 HydrophobicContact CE2-CG 3.69Å; F294-Y305 HydrophobicContact CZ-CD1 4.32Å; F294-Y305 AromaticContact CZ-CD2 3.4Å; F294-Y305 HydrophobicContact CZ-CD2 3.4Å; F294-Y305 HydrophobicContact CZ-CE2 4.15Å; F294-Y305 AromaticContact CZ-CG 3.48Å; F294-Y305 HydrophobicContact CZ-CG 3.48Å; F294-Y305 VanDerWaalsContact CZ-CG 3.48Å; S301-Y305 WeakPolarHBondContact O-CB 3.42Å; S301-Y305 PolarHBondContact O-N 3.45Å; Y303-Y305 PolarHBondContact O-N 3.1Å; Y305-M307 VanDerWaalsContact C-N 3.29Å; Y305-M307 PolarHBondContact O-N 3.27Å; Y305-T308 PolarHBondContact O-N 3Å; Y305-L309 HydrophobicContact CE1-CD2 4.3Å; Y305-L309 WeakPolarHBondContact O-CB 3.46Å; Y305-L309 PolarHBondContact O-N 3.41Å |
| 306 | L | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 178.9 | -73.1 | 169.7 | 0 | 0 | 0 | 111.3 | I286 L290 K302 Y303 L309 R310 I332 L335 A336 V339 | I286-L306 HydrophobicContact CG2-CD2 3.72Å; L290-L306 HydrophobicContact CD1-CD1 4.07Å; L290-L306 HydrophobicContact CD1-CD2 4.1Å; L290-L306 HydrophobicContact CD1-CG 4.24Å; K302-L306 WeakPolarHBondContact O-CG 3.46Å; K302-L306 PolarHBondContact O-N 3.18Å; Y303-L306 PolarHBondContact O-N 3.22Å; Y303-L306 VanDerWaalsContact O-N 3.1Å; L306-L309 PolarHBondContact O-N 3.19Å; L306-R310 VanDerWaalsContact O-CB 3.28Å; L306-R310 WeakPolarHBondContact O-CB 3.43Å; L306-R310 PolarHBondContact O-N 3.06Å; L306-I332 HydrophobicContact CB-CG2 4.07Å; L306-I332 HydrophobicContact CD2-CG2 4.11Å; L306-I332 VanDerWaalsContact O-CG2 3.24Å; L306-I332 WeakPolarHBondContact O-CG2 3.45Å; L306-L335 HydrophobicContact CD1-CB 4.02Å; L306-L335 HydrophobicContact CD2-CB 4.35Å; L306-A336 HydrophobicContact CB-CB 4.06Å; L306-A336 HydrophobicContact CD1-CB 4.11Å; L306-V339 HydrophobicContact CD1-CG2 3.94Å |
| 307 | M | 97.2 | Very high | 92.3 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.4 | -37.1 | 176.6 | -68.3 | -53.8 | -64.3 | 0 | 0 | 112.4 | Y303 Y305 R310 R311 A336 | Y303-M307 HydrophobicContact CD1-CG 4.16Å; Y303-M307 HydrophobicContact CD2-CG 4.3Å; Y303-M307 HydrophobicContact CE1-CG 3.67Å; Y303-M307 HydrophobicContact CE2-CG 3.82Å; Y303-M307 HydrophobicContact CE2-SD 4.16Å; Y303-M307 HydrophobicContact CG-CG 4.46Å; Y303-M307 VanDerWaalsContact CZ-CG 3.49Å; Y303-M307 WeakPolarHBondContact O-CG 3.34Å; Y303-M307 PolarHBondContact O-N 3.25Å; Y305-M307 VanDerWaalsContact C-N 3.29Å; Y305-M307 PolarHBondContact O-N 3.27Å; M307-R310 PolarHBondContact O-N 3.32Å; M307-R311 WeakPolarHBondContact O-CB 3.42Å; M307-R311 PolarHBondContact O-N 3.44Å; M307-A336 HydrophobicContact SD-CB 4.39Å |
| 308 | T | 97.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 174 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | L249 V250 D304 Y305 R310 R311 V312 | L249-T308 HydrophobicContact CB-CG2 3.79Å; L249-T308 HydrophobicContact CD1-CG2 3.73Å; L249-T308 HydrophobicContact CG-CG2 4.45Å; V250-T308 HydrophobicContact CG2-CG2 4.38Å; D304-T308 VanDerWaalsContact O-CB 3.25Å; D304-T308 WeakPolarHBondContact O-CB 2.87Å; D304-T308 PolarHBondContact O-N 3.34Å; D304-T308 PolarHBondContact O-OG1 2.91Å; Y305-T308 PolarHBondContact O-N 3Å; T308-R310 VanDerWaalsContact C-N 3.33Å; T308-R310 PolarHBondContact O-N 3.26Å; T308-R311 WeakPolarHBondContact O-CB 3.3Å; T308-R311 PolarHBondContact O-N 3.49Å; T308-V312 WeakPolarHBondContact O-CG2 3.47Å; T308-V312 PolarHBondContact O-N 2.98Å |
| 309 | L | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 176 | 179.1 | 63.2 | 0 | 0 | 0 | 111.2 | L242 L243 S246 I286 Y305 L306 R311 V312 I313 I332 | L242-L309 HydrophobicContact CD1-CD1 4.47Å; L242-L309 HydrophobicContact CD2-CD1 4.01Å; L242-L309 HydrophobicContact CG-CD1 3.83Å; L243-L309 HydrophobicContact CD2-CD1 4.13Å; L243-L309 HydrophobicContact CD2-CD2 3.85Å; S246-L309 WeakPolarHBondContact OG-CD1 3.43Å; I286-L309 HydrophobicContact CD1-CD2 3.88Å; I286-L309 HydrophobicContact CG1-CD2 4.03Å; I286-L309 HydrophobicContact CG2-CD2 4.46Å; Y305-L309 HydrophobicContact CE1-CD2 4.3Å; Y305-L309 WeakPolarHBondContact O-CB 3.46Å; Y305-L309 PolarHBondContact O-N 3.41Å; L306-L309 PolarHBondContact O-N 3.19Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 2.94Å; L309-V312 PolarHBondContact O-N 2.99Å; L309-I313 HydrophobicContact CD1-CD1 3.9Å; L309-I313 HydrophobicContact CD1-CG1 4.39Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.26Å; L309-I332 HydrophobicContact CD2-CD1 4.03Å; L309-I332 HydrophobicContact CG-CD1 3.95Å |
| 310 | R | 97.4 | Very high | 91.1 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 175.1 | -170 | -170.3 | 176.5 | -66.7 | -1.4 | 110.8 | L306 M307 T308 I313 D314 L329 I332 T333 | L306-R310 VanDerWaalsContact O-CB 3.28Å; L306-R310 WeakPolarHBondContact O-CB 3.43Å; L306-R310 PolarHBondContact O-N 3.06Å; M307-R310 PolarHBondContact O-N 3.32Å; T308-R310 VanDerWaalsContact C-N 3.33Å; T308-R310 PolarHBondContact O-N 3.26Å; R310-I313 PolarHBondContact O-N 3.47Å; R310-D314 IonicContact NH1-OD2 2.68Å; R310-D314 PolarHBondContact NH1-OD2 3Å; R310-D314 WeakPolarHBondContact O-CB 3.49Å; R310-D314 PolarHBondContact O-N 2.87Å; R310-L329 HydrophobicContact CB-CD2 4.43Å; R310-L329 HydrophobicContact CG-CD2 3.51Å; R310-L329 VanDerWaalsContact O-CD2 3.3Å; R310-L329 WeakPolarHBondContact O-CD2 3.47Å; R310-I332 HydrophobicContact CB-CG2 3.85Å; R310-I332 HydrophobicContact CG-CG2 4.42Å; R310-T333 PolarHBondContact NE-OG1 3.26Å |
