| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.9 | Very low | 70.7 | Confident | 233 Ų | 233 | 76 Ų | 76 | 100% | 1.148 | 41% | 0.405 | S | S | * | . | 0 | 100.4 | 0 | -74.4 | -87.6 | -104.9 | 0 | 0 | 106.1 | L3 | M1-L3 PolarHBondContact O-N 3.12Å; M1-L3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | S | 43.4 | Very low | 72.3 | Confident | 111 Ų | 111 | 69.7 Ų | 69.7 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | trans | -63.2 | 116.4 | -179.8 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | D4 | S2-D4 PolarHBondContact O-N 3.27Š| ||
| 3 | L | 57.4 | Low | 73.8 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 18% | 0.183 | 35% | 0.348 | C | S | . | . | trans | -52 | 137.9 | 167.6 | -95.2 | 127 | 0 | 0 | 0 | 109.4 | M1 K5 V144 T147 E151 | M1-L3 PolarHBondContact O-N 3.12Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-K5 PolarHBondContact O-N 3.06Å; L3-V144 HydrophobicContact CD2-CG1 4.06Å; L3-T147 HydrophobicContact CD1-CG2 3.35Å; L3-E151 VanDerWaalsContact CD1-OE1 3.27Å; L3-E151 WeakPolarHBondContact CD1-OE1 3.47Å | ||
| 4 | D | 69 | Low | 75 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | trans | -65.5 | 103.2 | 168.8 | -175.5 | -4.2 | 0 | 0 | 0 | 107.5 | S2 A6 K7 L8 | S2-D4 PolarHBondContact O-N 3.27Å; D4-A6 PolarHBondContact O-N 3.48Å; D4-A6 PolarHBondContact OD1-N 3.21Å; D4-K7 HydrophobicContact CB-CB 4.32Å; D4-K7 HydrophobicContact CB-CD 3.96Å; D4-K7 HydrophobicContact CB-CG 3.97Å; D4-K7 WeakPolarHBondContact O-CA 3.45Å; D4-K7 WeakPolarHBondContact O-CB 3.47Å; D4-K7 PolarHBondContact O-N 2.85Å; D4-K7 WeakPolarHBondContact OD2-CE 3.28Å; D4-L8 PolarHBondContact O-N 3.35Å | ||
| 5 | K | 68.9 | Low | 76.2 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.5 | -20.6 | -171 | -63.3 | -174.7 | 178.6 | -175.2 | 0 | 112.9 | L3 T108 | L3-K5 PolarHBondContact O-N 3.06Å; K5-T108 HydrophobicContact CB-CG2 3.92Å |
| 6 | A | 68.7 | Low | 77.1 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D4 L8 C9 D10 | D4-A6 PolarHBondContact O-N 3.48Å; D4-A6 PolarHBondContact OD1-N 3.21Å; A6-L8 VanDerWaalsContact C-N 3.28Å; A6-L8 PolarHBondContact O-N 3.3Å; A6-C9 PolarHBondContact O-N 2.97Å; A6-D10 PolarHBondContact O-N 3.01Å |
| 7 | K | 81.3 | Confident | 77.9 | Confident | 128 Ų | 128 | 57.7 Ų | 57.7 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.5 | -31.1 | 177.3 | -63.7 | -174.9 | -174.7 | 177.9 | 0 | 112.6 | D4 D10 S11 | D4-K7 HydrophobicContact CB-CB 4.32Å; D4-K7 HydrophobicContact CB-CD 3.96Å; D4-K7 HydrophobicContact CB-CG 3.97Å; D4-K7 WeakPolarHBondContact O-CA 3.45Å; D4-K7 WeakPolarHBondContact O-CB 3.47Å; D4-K7 PolarHBondContact O-N 2.85Å; D4-K7 WeakPolarHBondContact OD2-CE 3.28Å; K7-D10 PolarHBondContact O-N 3.43Å; K7-S11 WeakPolarHBondContact O-CB 3.32Å; K7-S11 PolarHBondContact O-N 3.18Å; K7-S11 PolarHBondContact O-OG 2.64Å |
| 8 | L | 85.5 | Confident | 78.6 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -51.7 | 172.9 | 179 | 64.7 | 0 | 0 | 0 | 110.6 | D4 A6 D10 S11 L12 V144 A148 | D4-L8 PolarHBondContact O-N 3.35Å; A6-L8 VanDerWaalsContact C-N 3.28Å; A6-L8 PolarHBondContact O-N 3.3Å; L8-D10 PolarHBondContact O-N 3.01Å; L8-S11 PolarHBondContact O-N 3.17Å; L8-L12 HydrophobicContact CD1-CD1 3.73Å; L8-L12 HydrophobicContact CD1-CG 4.1Å; L8-L12 HydrophobicContact CG-CD1 3.81Å; L8-L12 HydrophobicContact CG-CG 4.46Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 3.35Å; L8-V144 HydrophobicContact CD1-CG1 4.03Å; L8-A148 HydrophobicContact CD1-CB 3.69Å |
| 9 | C | 87.9 | Confident | 79 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | -179.4 | -168.6 | 0 | 0 | 0 | 0 | 112.6 | A6 L13 V107 | A6-C9 PolarHBondContact O-N 2.97Å; C9-L13 VanDerWaalsContact O-CB 3.31Å; C9-L13 WeakPolarHBondContact O-CB 3.39Å; C9-L13 PolarHBondContact O-N 2.69Å; C9-V107 HydrophobicContact CB-CG1 3.61Å; C9-V107 WeakPolarHBondContact CB-O 3.37Å; C9-V107 PolarHBondContact SG-O 2.68Å |
| 10 | D | 89.3 | Confident | 79.3 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.5 | -76.7 | -49.6 | 0 | 0 | 0 | 113.1 | A6 K7 L8 L13 T14 K27 | A6-D10 PolarHBondContact O-N 3.01Å; K7-D10 PolarHBondContact O-N 3.43Å; L8-D10 PolarHBondContact O-N 3.01Å; D10-L13 PolarHBondContact O-N 2.84Å; D10-T14 PolarHBondContact O-N 3.24Å; D10-T14 VanDerWaalsContact O-N 3.13Å; D10-T14 PolarHBondContact O-OG1 2.79Å; D10-K27 WeakPolarHBondContact OD1-CE 3.42Å; D10-K27 IonicContact OD1-NZ 3.26Å; D10-K27 PolarHBondContact OD1-NZ 3.28Å; D10-K27 IonicContact OD2-NZ 2.71Å; D10-K27 PolarHBondContact OD2-NZ 3.14Å |
| 11 | S | 91.3 | Very high | 79.6 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | K7 L8 T14 W15 V141 | K7-S11 WeakPolarHBondContact O-CB 3.32Å; K7-S11 PolarHBondContact O-N 3.18Å; K7-S11 PolarHBondContact O-OG 2.64Å; L8-S11 PolarHBondContact O-N 3.17Å; S11-T14 WeakPolarHBondContact O-CB 3.42Å; S11-T14 PolarHBondContact O-N 3.46Å; S11-W15 PolarHBondContact O-N 3.44Å; S11-W15 VanDerWaalsContact O-N 3.11Å; S11-V141 WeakPolarHBondContact O-CG1 3.46Å |
| 12 | L | 90.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.8 | -33.9 | 177 | -67.9 | 177 | 0 | 0 | 0 | 112.8 | L8 T14 W15 L16 L114 Q115 L118 V145 | L8-L12 HydrophobicContact CD1-CD1 3.73Å; L8-L12 HydrophobicContact CD1-CG 4.1Å; L8-L12 HydrophobicContact CG-CD1 3.81Å; L8-L12 HydrophobicContact CG-CG 4.46Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 3.35Å; L12-T14 VanDerWaalsContact C-N 3.35Å; L12-W15 PolarHBondContact O-N 2.98Å; L12-L16 WeakPolarHBondContact O-CB 3.09Å; L12-L16 PolarHBondContact O-N 3.07Å; L12-L114 HydrophobicContact CB-CB 3.96Å; L12-L114 HydrophobicContact CB-CD1 4.09Å; L12-L114 HydrophobicContact CD1-CB 3.8Å; L12-Q115 HydrophobicContact CD1-CB 4.02Å; L12-L118 HydrophobicContact CD2-CB 4.27Å; L12-L118 HydrophobicContact CD2-CD2 3.53Å; L12-L118 HydrophobicContact CD2-CG 4.45Å; L12-V145 HydrophobicContact CD2-CG2 4.33Å |
| 13 | L | 91.5 | Very high | 83.6 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 171.9 | 175 | 65 | 0 | 0 | 0 | 110.9 | C9 D10 W15 L16 Q17 K27 L30 | C9-L13 VanDerWaalsContact O-CB 3.31Å; C9-L13 WeakPolarHBondContact O-CB 3.39Å; C9-L13 PolarHBondContact O-N 2.69Å; D10-L13 PolarHBondContact O-N 2.84Å; L13-W15 VanDerWaalsContact C-N 3.28Å; L13-W15 PolarHBondContact O-N 3.33Å; L13-L16 WeakPolarHBondContact O-CB 2.97Å; L13-L16 PolarHBondContact O-N 2.99Å; L13-L16 VanDerWaalsContact O-N 3.1Å; L13-Q17 WeakPolarHBondContact O-CG 3.37Å; L13-Q17 PolarHBondContact O-N 3.38Å; L13-K27 HydrophobicContact CD2-CG 3.92Å; L13-L30 HydrophobicContact CD1-CD1 3.61Å; L13-L30 HydrophobicContact CD1-CG 4.23Å |
| 14 | T | 90.9 | Very high | 84.8 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 177.1 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | D10 S11 L12 V141 | D10-T14 PolarHBondContact O-N 3.24Å; D10-T14 VanDerWaalsContact O-N 3.13Å; D10-T14 PolarHBondContact O-OG1 2.79Å; S11-T14 WeakPolarHBondContact O-CB 3.42Å; S11-T14 PolarHBondContact O-N 3.46Å; L12-T14 VanDerWaalsContact C-N 3.35Å; T14-V141 HydrophobicContact CG2-CG2 4.43Å |
| 15 | W | 92.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 171.9 | 169.3 | 71.5 | 0 | 0 | 0 | 112.2 | S11 L12 L13 Q17 T18 F19 V117 L118 A121 L137 V145 | S11-W15 PolarHBondContact O-N 3.44Å; S11-W15 VanDerWaalsContact O-N 3.11Å; L12-W15 PolarHBondContact O-N 2.98Å; L13-W15 VanDerWaalsContact C-N 3.28Å; L13-W15 PolarHBondContact O-N 3.33Å; W15-Q17 VanDerWaalsContact C-N 3.27Å; W15-Q17 PolarHBondContact O-N 3.41Å; W15-T18 VanDerWaalsContact O-CB 3.3Å; W15-T18 WeakPolarHBondContact O-CB 3.5Å; W15-T18 VanDerWaalsContact O-CG2 3.31Å; W15-T18 WeakPolarHBondContact O-CG2 3.28Å; W15-T18 PolarHBondContact O-N 2.87Å; W15-T18 PolarHBondContact O-OG1 3.47Å; W15-F19 HydrophobicContact CD2-CE2 4.34Å; W15-F19 AromaticContact CE2-CE2 3.75Å; W15-F19 AromaticContact CH2-CE2 3.93Å; W15-F19 HydrophobicContact CH2-CE2 3.93Å; W15-F19 HydrophobicContact CH2-CZ 4.12Å; W15-F19 AromaticContact CZ2-CE2 3.54Å; W15-F19 HydrophobicContact CZ2-CE2 3.54Å; W15-F19 AromaticContact CZ2-CZ 3.7Å; W15-F19 HydrophobicContact CZ2-CZ 3.7Å; W15-F19 HydrophobicContact CZ3-CE2 4.48Å; W15-V117 HydrophobicContact CH2-CG1 4.28Å; W15-V117 HydrophobicContact CZ3-CG1 4.28Å; W15-L118 HydrophobicContact CD2-CD1 4.02Å; W15-L118 HydrophobicContact CE3-CB 4.38Å; W15-L118 HydrophobicContact CE3-CD1 4.22Å; W15-L118 HydrophobicContact CH2-CB 4.02Å; W15-L118 HydrophobicContact CH2-CD1 3.94Å; W15-L118 HydrophobicContact CZ2-CD1 3.71Å; W15-L118 HydrophobicContact CZ3-CB 3.87Å; W15-L118 HydrophobicContact CZ3-CD1 4.18Å; W15-A121 HydrophobicContact CH2-CB 3.7Å; W15-A121 HydrophobicContact CZ2-CB 3.54Å; W15-L137 HydrophobicContact CB-CD1 3.82Å; W15-L137 HydrophobicContact CG-CD1 4.28Å; W15-V145 HydrophobicContact CB-CG2 4.49Å |
| 16 | L | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -34.2 | -178.8 | -148.7 | 79 | 0 | 0 | 0 | 112.6 | L12 L13 T18 F19 L30 V39 L114 V117 | L12-L16 WeakPolarHBondContact O-CB 3.09Å; L12-L16 PolarHBondContact O-N 3.07Å; L13-L16 WeakPolarHBondContact O-CB 2.97Å; L13-L16 PolarHBondContact O-N 2.99Å; L13-L16 VanDerWaalsContact O-N 3.1Å; L16-T18 PolarHBondContact O-N 3.33Å; L16-F19 WeakPolarHBondContact O-CB 3.16Å; L16-F19 WeakPolarHBondContact O-CD2 3.27Å; L16-F19 PolarHBondContact O-N 3.38Å; L16-F19 VanDerWaalsContact O-N 3.15Å; L16-L30 HydrophobicContact CD2-CD1 4.09Å; L16-L30 HydrophobicContact CD2-CD2 3.6Å; L16-V39 HydrophobicContact CD1-CB 4.31Å; L16-V39 HydrophobicContact CD1-CG1 3.79Å; L16-V39 HydrophobicContact CD1-CG2 4.03Å; L16-V39 HydrophobicContact CD2-CG2 4.23Å; L16-V39 HydrophobicContact CG-CG1 4.47Å; L16-V39 HydrophobicContact CG-CG2 3.84Å; L16-L114 HydrophobicContact CD1-CD2 4.27Å; L16-L114 HydrophobicContact CD2-CD2 3.85Å; L16-V117 HydrophobicContact CD1-CG1 4.24Å |
| 17 | Q | 90.9 | Very high | 87.1 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -61.5 | -22.1 | 176.5 | -76.1 | 171.5 | -12.4 | 0 | 0 | 113.3 | L13 W15 F19 Q20 C24 D25 | L13-Q17 WeakPolarHBondContact O-CG 3.37Å; L13-Q17 PolarHBondContact O-N 3.38Å; W15-Q17 VanDerWaalsContact C-N 3.27Å; W15-Q17 PolarHBondContact O-N 3.41Å; Q17-F19 PolarHBondContact O-N 3.3Å; Q17-Q20 PolarHBondContact O-N 3.04Å; Q17-C24 VanDerWaalsContact CG-O 3.24Å; Q17-C24 WeakPolarHBondContact CG-O 3.46Å; Q17-C24 PolarHBondContact NE2-O 3.28Å; Q17-D25 PolarHBondContact NE2-O 3.11Å; Q17-D25 VanDerWaalsContact NE2-O 3.1Å |
| 18 | T | 90 | Very high | 87.2 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -66 | -19.3 | 177.4 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | W15 L16 Q20 Q133 L137 | W15-T18 VanDerWaalsContact O-CB 3.3Å; W15-T18 WeakPolarHBondContact O-CB 3.5Å; W15-T18 VanDerWaalsContact O-CG2 3.31Å; W15-T18 WeakPolarHBondContact O-CG2 3.28Å; W15-T18 PolarHBondContact O-N 2.87Å; W15-T18 PolarHBondContact O-OG1 3.47Å; L16-T18 PolarHBondContact O-N 3.33Å; T18-Q20 VanDerWaalsContact C-N 3.3Å; T18-Q20 PolarHBondContact O-N 3.06Å; T18-Q133 PolarHBondContact O-NE2 3.42Å; T18-Q133 PolarHBondContact OG1-NE2 3.35Å; T18-L137 HydrophobicContact CG2-CD2 3.69Å |