| 311 | R | 96.9 | Very high | 90.5 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | -179.3 | -175.8 | -173.3 | 63.9 | 71.5 | 3.3 | 111.7 | M307 T308 L309 I313 D314 E315 | M307-R311 WeakPolarHBondContact O-CB 3.42Å; M307-R311 PolarHBondContact O-N 3.44Å; T308-R311 WeakPolarHBondContact O-CB 3.3Å; T308-R311 PolarHBondContact O-N 3.49Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 2.94Å; R311-I313 VanDerWaalsContact C-N 3.34Å; R311-I313 PolarHBondContact O-N 3.48Å; R311-D314 PolarHBondContact O-N 3.3Å; R311-E315 WeakPolarHBondContact CD-OE1 3.31Å; R311-E315 HydrophobicContact CG-CG 4.43Å; R311-E315 WeakPolarHBondContact CG-OE1 3.28Å; R311-E315 IonicContact CZ-OE1 2.99Å; R311-E315 IonicContact NH1-OE1 3.34Å; R311-E315 PolarHBondContact NH1-OE1 3.39Å; R311-E315 IonicContact NH1-OE2 3.6Å; R311-E315 PolarHBondContact NH1-OE2 3.21Å; R311-E315 WeakPolarHBondContact O-CB 3.36Å; R311-E315 WeakPolarHBondContact O-CG 3.36Å; R311-E315 PolarHBondContact O-N 2.85Å |
| 312 | V | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.1 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L242 Y245 L249 E265 T308 L309 S316 | L242-V312 HydrophobicContact CD1-CG1 3.72Å; Y245-V312 HydrophobicContact CD1-CG1 4.3Å; Y245-V312 HydrophobicContact CD1-CG2 4.47Å; Y245-V312 HydrophobicContact CE1-CG1 4.05Å; Y245-V312 HydrophobicContact CE1-CG2 3.96Å; L249-V312 HydrophobicContact CD1-CG2 3.99Å; E265-V312 HydrophobicContact CB-CG1 4.35Å; E265-V312 HydrophobicContact CG-CG1 4.06Å; T308-V312 WeakPolarHBondContact O-CG2 3.47Å; T308-V312 PolarHBondContact O-N 2.98Å; L309-V312 PolarHBondContact O-N 2.99Å; V312-S316 VanDerWaalsContact O-CB 3.31Å; V312-S316 WeakPolarHBondContact O-CB 3.43Å; V312-S316 PolarHBondContact O-N 3.43Å |
| 313 | I | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.1 | -69.7 | 169.6 | 0 | 0 | 0 | 111.4 | L242 F273 L309 R310 R311 T317 R325 T328 L329 I332 | L242-I313 HydrophobicContact CD2-CD1 4.13Å; L242-I313 HydrophobicContact CD2-CG1 3.92Å; F273-I313 HydrophobicContact CZ-CG2 4.17Å; L309-I313 HydrophobicContact CD1-CD1 3.9Å; L309-I313 HydrophobicContact CD1-CG1 4.39Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.26Å; R310-I313 PolarHBondContact O-N 3.47Å; R311-I313 VanDerWaalsContact C-N 3.34Å; R311-I313 PolarHBondContact O-N 3.48Å; I313-T317 WeakPolarHBondContact O-CB 3.33Å; I313-T317 PolarHBondContact O-N 3.16Å; I313-T317 PolarHBondContact O-OG1 2.85Å; I313-R325 HydrophobicContact CG2-CG 4.33Å; I313-T328 HydrophobicContact CD1-CG2 4.05Å; I313-L329 HydrophobicContact CB-CD2 4.19Å; I313-L329 HydrophobicContact CG2-CD2 3.93Å; I313-L329 HydrophobicContact CG2-CG 4.32Å; I313-I332 HydrophobicContact CD1-CD1 3.63Å |
| 314 | D | 95 | Very high | 89.5 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -48.2 | -179 | -157.4 | 11.8 | 0 | 0 | 0 | 111.7 | R310 R311 R325 L329 | R310-D314 IonicContact NH1-OD2 2.68Å; R310-D314 PolarHBondContact NH1-OD2 3Å; R310-D314 WeakPolarHBondContact O-CB 3.49Å; R310-D314 PolarHBondContact O-N 2.87Å; R311-D314 PolarHBondContact O-N 3.3Å; D314-R325 PolarHBondContact O-NH1 3.45Å; D314-L329 HydrophobicContact CB-CD1 4.17Å; D314-L329 HydrophobicContact CB-CD2 4Å |
| 315 | E | 93.3 | Very high | 89.4 | Confident | 102 Ų | 102 | 52.4 Ų | 52.4 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.1 | -37.6 | -177.8 | -71.6 | 178.3 | -151.7 | 0 | 0 | 113.6 | K262 R311 | K262-E315 IonicContact NZ-OE2 2.94Å; K262-E315 PolarHBondContact NZ-OE2 3.41Å; R311-E315 WeakPolarHBondContact CD-OE1 3.31Å; R311-E315 HydrophobicContact CG-CG 4.43Å; R311-E315 WeakPolarHBondContact CG-OE1 3.28Å; R311-E315 IonicContact CZ-OE1 2.99Å; R311-E315 IonicContact NH1-OE1 3.34Å; R311-E315 PolarHBondContact NH1-OE1 3.39Å; R311-E315 IonicContact NH1-OE2 3.6Å; R311-E315 PolarHBondContact NH1-OE2 3.21Å; R311-E315 WeakPolarHBondContact O-CB 3.36Å; R311-E315 WeakPolarHBondContact O-CG 3.36Å; R311-E315 PolarHBondContact O-N 2.85Å |
| 316 | S | 93 | Very high | 89.2 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -113.3 | 2.9 | -164.3 | -65.6 | 0 | 0 | 0 | 0 | 114.5 | E265 R266 V312 | E265-S316 WeakPolarHBondContact CB-OG 3.27Å; E265-S316 PolarHBondContact OE2-OG 3.03Å; R266-S316 WeakPolarHBondContact CA-O 3.34Å; R266-S316 WeakPolarHBondContact CG-O 3.5Å; V312-S316 VanDerWaalsContact O-CB 3.31Å; V312-S316 WeakPolarHBondContact O-CB 3.43Å; V312-S316 PolarHBondContact O-N 3.43Å |
| 317 | T | 89.6 | Confident | 89.1 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -82.3 | 127.9 | 170.6 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | F273 I313 M321 R325 | F273-T317 HydrophobicContact CE2-CG2 3.91Å; I313-T317 WeakPolarHBondContact O-CB 3.33Å; I313-T317 PolarHBondContact O-N 3.16Å; I313-T317 PolarHBondContact O-OG1 2.85Å; T317-M321 HydrophobicContact CG2-CB 4.17Å; T317-M321 HydrophobicContact CG2-CE 3.91Å; T317-R325 HydrophobicContact CG2-CB 4.09Å; T317-R325 HydrophobicContact CG2-CG 4.18Å |
| 318 | V | 82.6 | Confident | 89 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | -70 | 147.1 | -180 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | L320 M321 | V318-L320 PolarHBondContact O-N 3.47Å; V318-M321 PolarHBondContact O-N 3.24Å | ||