| 19 | F | 86.8 | Confident | 87.3 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -78.9 | -9.4 | 177.3 | -69.8 | -99.8 | 0 | 0 | 0 | 114 | W15 L16 Q17 V21 V39 R42 I43 | W15-F19 HydrophobicContact CD2-CE2 4.34Å; W15-F19 AromaticContact CE2-CE2 3.75Å; W15-F19 AromaticContact CH2-CE2 3.93Å; W15-F19 HydrophobicContact CH2-CE2 3.93Å; W15-F19 HydrophobicContact CH2-CZ 4.12Å; W15-F19 AromaticContact CZ2-CE2 3.54Å; W15-F19 HydrophobicContact CZ2-CE2 3.54Å; W15-F19 AromaticContact CZ2-CZ 3.7Å; W15-F19 HydrophobicContact CZ2-CZ 3.7Å; W15-F19 HydrophobicContact CZ3-CE2 4.48Å; L16-F19 WeakPolarHBondContact O-CB 3.16Å; L16-F19 WeakPolarHBondContact O-CD2 3.27Å; L16-F19 PolarHBondContact O-N 3.38Å; L16-F19 VanDerWaalsContact O-N 3.15Å; Q17-F19 PolarHBondContact O-N 3.3Å; F19-V21 VanDerWaalsContact C-N 3.31Å; F19-V21 HydrophobicContact CB-CG2 3.88Å; F19-V21 PolarHBondContact O-N 2.98Å; F19-V39 HydrophobicContact CB-CG2 4.23Å; F19-V39 HydrophobicContact CD1-CG1 4Å; F19-V39 HydrophobicContact CD2-CG1 4.06Å; F19-V39 HydrophobicContact CE1-CG1 3.98Å; F19-V39 HydrophobicContact CE2-CG1 4.06Å; F19-V39 HydrophobicContact CG-CG1 4.01Å; F19-V39 HydrophobicContact CG-CG2 4.37Å; F19-V39 HydrophobicContact CZ-CG1 4.01Å; F19-R42 HydrophobicContact CD1-CB 4Å; F19-R42 HydrophobicContact CE1-CB 4.45Å; F19-I43 HydrophobicContact CE1-CG1 3.82Å; F19-I43 HydrophobicContact CZ-CD1 4.41Å; F19-I43 HydrophobicContact CZ-CG1 4.04Å |
| 20 | Q | 85.1 | Confident | 87.3 | Confident | 174 Ų | 174 | 51.8 Ų | 51.8 | 81% | 0.813 | 28% | 0.277 | S | S | * | . | trans | 53 | 44.9 | 178.2 | -57.4 | 177.3 | 15.6 | 0 | 0 | 113.3 | Q17 T18 | Q17-Q20 PolarHBondContact O-N 3.04Å; T18-Q20 VanDerWaalsContact C-N 3.3Å; T18-Q20 PolarHBondContact O-N 3.06Å | ||
| 21 | V | 85.6 | Confident | 87.4 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | trans | -90 | 147.1 | -179 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | F19 C24 A35 H38 V39 | F19-V21 VanDerWaalsContact C-N 3.31Å; F19-V21 HydrophobicContact CB-CG2 3.88Å; F19-V21 PolarHBondContact O-N 2.98Å; V21-C24 WeakPolarHBondContact O-CB 3.44Å; V21-A35 HydrophobicContact CG1-CB 4.33Å; V21-H38 HydrophobicContact CB-CB 4.41Å; V21-H38 HydrophobicContact CG1-CB 3.28Å; V21-H38 HydrophobicContact CG2-CB 4.2Å; V21-V39 HydrophobicContact CB-CG2 4.23Å; V21-V39 HydrophobicContact CG1-CG2 4.44Å; V21-V39 HydrophobicContact CG2-CG2 3.77Å | ||
| 22 | P | 79.6 | Confident | 87.3 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 140.5 | 176.8 | -22 | 33.2 | 0 | 0 | 0 | 112.4 | ||
| 23 | S | 80.8 | Confident | 87.2 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 47.2 | 175.5 | -50.4 | 0 | 0 | 0 | 0 | 113.6 | D29 A35 | S23-D29 WeakPolarHBondContact O-CB 3.33Å; S23-A35 WeakPolarHBondContact O-CB 3.48Å |
| 24 | C | 84.4 | Confident | 87.2 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | trans | -116.5 | 16.7 | 179.4 | -165.2 | 0 | 0 | 0 | 0 | 113 | Q17 V21 | Q17-C24 VanDerWaalsContact CG-O 3.24Å; Q17-C24 WeakPolarHBondContact CG-O 3.46Å; Q17-C24 PolarHBondContact NE2-O 3.28Å; V21-C24 WeakPolarHBondContact O-CB 3.44Å | ||
| 25 | D | 81.4 | Confident | 87.2 | Confident | 117 Ų | 117 | 46.5 Ų | 46.5 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -81.3 | -37.8 | -173.3 | -61.3 | -42.6 | 0 | 0 | 0 | 112 | Q17 | Q17-D25 PolarHBondContact NE2-O 3.11Å; Q17-D25 VanDerWaalsContact NE2-O 3.1Å |
| 26 | N | 84.9 | Confident | 87.3 | Confident | 99 Ų | 99 | 46.5 Ų | 46.5 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -123.9 | 155.1 | -176.7 | -60.8 | -47.7 | 0 | 0 | 0 | 112.9 | H28 D29 | N26-H28 PolarHBondContact O-N 2.77Å; N26-H28 VanDerWaalsContact O-N 3.14Å; N26-D29 PolarHBondContact N-OD2 2.88Å; N26-D29 VanDerWaalsContact N-OD2 3.12Å; N26-D29 WeakPolarHBondContact O-CB 3.4Å; N26-D29 PolarHBondContact O-N 3.38Å |
| 27 | K | 86.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 21% | 0.213 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -52.8 | -36.3 | 173.2 | -63.8 | 178.5 | -179.8 | 174.1 | 0 | 112.8 | D10 L13 D29 L30 V107 L110 | D10-K27 WeakPolarHBondContact OD1-CE 3.42Å; D10-K27 IonicContact OD1-NZ 3.26Å; D10-K27 PolarHBondContact OD1-NZ 3.28Å; D10-K27 IonicContact OD2-NZ 2.71Å; D10-K27 PolarHBondContact OD2-NZ 3.14Å; L13-K27 HydrophobicContact CD2-CG 3.92Å; K27-D29 VanDerWaalsContact C-N 3.27Å; K27-D29 PolarHBondContact O-N 2.92Å; K27-L30 PolarHBondContact O-N 3.39Å; K27-V107 HydrophobicContact CD-CG1 4.04Å; K27-V107 HydrophobicContact CD-CG2 4.24Å; K27-L110 HydrophobicContact CB-CD2 4.26Å |
| 28 | H | 84.6 | Confident | 87.5 | Confident | 139 Ų | 139 | 45.1 Ų | 45.1 | 64% | 0.644 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.6 | -29.8 | 179.6 | -71 | -60 | 0 | 0 | 0 | 113.1 | N26 L30 T31 | N26-H28 PolarHBondContact O-N 2.77Å; N26-H28 VanDerWaalsContact O-N 3.14Å; H28-L30 VanDerWaalsContact C-N 3.33Å; H28-T31 WeakPolarHBondContact O-CB 3.14Å; H28-T31 PolarHBondContact O-N 3.5Å; H28-T31 PolarHBondContact O-OG1 3.16Å |
| 29 | D | 86.7 | Confident | 87.7 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.2 | -33.2 | -178.3 | -53.7 | -31.9 | 0 | 0 | 0 | 110.8 | S23 N26 K27 T31 S32 | S23-D29 WeakPolarHBondContact O-CB 3.33Å; N26-D29 PolarHBondContact N-OD2 2.88Å; N26-D29 VanDerWaalsContact N-OD2 3.12Å; N26-D29 WeakPolarHBondContact O-CB 3.4Å; N26-D29 PolarHBondContact O-N 3.38Å; K27-D29 VanDerWaalsContact C-N 3.27Å; K27-D29 PolarHBondContact O-N 2.92Å; D29-T31 VanDerWaalsContact C-N 3.28Å; D29-T31 PolarHBondContact O-N 2.86Å; D29-S32 PolarHBondContact O-N 3.45Å; D29-S32 PolarHBondContact O-OG 2.9Å |
| 30 | L | 88.9 | Confident | 88 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -26.1 | 175.3 | -57.2 | -175.2 | 0 | 0 | 0 | 113.5 | L13 L16 K27 H28 S32 G33 A35 I36 L110 L114 | L13-L30 HydrophobicContact CD1-CD1 3.61Å; L13-L30 HydrophobicContact CD1-CG 4.23Å; L16-L30 HydrophobicContact CD2-CD1 4.09Å; L16-L30 HydrophobicContact CD2-CD2 3.6Å; K27-L30 PolarHBondContact O-N 3.39Å; H28-L30 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.81Å; L30-G33 PolarHBondContact O-N 3.45Å; L30-A35 HydrophobicContact CD2-CB 3.77Å; L30-I36 HydrophobicContact CB-CD1 4.47Å; L30-I36 HydrophobicContact CD2-CG1 4.44Å; L30-L110 HydrophobicContact CB-CD1 4.01Å; L30-L110 HydrophobicContact CB-CD2 4.17Å; L30-L110 HydrophobicContact CD1-CD2 4.4Å; L30-L114 HydrophobicContact CD1-CD1 3.79Å; L30-L114 HydrophobicContact CD1-CD2 4.14Å; L30-L114 HydrophobicContact CD1-CG 4.48Å |
| 31 | T | 90.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.6 | 179.5 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | H28 D29 G33 K67 L71 I101 | H28-T31 WeakPolarHBondContact O-CB 3.14Å; H28-T31 PolarHBondContact O-N 3.5Å; H28-T31 PolarHBondContact O-OG1 3.16Å; D29-T31 VanDerWaalsContact C-N 3.28Å; D29-T31 PolarHBondContact O-N 2.86Å; T31-G33 VanDerWaalsContact C-N 3.28Å; T31-K67 WeakPolarHBondContact O-CB 3.47Å; T31-K67 PolarHBondContact OG1-NZ 2.91Å; T31-L71 WeakPolarHBondContact O-CD1 3.27Å; T31-I101 HydrophobicContact CG2-CG2 4.35Å |
| 32 | S | 89.2 | Confident | 88.7 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.6 | 176.2 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | D29 L30 V34 N70 | D29-S32 PolarHBondContact O-N 3.45Å; D29-S32 PolarHBondContact O-OG 2.9Å; L30-S32 PolarHBondContact O-N 2.81Å; S32-V34 PolarHBondContact O-N 3.49Å; S32-V34 PolarHBondContact OG-N 3.3Å; S32-N70 VanDerWaalsContact O-CB 3.31Å; S32-N70 WeakPolarHBondContact O-CB 3.22Å; S32-N70 PolarHBondContact O-ND2 3.45Å |
| 33 | G | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 72.8 | -6.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L30 T31 A37 | L30-G33 PolarHBondContact O-N 3.45Å; T31-G33 VanDerWaalsContact C-N 3.28Å; G33-A37 WeakPolarHBondContact O-CB 3.34Å; G33-A37 PolarHBondContact O-N 2.94Å |
| 34 | V | 91.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.7 | -53.8 | -177.4 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | S32 I36 A37 H38 I56 E58 | S32-V34 PolarHBondContact O-N 3.49Å; S32-V34 PolarHBondContact OG-N 3.3Å; V34-I36 VanDerWaalsContact C-N 3.28Å; V34-I36 PolarHBondContact O-N 3.44Å; V34-A37 WeakPolarHBondContact O-CB 3.44Å; V34-A37 PolarHBondContact O-N 2.95Å; V34-A37 VanDerWaalsContact O-N 3.1Å; V34-H38 PolarHBondContact O-CD2 3.23Å; V34-H38 VanDerWaalsContact O-CD2 3.23Å; V34-H38 PolarHBondContact O-N 3.09Å; V34-I56 HydrophobicContact CG2-CG2 4.06Å; V34-E58 HydrophobicContact CG1-CG 3.66Å; V34-E58 VanDerWaalsContact CG1-OE1 3.28Å; V34-E58 WeakPolarHBondContact CG1-OE1 3.37Å; V34-E58 HydrophobicContact CG2-CG 4.08Å |
| 35 | A | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V21 S23 L30 A37 H38 V39 | V21-A35 HydrophobicContact CG1-CB 4.33Å; S23-A35 WeakPolarHBondContact O-CB 3.48Å; L30-A35 HydrophobicContact CD2-CB 3.77Å; A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 2.92Å; A35-H38 PolarHBondContact O-N 2.98Å; A35-V39 VanDerWaalsContact O-CG2 3.31Å; A35-V39 WeakPolarHBondContact O-CG2 3.06Å; A35-V39 PolarHBondContact O-N 3.45Å |
| 36 | I | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -42 | 176.4 | -60.7 | 175.5 | 0 | 0 | 0 | 111.1 | L30 V34 H38 V39 L40 V74 L110 L113 L114 V117 | L30-I36 HydrophobicContact CB-CD1 4.47Å; L30-I36 HydrophobicContact CD2-CG1 4.44Å; V34-I36 VanDerWaalsContact C-N 3.28Å; V34-I36 PolarHBondContact O-N 3.44Å; I36-H38 PolarHBondContact O-N 2.94Å; I36-V39 PolarHBondContact O-N 2.98Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 2.98Å; I36-V74 HydrophobicContact CG2-CG1 3.76Å; I36-L110 HydrophobicContact CD1-CD1 4.27Å; I36-L113 HydrophobicContact CD1-CD2 3.58Å; I36-L113 HydrophobicContact CD1-CG 4.19Å; I36-L114 HydrophobicContact CD1-CD2 4.01Å; I36-L114 HydrophobicContact CG1-CD2 4.13Å; I36-V117 HydrophobicContact CG2-CG2 3.62Å |
| 37 | A | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G33 V34 A35 V39 L40 H41 W52 L53 I56 V74 | G33-A37 WeakPolarHBondContact O-CB 3.34Å; G33-A37 PolarHBondContact O-N 2.94Å; V34-A37 WeakPolarHBondContact O-CB 3.44Å; V34-A37 PolarHBondContact O-N 2.95Å; V34-A37 VanDerWaalsContact O-N 3.1Å; A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 2.92Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 2.95Å; A37-L40 PolarHBondContact O-N 3.45Å; A37-H41 PolarHBondContact O-N 3.37Å; A37-W52 HydrophobicContact CB-CH2 3.8Å; A37-W52 HydrophobicContact CB-CZ3 4Å; A37-W52 WeakPolarHBondContact O-CZ3 3.38Å; A37-L53 HydrophobicContact CB-CD1 3.77Å; A37-I56 HydrophobicContact CB-CB 4.43Å; A37-I56 HydrophobicContact CB-CG1 3.85Å; A37-I56 HydrophobicContact CB-CG2 4.26Å; A37-V74 HydrophobicContact CB-CG2 4.06Å |
| 38 | H | 92.4 | Very high | 91.3 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 19% | 0.194 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 174.7 | -77.9 | -72.3 | 0 | 0 | 0 | 112.2 | V21 V34 A35 I36 H41 R42 E58 | V21-H38 HydrophobicContact CB-CB 4.41Å; V21-H38 HydrophobicContact CG1-CB 3.28Å; V21-H38 HydrophobicContact CG2-CB 4.2Å; V34-H38 PolarHBondContact O-CD2 3.23Å; V34-H38 VanDerWaalsContact O-CD2 3.23Å; V34-H38 PolarHBondContact O-N 3.09Å; A35-H38 PolarHBondContact O-N 2.98Å; I36-H38 PolarHBondContact O-N 2.94Å; H38-H41 PolarHBondContact O-N 3.46Å; H38-R42 WeakPolarHBondContact O-CG 3.33Å; H38-R42 PolarHBondContact O-N 2.87Å; H38-R42 VanDerWaalsContact O-N 3.12Å; H38-E58 IonicContact CD2-OE1 3.55Å; H38-E58 IonicContact CE1-OE1 3.26Å; H38-E58 IonicContact NE2-OE1 3.46Å; H38-E58 PolarHBondContact NE2-OE1 3.36Å |
| 39 | V | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 173.9 | 174.1 | 0 | 0 | 0 | 0 | 111 | L16 F19 V21 A35 I36 A37 H41 R42 I43 V117 | L16-V39 HydrophobicContact CD1-CB 4.31Å; L16-V39 HydrophobicContact CD1-CG1 3.79Å; L16-V39 HydrophobicContact CD1-CG2 4.03Å; L16-V39 HydrophobicContact CD2-CG2 4.23Å; L16-V39 HydrophobicContact CG-CG1 4.47Å; L16-V39 HydrophobicContact CG-CG2 3.84Å; F19-V39 HydrophobicContact CB-CG2 4.23Å; F19-V39 HydrophobicContact CD1-CG1 4Å; F19-V39 HydrophobicContact CD2-CG1 4.06Å; F19-V39 HydrophobicContact CE1-CG1 3.98Å; F19-V39 HydrophobicContact CE2-CG1 4.06Å; F19-V39 HydrophobicContact CG-CG1 4.01Å; F19-V39 HydrophobicContact CG-CG2 4.37Å; F19-V39 HydrophobicContact CZ-CG1 4.01Å; V21-V39 HydrophobicContact CB-CG2 4.23Å; V21-V39 HydrophobicContact CG1-CG2 4.44Å; V21-V39 HydrophobicContact CG2-CG2 3.77Å; A35-V39 VanDerWaalsContact O-CG2 3.31Å; A35-V39 WeakPolarHBondContact O-CG2 3.06Å; A35-V39 PolarHBondContact O-N 3.45Å; I36-V39 PolarHBondContact O-N 2.98Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 2.95Å; V39-H41 VanDerWaalsContact C-N 3.3Å; V39-H41 PolarHBondContact O-N 3.21Å; V39-R42 WeakPolarHBondContact O-CA 3.44Å; V39-R42 WeakPolarHBondContact O-CB 3.47Å; V39-R42 PolarHBondContact O-N 3.31Å; V39-I43 HydrophobicContact CG1-CD1 3.85Å; V39-I43 HydrophobicContact CG1-CG1 4.34Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 2.67Å; V39-V117 HydrophobicContact CG1-CG1 4.04Å |
| 40 | L | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 177 | -72 | 166.8 | 0 | 0 | 0 | 112.1 | I36 A37 R42 I43 D44 F48 W52 V74 M78 V117 C120 | I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 2.98Å; A37-L40 PolarHBondContact O-N 3.45Å; L40-R42 VanDerWaalsContact C-N 3.28Å; L40-R42 PolarHBondContact O-N 2.91Å; L40-I43 HydrophobicContact CD2-CD1 4.28Å; L40-I43 PolarHBondContact O-N 3.36Å; L40-D44 PolarHBondContact O-N 3.11Å; L40-D44 VanDerWaalsContact O-N 3.08Å; L40-F48 HydrophobicContact CB-CB 4.33Å; L40-F48 HydrophobicContact CB-CD1 3.94Å; L40-F48 HydrophobicContact CB-CD2 3.9Å; L40-F48 HydrophobicContact CB-CE1 4.18Å; L40-F48 HydrophobicContact CB-CE2 4.15Å; L40-F48 HydrophobicContact CB-CG 3.79Å; L40-F48 HydrophobicContact CB-CZ 4.28Å; L40-F48 HydrophobicContact CD1-CD1 4.5Å; L40-F48 HydrophobicContact CD1-CE1 4.13Å; L40-F48 HydrophobicContact CD1-CZ 4.41Å; L40-F48 HydrophobicContact CD2-CE1 4.38Å; L40-F48 HydrophobicContact CD2-CE2 3.93Å; L40-F48 HydrophobicContact CD2-CZ 3.85Å; L40-F48 HydrophobicContact CG-CE1 4.47Å; L40-F48 HydrophobicContact CG-CZ 4.41Å; L40-F48 VanDerWaalsContact O-CD2 3.27Å; L40-F48 WeakPolarHBondContact O-CD2 3.49Å; L40-W52 HydrophobicContact CB-CH2 4.07Å; L40-W52 HydrophobicContact CB-CZ3 4.31Å; L40-W52 HydrophobicContact CD1-CH2 3.93Å; L40-V74 HydrophobicContact CD1-CG1 3.72Å; L40-M78 HydrophobicContact CD1-CG 3.63Å; L40-M78 HydrophobicContact CD1-SD 3.71Å; L40-M78 HydrophobicContact CD2-CG 3.99Å; L40-M78 HydrophobicContact CD2-SD 4.24Å; L40-M78 HydrophobicContact CG-CG 4.49Å; L40-V117 HydrophobicContact CD2-CG1 4.09Å; L40-V117 HydrophobicContact CD2-CG2 4.33Å; L40-V117 HydrophobicContact CG-CG1 4.48Å; L40-C120 HydrophobicContact CD2-CB 4.42Å |
| 41 | H | 93.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -36.9 | 172.2 | 178.9 | 63 | 0 | 0 | 0 | 112.6 | A37 H38 V39 D44 P45 F48 L53 | A37-H41 PolarHBondContact O-N 3.37Å; H38-H41 PolarHBondContact O-N 3.46Å; V39-H41 VanDerWaalsContact C-N 3.3Å; V39-H41 PolarHBondContact O-N 3.21Å; H41-D44 CarbonylContact O-C 3.53Å; H41-P45 WeakPolarHBondContact O-CA 3.45Å; H41-P45 WeakPolarHBondContact O-CD 3.43Å; H41-P45 VanDerWaalsContact O-CG 3.26Å; H41-P45 WeakPolarHBondContact O-CG 3.49Å; H41-F48 PolarHBondContact ND1-O 2.9Å; H41-L53 HydrophobicContact CB-CD2 4.25Å |
| 42 | R | 90.8 | Very high | 92.5 | Very high | 162 Ų | 162 | 41.2 Ų | 41.2 | 61% | 0.611 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72.3 | -35.2 | 175.8 | -68.6 | -73.9 | -174.2 | 143.9 | 3.7 | 113 | F19 H38 V39 L40 | F19-R42 HydrophobicContact CD1-CB 4Å; F19-R42 HydrophobicContact CE1-CB 4.45Å; H38-R42 WeakPolarHBondContact O-CG 3.33Å; H38-R42 PolarHBondContact O-N 2.87Å; H38-R42 VanDerWaalsContact O-N 3.12Å; V39-R42 WeakPolarHBondContact O-CA 3.44Å; V39-R42 WeakPolarHBondContact O-CB 3.47Å; V39-R42 PolarHBondContact O-N 3.31Å; L40-R42 VanDerWaalsContact C-N 3.28Å; L40-R42 PolarHBondContact O-N 2.91Å |
| 43 | I | 91.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -52.6 | 178 | -71.1 | 164.8 | 0 | 0 | 0 | 109.7 | F19 V39 L40 V117 A121 C124 | F19-I43 HydrophobicContact CE1-CG1 3.82Å; F19-I43 HydrophobicContact CZ-CD1 4.41Å; F19-I43 HydrophobicContact CZ-CG1 4.04Å; V39-I43 HydrophobicContact CG1-CD1 3.85Å; V39-I43 HydrophobicContact CG1-CG1 4.34Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 2.67Å; L40-I43 HydrophobicContact CD2-CD1 4.28Å; L40-I43 PolarHBondContact O-N 3.36Å; I43-V117 HydrophobicContact CD1-CG1 3.81Å; I43-A121 HydrophobicContact CD1-CB 3.77Å; I43-A121 HydrophobicContact CG1-CB 4.01Å; I43-A121 HydrophobicContact CG2-CB 4.41Å; I43-C124 HydrophobicContact CG2-CB 4.01Å |
| 44 | D | 91.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | trans | -144.5 | 91.5 | -179.2 | -167.5 | -15.7 | 0 | 0 | 0 | 111.5 | L40 H41 S46 W47 F48 Y81 | L40-D44 PolarHBondContact O-N 3.11Å; L40-D44 VanDerWaalsContact O-N 3.08Å; H41-D44 CarbonylContact O-C 3.53Å; D44-S46 PolarHBondContact O-N 2.91Å; D44-S46 WeakPolarHBondContact OD1-CB 3.29Å; D44-S46 PolarHBondContact OD1-N 2.86Å; D44-S46 PolarHBondContact OD1-OG 3.21Å; D44-W47 PolarHBondContact O-N 2.87Å; D44-F48 HydrophobicContact CB-CD2 4.29Å; D44-F48 PolarHBondContact O-N 2.88Å; D44-Y81 HydrophobicContact CB-CE2 4.42Å; D44-Y81 WeakPolarHBondContact OD2-CE2 3.47Å; D44-Y81 PolarHBondContact OD2-OH 3.2Å | ||
| 45 | P | 91.6 | Very high | 92.7 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.9 | 178.5 | -18.8 | 28.5 | 0 | 0 | 0 | 113.9 | H41 N49 | H41-P45 WeakPolarHBondContact O-CA 3.45Å; H41-P45 WeakPolarHBondContact O-CD 3.43Å; H41-P45 VanDerWaalsContact O-CG 3.26Å; H41-P45 WeakPolarHBondContact O-CG 3.49Å; P45-N49 WeakPolarHBondContact O-CA 3.38Å; P45-N49 WeakPolarHBondContact O-CB 3.41Å |
| 46 | S | 90.8 | Very high | 92.7 | Very high | 92 Ų | 92 | 52 Ų | 52 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -42.3 | -178.1 | 77.3 | 0 | 0 | 0 | 0 | 111.3 | D44 | D44-S46 PolarHBondContact O-N 2.91Å; D44-S46 WeakPolarHBondContact OD1-CB 3.29Å; D44-S46 PolarHBondContact OD1-N 2.86Å; D44-S46 PolarHBondContact OD1-OG 3.21Å |
| 47 | W | 93.1 | Very high | 92.5 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -55.6 | 176.7 | -174.5 | -102.7 | 0 | 0 | 0 | 112.1 | D44 N49 S77 E80 Y81 D84 V85 | D44-W47 PolarHBondContact O-N 2.87Å; W47-N49 PolarHBondContact O-N 3.41Å; W47-S77 PolarHBondContact NE1-O 3.43Å; W47-E80 HydrophobicContact CZ2-CB 3.9Å; W47-Y81 HydrophobicContact CB-CD2 3.84Å; W47-Y81 HydrophobicContact CB-CE2 3.87Å; W47-Y81 AromaticContact CD1-CD2 3.41Å; W47-Y81 VanDerWaalsContact CD1-CD2 3.41Å; W47-Y81 AromaticContact CD2-CD2 3.94Å; W47-Y81 HydrophobicContact CD2-CD2 3.94Å; W47-Y81 AromaticContact CG-CD2 3.46Å; W47-Y81 HydrophobicContact CG-CD2 3.46Å; W47-Y81 VanDerWaalsContact CG-CD2 3.46Å; W47-Y81 HydrophobicContact CG-CE2 4.02Å; W47-Y81 HydrophobicContact CG-CG 4.47Å; W47-Y81 AromaticContact NE1-CD2 3.83Å; W47-D84 HydrophobicContact CH2-CB 4.24Å; W47-V85 HydrophobicContact CD2-CG2 4.3Å; W47-V85 HydrophobicContact CE3-CG2 4.01Å; W47-V85 HydrophobicContact CZ3-CG2 4.26Å |
| 48 | F | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84.5 | 54.9 | -179.4 | -61.2 | -72.6 | 0 | 0 | 0 | 110.5 | L40 H41 D44 W52 M78 Y81 | L40-F48 HydrophobicContact CB-CB 4.33Å; L40-F48 HydrophobicContact CB-CD1 3.94Å; L40-F48 HydrophobicContact CB-CD2 3.9Å; L40-F48 HydrophobicContact CB-CE1 4.18Å; L40-F48 HydrophobicContact CB-CE2 4.15Å; L40-F48 HydrophobicContact CB-CG 3.79Å; L40-F48 HydrophobicContact CB-CZ 4.28Å; L40-F48 HydrophobicContact CD1-CD1 4.5Å; L40-F48 HydrophobicContact CD1-CE1 4.13Å; L40-F48 HydrophobicContact CD1-CZ 4.41Å; L40-F48 HydrophobicContact CD2-CE1 4.38Å; L40-F48 HydrophobicContact CD2-CE2 3.93Å; L40-F48 HydrophobicContact CD2-CZ 3.85Å; L40-F48 HydrophobicContact CG-CE1 4.47Å; L40-F48 HydrophobicContact CG-CZ 4.41Å; L40-F48 VanDerWaalsContact O-CD2 3.27Å; L40-F48 WeakPolarHBondContact O-CD2 3.49Å; H41-F48 PolarHBondContact ND1-O 2.9Å; D44-F48 HydrophobicContact CB-CD2 4.29Å; D44-F48 PolarHBondContact O-N 2.88Å; F48-W52 HydrophobicContact CB-CE3 3.82Å; F48-W52 HydrophobicContact CB-CZ3 3.78Å; F48-W52 HydrophobicContact CD1-CD2 4.13Å; F48-W52 AromaticContact CD1-CE3 3.96Å; F48-W52 HydrophobicContact CD1-CE3 3.96Å; F48-W52 AromaticContact CD1-CH2 3.57Å; F48-W52 HydrophobicContact CD1-CH2 3.57Å; F48-W52 AromaticContact CD1-CZ2 3.74Å; F48-W52 HydrophobicContact CD1-CZ2 3.74Å; F48-W52 AromaticContact CD1-CZ3 3.69Å; F48-W52 HydrophobicContact CD1-CZ3 3.69Å; F48-W52 HydrophobicContact CE1-CH2 4.2Å; F48-W52 HydrophobicContact CE1-CZ2 4.15Å; F48-W52 HydrophobicContact CG-CE3 4.38Å; F48-W52 HydrophobicContact CG-CH2 4.37Å; F48-W52 HydrophobicContact CG-CZ3 4.12Å; F48-M78 HydrophobicContact CE1-CG 4.4Å; F48-M78 HydrophobicContact CZ-CG 4.25Å; F48-Y81 HydrophobicContact CE2-CD1 4.49Å; F48-Y81 HydrophobicContact CE2-CD2 4.21Å; F48-Y81 HydrophobicContact CE2-CG 4.17Å; F48-Y81 HydrophobicContact CZ-CG 4.19Å |
| 49 | N | 92.9 | Very high | 90.6 | Very high | 58 Ų | 58 | 68 Ų | 68 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | trans | -69 | 172.1 | -172 | 64.4 | 41.7 | 0 | 0 | 0 | 114.4 | P45 W47 T51 W52 L53 | P45-N49 WeakPolarHBondContact O-CA 3.38Å; P45-N49 WeakPolarHBondContact O-CB 3.41Å; W47-N49 PolarHBondContact O-N 3.41Å; N49-T51 PolarHBondContact O-N 3.15Å; N49-T51 VanDerWaalsContact O-N 3.15Å; N49-T51 WeakPolarHBondContact OD1-CB 3.44Å; N49-T51 PolarHBondContact OD1-N 3.34Å; N49-T51 VanDerWaalsContact OD1-N 3.07Å; N49-T51 PolarHBondContact OD1-OG1 2.76Å; N49-W52 WeakPolarHBondContact O-CB 3.46Å; N49-W52 PolarHBondContact O-N 3.34Å; N49-W52 PolarHBondContact OD1-N 2.91Å; N49-L53 PolarHBondContact O-N 2.92Å | ||
| 50 | E | 93.2 | Very high | 89 | Confident | 155 Ų | 155 | 74.4 Ų | 74.4 | 72% | 0.724 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -56.8 | -32.2 | 179.8 | -69.5 | -171 | 166.4 | 0 | 0 | 113.2 | W52 L53 G54 | E50-W52 VanDerWaalsContact C-N 3.34Å; E50-W52 PolarHBondContact O-N 3.45Å; E50-L53 PolarHBondContact O-N 3.43Å; E50-G54 PolarHBondContact O-N 2.97Å |
| 51 | T | 92.8 | Very high | 87.2 | Confident | 96 Ų | 96 | 82.2 Ų | 82.2 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.2 | -32.4 | 179.2 | 76.1 | 0 | 0 | 0 | 0 | 112.5 | N49 R55 | N49-T51 PolarHBondContact O-N 3.15Å; N49-T51 VanDerWaalsContact O-N 3.15Å; N49-T51 WeakPolarHBondContact OD1-CB 3.44Å; N49-T51 PolarHBondContact OD1-N 3.34Å; N49-T51 VanDerWaalsContact OD1-N 3.07Å; N49-T51 PolarHBondContact OD1-OG1 2.76Å; T51-R55 WeakPolarHBondContact O-CG 3.29Å |
| 52 | W | 95.4 | Very high | 85.9 | Confident | 14 Ų | 14 | 84.9 Ų | 84.9 | 5% | 0.053 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -73.7 | -46.4 | 172.7 | 169.9 | 86.5 | 0 | 0 | 0 | 110.8 | A37 L40 F48 N49 E50 G54 R55 V74 S77 | A37-W52 HydrophobicContact CB-CH2 3.8Å; A37-W52 HydrophobicContact CB-CZ3 4Å; A37-W52 WeakPolarHBondContact O-CZ3 3.38Å; L40-W52 HydrophobicContact CB-CH2 4.07Å; L40-W52 HydrophobicContact CB-CZ3 4.31Å; L40-W52 HydrophobicContact CD1-CH2 3.93Å; F48-W52 HydrophobicContact CB-CE3 3.82Å; F48-W52 HydrophobicContact CB-CZ3 3.78Å; F48-W52 HydrophobicContact CD1-CD2 4.13Å; F48-W52 AromaticContact CD1-CE3 3.96Å; F48-W52 HydrophobicContact CD1-CE3 3.96Å; F48-W52 AromaticContact CD1-CH2 3.57Å; F48-W52 HydrophobicContact CD1-CH2 3.57Å; F48-W52 AromaticContact CD1-CZ2 3.74Å; F48-W52 HydrophobicContact CD1-CZ2 3.74Å; F48-W52 AromaticContact CD1-CZ3 3.69Å; F48-W52 HydrophobicContact CD1-CZ3 3.69Å; F48-W52 HydrophobicContact CE1-CH2 4.2Å; F48-W52 HydrophobicContact CE1-CZ2 4.15Å; F48-W52 HydrophobicContact CG-CE3 4.38Å; F48-W52 HydrophobicContact CG-CH2 4.37Å; F48-W52 HydrophobicContact CG-CZ3 4.12Å; N49-W52 WeakPolarHBondContact O-CB 3.46Å; N49-W52 PolarHBondContact O-N 3.34Å; N49-W52 PolarHBondContact OD1-N 2.91Å; E50-W52 VanDerWaalsContact C-N 3.34Å; E50-W52 PolarHBondContact O-N 3.45Å; W52-G54 VanDerWaalsContact C-N 3.27Å; W52-G54 PolarHBondContact O-N 2.88Å; W52-R55 VanDerWaalsContact O-CB 3.28Å; W52-R55 WeakPolarHBondContact O-CB 3.26Å; W52-R55 PolarHBondContact O-N 3.3Å; W52-V74 HydrophobicContact CZ2-CG2 4.36Å; W52-S77 VanDerWaalsContact NE1-CB 3.27Å; W52-S77 PolarHBondContact NE1-OG 3.22Å |