| 319 | C | 65.5 | Low | 88.9 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 78% | 0.784 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -54.8 | -21.8 | -172.1 | -57.6 | 0 | 0 | 0 | 0 | 116 | M321 | C319-M321 PolarHBondContact O-N 3.27Š|
| 320 | L | 62.9 | Low | 88.9 | Confident | 165 Ų | 165 | 64.3 Ų | 64.3 | 86% | 0.864 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -68 | -12.1 | -178.5 | -68.6 | 170.4 | 0 | 0 | 0 | 113.8 | V318 | V318-L320 PolarHBondContact O-N 3.47Š|
| 321 | M | 72.3 | Confident | 88.9 | Confident | 41 Ų | 41 | 62 Ų | 62 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -117.8 | 39.2 | -179 | -61.1 | -170 | -62.6 | 0 | 0 | 112 | F273 T317 V318 C319 H323 E324 R325 | F273-M321 HydrophobicContact CB-CE 4.15Å; F273-M321 HydrophobicContact CB-SD 3.84Å; F273-M321 HydrophobicContact CD2-CE 3.41Å; F273-M321 VanDerWaalsContact CD2-CE 3.41Å; F273-M321 HydrophobicContact CD2-SD 4.07Å; F273-M321 HydrophobicContact CE2-CE 4.1Å; F273-M321 HydrophobicContact CG-CE 4.01Å; F273-M321 HydrophobicContact CG-SD 4.04Å; T317-M321 HydrophobicContact CG2-CB 4.17Å; T317-M321 HydrophobicContact CG2-CE 3.91Å; V318-M321 PolarHBondContact O-N 3.24Å; C319-M321 PolarHBondContact O-N 3.27Å; M321-H323 VanDerWaalsContact C-N 3.33Å; M321-H323 PolarHBondContact O-N 3.5Å; M321-E324 VanDerWaalsContact C-OE2 3.27Å; M321-E324 VanDerWaalsContact CA-OE2 3.32Å; M321-E324 WeakPolarHBondContact CA-OE2 3.49Å; M321-E324 HydrophobicContact CB-CB 4.44Å; M321-R325 WeakPolarHBondContact O-CB 3.39Å; M321-R325 PolarHBondContact O-N 3.27Å |
| 322 | G | 81.4 | Confident | 88.9 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 19% | 0.186 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -30.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R326 | G322-R326 WeakPolarHBondContact O-CG 3.37Å; G322-R326 PolarHBondContact O-N 3.46Å; G322-R326 PolarHBondContact O-NE 3.19Å |
| 323 | H | 87.7 | Confident | 88.9 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.3 | -51.4 | 178.6 | -179.1 | 76.9 | 0 | 0 | 0 | 111 | M321 R325 R326 Q327 | M321-H323 VanDerWaalsContact C-N 3.33Å; M321-H323 PolarHBondContact O-N 3.5Å; H323-R325 VanDerWaalsContact C-N 3.3Å; H323-R325 PolarHBondContact O-N 3.42Å; H323-R326 PolarHBondContact O-N 3.38Å; H323-R326 VanDerWaalsContact O-N 3.12Å; H323-Q327 VanDerWaalsContact NE2-CD 3.32Å; H323-Q327 PolarHBondContact NE2-NE2 3.36Å; H323-Q327 PolarHBondContact O-N 3.03Å |
| 324 | E | 89.1 | Confident | 88.9 | Confident | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 176.7 | -60.6 | 80.5 | 179.3 | 0 | 0 | 109.8 | F273 M321 R326 Q327 T328 | F273-E324 HydrophobicContact CD1-CB 4.39Å; F273-E324 HydrophobicContact CE1-CB 4.26Å; M321-E324 VanDerWaalsContact C-OE2 3.27Å; M321-E324 VanDerWaalsContact CA-OE2 3.32Å; M321-E324 WeakPolarHBondContact CA-OE2 3.49Å; M321-E324 HydrophobicContact CB-CB 4.44Å; E324-R326 PolarHBondContact O-N 2.92Å; E324-Q327 PolarHBondContact O-N 2.86Å; E324-T328 PolarHBondContact O-N 3.22Å; E324-T328 PolarHBondContact O-OG1 2.97Å |
| 325 | R | 92.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.7 | -50.6 | 174.7 | -175.6 | 178.1 | 73 | 171.7 | -0.4 | 111.8 | I313 D314 T317 M321 H323 Q327 T328 L329 | I313-R325 HydrophobicContact CG2-CG 4.33Å; D314-R325 PolarHBondContact O-NH1 3.45Å; T317-R325 HydrophobicContact CG2-CB 4.09Å; T317-R325 HydrophobicContact CG2-CG 4.18Å; M321-R325 WeakPolarHBondContact O-CB 3.39Å; M321-R325 PolarHBondContact O-N 3.27Å; H323-R325 VanDerWaalsContact C-N 3.3Å; H323-R325 PolarHBondContact O-N 3.42Å; R325-Q327 VanDerWaalsContact C-N 3.35Å; R325-Q327 PolarHBondContact O-N 2.98Å; R325-T328 PolarHBondContact O-N 3.24Å; R325-L329 HydrophobicContact CG-CD1 3.78Å; R325-L329 HydrophobicContact CG-CG 4.21Å; R325-L329 WeakPolarHBondContact O-CB 3.35Å; R325-L329 WeakPolarHBondContact O-CG 3.36Å; R325-L329 PolarHBondContact O-N 2.92Å |
| 326 | R | 93.4 | Very high | 89 | Confident | 148 Ų | 148 | 56.8 Ų | 56.8 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 179.9 | -77 | -176.5 | -64.6 | -123.1 | -2.4 | 112.1 | G322 H323 E324 N330 | G322-R326 WeakPolarHBondContact O-CG 3.37Å; G322-R326 PolarHBondContact O-N 3.46Å; G322-R326 PolarHBondContact O-NE 3.19Å; H323-R326 PolarHBondContact O-N 3.38Å; H323-R326 VanDerWaalsContact O-N 3.12Å; E324-R326 PolarHBondContact O-N 2.92Å; R326-N330 VanDerWaalsContact O-CB 3.32Å; R326-N330 WeakPolarHBondContact O-CB 3.38Å; R326-N330 PolarHBondContact O-N 3.45Å; R326-N330 PolarHBondContact O-ND2 3.34Å |
| 327 | Q | 94.4 | Very high | 89 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 38% | 0.379 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 176.5 | -72.4 | -177.8 | -34.5 | 0 | 0 | 111.4 | V279 H323 E324 R325 N330 M331 | V279-Q327 HydrophobicContact CG2-CB 4.42Å; H323-Q327 VanDerWaalsContact NE2-CD 3.32Å; H323-Q327 PolarHBondContact NE2-NE2 3.36Å; H323-Q327 PolarHBondContact O-N 3.03Å; E324-Q327 PolarHBondContact O-N 2.86Å; R325-Q327 VanDerWaalsContact C-N 3.35Å; R325-Q327 PolarHBondContact O-N 2.98Å; Q327-N330 PolarHBondContact O-N 2.94Å; Q327-M331 WeakPolarHBondContact O-CB 3.45Å; Q327-M331 PolarHBondContact O-N 2.84Å |
| 328 | T | 95.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 177.9 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | F272 F273 Q282 I313 E324 R325 N330 M331 I332 | F272-T328 HydrophobicContact CE1-CG2 4.44Å; F273-T328 WeakPolarHBondContact CE1-OG1 3.44Å; Q282-T328 VanDerWaalsContact OE1-CG2 3.3Å; Q282-T328 PolarHBondContact OE1-OG1 3.34Å; I313-T328 HydrophobicContact CD1-CG2 4.05Å; E324-T328 PolarHBondContact O-N 3.22Å; E324-T328 PolarHBondContact O-OG1 2.97Å; R325-T328 PolarHBondContact O-N 3.24Å; T328-N330 VanDerWaalsContact C-N 3.31Å; T328-N330 PolarHBondContact O-N 2.99Å; T328-M331 HydrophobicContact CG2-CE 4.46Å; T328-M331 PolarHBondContact O-N 3.46Å; T328-I332 HydrophobicContact CG2-CD1 4.05Å; T328-I332 HydrophobicContact CG2-CG1 4.41Å; T328-I332 WeakPolarHBondContact O-CG1 3.43Å; T328-I332 PolarHBondContact O-N 3.27Å |
| 329 | L | 96.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 178.2 | -69.5 | 174.7 | 0 | 0 | 0 | 111.9 | R310 I313 D314 R325 I332 T333 | R310-L329 HydrophobicContact CB-CD2 4.43Å; R310-L329 HydrophobicContact CG-CD2 3.51Å; R310-L329 VanDerWaalsContact O-CD2 3.3Å; R310-L329 WeakPolarHBondContact O-CD2 3.47Å; I313-L329 HydrophobicContact CB-CD2 4.19Å; I313-L329 HydrophobicContact CG2-CD2 3.93Å; I313-L329 HydrophobicContact CG2-CG 4.32Å; D314-L329 HydrophobicContact CB-CD1 4.17Å; D314-L329 HydrophobicContact CB-CD2 4Å; R325-L329 HydrophobicContact CG-CD1 3.78Å; R325-L329 HydrophobicContact CG-CG 4.21Å; R325-L329 WeakPolarHBondContact O-CB 3.35Å; R325-L329 WeakPolarHBondContact O-CG 3.36Å; R325-L329 PolarHBondContact O-N 2.92Å; L329-I332 PolarHBondContact O-N 2.84Å; L329-T333 WeakPolarHBondContact O-CB 3.43Å; L329-T333 PolarHBondContact O-N 3.01Å; L329-T333 PolarHBondContact O-OG1 3.36Å |
| 330 | N | 96.8 | Very high | 90.5 | Very high | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 175.4 | -74.6 | -13 | 0 | 0 | 0 | 111.3 | R326 Q327 T328 I332 T333 V334 | R326-N330 VanDerWaalsContact O-CB 3.32Å; R326-N330 WeakPolarHBondContact O-CB 3.38Å; R326-N330 PolarHBondContact O-N 3.45Å; R326-N330 PolarHBondContact O-ND2 3.34Å; Q327-N330 PolarHBondContact O-N 2.94Å; T328-N330 VanDerWaalsContact C-N 3.31Å; T328-N330 PolarHBondContact O-N 2.99Å; N330-I332 VanDerWaalsContact C-N 3.34Å; N330-I332 PolarHBondContact O-N 2.77Å; N330-T333 WeakPolarHBondContact O-CB 3.32Å; N330-T333 PolarHBondContact O-N 3.42Å; N330-T333 VanDerWaalsContact O-N 3.16Å; N330-V334 WeakPolarHBondContact O-CG2 3.18Å; N330-V334 PolarHBondContact O-N 3.18Å |
| 331 | M | 97.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 176.7 | 174.7 | -120.7 | 52.8 | 0 | 0 | 111.5 | V279 Q283 I286 Q327 T328 T333 V334 L335 | V279-M331 HydrophobicContact CG2-CB 3.91Å; V279-M331 HydrophobicContact CG2-CG 4.2Å; V279-M331 HydrophobicContact CG2-SD 4.3Å; Q283-M331 WeakPolarHBondContact CA-SD 3.44Å; Q283-M331 HydrophobicContact CB-CG 4.14Å; Q283-M331 HydrophobicContact CB-SD 3.47Å; Q283-M331 WeakPolarHBondContact CB-SD 3.44Å; Q283-M331 HydrophobicContact CG-CG 4.29Å; Q283-M331 HydrophobicContact CG-SD 4.02Å; I286-M331 HydrophobicContact CD1-CE 3.7Å; Q327-M331 WeakPolarHBondContact O-CB 3.45Å; Q327-M331 PolarHBondContact O-N 2.84Å; T328-M331 HydrophobicContact CG2-CE 4.46Å; T328-M331 PolarHBondContact O-N 3.46Å; M331-T333 VanDerWaalsContact C-N 3.3Å; M331-T333 PolarHBondContact O-N 3.49Å; M331-V334 PolarHBondContact O-N 2.87Å; M331-L335 HydrophobicContact CE-CD1 4.06Å; M331-L335 WeakPolarHBondContact O-CG 3.38Å; M331-L335 PolarHBondContact O-N 3.38Å; M331-L335 HydrophobicContact SD-CD1 4.25Å |
| 332 | I | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.7 | -65.8 | 173.7 | 0 | 0 | 0 | 110.1 | I286 L306 L309 R310 I313 T328 L329 N330 V334 L335 A336 | I286-I332 HydrophobicContact CD1-CG1 4.3Å; L306-I332 HydrophobicContact CB-CG2 4.07Å; L306-I332 HydrophobicContact CD2-CG2 4.11Å; L306-I332 VanDerWaalsContact O-CG2 3.24Å; L306-I332 WeakPolarHBondContact O-CG2 3.45Å; L309-I332 HydrophobicContact CD2-CD1 4.03Å; L309-I332 HydrophobicContact CG-CD1 3.95Å; R310-I332 HydrophobicContact CB-CG2 3.85Å; R310-I332 HydrophobicContact CG-CG2 4.42Å; I313-I332 HydrophobicContact CD1-CD1 3.63Å; T328-I332 HydrophobicContact CG2-CD1 4.05Å; T328-I332 HydrophobicContact CG2-CG1 4.41Å; T328-I332 WeakPolarHBondContact O-CG1 3.43Å; T328-I332 PolarHBondContact O-N 3.27Å; L329-I332 PolarHBondContact O-N 2.84Å; N330-I332 VanDerWaalsContact C-N 3.34Å; N330-I332 PolarHBondContact O-N 2.77Å; I332-V334 PolarHBondContact O-N 3.47Å; I332-L335 PolarHBondContact O-N 3.41Å; I332-A336 WeakPolarHBondContact O-CB 3.41Å; I332-A336 PolarHBondContact O-N 2.85Å |
| 333 | T | 95.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 61.4 Ų | 61.4 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | R310 L329 N330 M331 A336 L337 | R310-T333 PolarHBondContact NE-OG1 3.26Å; L329-T333 WeakPolarHBondContact O-CB 3.43Å; L329-T333 PolarHBondContact O-N 3.01Å; L329-T333 PolarHBondContact O-OG1 3.36Å; N330-T333 WeakPolarHBondContact O-CB 3.32Å; N330-T333 PolarHBondContact O-N 3.42Å; N330-T333 VanDerWaalsContact O-N 3.16Å; M331-T333 VanDerWaalsContact C-N 3.3Å; M331-T333 PolarHBondContact O-N 3.49Å; T333-A336 PolarHBondContact O-N 3.43Å; T333-L337 HydrophobicContact CG2-CD1 4.42Å; T333-L337 WeakPolarHBondContact O-CG 3.31Å; T333-L337 PolarHBondContact O-N 3.13Å |