| 53 | L | 92.7 | Very high | 85.7 | Confident | 29 Ų | 29 | 80.4 Ų | 80.4 | 15% | 0.152 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 178.4 | -172.6 | 62.9 | 0 | 0 | 0 | 111.3 | A37 H41 N49 E50 R55 I56 | A37-L53 HydrophobicContact CB-CD1 3.77Å; H41-L53 HydrophobicContact CB-CD2 4.25Å; N49-L53 PolarHBondContact O-N 2.92Å; E50-L53 PolarHBondContact O-N 3.43Å; L53-R55 PolarHBondContact O-N 3.47Å; L53-R55 VanDerWaalsContact O-N 3.09Å; L53-I56 WeakPolarHBondContact O-CB 3.37Å; L53-I56 PolarHBondContact O-N 2.95Å |
| 54 | G | 90.4 | Very high | 85.6 | Confident | 68 Ų | 68 | 84.7 Ų | 84.7 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | E50 W52 | E50-G54 PolarHBondContact O-N 2.97Å; W52-G54 VanDerWaalsContact C-N 3.27Å; W52-G54 PolarHBondContact O-N 2.88Å |
| 55 | R | 92.3 | Very high | 85.5 | Confident | 156 Ų | 156 | 91.9 Ų | 91.9 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -16.4 | 172.4 | -58.3 | 175.5 | -169.8 | 174.6 | 2.6 | 112.5 | T51 W52 L53 K73 | T51-R55 WeakPolarHBondContact O-CG 3.29Å; W52-R55 VanDerWaalsContact O-CB 3.28Å; W52-R55 WeakPolarHBondContact O-CB 3.26Å; W52-R55 PolarHBondContact O-N 3.3Å; L53-R55 PolarHBondContact O-N 3.47Å; L53-R55 VanDerWaalsContact O-N 3.09Å; R55-K73 PolarHBondContact O-NZ 3.38Å |
| 56 | I | 92.3 | Very high | 85.5 | Confident | 15 Ų | 15 | 90.4 Ų | 90.4 | 8% | 0.077 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -83.9 | 121.1 | 175.8 | -52.9 | -58.2 | 0 | 0 | 0 | 107.2 | V34 A37 L53 N70 K73 V74 | V34-I56 HydrophobicContact CG2-CG2 4.06Å; A37-I56 HydrophobicContact CB-CB 4.43Å; A37-I56 HydrophobicContact CB-CG1 3.85Å; A37-I56 HydrophobicContact CB-CG2 4.26Å; L53-I56 WeakPolarHBondContact O-CB 3.37Å; L53-I56 PolarHBondContact O-N 2.95Å; I56-N70 HydrophobicContact CG2-CB 4.19Å; I56-K73 HydrophobicContact CD1-CB 3.8Å; I56-K73 HydrophobicContact CD1-CD 3.99Å; I56-V74 HydrophobicContact CD1-CG2 4.13Å |
| 57 | K | 88.4 | Confident | 85.5 | Confident | 123 Ų | 123 | 88.8 Ų | 88.8 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | trans | -92.4 | 128.4 | -175.6 | -67.7 | -174.5 | 173.8 | -172 | 0 | 110.2 | L66 N70 | K57-L66 HydrophobicContact CB-CD1 4.15Å; K57-L66 HydrophobicContact CB-CD2 4.3Å; K57-L66 HydrophobicContact CD-CD1 4.09Å; K57-N70 PolarHBondContact N-OD1 3.38Å; K57-N70 PolarHBondContact O-ND2 2.97Å | ||
| 58 | E | 81.3 | Confident | 85.5 | Confident | 130 Ų | 130 | 85 Ų | 85 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | trans | -92.1 | 113.4 | 170.2 | -59.5 | -171.6 | 169.7 | 0 | 0 | 109 | V34 H38 | V34-E58 HydrophobicContact CG1-CG 3.66Å; V34-E58 VanDerWaalsContact CG1-OE1 3.28Å; V34-E58 WeakPolarHBondContact CG1-OE1 3.37Å; V34-E58 HydrophobicContact CG2-CG 4.08Å; H38-E58 IonicContact CD2-OE1 3.55Å; H38-E58 IonicContact CE1-OE1 3.26Å; H38-E58 IonicContact NE2-OE1 3.46Å; H38-E58 PolarHBondContact NE2-OE1 3.36Å | ||
| 59 | E | 66.8 | Low | 85.4 | Confident | 126 Ų | 126 | 87.4 Ų | 87.4 | 59% | 0.589 | 46% | 0.455 | S | S | * | . | trans | -133.8 | 141 | 171.2 | -91.3 | 179.5 | -173.3 | 0 | 0 | 110 | E61 L66 | E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 2.99Å; E59-L66 HydrophobicContact CB-CD2 3.82Å; E59-L66 HydrophobicContact CG-CD2 4.2Å; E59-L66 WeakPolarHBondContact OE2-CD2 3.48Å | ||
| 60 | S | 58.7 | Low | 85.5 | Confident | 135 Ų | 135 | 84.8 Ų | 84.8 | 94% | 0.944 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -83 | -1.3 | -174 | -53 | 0 | 0 | 0 | 0 | 114.9 | ||
| 61 | E | 55.6 | Low | 85.5 | Confident | 164 Ų | 164 | 77.4 Ų | 77.4 | 77% | 0.766 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -103.3 | 148.3 | -178.7 | -69.5 | -172 | 171.8 | 0 | 0 | 112 | E59 N63 | E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 2.99Å; E61-N63 PolarHBondContact O-N 3.19Å |
| 62 | A | 67.8 | Low | 85.6 | Confident | 94 Ų | 94 | 78 Ų | 78 | 78% | 0.777 | 40% | 0.401 | S | S | * | . | trans | -68.7 | 46.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W64 | A62-W64 PolarHBondContact O-N 3.43Š| ||
| 63 | N | 87.2 | Confident | 85.6 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | trans | -80.1 | 87 | 177.4 | -171.1 | -5.9 | 0 | 0 | 0 | 110.1 | E61 R65 L66 K67 | E61-N63 PolarHBondContact O-N 3.19Å; N63-R65 PolarHBondContact O-N 2.95Å; N63-R65 VanDerWaalsContact O-N 3.1Å; N63-R65 WeakPolarHBondContact OD1-CB 3.28Å; N63-R65 PolarHBondContact OD1-N 3.44Å; N63-L66 HydrophobicContact CB-CB 4.12Å; N63-L66 WeakPolarHBondContact O-CB 3.44Å; N63-L66 PolarHBondContact O-N 2.93Å; N63-K67 PolarHBondContact O-N 2.96Å; N63-K67 VanDerWaalsContact O-N 3.16Å | ||
| 64 | W | 88.6 | Confident | 85.7 | Confident | 95 Ų | 95 | 79.1 Ų | 79.1 | 36% | 0.36 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -53.4 | -31.7 | 178.3 | 69.7 | -100.2 | 0 | 0 | 0 | 112.7 | A62 L66 K67 V68 G102 E103 | A62-W64 PolarHBondContact O-N 3.43Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.47Å; W64-K67 WeakPolarHBondContact O-CB 3.3Å; W64-K67 PolarHBondContact O-N 2.93Å; W64-V68 HydrophobicContact CE3-CG2 3.98Å; W64-V68 HydrophobicContact CZ3-CG2 4.34Å; W64-V68 WeakPolarHBondContact O-CG2 3.39Å; W64-V68 PolarHBondContact O-N 3.24Å; W64-G102 WeakPolarHBondContact CB-O 3.44Å; W64-E103 HydrophobicContact CD2-CG 3.82Å; W64-E103 HydrophobicContact CE3-CG 3.26Å; W64-E103 HydrophobicContact CG-CG 4.48Å; W64-E103 HydrophobicContact CH2-CG 4.18Å; W64-E103 VanDerWaalsContact CH2-OE1 3.31Å; W64-E103 WeakPolarHBondContact CH2-OE1 3.49Å; W64-E103 HydrophobicContact CZ3-CG 3.48Å; W64-E103 VanDerWaalsContact CZ3-CG 3.48Å; W64-E103 WeakPolarHBondContact CZ3-OE1 3.5Å |
| 65 | R | 90.2 | Very high | 86 | Confident | 166 Ų | 166 | 76.9 Ų | 76.9 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 177.7 | -66 | -173.2 | 173.1 | 95.9 | 0.4 | 112 | N63 S69 | N63-R65 PolarHBondContact O-N 2.95Å; N63-R65 VanDerWaalsContact O-N 3.1Å; N63-R65 WeakPolarHBondContact OD1-CB 3.28Å; N63-R65 PolarHBondContact OD1-N 3.44Å; R65-S69 WeakPolarHBondContact O-CB 3.49Å; R65-S69 PolarHBondContact O-N 3.04Å |
| 66 | L | 90.3 | Very high | 86.1 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 175.7 | -174.7 | 63.6 | 0 | 0 | 0 | 110.8 | K57 E59 N63 W64 V68 S69 N70 | K57-L66 HydrophobicContact CB-CD1 4.15Å; K57-L66 HydrophobicContact CB-CD2 4.3Å; K57-L66 HydrophobicContact CD-CD1 4.09Å; E59-L66 HydrophobicContact CB-CD2 3.82Å; E59-L66 HydrophobicContact CG-CD2 4.2Å; E59-L66 WeakPolarHBondContact OE2-CD2 3.48Å; N63-L66 HydrophobicContact CB-CB 4.12Å; N63-L66 WeakPolarHBondContact O-CB 3.44Å; N63-L66 PolarHBondContact O-N 2.93Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.47Å; L66-V68 PolarHBondContact O-N 2.96Å; L66-S69 WeakPolarHBondContact O-CB 3.39Å; L66-S69 PolarHBondContact O-N 3.43Å; L66-S69 VanDerWaalsContact O-N 3.09Å; L66-N70 PolarHBondContact O-N 2.93Å |
| 67 | K | 90.7 | Very high | 86.2 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -54.3 | -51.6 | 172.9 | -62 | -169.4 | 174.7 | -171.6 | 0 | 111.3 | T31 N63 W64 S69 N70 L71 | T31-K67 WeakPolarHBondContact O-CB 3.47Å; T31-K67 PolarHBondContact OG1-NZ 2.91Å; N63-K67 PolarHBondContact O-N 2.96Å; N63-K67 VanDerWaalsContact O-N 3.16Å; W64-K67 WeakPolarHBondContact O-CB 3.3Å; W64-K67 PolarHBondContact O-N 2.93Å; K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 3.43Å; K67-N70 PolarHBondContact O-N 3.18Å; K67-L71 WeakPolarHBondContact O-CB 3.48Å; K67-L71 VanDerWaalsContact O-CG 3.27Å; K67-L71 WeakPolarHBondContact O-CG 3.41Å; K67-L71 PolarHBondContact O-N 3.35Å |
| 68 | V | 92.9 | Very high | 86.5 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | W64 L66 L71 K72 N99 | W64-V68 HydrophobicContact CE3-CG2 3.98Å; W64-V68 HydrophobicContact CZ3-CG2 4.34Å; W64-V68 WeakPolarHBondContact O-CG2 3.39Å; W64-V68 PolarHBondContact O-N 3.24Å; L66-V68 PolarHBondContact O-N 2.96Å; V68-L71 PolarHBondContact O-N 2.81Å; V68-K72 HydrophobicContact CG1-CD 4.06Å; V68-K72 HydrophobicContact CG1-CG 4.41Å; V68-K72 WeakPolarHBondContact O-CB 3.31Å; V68-K72 VanDerWaalsContact O-CG 3.29Å; V68-K72 WeakPolarHBondContact O-CG 3.44Å; V68-K72 PolarHBondContact O-N 3.3Å; V68-N99 WeakPolarHBondContact CG1-OD1 3.44Å |
| 69 | S | 93.6 | Very high | 87 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 112.6 | R65 L66 K67 K73 | R65-S69 WeakPolarHBondContact O-CB 3.49Å; R65-S69 PolarHBondContact O-N 3.04Å; L66-S69 WeakPolarHBondContact O-CB 3.39Å; L66-S69 PolarHBondContact O-N 3.43Å; L66-S69 VanDerWaalsContact O-N 3.09Å; K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 3.43Å; S69-K73 WeakPolarHBondContact O-CG 3.48Å; S69-K73 PolarHBondContact O-N 2.86Å |
| 70 | N | 93.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 176 | -75 | -11.5 | 0 | 0 | 0 | 111 | S32 I56 K57 L66 K67 K72 K73 V74 | S32-N70 VanDerWaalsContact O-CB 3.31Å; S32-N70 WeakPolarHBondContact O-CB 3.22Å; S32-N70 PolarHBondContact O-ND2 3.45Å; I56-N70 HydrophobicContact CG2-CB 4.19Å; K57-N70 PolarHBondContact N-OD1 3.38Å; K57-N70 PolarHBondContact O-ND2 2.97Å; L66-N70 PolarHBondContact O-N 2.93Å; K67-N70 PolarHBondContact O-N 3.18Å; N70-K72 VanDerWaalsContact C-N 3.29Å; N70-K72 PolarHBondContact O-N 3Å; N70-K73 WeakPolarHBondContact O-CB 3.44Å; N70-K73 PolarHBondContact O-N 3.24Å; N70-V74 WeakPolarHBondContact O-CG2 3.41Å; N70-V74 PolarHBondContact O-N 3.36Å |
| 71 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 177.6 | -68.5 | 170.4 | 0 | 0 | 0 | 112.3 | T31 K67 V68 K73 V74 L75 V98 I101 L113 | T31-L71 WeakPolarHBondContact O-CD1 3.27Å; K67-L71 WeakPolarHBondContact O-CB 3.48Å; K67-L71 VanDerWaalsContact O-CG 3.27Å; K67-L71 WeakPolarHBondContact O-CG 3.41Å; K67-L71 PolarHBondContact O-N 3.35Å; V68-L71 PolarHBondContact O-N 2.81Å; L71-K73 PolarHBondContact O-N 3.45Å; L71-V74 PolarHBondContact O-N 3.39Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 PolarHBondContact O-N 2.87Å; L71-V98 HydrophobicContact CB-CB 3.85Å; L71-V98 HydrophobicContact CB-CG1 3.9Å; L71-I101 HydrophobicContact CD1-CB 3.84Å; L71-I101 HydrophobicContact CD1-CG2 3.6Å; L71-L113 HydrophobicContact CD2-CD2 3.65Å |
| 72 | K | 94.9 | Very high | 91.6 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62 | -40.3 | 173 | -79.9 | 177.9 | -178.8 | 172.8 | 0 | 112.5 | V68 N70 K76 V98 N99 | V68-K72 HydrophobicContact CG1-CD 4.06Å; V68-K72 HydrophobicContact CG1-CG 4.41Å; V68-K72 WeakPolarHBondContact O-CB 3.31Å; V68-K72 VanDerWaalsContact O-CG 3.29Å; V68-K72 WeakPolarHBondContact O-CG 3.44Å; V68-K72 PolarHBondContact O-N 3.3Å; N70-K72 VanDerWaalsContact C-N 3.29Å; N70-K72 PolarHBondContact O-N 3Å; K72-K76 WeakPolarHBondContact O-CB 3.28Å; K72-K76 PolarHBondContact O-N 3.08Å; K72-V98 HydrophobicContact CD-CG2 4.44Å; K72-V98 HydrophobicContact CG-CG2 3.57Å; K72-N99 WeakPolarHBondContact CE-OD1 3.28Å; K72-N99 PolarHBondContact NZ-OD1 3Å |