| 334 | V | 96 | Very high | 90.7 | Very high | 97 Ų | 97 | 63.1 Ų | 63.1 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | N330 M331 I332 A336 L337 R338 | N330-V334 WeakPolarHBondContact O-CG2 3.18Å; N330-V334 PolarHBondContact O-N 3.18Å; M331-V334 PolarHBondContact O-N 2.87Å; I332-V334 PolarHBondContact O-N 3.47Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.25Å; V334-L337 PolarHBondContact O-N 2.89Å; V334-R338 PolarHBondContact O-N 3.27Å |
| 335 | L | 95.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.5 | -70 | 176.9 | 0 | 0 | 0 | 111.9 | Q283 I286 E287 L306 M331 I332 R338 V339 | Q283-L335 HydrophobicContact CG-CD1 4.36Å; Q283-L335 HydrophobicContact CG-CD2 4.41Å; I286-L335 HydrophobicContact CG2-CD1 4.02Å; E287-L335 HydrophobicContact CG-CD1 4.47Å; E287-L335 HydrophobicContact CG-CD2 4.03Å; E287-L335 WeakPolarHBondContact OE1-CD2 3.37Å; L306-L335 HydrophobicContact CD1-CB 4.02Å; L306-L335 HydrophobicContact CD2-CB 4.35Å; M331-L335 HydrophobicContact CE-CD1 4.06Å; M331-L335 WeakPolarHBondContact O-CG 3.38Å; M331-L335 PolarHBondContact O-N 3.38Å; M331-L335 HydrophobicContact SD-CD1 4.25Å; I332-L335 PolarHBondContact O-N 3.41Å; L335-R338 WeakPolarHBondContact O-CB 3.49Å; L335-R338 PolarHBondContact O-N 2.68Å; L335-V339 WeakPolarHBondContact O-CG2 3.1Å; L335-V339 PolarHBondContact O-N 3.46Å |
| 336 | A | 94.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y303 L306 M307 I332 T333 V334 R338 V339 L340 | Y303-A336 HydrophobicContact CD2-CB 3.97Å; Y303-A336 HydrophobicContact CE2-CB 3.99Å; L306-A336 HydrophobicContact CB-CB 4.06Å; L306-A336 HydrophobicContact CD1-CB 4.11Å; M307-A336 HydrophobicContact SD-CB 4.39Å; I332-A336 WeakPolarHBondContact O-CB 3.41Å; I332-A336 PolarHBondContact O-N 2.85Å; T333-A336 PolarHBondContact O-N 3.43Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.25Å; A336-R338 VanDerWaalsContact C-N 3.33Å; A336-R338 PolarHBondContact O-N 3.03Å; A336-V339 PolarHBondContact O-N 2.89Å; A336-L340 WeakPolarHBondContact O-CG 3.28Å; A336-L340 PolarHBondContact O-N 3.38Å |
| 337 | L | 92.3 | Very high | 85 | Confident | 110 Ų | 110 | 61 Ų | 61 | 58% | 0.576 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63 | -39.3 | 174.2 | -70.1 | 172.2 | 0 | 0 | 0 | 112.1 | T333 V334 L340 G341 | T333-L337 HydrophobicContact CG2-CD1 4.42Å; T333-L337 WeakPolarHBondContact O-CG 3.31Å; T333-L337 PolarHBondContact O-N 3.13Å; V334-L337 PolarHBondContact O-N 2.89Å; L337-L340 PolarHBondContact O-N 3.11Å; L337-G341 PolarHBondContact O-N 2.9Å |
| 338 | R | 92.1 | Very high | 82.8 | Confident | 147 Ų | 147 | 63.1 Ų | 63.1 | 56% | 0.555 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 174.5 | -179.7 | -178.7 | 174.1 | 174.3 | 5.2 | 111.4 | V334 L335 A336 L340 G341 E342 | V334-R338 PolarHBondContact O-N 3.27Å; L335-R338 WeakPolarHBondContact O-CB 3.49Å; L335-R338 PolarHBondContact O-N 2.68Å; A336-R338 VanDerWaalsContact C-N 3.33Å; A336-R338 PolarHBondContact O-N 3.03Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.05Å; R338-G341 PolarHBondContact O-N 3.29Å; R338-E342 HydrophobicContact CG-CG 4.46Å; R338-E342 WeakPolarHBondContact CG-OE1 3.44Å; R338-E342 IonicContact CZ-OE1 3.01Å; R338-E342 IonicContact NE-OE1 3.29Å; R338-E342 PolarHBondContact NE-OE1 3.36Å; R338-E342 IonicContact NH2-OE1 3.39Å; R338-E342 PolarHBondContact NH2-OE1 3.4Å; R338-E342 WeakPolarHBondContact O-CG 3.11Å; R338-E342 PolarHBondContact O-N 2.71Å |
| 339 | V | 90.1 | Very high | 80.7 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | K302 L306 L335 A336 G341 E342 Q343 | K302-V339 HydrophobicContact CB-CG1 3.66Å; K302-V339 HydrophobicContact CB-CG2 4.29Å; L306-V339 HydrophobicContact CD1-CG2 3.94Å; L335-V339 WeakPolarHBondContact O-CG2 3.1Å; L335-V339 PolarHBondContact O-N 3.46Å; A336-V339 PolarHBondContact O-N 2.89Å; V339-G341 VanDerWaalsContact C-N 3.33Å; V339-G341 PolarHBondContact O-N 3.43Å; V339-E342 PolarHBondContact O-N 2.96Å; V339-Q343 HydrophobicContact CG1-CG 4.38Å; V339-Q343 WeakPolarHBondContact O-CB 3.24Å; V339-Q343 VanDerWaalsContact O-CG 3.26Å; V339-Q343 WeakPolarHBondContact O-CG 3.42Å; V339-Q343 PolarHBondContact O-N 3.2Å |
| 340 | L | 87.8 | Confident | 78.8 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.7 | -73.1 | 175.4 | 0 | 0 | 0 | 112.7 | Y303 A336 L337 R338 Q343 N344 A345 | Y303-L340 HydrophobicContact CD1-CD2 4.47Å; Y303-L340 HydrophobicContact CD2-CD1 3.81Å; Y303-L340 HydrophobicContact CD2-CD2 3.73Å; Y303-L340 HydrophobicContact CD2-CG 3.53Å; Y303-L340 HydrophobicContact CE2-CD1 3.44Å; Y303-L340 VanDerWaalsContact CE2-CD1 3.44Å; Y303-L340 HydrophobicContact CE2-CD2 4.09Å; Y303-L340 HydrophobicContact CE2-CG 3.75Å; Y303-L340 HydrophobicContact CG-CD2 3.93Å; Y303-L340 HydrophobicContact CG-CG 4.24Å; A336-L340 WeakPolarHBondContact O-CG 3.28Å; A336-L340 PolarHBondContact O-N 3.38Å; L337-L340 PolarHBondContact O-N 3.11Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.05Å; L340-Q343 PolarHBondContact O-N 3.42Å; L340-N344 PolarHBondContact O-N 3.46Å; L340-A345 HydrophobicContact CD2-CB 3.96Å; L340-A345 PolarHBondContact O-N 2.91Å |