| 73 | K | 94.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 29% | 0.291 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.9 | -67.7 | 167.3 | -176.1 | 168.2 | 0 | 111.2 | R55 I56 S69 N70 L71 S77 | R55-K73 PolarHBondContact O-NZ 3.38Å; I56-K73 HydrophobicContact CD1-CB 3.8Å; I56-K73 HydrophobicContact CD1-CD 3.99Å; S69-K73 WeakPolarHBondContact O-CG 3.48Å; S69-K73 PolarHBondContact O-N 2.86Å; N70-K73 WeakPolarHBondContact O-CB 3.44Å; N70-K73 PolarHBondContact O-N 3.24Å; L71-K73 PolarHBondContact O-N 3.45Å; K73-S77 PolarHBondContact O-N 2.93Å; K73-S77 VanDerWaalsContact O-N 3.07Å; K73-S77 PolarHBondContact O-OG 3Å |
| 74 | V | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -56.3 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I36 A37 L40 W52 I56 N70 L71 K76 S77 M78 | I36-V74 HydrophobicContact CG2-CG1 3.76Å; A37-V74 HydrophobicContact CB-CG2 4.06Å; L40-V74 HydrophobicContact CD1-CG1 3.72Å; W52-V74 HydrophobicContact CZ2-CG2 4.36Å; I56-V74 HydrophobicContact CD1-CG2 4.13Å; N70-V74 WeakPolarHBondContact O-CG2 3.41Å; N70-V74 PolarHBondContact O-N 3.36Å; L71-V74 PolarHBondContact O-N 3.39Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 3.01Å; V74-S77 PolarHBondContact O-N 3.48Å; V74-M78 HydrophobicContact CG1-CG 4.49Å; V74-M78 HydrophobicContact CG1-SD 3.78Å; V74-M78 VanDerWaalsContact O-CG 3.31Å; V74-M78 WeakPolarHBondContact O-CG 3.48Å; V74-M78 PolarHBondContact O-N 3.1Å |
| 75 | L | 95.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 179.8 | 179.5 | 61.8 | 0 | 0 | 0 | 111.5 | L71 S77 M78 L79 P96 V98 L113 L116 | L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 PolarHBondContact O-N 2.87Å; L75-S77 PolarHBondContact O-N 2.69Å; L75-M78 PolarHBondContact O-N 3.15Å; L75-L79 HydrophobicContact CD1-CD1 4.12Å; L75-L79 HydrophobicContact CD1-CD2 4.48Å; L75-L79 HydrophobicContact CD1-CG 4.06Å; L75-L79 HydrophobicContact CG-CD1 4.02Å; L75-L79 HydrophobicContact CG-CG 4.36Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 2.75Å; L75-P96 HydrophobicContact CD1-CG 3.81Å; L75-P96 HydrophobicContact CD2-CG 4.23Å; L75-V98 HydrophobicContact CB-CG1 4.12Å; L75-V98 HydrophobicContact CD2-CG1 3.75Å; L75-L113 HydrophobicContact CD1-CD1 4.37Å; L75-L116 HydrophobicContact CD1-CD1 4.03Å |
| 76 | K | 94.8 | Very high | 92.5 | Very high | 127 Ų | 127 | 45.3 Ų | 45.3 | 55% | 0.552 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -57.9 | -51.8 | 178.3 | 178.8 | 175.7 | 171.9 | 175.5 | 0 | 111.8 | K72 V74 M78 L79 E80 | K72-K76 WeakPolarHBondContact O-CB 3.28Å; K72-K76 PolarHBondContact O-N 3.08Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 3.01Å; K76-M78 VanDerWaalsContact C-N 3.29Å; K76-M78 PolarHBondContact O-N 3.44Å; K76-L79 PolarHBondContact O-N 3.11Å; K76-E80 WeakPolarHBondContact CE-OE1 3.38Å; K76-E80 IonicContact NZ-OE1 3.23Å; K76-E80 WeakPolarHBondContact O-CG 3.48Å; K76-E80 PolarHBondContact O-N 3.01Å |
| 77 | S | 94.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.6 | -27 | -178.4 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | W47 W52 K73 V74 L75 Y81 | W47-S77 PolarHBondContact NE1-O 3.43Å; W52-S77 VanDerWaalsContact NE1-CB 3.27Å; W52-S77 PolarHBondContact NE1-OG 3.22Å; K73-S77 PolarHBondContact O-N 2.93Å; K73-S77 VanDerWaalsContact O-N 3.07Å; K73-S77 PolarHBondContact O-OG 3Å; V74-S77 PolarHBondContact O-N 3.48Å; L75-S77 PolarHBondContact O-N 2.69Å; S77-Y81 WeakPolarHBondContact O-CB 3.47Å; S77-Y81 PolarHBondContact O-N 2.92Å |
| 78 | M | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68 | -46 | 169.7 | -72.2 | 174.1 | 66.8 | 0 | 0 | 111.8 | L40 F48 V74 L75 K76 E80 Y81 Y82 L113 L116 V117 | L40-M78 HydrophobicContact CD1-CG 3.63Å; L40-M78 HydrophobicContact CD1-SD 3.71Å; L40-M78 HydrophobicContact CD2-CG 3.99Å; L40-M78 HydrophobicContact CD2-SD 4.24Å; L40-M78 HydrophobicContact CG-CG 4.49Å; F48-M78 HydrophobicContact CE1-CG 4.4Å; F48-M78 HydrophobicContact CZ-CG 4.25Å; V74-M78 HydrophobicContact CG1-CG 4.49Å; V74-M78 HydrophobicContact CG1-SD 3.78Å; V74-M78 VanDerWaalsContact O-CG 3.31Å; V74-M78 WeakPolarHBondContact O-CG 3.48Å; V74-M78 PolarHBondContact O-N 3.1Å; L75-M78 PolarHBondContact O-N 3.15Å; K76-M78 VanDerWaalsContact C-N 3.29Å; K76-M78 PolarHBondContact O-N 3.44Å; M78-E80 VanDerWaalsContact C-N 3.32Å; M78-E80 PolarHBondContact O-N 3.23Å; M78-Y81 WeakPolarHBondContact O-CA 3.4Å; M78-Y81 WeakPolarHBondContact O-CB 3.48Å; M78-Y81 PolarHBondContact O-N 3.38Å; M78-Y81 VanDerWaalsContact O-N 3.09Å; M78-Y82 VanDerWaalsContact O-CD2 3.32Å; M78-Y82 WeakPolarHBondContact O-CD2 3.37Å; M78-Y82 PolarHBondContact O-N 3.04Å; M78-L113 HydrophobicContact SD-CD1 4.26Å; M78-L116 HydrophobicContact CE-CB 3.36Å; M78-V117 HydrophobicContact CE-CB 4.22Å; M78-V117 HydrophobicContact CE-CG2 3.56Å; M78-V117 VanDerWaalsContact CE-N 3.26Å; M78-V117 HydrophobicContact SD-CG2 3.88Å |
| 79 | L | 92.8 | Very high | 91.2 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 177.8 | -68 | 175 | 0 | 0 | 0 | 111.8 | L75 K76 Y81 Y82 H83 V90 L95 | L75-L79 HydrophobicContact CD1-CD1 4.12Å; L75-L79 HydrophobicContact CD1-CD2 4.48Å; L75-L79 HydrophobicContact CD1-CG 4.06Å; L75-L79 HydrophobicContact CG-CD1 4.02Å; L75-L79 HydrophobicContact CG-CG 4.36Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 2.75Å; K76-L79 PolarHBondContact O-N 3.11Å; L79-Y81 VanDerWaalsContact C-N 3.33Å; L79-Y82 PolarHBondContact O-N 3.22Å; L79-H83 PolarHBondContact O-N 3.01Å; L79-V90 HydrophobicContact CD2-CB 4.15Å; L79-V90 HydrophobicContact CD2-CG2 4.04Å; L79-L95 HydrophobicContact CD1-CD2 3.83Å; L79-L95 HydrophobicContact CD2-CD2 3.71Å; L79-L95 HydrophobicContact CG-CD2 4.38Å |
| 80 | E | 93.8 | Very high | 90.7 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 170.9 | -68.6 | 168.7 | 170.2 | 0 | 0 | 110.9 | W47 K76 M78 H83 D84 | W47-E80 HydrophobicContact CZ2-CB 3.9Å; K76-E80 WeakPolarHBondContact CE-OE1 3.38Å; K76-E80 IonicContact NZ-OE1 3.23Å; K76-E80 WeakPolarHBondContact O-CG 3.48Å; K76-E80 PolarHBondContact O-N 3.01Å; M78-E80 VanDerWaalsContact C-N 3.32Å; M78-E80 PolarHBondContact O-N 3.23Å; E80-H83 PolarHBondContact O-N 2.98Å; E80-D84 VanDerWaalsContact O-CB 3.27Å; E80-D84 WeakPolarHBondContact O-CB 3.47Å; E80-D84 PolarHBondContact O-N 3.11Å |
| 81 | Y | 93.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.8 | -171.8 | -104.4 | 0 | 0 | 0 | 113.1 | D44 W47 F48 S77 M78 L79 H83 V85 L86 C120 C124 | D44-Y81 HydrophobicContact CB-CE2 4.42Å; D44-Y81 WeakPolarHBondContact OD2-CE2 3.47Å; D44-Y81 PolarHBondContact OD2-OH 3.2Å; W47-Y81 HydrophobicContact CB-CD2 3.84Å; W47-Y81 HydrophobicContact CB-CE2 3.87Å; W47-Y81 AromaticContact CD1-CD2 3.41Å; W47-Y81 VanDerWaalsContact CD1-CD2 3.41Å; W47-Y81 AromaticContact CD2-CD2 3.94Å; W47-Y81 HydrophobicContact CD2-CD2 3.94Å; W47-Y81 AromaticContact CG-CD2 3.46Å; W47-Y81 HydrophobicContact CG-CD2 3.46Å; W47-Y81 VanDerWaalsContact CG-CD2 3.46Å; W47-Y81 HydrophobicContact CG-CE2 4.02Å; W47-Y81 HydrophobicContact CG-CG 4.47Å; W47-Y81 AromaticContact NE1-CD2 3.83Å; F48-Y81 HydrophobicContact CE2-CD1 4.49Å; F48-Y81 HydrophobicContact CE2-CD2 4.21Å; F48-Y81 HydrophobicContact CE2-CG 4.17Å; F48-Y81 HydrophobicContact CZ-CG 4.19Å; S77-Y81 WeakPolarHBondContact O-CB 3.47Å; S77-Y81 PolarHBondContact O-N 2.92Å; M78-Y81 WeakPolarHBondContact O-CA 3.4Å; M78-Y81 WeakPolarHBondContact O-CB 3.48Å; M78-Y81 PolarHBondContact O-N 3.38Å; M78-Y81 VanDerWaalsContact O-N 3.09Å; L79-Y81 VanDerWaalsContact C-N 3.33Å; Y81-H83 VanDerWaalsContact C-N 3.3Å; Y81-H83 PolarHBondContact O-N 3.29Å; Y81-V85 HydrophobicContact CD2-CB 3.71Å; Y81-V85 HydrophobicContact CD2-CG1 4.21Å; Y81-V85 HydrophobicContact CD2-CG2 3.49Å; Y81-V85 VanDerWaalsContact CD2-CG2 3.49Å; Y81-V85 HydrophobicContact CE2-CB 3.68Å; Y81-V85 HydrophobicContact CE2-CG1 3.64Å; Y81-V85 HydrophobicContact CE2-CG2 3.69Å; Y81-V85 HydrophobicContact CG-CB 4.24Å; Y81-V85 HydrophobicContact CG-CG2 4.34Å; Y81-V85 WeakPolarHBondContact O-CA 3.48Å; Y81-V85 WeakPolarHBondContact O-CB 3.34Å; Y81-V85 PolarHBondContact O-N 2.98Å; Y81-L86 HydrophobicContact CD1-CD1 3.91Å; Y81-L86 HydrophobicContact CD1-CD2 4.45Å; Y81-L86 HydrophobicContact CD1-CG 3.9Å; Y81-L86 HydrophobicContact CE1-CD1 3.88Å; Y81-L86 HydrophobicContact CE1-CD2 3.79Å; Y81-L86 HydrophobicContact CE1-CG 3.75Å; Y81-L86 PolarHBondContact O-N 3.42Å; Y81-C120 HydrophobicContact CD1-CB 4.29Å; Y81-C120 HydrophobicContact CE1-CB 4.23Å; Y81-C124 WeakPolarHBondContact OH-CB 3.45Å |
| 82 | Y | 90.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 176.8 | -93 | -82.1 | 0 | 0 | 0 | 112 | M78 L79 L86 S87 Q88 V90 L116 G119 C120 | M78-Y82 VanDerWaalsContact O-CD2 3.32Å; M78-Y82 WeakPolarHBondContact O-CD2 3.37Å; M78-Y82 PolarHBondContact O-N 3.04Å; L79-Y82 PolarHBondContact O-N 3.22Å; Y82-L86 HydrophobicContact CD1-CD1 3.72Å; Y82-L86 HydrophobicContact CE1-CD1 3.86Å; Y82-L86 HydrophobicContact CG-CD1 4.15Å; Y82-L86 CarbonylContact O-C 3.59Å; Y82-L86 WeakPolarHBondContact O-CB 3.39Å; Y82-S87 PolarHBondContact O-N 3.06Å; Y82-Q88 CarbonylContact C-O 3.57Å; Y82-Q88 HydrophobicContact CD1-CB 4.46Å; Y82-Q88 PolarHBondContact O-N 3.46Å; Y82-Q88 VanDerWaalsContact O-O 3.05Å; Y82-V90 HydrophobicContact CD1-CG2 3.74Å; Y82-V90 HydrophobicContact CD2-CG2 3.94Å; Y82-V90 HydrophobicContact CE1-CG2 4.15Å; Y82-V90 HydrophobicContact CE2-CG2 4.33Å; Y82-V90 HydrophobicContact CG-CG2 3.61Å; Y82-L116 HydrophobicContact CE2-CB 4.24Å; Y82-L116 HydrophobicContact CE2-CD2 4.17Å; Y82-L116 PolarHBondContact OH-O 2.96Å; Y82-G119 WeakPolarHBondContact OH-CA 3.44Å; Y82-C120 WeakPolarHBondContact CE2-SG 3.36Å |
| 83 | H | 90 | Very high | 88.8 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 61% | 0.611 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -75.5 | -52.5 | 179.9 | -168.7 | 58.2 | 0 | 0 | 0 | 112.6 | L79 E80 Y81 S87 | L79-H83 PolarHBondContact O-N 3.01Å; E80-H83 PolarHBondContact O-N 2.98Å; Y81-H83 VanDerWaalsContact C-N 3.3Å; Y81-H83 PolarHBondContact O-N 3.29Å; H83-S87 WeakPolarHBondContact O-CA 3.43Å; H83-S87 PolarHBondContact O-N 3.42Å |
| 84 | D | 90.3 | Very high | 88.2 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -84.2 | -34.8 | -168.2 | -64 | -15.4 | 0 | 0 | 0 | 112.7 | W47 E80 | W47-D84 HydrophobicContact CH2-CB 4.24Å; E80-D84 VanDerWaalsContact O-CB 3.27Å; E80-D84 WeakPolarHBondContact O-CB 3.47Å; E80-D84 PolarHBondContact O-N 3.11Å |
| 85 | V | 88.5 | Confident | 87.9 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -50.2 | -176.4 | -175 | 0 | 0 | 0 | 0 | 111.2 | W47 Y81 | W47-V85 HydrophobicContact CD2-CG2 4.3Å; W47-V85 HydrophobicContact CE3-CG2 4.01Å; W47-V85 HydrophobicContact CZ3-CG2 4.26Å; Y81-V85 HydrophobicContact CD2-CB 3.71Å; Y81-V85 HydrophobicContact CD2-CG1 4.21Å; Y81-V85 HydrophobicContact CD2-CG2 3.49Å; Y81-V85 VanDerWaalsContact CD2-CG2 3.49Å; Y81-V85 HydrophobicContact CE2-CB 3.68Å; Y81-V85 HydrophobicContact CE2-CG1 3.64Å; Y81-V85 HydrophobicContact CE2-CG2 3.69Å; Y81-V85 HydrophobicContact CG-CB 4.24Å; Y81-V85 HydrophobicContact CG-CG2 4.34Å; Y81-V85 WeakPolarHBondContact O-CA 3.48Å; Y81-V85 WeakPolarHBondContact O-CB 3.34Å; Y81-V85 PolarHBondContact O-N 2.98Å |
| 86 | L | 84.7 | Confident | 87.7 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -83.5 | -13.3 | -176.7 | -54.3 | -178.3 | 0 | 0 | 0 | 113.3 | Y81 Y82 Q88 S123 | Y81-L86 HydrophobicContact CD1-CD1 3.91Å; Y81-L86 HydrophobicContact CD1-CD2 4.45Å; Y81-L86 HydrophobicContact CD1-CG 3.9Å; Y81-L86 HydrophobicContact CE1-CD1 3.88Å; Y81-L86 HydrophobicContact CE1-CD2 3.79Å; Y81-L86 HydrophobicContact CE1-CG 3.75Å; Y81-L86 PolarHBondContact O-N 3.42Å; Y82-L86 HydrophobicContact CD1-CD1 3.72Å; Y82-L86 HydrophobicContact CE1-CD1 3.86Å; Y82-L86 HydrophobicContact CG-CD1 4.15Å; Y82-L86 CarbonylContact O-C 3.59Å; Y82-L86 WeakPolarHBondContact O-CB 3.39Å; L86-Q88 HydrophobicContact CB-CB 4.48Å; L86-Q88 PolarHBondContact O-N 3.15Å; L86-Q88 VanDerWaalsContact O-N 3.16Å; L86-S123 WeakPolarHBondContact CD2-O 3.39Å |
| 87 | S | 84.1 | Confident | 87.5 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 76% | 0.755 | 33% | 0.333 | S | S | * | . | trans | 51.6 | 33 | -175.6 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | Y82 H83 | Y82-S87 PolarHBondContact O-N 3.06Å; H83-S87 WeakPolarHBondContact O-CA 3.43Å; H83-S87 PolarHBondContact O-N 3.42Å | ||
| 88 | Q | 82.8 | Confident | 87.4 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | trans | -121.5 | 134.6 | -178.3 | -172.5 | 179.5 | 1.7 | 0 | 0 | 110.3 | Y82 L86 L152 L153 | Y82-Q88 CarbonylContact C-O 3.57Å; Y82-Q88 HydrophobicContact CD1-CB 4.46Å; Y82-Q88 PolarHBondContact O-N 3.46Å; Y82-Q88 VanDerWaalsContact O-O 3.05Å; L86-Q88 HydrophobicContact CB-CB 4.48Å; L86-Q88 PolarHBondContact O-N 3.15Å; L86-Q88 VanDerWaalsContact O-N 3.16Å; Q88-L152 PolarHBondContact NE2-O 3.43Å; Q88-L153 VanDerWaalsContact OE1-CD2 3.29Å | ||
| 89 | Q | 79.8 | Confident | 87.3 | Confident | 178 Ų | 178 | 65.7 Ų | 65.7 | 83% | 0.832 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 128.1 | 174.3 | -167.8 | 171.7 | -7.5 | 0 | 0 | 110.1 | ||
| 90 | V | 82.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 125 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | L79 Y82 H94 L116 | L79-V90 HydrophobicContact CD2-CB 4.15Å; L79-V90 HydrophobicContact CD2-CG2 4.04Å; Y82-V90 HydrophobicContact CD1-CG2 3.74Å; Y82-V90 HydrophobicContact CD2-CG2 3.94Å; Y82-V90 HydrophobicContact CE1-CG2 4.15Å; Y82-V90 HydrophobicContact CE2-CG2 4.33Å; Y82-V90 HydrophobicContact CG-CG2 3.61Å; V90-H94 HydrophobicContact CG1-CB 4Å; V90-L116 HydrophobicContact CG1-CD2 3.61Å; V90-L116 HydrophobicContact CG2-CD2 4.1Å |
| 91 | S | 81.9 | Confident | 87.1 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 26% | 0.259 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.4 | 175.7 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | E93 H94 | S91-E93 PolarHBondContact O-N 2.93Å; S91-E93 VanDerWaalsContact O-N 3.12Å; S91-H94 PolarHBondContact O-N 3.37Å |
| 92 | D | 81.2 | Confident | 86.8 | Confident | 135 Ų | 135 | 62.8 Ų | 62.8 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -58.3 | -26.2 | -178.9 | -76.8 | -12.5 | 0 | 0 | 0 | 112.8 | H94 L95 | D92-H94 VanDerWaalsContact C-N 3.28Å; D92-H94 PolarHBondContact O-N 2.84Å; D92-L95 PolarHBondContact O-N 3.32Å; D92-L95 WeakPolarHBondContact OD1-CD1 3.34Å |
| 93 | E | 80.4 | Confident | 86.7 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 69% | 0.692 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -68.2 | -27.2 | 177 | -62.1 | -164.4 | 165.1 | 0 | 0 | 113.4 | S91 | S91-E93 PolarHBondContact O-N 2.93Å; S91-E93 VanDerWaalsContact O-N 3.12Å |
| 94 | H | 81.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -93.6 | -2.8 | -178.8 | -61.3 | 97.5 | 0 | 0 | 0 | 112.8 | V90 S91 D92 P96 L152 | V90-H94 HydrophobicContact CG1-CB 4Å; S91-H94 PolarHBondContact O-N 3.37Å; D92-H94 VanDerWaalsContact C-N 3.28Å; D92-H94 PolarHBondContact O-N 2.84Å; H94-P96 WeakPolarHBondContact O-CD 3.28Å; H94-L152 HydrophobicContact CB-CD2 4.18Å |
| 95 | L | 88.2 | Confident | 86.3 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | trans | -74 | 122.1 | 175.9 | -76.9 | 171.1 | 0 | 0 | 0 | 110.9 | L79 D92 | L79-L95 HydrophobicContact CD1-CD2 3.83Å; L79-L95 HydrophobicContact CD2-CD2 3.71Å; L79-L95 HydrophobicContact CG-CD2 4.38Å; D92-L95 PolarHBondContact O-N 3.32Å; D92-L95 WeakPolarHBondContact OD1-CD1 3.34Å | ||
| 96 | P | 91.3 | Very high | 86.4 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | trans | -82.1 | 138.3 | 178.4 | 31.1 | -33.9 | 0 | 0 | 0 | 112.3 | L75 H94 V98 I101 E109 K112 L113 L116 | L75-P96 HydrophobicContact CD1-CG 3.81Å; L75-P96 HydrophobicContact CD2-CG 4.23Å; H94-P96 WeakPolarHBondContact O-CD 3.28Å; P96-V98 PolarHBondContact O-N 3.48Å; P96-V98 VanDerWaalsContact O-N 3.17Å; P96-I101 HydrophobicContact CB-CD1 4.28Å; P96-E109 VanDerWaalsContact CA-OE2 3.32Å; P96-E109 WeakPolarHBondContact CA-OE2 3.3Å; P96-E109 WeakPolarHBondContact CB-O 3.45Å; P96-K112 HydrophobicContact CB-CB 3.99Å; P96-L113 HydrophobicContact CB-CB 3.98Å; P96-L113 HydrophobicContact CG-CB 3.95Å; P96-L113 HydrophobicContact CG-CD1 3.83Å; P96-L113 HydrophobicContact CG-CG 4.49Å; P96-L116 HydrophobicContact CG-CD1 4.18Å | ||
| 97 | D | 90.8 | Very high | 86.6 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | trans | -80.8 | 95.8 | 169.3 | -169.6 | -14 | 0 | 0 | 0 | 111 | N99 L100 I101 E109 | D97-N99 PolarHBondContact O-N 3.45Å; D97-N99 VanDerWaalsContact O-N 3.16Å; D97-N99 WeakPolarHBondContact OD1-CB 3.33Å; D97-N99 PolarHBondContact OD1-N 3.07Å; D97-N99 PolarHBondContact OD1-ND2 3.05Å; D97-L100 HydrophobicContact CB-CB 4.35Å; D97-L100 HydrophobicContact CB-CD1 3.96Å; D97-L100 HydrophobicContact CB-CG 4.11Å; D97-L100 PolarHBondContact O-N 3.38Å; D97-L100 VanDerWaalsContact O-N 3.15Å; D97-I101 PolarHBondContact O-N 3.22Å; D97-E109 HydrophobicContact CB-CG 4.39Å; D97-E109 PolarHBondContact N-OE2 3.13Å | ||
| 98 | V | 92.6 | Very high | 86.8 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -20.7 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | L71 K72 L75 P96 G102 | L71-V98 HydrophobicContact CB-CB 3.85Å; L71-V98 HydrophobicContact CB-CG1 3.9Å; K72-V98 HydrophobicContact CD-CG2 4.44Å; K72-V98 HydrophobicContact CG-CG2 3.57Å; L75-V98 HydrophobicContact CB-CG1 4.12Å; L75-V98 HydrophobicContact CD2-CG1 3.75Å; P96-V98 PolarHBondContact O-N 3.48Å; P96-V98 VanDerWaalsContact O-N 3.17Å; V98-G102 PolarHBondContact O-N 3.04Å; V98-G102 VanDerWaalsContact O-N 3.12Å |
| 99 | N | 91.7 | Very high | 87.2 | Confident | 54 Ų | 54 | 59 Ų | 59 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.3 | -42.2 | 175.7 | -47.7 | -71.4 | 0 | 0 | 0 | 110.2 | V68 K72 D97 I101 G102 E103 | V68-N99 WeakPolarHBondContact CG1-OD1 3.44Å; K72-N99 WeakPolarHBondContact CE-OD1 3.28Å; K72-N99 PolarHBondContact NZ-OD1 3Å; D97-N99 PolarHBondContact O-N 3.45Å; D97-N99 VanDerWaalsContact O-N 3.16Å; D97-N99 WeakPolarHBondContact OD1-CB 3.33Å; D97-N99 PolarHBondContact OD1-N 3.07Å; D97-N99 PolarHBondContact OD1-ND2 3.05Å; N99-I101 VanDerWaalsContact C-N 3.33Å; N99-I101 PolarHBondContact O-N 3.01Å; N99-G102 PolarHBondContact O-N 3.43Å; N99-E103 VanDerWaalsContact O-CB 3.29Å; N99-E103 WeakPolarHBondContact O-CB 3.42Å; N99-E103 WeakPolarHBondContact O-CG 3.4Å; N99-E103 PolarHBondContact O-N 2.95Å |
| 100 | L | 91 | Very high | 87.7 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 175.8 | -65.6 | 177.7 | 0 | 0 | 0 | 112 | D97 L104 G105 D106 E109 | D97-L100 HydrophobicContact CB-CB 4.35Å; D97-L100 HydrophobicContact CB-CD1 3.96Å; D97-L100 HydrophobicContact CB-CG 4.11Å; D97-L100 PolarHBondContact O-N 3.38Å; D97-L100 VanDerWaalsContact O-N 3.15Å; L100-L104 HydrophobicContact CD2-CD1 3.9Å; L100-L104 WeakPolarHBondContact O-CA 3.37Å; L100-L104 WeakPolarHBondContact O-CB 3.26Å; L100-L104 PolarHBondContact O-N 2.9Å; L100-G105 PolarHBondContact O-N 3.19Å; L100-D106 HydrophobicContact CB-CB 4.28Å; L100-D106 PolarHBondContact O-N 2.9Å; L100-E109 HydrophobicContact CB-CG 4.22Å; L100-E109 HydrophobicContact CD1-CG 4.07Å |
| 101 | I | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 175.3 | -57.5 | 171.7 | 0 | 0 | 0 | 110.9 | T31 L71 P96 D97 N99 G105 E109 L110 L113 | T31-I101 HydrophobicContact CG2-CG2 4.35Å; L71-I101 HydrophobicContact CD1-CB 3.84Å; L71-I101 HydrophobicContact CD1-CG2 3.6Å; P96-I101 HydrophobicContact CB-CD1 4.28Å; D97-I101 PolarHBondContact O-N 3.22Å; N99-I101 VanDerWaalsContact C-N 3.33Å; N99-I101 PolarHBondContact O-N 3.01Å; I101-G105 WeakPolarHBondContact O-CA 3.36Å; I101-G105 PolarHBondContact O-N 3.4Å; I101-G105 VanDerWaalsContact O-N 3.1Å; I101-E109 HydrophobicContact CD1-CB 4.07Å; I101-E109 WeakPolarHBondContact CD1-O 3.31Å; I101-E109 HydrophobicContact CG1-CB 3.59Å; I101-L110 HydrophobicContact CG2-CB 4.47Å; I101-L110 HydrophobicContact CG2-CD1 4.15Å; I101-L113 HydrophobicContact CD1-CB 4.1Å; I101-L113 HydrophobicContact CD1-CD2 4Å |
| 102 | G | 88.1 | Confident | 88.6 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.2 | -37.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W64 V98 N99 | W64-G102 WeakPolarHBondContact CB-O 3.44Å; V98-G102 PolarHBondContact O-N 3.04Å; V98-G102 VanDerWaalsContact O-N 3.12Å; N99-G102 PolarHBondContact O-N 3.43Å |
| 103 | E | 88.8 | Confident | 89.1 | Confident | 101 Ų | 101 | 43.2 Ų | 43.2 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -85.1 | -45.5 | -177.7 | -71.6 | 179.4 | -161.9 | 0 | 0 | 113.3 | W64 N99 | W64-E103 HydrophobicContact CD2-CG 3.82Å; W64-E103 HydrophobicContact CE3-CG 3.26Å; W64-E103 HydrophobicContact CG-CG 4.48Å; W64-E103 HydrophobicContact CH2-CG 4.18Å; W64-E103 VanDerWaalsContact CH2-OE1 3.31Å; W64-E103 WeakPolarHBondContact CH2-OE1 3.49Å; W64-E103 HydrophobicContact CZ3-CG 3.48Å; W64-E103 VanDerWaalsContact CZ3-CG 3.48Å; W64-E103 WeakPolarHBondContact CZ3-OE1 3.5Å; N99-E103 VanDerWaalsContact O-CB 3.29Å; N99-E103 WeakPolarHBondContact O-CB 3.42Å; N99-E103 WeakPolarHBondContact O-CG 3.4Å; N99-E103 PolarHBondContact O-N 2.95Å |
| 104 | L | 85.7 | Confident | 89.7 | Confident | 132 Ų | 132 | 36.2 Ų | 36.2 | 69% | 0.691 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -110.5 | -11.1 | -171.2 | -59 | 177.1 | 0 | 0 | 0 | 113 | L100 D106 | L100-L104 HydrophobicContact CD2-CD1 3.9Å; L100-L104 WeakPolarHBondContact O-CA 3.37Å; L100-L104 WeakPolarHBondContact O-CB 3.26Å; L100-L104 PolarHBondContact O-N 2.9Å; L104-D106 VanDerWaalsContact C-N 3.27Å; L104-D106 PolarHBondContact O-N 2.88Å |
| 105 | G | 85.8 | Confident | 90.2 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | trans | 65.1 | 33.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 I101 V107 | L100-G105 PolarHBondContact O-N 3.19Å; I101-G105 WeakPolarHBondContact O-CA 3.36Å; I101-G105 PolarHBondContact O-N 3.4Å; I101-G105 VanDerWaalsContact O-N 3.1Å; G105-V107 PolarHBondContact O-N 3.45Å | ||
| 106 | D | 90.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | trans | -60.9 | 123.7 | -174.4 | -175.8 | 63.2 | 0 | 0 | 0 | 111.9 | L100 L104 T108 E109 L110 | L100-D106 HydrophobicContact CB-CB 4.28Å; L100-D106 PolarHBondContact O-N 2.9Å; L104-D106 VanDerWaalsContact C-N 3.27Å; L104-D106 PolarHBondContact O-N 2.88Å; D106-T108 VanDerWaalsContact C-N 3.32Å; D106-T108 PolarHBondContact O-N 3.32Å; D106-T108 WeakPolarHBondContact OD2-CA 3.44Å; D106-T108 WeakPolarHBondContact OD2-CB 3.27Å; D106-T108 PolarHBondContact OD2-N 3.26Å; D106-T108 PolarHBondContact OD2-OG1 3.48Å; D106-E109 HydrophobicContact CB-CB 4.43Å; D106-E109 WeakPolarHBondContact OD2-CG 3.46Å; D106-E109 PolarHBondContact OD2-N 3.23Å; D106-L110 VanDerWaalsContact O-CB 3.28Å; D106-L110 WeakPolarHBondContact O-CB 3.48Å; D106-L110 PolarHBondContact O-N 2.99Å; D106-L110 VanDerWaalsContact O-N 3.09Å | ||
| 107 | V | 88.6 | Confident | 90.5 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.6 | -27.9 | -173.7 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | C9 K27 G105 G111 | C9-V107 HydrophobicContact CB-CG1 3.61Å; C9-V107 WeakPolarHBondContact CB-O 3.37Å; C9-V107 PolarHBondContact SG-O 2.68Å; K27-V107 HydrophobicContact CD-CG1 4.04Å; K27-V107 HydrophobicContact CD-CG2 4.24Å; G105-V107 PolarHBondContact O-N 3.45Å; V107-G111 PolarHBondContact O-N 2.99Å |