| 341 | G | 85.1 | Confident | 76.6 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L337 R338 V339 Q343 N344 | L337-G341 PolarHBondContact O-N 2.9Å; R338-G341 PolarHBondContact O-N 3.29Å; V339-G341 VanDerWaalsContact C-N 3.33Å; V339-G341 PolarHBondContact O-N 3.43Å; G341-Q343 VanDerWaalsContact C-N 3.3Å; G341-Q343 PolarHBondContact O-N 3.24Å; G341-N344 PolarHBondContact O-N 3.37Å |
| 342 | E | 83.6 | Confident | 74.3 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.8 | -33.1 | 177.4 | -72 | 174.7 | -174.8 | 0 | 0 | 112.4 | R338 V339 N344 | R338-E342 HydrophobicContact CG-CG 4.46Å; R338-E342 WeakPolarHBondContact CG-OE1 3.44Å; R338-E342 IonicContact CZ-OE1 3.01Å; R338-E342 IonicContact NE-OE1 3.29Å; R338-E342 PolarHBondContact NE-OE1 3.36Å; R338-E342 IonicContact NH2-OE1 3.39Å; R338-E342 PolarHBondContact NH2-OE1 3.4Å; R338-E342 WeakPolarHBondContact O-CG 3.11Å; R338-E342 PolarHBondContact O-N 2.71Å; V339-E342 PolarHBondContact O-N 2.96Å; E342-N344 PolarHBondContact O-N 3.03Å |
| 343 | Q | 76.1 | Confident | 72.2 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 32% | 0.318 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.1 | 177 | -71 | 173.6 | -11.1 | 0 | 0 | 113.8 | E299 A300 V339 L340 G341 A345 | E299-Q343 PolarHBondContact O-NE2 2.93Å; A300-Q343 PolarHBondContact O-NE2 2.87Å; V339-Q343 HydrophobicContact CG1-CG 4.38Å; V339-Q343 WeakPolarHBondContact O-CB 3.24Å; V339-Q343 VanDerWaalsContact O-CG 3.26Å; V339-Q343 WeakPolarHBondContact O-CG 3.42Å; V339-Q343 PolarHBondContact O-N 3.2Å; L340-Q343 PolarHBondContact O-N 3.42Å; G341-Q343 VanDerWaalsContact C-N 3.3Å; G341-Q343 PolarHBondContact O-N 3.24Å; Q343-A345 HydrophobicContact CB-CB 4.37Å; Q343-A345 PolarHBondContact O-N 3.46Å; Q343-A345 VanDerWaalsContact O-N 3.12Å |
| 344 | N | 64.8 | Low | 70 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 75% | 0.754 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 27.1 | -170.3 | -64.5 | -46.5 | 0 | 0 | 0 | 113.3 | L340 G341 E342 I346 | L340-N344 PolarHBondContact O-N 3.46Å; G341-N344 PolarHBondContact O-N 3.37Å; E342-N344 PolarHBondContact O-N 3.03Å; N344-I346 PolarHBondContact O-N 2.61Å |
| 345 | A | 56.6 | Low | 67.7 | Low | 59 Ų | 59 | 86.9 Ų | 86.9 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | trans | -82 | 1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L340 Q343 | L340-A345 HydrophobicContact CD2-CB 3.96Å; L340-A345 PolarHBondContact O-N 2.91Å; Q343-A345 HydrophobicContact CB-CB 4.37Å; Q343-A345 PolarHBondContact O-N 3.46Å; Q343-A345 VanDerWaalsContact O-N 3.12Å | ||
| 346 | I | 49.1 | Very low | 65.7 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -78.5 | 116.4 | 160.1 | -54.2 | 176.4 | 0 | 0 | 0 | 105.4 | N344 N348 | N344-I346 PolarHBondContact O-N 2.61Å; I346-N348 PolarHBondContact O-N 2.94Å |
| 347 | P | 48.1 | Very low | 63.5 | Low | 90 Ų | 90 | 104.6 Ų | 104.6 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | trans | -53.2 | 125 | 176 | 20.8 | -30.3 | 0 | 0 | 0 | 107.9 | T349 V352 | P347-T349 PolarHBondContact O-N 3.49Å; P347-V352 HydrophobicContact CB-CG2 4.27Å; P347-V352 HydrophobicContact CG-CG2 4.35Å | ||
| 348 | N | 48.2 | Very low | 61.7 | Low | 125 Ų | 125 | 103.7 Ų | 103.7 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | trans | -46.7 | 110.3 | 172.8 | -176.7 | 1.3 | 0 | 0 | 0 | 107.7 | I346 A350 N351 | I346-N348 PolarHBondContact O-N 2.94Å; N348-A350 PolarHBondContact O-N 3.18Å; N348-A350 VanDerWaalsContact OD1-CB 3.28Å; N348-A350 WeakPolarHBondContact OD1-CB 3.06Å; N348-A350 PolarHBondContact OD1-N 2.62Å; N348-N351 PolarHBondContact O-N 3.21Å | ||
| 349 | T | 52 | Low | 59.7 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 66% | 0.663 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -64.9 | -5.7 | -175.1 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | P347 N351 V352 | P347-T349 PolarHBondContact O-N 3.49Å; T349-N351 PolarHBondContact O-N 2.85Å; T349-N351 VanDerWaalsContact O-N 3.13Å; T349-V352 HydrophobicContact CG2-CG2 4.41Å; T349-V352 PolarHBondContact O-N 3.37Å |
| 350 | A | 55.4 | Low | 58 | Low | 62 Ų | 62 | 104.6 Ų | 104.6 | 51% | 0.512 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -51.7 | -28.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N348 | N348-A350 PolarHBondContact O-N 3.18Å; N348-A350 VanDerWaalsContact OD1-CB 3.28Å; N348-A350 WeakPolarHBondContact OD1-CB 3.06Å; N348-A350 PolarHBondContact OD1-N 2.62Å |
| 351 | N | 50.5 | Low | 56.8 | Low | 143 Ų | 143 | 112 Ų | 112 | 77% | 0.765 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -120.5 | 12.2 | -178.7 | -65.5 | -16.6 | 0 | 0 | 0 | 114.3 | N348 T349 T353 | N348-N351 PolarHBondContact O-N 3.21Å; T349-N351 PolarHBondContact O-N 2.85Å; T349-N351 VanDerWaalsContact O-N 3.13Å; N351-T353 PolarHBondContact O-N 3.46Å |
| 352 | V | 49.8 | Very low | 55.2 | Low | 64 Ų | 64 | 115 Ų | 115 | 39% | 0.388 | 63% | 0.626 | S | S | . | * | trans | -85.4 | 104.3 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | P347 T349 C354 | P347-V352 HydrophobicContact CB-CG2 4.27Å; P347-V352 HydrophobicContact CG-CG2 4.35Å; T349-V352 HydrophobicContact CG2-CG2 4.41Å; T349-V352 PolarHBondContact O-N 3.37Å; V352-C354 PolarHBondContact O-N 3.1Å | ||
| 353 | T | 53 | Low | 53.6 | Low | 101 Ų | 101 | 114.7 Ų | 114.7 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | trans | -78.9 | 104.7 | 168.9 | -43.6 | 0 | 0 | 0 | 0 | 109 | N351 F355 | N351-T353 PolarHBondContact O-N 3.46Å; T353-F355 PolarHBondContact O-N 3.02Å | ||
| 354 | C | 49.4 | Very low | 52.3 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | trans | -78.2 | 114.5 | 172.5 | -68.9 | 0 | 0 | 0 | 0 | 109.9 | V352 Y356 | V352-C354 PolarHBondContact O-N 3.1Å; C354-Y356 PolarHBondContact O-N 3.15Å | ||
| 355 | F | 47.8 | Very low | 51.7 | Low | 190 Ų | 190 | 118.4 Ų | 118.4 | 83% | 0.833 | 66% | 0.661 | S | S | * | * | trans | -79.7 | 99.8 | 168.5 | -67.1 | -84.7 | 0 | 0 | 0 | 108.9 | T353 | T353-F355 PolarHBondContact O-N 3.02Š| ||
| 356 | Y | 53.8 | Low | 51.1 | Low | 207 Ų | 207 | 121.5 Ų | 121.5 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | trans | -83 | 113.5 | 169.2 | -152.7 | -91.4 | 0 | 0 | 0 | 108.2 | C354 P358 | C354-Y356 PolarHBondContact O-N 3.15Å; Y356-P358 WeakPolarHBondContact O-CD 3.32Å | ||
| 357 | Q | 48.6 | Very low | 50.7 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.8 | 164.9 | -102.8 | -179.6 | -35.3 | 0 | 0 | 107.8 | ||
| 358 | P | 53.2 | Low | 50.5 | Low | 91 Ų | 91 | 128.8 Ų | 128.8 | 59% | 0.591 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -57 | 145.3 | 176.9 | -20.5 | 30.7 | 0 | 0 | 0 | 110.8 | Y356 V362 | Y356-P358 WeakPolarHBondContact O-CD 3.32Å; P358-V362 HydrophobicContact CB-CB 4.4Å |
| 359 | A | 50.6 | Low | 50.1 | Low | 38 Ų | 38 | 128 Ų | 128 | 31% | 0.314 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 146.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y361 V362 | A359-Y361 HydrophobicContact CB-CD1 3.87Å; A359-Y361 HydrophobicContact CB-CE1 3.38Å; A359-Y361 PolarHBondContact O-N 3.12Å; A359-V362 PolarHBondContact O-N 3.41Å |
| 360 | P | 55.5 | Low | 49.7 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 90% | 0.896 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -5.8 | -164.7 | -23.8 | 32.6 | 0 | 0 | 0 | 117.3 | ||
| 361 | Y | 61 | Low | 49.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -2.2 | -178.5 | 60.2 | -96.9 | 0 | 0 | 0 | 113.7 | A359 S363 | A359-Y361 HydrophobicContact CB-CD1 3.87Å; A359-Y361 HydrophobicContact CB-CE1 3.38Å; A359-Y361 PolarHBondContact O-N 3.12Å; Y361-S363 PolarHBondContact O-N 3.32Å |
| 362 | V | 51.2 | Low | 48.9 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 56% | 0.564 | 71% | 0.708 | S | S | * | * | trans | -90.9 | 76.5 | 175.2 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | P358 A359 E364 | P358-V362 HydrophobicContact CB-CB 4.4Å; A359-V362 PolarHBondContact O-N 3.41Å; V362-E364 PolarHBondContact O-N 3.36Å | ||
| 363 | S | 51.5 | Low | 48.4 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -97.5 | 64.6 | 175.7 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | Y361 | Y361-S363 PolarHBondContact O-N 3.32Š| ||
| 364 | E | 48.9 | Very low | 47.8 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | -134.6 | 131.5 | 162.3 | -75.6 | -157.3 | 174.2 | 0 | 0 | 111.2 | V362 I366 | V362-E364 PolarHBondContact O-N 3.36Å; E364-I366 PolarHBondContact O-N 3.12Å; E364-I366 VanDerWaalsContact O-N 3.15Å | ||
| 365 | P | 51.1 | Low | 47.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -89.4 | 78.4 | -173.9 | 35.5 | -31.7 | 0 | 0 | 0 | 110.2 | ||||
| 366 | I | 45 | Very low | 47.2 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 64% | 0.641 | 73% | 0.731 | S | S | * | * | trans | -136.1 | 104.8 | 175.1 | -56.7 | -176.3 | 0 | 0 | 0 | 110.3 | E364 | E364-I366 PolarHBondContact O-N 3.12Å; E364-I366 VanDerWaalsContact O-N 3.15Å | ||
| 367 | Y | 40.9 | Very low | 46.6 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | 76.8 | 118.7 | 157.4 | -82.3 | -108.3 | 0 | 0 | 0 | 120.7 | S369 | Y367-S369 PolarHBondContact O-N 3.34Å; Y367-S369 PolarHBondContact O-OG 3.17Å | ||
| 368 | N | 42.2 | Very low | 46.2 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | -46.3 | 96.5 | 154.9 | -80.5 | -20.8 | 0 | 0 | 0 | 110.6 | Y370 | N368-Y370 HydrophobicContact CB-CD2 4.45Å; N368-Y370 HydrophobicContact CB-CE2 3.99Å | ||
| 369 | S | 39.9 | Very low | 45.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -98.8 | 90.8 | 172.6 | -64.5 | 0 | 0 | 0 | 0 | 108.7 | Y367 Y371 | Y367-S369 PolarHBondContact O-N 3.34Å; Y367-S369 PolarHBondContact O-OG 3.17Å; S369-Y371 PolarHBondContact O-N 2.99Å | ||
| 370 | Y | 43.5 | Very low | 44.9 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 74% | 0.737 | 75% | 0.753 | S | S | * | * | trans | -71.9 | 109.2 | 165.9 | -62 | -82.4 | 0 | 0 | 0 | 108.2 | N368 I372 | N368-Y370 HydrophobicContact CB-CD2 4.45Å; N368-Y370 HydrophobicContact CB-CE2 3.99Å; Y370-I372 PolarHBondContact O-N 3.42Å | ||
| 371 | Y | 48.4 | Very low | 44 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -88.2 | 102.7 | 171.9 | -156.2 | -90 | 0 | 0 | 0 | 109 | S369 | S369-Y371 PolarHBondContact O-N 2.99Š| ||
| 372 | I | 41.8 | Very low | 42.8 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -88.9 | 118.6 | 170.7 | -58.6 | 174.4 | 0 | 0 | 0 | 106.8 | Y370 Q374 | Y370-I372 PolarHBondContact O-N 3.42Å; I372-Q374 PolarHBondContact O-N 3.38Å; I372-Q374 VanDerWaalsContact O-N 3.1Å | ||