| 108 | T | 88.8 | Confident | 90.5 | Very high | 49 Ų | 49 | 28.7 Ų | 28.7 | 30% | 0.301 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -76.6 | -44.3 | -177.9 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | K5 D106 L110 G111 K112 | K5-T108 HydrophobicContact CB-CG2 3.92Å; D106-T108 VanDerWaalsContact C-N 3.32Å; D106-T108 PolarHBondContact O-N 3.32Å; D106-T108 WeakPolarHBondContact OD2-CA 3.44Å; D106-T108 WeakPolarHBondContact OD2-CB 3.27Å; D106-T108 PolarHBondContact OD2-N 3.26Å; D106-T108 PolarHBondContact OD2-OG1 3.48Å; T108-L110 VanDerWaalsContact C-N 3.34Å; T108-G111 PolarHBondContact O-N 3.4Å; T108-K112 PolarHBondContact O-N 3.4Å; T108-K112 VanDerWaalsContact O-N 3.1Å |
| 109 | E | 90.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.9 | -35.6 | 173.6 | -64.1 | -56 | 137.4 | 0 | 0 | 111.4 | P96 D97 L100 I101 D106 G111 K112 L113 | P96-E109 VanDerWaalsContact CA-OE2 3.32Å; P96-E109 WeakPolarHBondContact CA-OE2 3.3Å; P96-E109 WeakPolarHBondContact CB-O 3.45Å; D97-E109 HydrophobicContact CB-CG 4.39Å; D97-E109 PolarHBondContact N-OE2 3.13Å; L100-E109 HydrophobicContact CB-CG 4.22Å; L100-E109 HydrophobicContact CD1-CG 4.07Å; I101-E109 HydrophobicContact CD1-CB 4.07Å; I101-E109 WeakPolarHBondContact CD1-O 3.31Å; I101-E109 HydrophobicContact CG1-CB 3.59Å; D106-E109 HydrophobicContact CB-CB 4.43Å; D106-E109 WeakPolarHBondContact OD2-CG 3.46Å; D106-E109 PolarHBondContact OD2-N 3.23Å; E109-G111 VanDerWaalsContact C-N 3.32Å; E109-G111 PolarHBondContact O-N 2.98Å; E109-K112 PolarHBondContact O-N 2.85Å; E109-K112 IonicContact OE1-NZ 2.88Å; E109-K112 PolarHBondContact OE1-NZ 3.48Å; E109-K112 WeakPolarHBondContact OE2-CD 3.39Å; E109-K112 IonicContact OE2-NZ 3.87Å; E109-K112 PolarHBondContact OE2-NZ 3.04Å; E109-L113 PolarHBondContact O-N 2.86Å |
| 110 | L | 91 | Very high | 90.4 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 170.7 | -177.1 | 62.2 | 0 | 0 | 0 | 111.6 | K27 L30 I36 I101 D106 T108 K112 L113 L114 | K27-L110 HydrophobicContact CB-CD2 4.26Å; L30-L110 HydrophobicContact CB-CD1 4.01Å; L30-L110 HydrophobicContact CB-CD2 4.17Å; L30-L110 HydrophobicContact CD1-CD2 4.4Å; I36-L110 HydrophobicContact CD1-CD1 4.27Å; I101-L110 HydrophobicContact CG2-CB 4.47Å; I101-L110 HydrophobicContact CG2-CD1 4.15Å; D106-L110 VanDerWaalsContact O-CB 3.28Å; D106-L110 WeakPolarHBondContact O-CB 3.48Å; D106-L110 PolarHBondContact O-N 2.99Å; D106-L110 VanDerWaalsContact O-N 3.09Å; T108-L110 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.26Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-L114 HydrophobicContact CG-CD1 4.46Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 3.32Å |
| 111 | G | 90.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V107 T108 E109 L113 L114 Q115 | V107-G111 PolarHBondContact O-N 2.99Å; T108-G111 PolarHBondContact O-N 3.4Å; E109-G111 VanDerWaalsContact C-N 3.32Å; E109-G111 PolarHBondContact O-N 2.98Å; G111-L113 PolarHBondContact O-N 2.89Å; G111-L114 PolarHBondContact O-N 3.18Å; G111-Q115 WeakPolarHBondContact O-CB 3.45Å; G111-Q115 PolarHBondContact O-N 3.17Å |
| 112 | K | 91.4 | Very high | 90.3 | Very high | 38 Ų | 38 | 23.4 Ų | 23.4 | 17% | 0.165 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 174 | -69.6 | 176.2 | -179.4 | 169.6 | 0 | 112.3 | P96 T108 E109 L110 Q115 L116 | P96-K112 HydrophobicContact CB-CB 3.99Å; T108-K112 PolarHBondContact O-N 3.4Å; T108-K112 VanDerWaalsContact O-N 3.1Å; E109-K112 PolarHBondContact O-N 2.85Å; E109-K112 IonicContact OE1-NZ 2.88Å; E109-K112 PolarHBondContact OE1-NZ 3.48Å; E109-K112 WeakPolarHBondContact OE2-CD 3.39Å; E109-K112 IonicContact OE2-NZ 3.87Å; E109-K112 PolarHBondContact OE2-NZ 3.04Å; L110-K112 PolarHBondContact O-N 3.26Å; K112-Q115 WeakPolarHBondContact O-CB 3.43Å; K112-Q115 PolarHBondContact O-N 3.07Å; K112-L116 PolarHBondContact O-N 3.29Å; K112-L116 VanDerWaalsContact O-N 3.08Å |
| 113 | L | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 177.3 | -177.7 | 64.4 | 0 | 0 | 0 | 111.3 | I36 L71 L75 M78 P96 I101 E109 L110 G111 Q115 L116 V117 | I36-L113 HydrophobicContact CD1-CD2 3.58Å; I36-L113 HydrophobicContact CD1-CG 4.19Å; L71-L113 HydrophobicContact CD2-CD2 3.65Å; L75-L113 HydrophobicContact CD1-CD1 4.37Å; M78-L113 HydrophobicContact SD-CD1 4.26Å; P96-L113 HydrophobicContact CB-CB 3.98Å; P96-L113 HydrophobicContact CG-CB 3.95Å; P96-L113 HydrophobicContact CG-CD1 3.83Å; P96-L113 HydrophobicContact CG-CG 4.49Å; I101-L113 HydrophobicContact CD1-CB 4.1Å; I101-L113 HydrophobicContact CD1-CD2 4Å; E109-L113 PolarHBondContact O-N 2.86Å; L110-L113 PolarHBondContact O-N 3.35Å; G111-L113 PolarHBondContact O-N 2.89Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 3.21Å; L113-L116 PolarHBondContact O-N 3.16Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 2.89Å; L113-V117 VanDerWaalsContact O-N 3.15Å |
| 114 | L | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | 176.2 | -65.4 | -178.5 | 0 | 0 | 0 | 112.5 | L12 L16 L30 I36 L110 G111 L116 V117 L118 | L12-L114 HydrophobicContact CB-CB 3.96Å; L12-L114 HydrophobicContact CB-CD1 4.09Å; L12-L114 HydrophobicContact CD1-CB 3.8Å; L16-L114 HydrophobicContact CD1-CD2 4.27Å; L16-L114 HydrophobicContact CD2-CD2 3.85Å; L30-L114 HydrophobicContact CD1-CD1 3.79Å; L30-L114 HydrophobicContact CD1-CD2 4.14Å; L30-L114 HydrophobicContact CD1-CG 4.48Å; I36-L114 HydrophobicContact CD1-CD2 4.01Å; I36-L114 HydrophobicContact CG1-CD2 4.13Å; L110-L114 HydrophobicContact CG-CD1 4.46Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 3.32Å; G111-L114 PolarHBondContact O-N 3.18Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-V117 WeakPolarHBondContact O-CB 3.33Å; L114-V117 PolarHBondContact O-N 3.38Å; L114-V117 VanDerWaalsContact O-N 3.16Å; L114-L118 PolarHBondContact O-N 3.32Å |
| 115 | Q | 91.5 | Very high | 90 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 175 | 179.4 | 170.6 | 21.2 | 0 | 0 | 110.1 | L12 G111 K112 L113 V117 L118 G119 A148 E151 L152 | L12-Q115 HydrophobicContact CD1-CB 4.02Å; G111-Q115 WeakPolarHBondContact O-CB 3.45Å; G111-Q115 PolarHBondContact O-N 3.17Å; K112-Q115 WeakPolarHBondContact O-CB 3.43Å; K112-Q115 PolarHBondContact O-N 3.07Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 3.21Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 2.92Å; Q115-L118 WeakPolarHBondContact O-CB 3.5Å; Q115-L118 PolarHBondContact O-N 3.45Å; Q115-G119 PolarHBondContact O-N 2.83Å; Q115-A148 HydrophobicContact CG-CB 4.22Å; Q115-A148 PolarHBondContact NE2-O 3.19Å; Q115-E151 PolarHBondContact NE2-OE2 3.34Å; Q115-L152 HydrophobicContact CB-CD1 4.44Å; Q115-L152 HydrophobicContact CG-CD1 3.42Å; Q115-L152 VanDerWaalsContact CG-CD1 3.42Å; Q115-L152 HydrophobicContact CG-CD2 4.18Å; Q115-L152 HydrophobicContact CG-CG 3.65Å; Q115-L152 WeakPolarHBondContact O-CD1 3.46Å |
| 116 | L | 92.2 | Very high | 90 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 172.9 | -65.3 | 176.9 | 0 | 0 | 0 | 112.8 | L75 M78 Y82 V90 P96 K112 L113 L114 L118 G119 C120 L152 | L75-L116 HydrophobicContact CD1-CD1 4.03Å; M78-L116 HydrophobicContact CE-CB 3.36Å; Y82-L116 HydrophobicContact CE2-CB 4.24Å; Y82-L116 HydrophobicContact CE2-CD2 4.17Å; Y82-L116 PolarHBondContact OH-O 2.96Å; V90-L116 HydrophobicContact CG1-CD2 3.61Å; V90-L116 HydrophobicContact CG2-CD2 4.1Å; P96-L116 HydrophobicContact CG-CD1 4.18Å; K112-L116 PolarHBondContact O-N 3.29Å; K112-L116 VanDerWaalsContact O-N 3.08Å; L113-L116 PolarHBondContact O-N 3.16Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.08Å; L116-G119 PolarHBondContact O-N 3.35Å; L116-C120 PolarHBondContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 2.62Å; L116-C120 VanDerWaalsContact O-SG 3.33Å; L116-L152 HydrophobicContact CD2-CD2 3.84Å |
| 117 | V | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | W15 L16 I36 V39 L40 I43 M78 L113 L114 Q115 G119 C120 A121 | W15-V117 HydrophobicContact CH2-CG1 4.28Å; W15-V117 HydrophobicContact CZ3-CG1 4.28Å; L16-V117 HydrophobicContact CD1-CG1 4.24Å; I36-V117 HydrophobicContact CG2-CG2 3.62Å; V39-V117 HydrophobicContact CG1-CG1 4.04Å; L40-V117 HydrophobicContact CD2-CG1 4.09Å; L40-V117 HydrophobicContact CD2-CG2 4.33Å; L40-V117 HydrophobicContact CG-CG1 4.48Å; I43-V117 HydrophobicContact CD1-CG1 3.81Å; M78-V117 HydrophobicContact CE-CB 4.22Å; M78-V117 HydrophobicContact CE-CG2 3.56Å; M78-V117 VanDerWaalsContact CE-N 3.26Å; M78-V117 HydrophobicContact SD-CG2 3.88Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 2.89Å; L113-V117 VanDerWaalsContact O-N 3.15Å; L114-V117 WeakPolarHBondContact O-CB 3.33Å; L114-V117 PolarHBondContact O-N 3.38Å; L114-V117 VanDerWaalsContact O-N 3.16Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 2.92Å; V117-G119 VanDerWaalsContact C-N 3.32Å; V117-G119 PolarHBondContact O-N 3.04Å; V117-C120 WeakPolarHBondContact O-CB 3.36Å; V117-C120 PolarHBondContact O-N 3.46Å; V117-A121 PolarHBondContact O-N 3.47Å |
| 118 | L | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 173.5 | 174 | 66.9 | 0 | 0 | 0 | 111.3 | L12 W15 L114 Q115 L116 C120 A121 V122 I134 V145 A148 I149 | L12-L118 HydrophobicContact CD2-CB 4.27Å; L12-L118 HydrophobicContact CD2-CD2 3.53Å; L12-L118 HydrophobicContact CD2-CG 4.45Å; W15-L118 HydrophobicContact CD2-CD1 4.02Å; W15-L118 HydrophobicContact CE3-CB 4.38Å; W15-L118 HydrophobicContact CE3-CD1 4.22Å; W15-L118 HydrophobicContact CH2-CB 4.02Å; W15-L118 HydrophobicContact CH2-CD1 3.94Å; W15-L118 HydrophobicContact CZ2-CD1 3.71Å; W15-L118 HydrophobicContact CZ3-CB 3.87Å; W15-L118 HydrophobicContact CZ3-CD1 4.18Å; L114-L118 PolarHBondContact O-N 3.32Å; Q115-L118 WeakPolarHBondContact O-CB 3.5Å; Q115-L118 PolarHBondContact O-N 3.45Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.08Å; L118-C120 VanDerWaalsContact C-N 3.32Å; L118-C120 PolarHBondContact O-N 3.16Å; L118-A121 WeakPolarHBondContact O-CB 3.38Å; L118-A121 PolarHBondContact O-N 3.46Å; L118-V122 HydrophobicContact CD1-CG1 4.03Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.33Å; L118-I134 HydrophobicContact CD1-CD1 3.87Å; L118-V145 HydrophobicContact CD1-CG1 3.92Å; L118-V145 HydrophobicContact CD2-CB 4.48Å; L118-V145 HydrophobicContact CD2-CG1 3.74Å; L118-V145 HydrophobicContact CG-CG1 4.47Å; L118-A148 HydrophobicContact CD2-CB 4.15Å; L118-I149 HydrophobicContact CD1-CD1 4.48Å; L118-I149 HydrophobicContact CD2-CD1 4.37Å; L118-I149 HydrophobicContact CD2-CG1 3.84Å; L118-I149 HydrophobicContact CG-CG1 4.06Å |
| 119 | G | 89.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y82 Q115 L116 V117 S123 | Y82-G119 WeakPolarHBondContact OH-CA 3.44Å; Q115-G119 PolarHBondContact O-N 2.83Å; L116-G119 PolarHBondContact O-N 3.35Å; V117-G119 VanDerWaalsContact C-N 3.32Å; V117-G119 PolarHBondContact O-N 3.04Å; G119-S123 WeakPolarHBondContact O-CB 3.47Å; G119-S123 PolarHBondContact O-N 2.97Å; G119-S123 PolarHBondContact O-OG 3.44Å |
| 120 | C | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 169.2 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | L40 Y81 Y82 L116 V117 L118 V122 S123 C124 | L40-C120 HydrophobicContact CD2-CB 4.42Å; Y81-C120 HydrophobicContact CD1-CB 4.29Å; Y81-C120 HydrophobicContact CE1-CB 4.23Å; Y82-C120 WeakPolarHBondContact CE2-SG 3.36Å; L116-C120 PolarHBondContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 2.62Å; L116-C120 VanDerWaalsContact O-SG 3.33Å; V117-C120 WeakPolarHBondContact O-CB 3.36Å; V117-C120 PolarHBondContact O-N 3.46Å; L118-C120 VanDerWaalsContact C-N 3.32Å; L118-C120 PolarHBondContact O-N 3.16Å; C120-V122 PolarHBondContact O-N 2.76Å; C120-S123 PolarHBondContact O-N 3.12Å; C120-C124 WeakPolarHBondContact O-CB 3.16Å; C120-C124 PolarHBondContact O-N 2.93Å |