| 373 | P | 38.7 | Very low | 42.1 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 57% | 0.565 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 113.9 | 173.5 | 26.8 | -29.3 | 0 | 0 | 0 | 108.3 | A375 | P373-A375 PolarHBondContact O-N 3.01Š| ||
| 374 | Q | 40.3 | Very low | 41.3 | Very low | 185 Ų | 185 | 150.3 Ų | 150.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 127 | 169.9 | -77.7 | -173.3 | -27.6 | 0 | 0 | 108.9 | I372 Q376 | I372-Q374 PolarHBondContact O-N 3.38Å; I372-Q374 VanDerWaalsContact O-N 3.1Å; Q374-Q376 PolarHBondContact O-N 2.87Å |
| 375 | A | 41.9 | Very low | 40.8 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P373 | P373-A375 PolarHBondContact O-N 3.01Š|
| 376 | Q | 43.2 | Very low | 40.1 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 133.8 | 171.3 | -75.8 | -174.4 | -26 | 0 | 0 | 109.4 | Q374 | Q374-Q376 PolarHBondContact O-N 2.87Š|
| 377 | P | 41.7 | Very low | 39.8 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.2 | 170 | 26.2 | -30.8 | 0 | 0 | 0 | 110.1 | L379 | P377-L379 PolarHBondContact O-N 3.2Š|
| 378 | P | 40.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.6 | -176.8 | 23.8 | -31.9 | 0 | 0 | 0 | 110.4 | V380 | P378-V380 PolarHBondContact O-N 3.22Š|
| 379 | L | 39.6 | Very low | 39.2 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -65 | 105.8 | 171.8 | -71.1 | 171.6 | 0 | 0 | 0 | 109 | P377 Y381 | P377-L379 PolarHBondContact O-N 3.2Å; L379-Y381 PolarHBondContact O-N 3.27Å | ||
| 380 | V | 37.2 | Very low | 38.9 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 110.4 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | P378 H382 | P378-V380 PolarHBondContact O-N 3.22Å; V380-H382 PolarHBondContact O-N 2.95Å | ||
| 381 | Y | 34.9 | Very low | 38.5 | Very low | 223 Ų | 223 | 153 Ų | 153 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -69.1 | 113.2 | 171.8 | -118.7 | -96 | 0 | 0 | 0 | 109 | L379 | L379-Y381 PolarHBondContact O-N 3.27Š| ||
| 382 | H | 37.2 | Very low | 37.8 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 126 | 164.5 | -79.6 | -21 | 0 | 0 | 0 | 109.5 | V380 | V380-H382 PolarHBondContact O-N 2.95Š|
| 383 | P | 36.6 | Very low | 37.3 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.9 | 175.3 | 26.7 | -30 | 0 | 0 | 0 | 110.4 | ||
| 384 | Y | 33.7 | Very low | 37.1 | Very low | 222 Ų | 222 | 149.1 Ų | 149.1 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.4 | 173.1 | -88.1 | -92.3 | 0 | 0 | 0 | 111.1 | L386 | Y384-L386 PolarHBondContact O-N 3.35Š|
| 385 | P | 38.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 124.7 | 169.4 | -7.2 | 22.1 | 0 | 0 | 0 | 110.3 | H387 | P385-H387 PolarHBondContact O-N 3.22Å; P385-H387 VanDerWaalsContact O-N 3.1Å |
| 386 | L | 37.2 | Very low | 36.7 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -67.2 | 100.1 | 166.6 | -83.7 | 156.4 | 0 | 0 | 0 | 109.2 | Y384 V388 | Y384-L386 PolarHBondContact O-N 3.35Å; L386-V388 PolarHBondContact O-N 3.48Å; L386-V388 VanDerWaalsContact O-N 3.12Å | ||
| 387 | H | 38.1 | Very low | 36.3 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -74.8 | 95.6 | 164.6 | -99.9 | -77.1 | 0 | 0 | 0 | 109.3 | P385 H389 | P385-H387 PolarHBondContact O-N 3.22Å; P385-H387 VanDerWaalsContact O-N 3.1Å; H387-H389 PolarHBondContact O-N 3.19Å | ||
| 388 | V | 37.9 | Very low | 36 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 74% | 0.739 | 82% | 0.823 | S | S | * | * | trans | -76.5 | 105.2 | 165.1 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | L386 M390 | L386-V388 PolarHBondContact O-N 3.48Å; L386-V388 VanDerWaalsContact O-N 3.12Å; V388-M390 PolarHBondContact O-N 2.81Å | ||
| 389 | H | 33.2 | Very low | 35.8 | Very low | 174 Ų | 174 | 156 Ų | 156 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -83.3 | 97.5 | 170.3 | -143.9 | -27.6 | 0 | 0 | 0 | 108.8 | H387 Q391 | H387-H389 PolarHBondContact O-N 3.19Å; H389-Q391 PolarHBondContact O-N 3.43Å | ||
| 390 | M | 34.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | -68 | 119.1 | 160 | -102.2 | -175.8 | 158.1 | 0 | 0 | 107.9 | V388 | V388-M390 PolarHBondContact O-N 2.81Š| ||
| 391 | Q | 33.3 | Very low | 35.4 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -98.7 | 103.1 | 161.7 | -101 | -178.1 | -18.6 | 0 | 0 | 108 | H389 | H389-Q391 PolarHBondContact O-N 3.43Š| ||
| 392 | S | 34.1 | Very low | 35.4 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -114.1 | 114 | 162.4 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 393 | G | 32.3 | Very low | 35.3 | Very low | 69 Ų | 69 | 154.2 Ų | 154.2 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | trans | 5.5 | 159.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 394 | L | 33.2 | Very low | 35.2 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 90% | 0.895 | 85% | 0.846 | S | S | * | * | trans | -165.4 | 140.6 | 133.5 | -104.4 | 161.3 | 0 | 0 | 0 | 112.5 | ||||
| 395 | V | 36.9 | Very low | 35.3 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 100% | 1.255 | 84% | 0.844 | S | S | * | * | trans | 82.5 | 0 | 166.7 | -155.6 | 0 | 0 | 0 | 0 | 118.1 |
Retrieved 395 of 395 residues in 107.7 ms
(Link to these results)