| 121 | A | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W15 I43 V117 L118 S123 C124 Q130 | W15-A121 HydrophobicContact CH2-CB 3.7Å; W15-A121 HydrophobicContact CZ2-CB 3.54Å; I43-A121 HydrophobicContact CD1-CB 3.77Å; I43-A121 HydrophobicContact CG1-CB 4.01Å; I43-A121 HydrophobicContact CG2-CB 4.41Å; V117-A121 PolarHBondContact O-N 3.47Å; L118-A121 WeakPolarHBondContact O-CB 3.38Å; L118-A121 PolarHBondContact O-N 3.46Å; A121-S123 VanDerWaalsContact C-N 3.32Å; A121-C124 PolarHBondContact O-SG 3.23Å; A121-Q130 HydrophobicContact CB-CB 4.43Å; A121-Q130 HydrophobicContact CB-CG 4.18Å |
| 122 | V | 90.2 | Very high | 89.2 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 9% | 0.085 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -81.9 | -11.9 | -179.5 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | L118 C120 K127 I134 I149 | L118-V122 HydrophobicContact CD1-CG1 4.03Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.33Å; C120-V122 PolarHBondContact O-N 2.76Å; V122-K127 WeakPolarHBondContact O-CB 3.4Å; V122-K127 WeakPolarHBondContact O-CD 3.35Å; V122-I134 HydrophobicContact CG1-CD1 3.96Å; V122-I149 HydrophobicContact CG1-CD1 3.77Å; V122-I149 HydrophobicContact CG1-CG1 4.24Å; V122-I149 HydrophobicContact CG2-CG1 4.25Å; V122-I149 HydrophobicContact CG2-CG2 4.26Å |
| 123 | S | 85.8 | Confident | 89 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -109 | -8.2 | -178.4 | -47 | 0 | 0 | 0 | 0 | 113.5 | L86 G119 C120 A121 | L86-S123 WeakPolarHBondContact CD2-O 3.39Å; G119-S123 WeakPolarHBondContact O-CB 3.47Å; G119-S123 PolarHBondContact O-N 2.97Å; G119-S123 PolarHBondContact O-OG 3.44Å; C120-S123 PolarHBondContact O-N 3.12Å; A121-S123 VanDerWaalsContact C-N 3.32Å |
| 124 | C | 86.8 | Confident | 88.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -70.9 | 169 | 177.1 | 73.3 | 0 | 0 | 0 | 0 | 113 | I43 Y81 C120 A121 K126 K127 | I43-C124 HydrophobicContact CG2-CB 4.01Å; Y81-C124 WeakPolarHBondContact OH-CB 3.45Å; C120-C124 WeakPolarHBondContact O-CB 3.16Å; C120-C124 PolarHBondContact O-N 2.93Å; A121-C124 PolarHBondContact O-SG 3.23Å; C124-K126 PolarHBondContact O-N 3.01Å; C124-K127 VanDerWaalsContact O-CB 3.25Å; C124-K127 WeakPolarHBondContact O-CB 3.38Å; C124-K127 WeakPolarHBondContact O-CG 3.46Å; C124-K127 PolarHBondContact O-N 3.38Å |
| 125 | E | 84.6 | Confident | 88.6 | Confident | 185 Ų | 185 | 52.2 Ų | 52.2 | 86% | 0.864 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.3 | 178.2 | -64.7 | -172.4 | 165.3 | 0 | 0 | 112.8 | K127 | E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 3.39Å |
| 126 | K | 84.8 | Confident | 88.5 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 21.7 | 178.2 | -62.1 | -175.3 | -178.8 | -178.8 | 0 | 113.7 | C124 Q128 E129 Q130 | C124-K126 PolarHBondContact O-N 3.01Å; K126-Q128 PolarHBondContact O-N 2.98Å; K126-E129 PolarHBondContact O-N 3.26Å; K126-Q130 PolarHBondContact O-N 2.67Å |
| 127 | K | 86.8 | Confident | 88.5 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 47% | 0.47 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -51.4 | -31.5 | -179.2 | 61.6 | -174.5 | 179.5 | -171.9 | 0 | 114.4 | V122 C124 E125 E129 Q130 I131 | V122-K127 WeakPolarHBondContact O-CB 3.4Å; V122-K127 WeakPolarHBondContact O-CD 3.35Å; C124-K127 VanDerWaalsContact O-CB 3.25Å; C124-K127 WeakPolarHBondContact O-CB 3.38Å; C124-K127 WeakPolarHBondContact O-CG 3.46Å; C124-K127 PolarHBondContact O-N 3.38Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 3.39Å; K127-E129 PolarHBondContact O-N 2.86Å; K127-Q130 PolarHBondContact O-N 2.97Å; K127-I131 HydrophobicContact CB-CD1 4.33Å; K127-I131 WeakPolarHBondContact O-CB 3.25Å; K127-I131 WeakPolarHBondContact O-CD1 3.27Å; K127-I131 WeakPolarHBondContact O-CG1 3.45Å; K127-I131 PolarHBondContact O-N 3.43Å |
| 128 | Q | 85.7 | Confident | 88.4 | Confident | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | -179.2 | -167.8 | 65.9 | 9.4 | 0 | 0 | 112.6 | K126 Q132 | K126-Q128 PolarHBondContact O-N 2.98Å; Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 VanDerWaalsContact O-CG 3.3Å; Q128-Q132 WeakPolarHBondContact O-CG 3.36Å; Q128-Q132 PolarHBondContact O-N 2.98Å |
| 129 | E | 87.9 | Confident | 88.2 | Confident | 121 Ų | 121 | 72.8 Ų | 72.8 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | 176.4 | -64.7 | 177.9 | 175.7 | 0 | 0 | 110.4 | K126 K127 Q132 Q133 | K126-E129 PolarHBondContact O-N 3.26Å; K127-E129 PolarHBondContact O-N 2.86Å; E129-Q132 PolarHBondContact O-N 3.04Å; E129-Q133 PolarHBondContact O-N 3.18Å |
| 130 | Q | 85.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.065 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178 | -66.4 | -65.7 | -16.4 | 0 | 0 | 112.4 | A121 K126 K127 Q133 I134 | A121-Q130 HydrophobicContact CB-CB 4.43Å; A121-Q130 HydrophobicContact CB-CG 4.18Å; K126-Q130 PolarHBondContact O-N 2.67Å; K127-Q130 PolarHBondContact O-N 2.97Å; Q130-Q133 WeakPolarHBondContact O-CB 3.33Å; Q130-Q133 PolarHBondContact O-N 3.08Å; Q130-I134 WeakPolarHBondContact O-CG1 3.32Å; Q130-I134 PolarHBondContact O-N 3.21Å |
| 131 | I | 88 | Confident | 88.1 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.5 | -68 | 163.8 | 0 | 0 | 0 | 110.5 | K127 Q133 I134 M135 | K127-I131 HydrophobicContact CB-CD1 4.33Å; K127-I131 WeakPolarHBondContact O-CB 3.25Å; K127-I131 WeakPolarHBondContact O-CD1 3.27Å; K127-I131 WeakPolarHBondContact O-CG1 3.45Å; K127-I131 PolarHBondContact O-N 3.43Å; I131-Q133 VanDerWaalsContact C-N 3.3Å; I131-Q133 PolarHBondContact O-N 3.11Å; I131-I134 WeakPolarHBondContact O-CB 3.1Å; I131-I134 PolarHBondContact O-N 3.49Å; I131-M135 WeakPolarHBondContact O-CG 3.5Å; I131-M135 PolarHBondContact O-N 2.96Å |
| 132 | Q | 88.3 | Confident | 87.9 | Confident | 113 Ų | 113 | 79.2 Ų | 79.2 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 174.5 | -76.6 | 176.2 | 2.3 | 0 | 0 | 112 | Q128 E129 M135 T136 | Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 VanDerWaalsContact O-CG 3.3Å; Q128-Q132 WeakPolarHBondContact O-CG 3.36Å; Q128-Q132 PolarHBondContact O-N 2.98Å; E129-Q132 PolarHBondContact O-N 3.04Å; Q132-M135 WeakPolarHBondContact O-CB 3.34Å; Q132-M135 PolarHBondContact O-N 2.59Å; Q132-T136 PolarHBondContact O-N 3.04Å |
| 133 | Q | 87.9 | Confident | 87.8 | Confident | 54 Ų | 54 | 84.6 Ų | 84.6 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.8 | -167.2 | 166.5 | 11.9 | 0 | 0 | 111.7 | T18 E129 Q130 I131 M135 T136 | T18-Q133 PolarHBondContact O-NE2 3.42Å; T18-Q133 PolarHBondContact OG1-NE2 3.35Å; E129-Q133 PolarHBondContact O-N 3.18Å; Q130-Q133 WeakPolarHBondContact O-CB 3.33Å; Q130-Q133 PolarHBondContact O-N 3.08Å; I131-Q133 VanDerWaalsContact C-N 3.3Å; I131-Q133 PolarHBondContact O-N 3.11Å; Q133-M135 VanDerWaalsContact C-N 3.28Å; Q133-M135 PolarHBondContact O-N 3Å; Q133-T136 PolarHBondContact O-N 2.83Å; Q133-T136 VanDerWaalsContact O-N 3.11Å; Q133-T136 PolarHBondContact O-OG1 3.48Å |
| 134 | I | 89.6 | Confident | 88 | Confident | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.082 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 172.8 | -67.9 | 163.3 | 0 | 0 | 0 | 111.1 | L118 V122 Q130 I131 T136 L137 Q142 V145 | L118-I134 HydrophobicContact CD1-CD1 3.87Å; V122-I134 HydrophobicContact CG1-CD1 3.96Å; Q130-I134 WeakPolarHBondContact O-CG1 3.32Å; Q130-I134 PolarHBondContact O-N 3.21Å; I131-I134 WeakPolarHBondContact O-CB 3.1Å; I131-I134 PolarHBondContact O-N 3.49Å; I134-T136 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact O-N 3.15Å; I134-L137 WeakPolarHBondContact O-CB 3.43Å; I134-L137 PolarHBondContact O-N 3.32Å; I134-L137 VanDerWaalsContact O-N 3.1Å; I134-Q142 WeakPolarHBondContact O-CG 3.49Å; I134-V145 HydrophobicContact CD1-CG1 3.9Å; I134-V145 HydrophobicContact CG1-CG1 4.16Å; I134-V145 HydrophobicContact CG2-CB 4.37Å; I134-V145 HydrophobicContact CG2-CG1 3.72Å |
| 135 | M | 88 | Confident | 88.1 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 64% | 0.64 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.4 | 178.6 | -68.1 | -176.9 | 71.9 | 0 | 0 | 114.5 | I131 Q132 Q133 Q142 | I131-M135 WeakPolarHBondContact O-CG 3.5Å; I131-M135 PolarHBondContact O-N 2.96Å; Q132-M135 WeakPolarHBondContact O-CB 3.34Å; Q132-M135 PolarHBondContact O-N 2.59Å; Q133-M135 VanDerWaalsContact C-N 3.28Å; Q133-M135 PolarHBondContact O-N 3Å; M135-Q142 VanDerWaalsContact C-NE2 3.34Å; M135-Q142 PolarHBondContact O-NE2 3.1Å |
| 136 | T | 90.4 | Very high | 88.2 | Confident | 113 Ų | 113 | 80 Ų | 80 | 69% | 0.693 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10 | 174.7 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | Q132 Q133 I134 | Q132-T136 PolarHBondContact O-N 3.04Å; Q133-T136 PolarHBondContact O-N 2.83Å; Q133-T136 VanDerWaalsContact O-N 3.11Å; Q133-T136 PolarHBondContact O-OG1 3.48Å; I134-T136 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact O-N 3.15Å |
| 137 | L | 91 | Very high | 88.4 | Confident | 25 Ų | 25 | 76.4 Ų | 76.4 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -74.7 | 168.8 | 179.7 | -63.7 | 176 | 0 | 0 | 0 | 111.9 | W15 T18 I134 V141 Q142 | W15-L137 HydrophobicContact CB-CD1 3.82Å; W15-L137 HydrophobicContact CG-CD1 4.28Å; T18-L137 HydrophobicContact CG2-CD2 3.69Å; I134-L137 WeakPolarHBondContact O-CB 3.43Å; I134-L137 PolarHBondContact O-N 3.32Å; I134-L137 VanDerWaalsContact O-N 3.1Å; L137-V141 HydrophobicContact CB-CB 4.39Å; L137-V141 HydrophobicContact CB-CG1 4.28Å; L137-V141 HydrophobicContact CD1-CG1 3.88Å; L137-Q142 HydrophobicContact CB-CG 4.18Å; L137-Q142 PolarHBondContact O-NE2 3.26Å |
| 138 | E | 92.5 | Very high | 88.3 | Confident | 140 Ų | 140 | 71.2 Ų | 71.2 | 65% | 0.654 | 36% | 0.357 | S | S | * | . | trans | -62.4 | 143.4 | 173.6 | -163.9 | -174.3 | 142.3 | 0 | 0 | 111.3 | S140 V141 Q142 | E138-S140 PolarHBondContact O-N 3.42Å; E138-S140 VanDerWaalsContact O-N 3.16Å; E138-S140 PolarHBondContact OE1-OG 2.92Å; E138-V141 HydrophobicContact CB-CG2 4.31Å; E138-V141 WeakPolarHBondContact O-CA 3.42Å; E138-V141 WeakPolarHBondContact O-CB 3.36Å; E138-V141 PolarHBondContact O-N 2.93Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 2.9Å | ||
| 139 | E | 86.9 | Confident | 88.4 | Confident | 163 Ų | 163 | 67.2 Ų | 67.2 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.1 | -36.3 | -177.1 | -169.5 | 179.1 | -178.2 | 0 | 0 | 112.9 | V141 Q142 H143 | E139-V141 VanDerWaalsContact C-N 3.34Å; E139-V141 PolarHBondContact O-N 3.22Å; E139-Q142 PolarHBondContact O-N 3.12Å; E139-H143 PolarHBondContact O-N 2.88Å |
| 140 | S | 87.8 | Confident | 88.2 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 175 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | E138 V144 | E138-S140 PolarHBondContact O-N 3.42Å; E138-S140 VanDerWaalsContact O-N 3.16Å; E138-S140 PolarHBondContact OE1-OG 2.92Å; S140-V144 WeakPolarHBondContact O-CG2 3.24Å |
| 141 | V | 90.1 | Very high | 88.2 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.8 | -42.4 | 176.9 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | S11 T14 L137 E138 E139 H143 V144 V145 | S11-V141 WeakPolarHBondContact O-CG1 3.46Å; T14-V141 HydrophobicContact CG2-CG2 4.43Å; L137-V141 HydrophobicContact CB-CB 4.39Å; L137-V141 HydrophobicContact CB-CG1 4.28Å; L137-V141 HydrophobicContact CD1-CG1 3.88Å; E138-V141 HydrophobicContact CB-CG2 4.31Å; E138-V141 WeakPolarHBondContact O-CA 3.42Å; E138-V141 WeakPolarHBondContact O-CB 3.36Å; E138-V141 PolarHBondContact O-N 2.93Å; E139-V141 VanDerWaalsContact C-N 3.34Å; E139-V141 PolarHBondContact O-N 3.22Å; V141-H143 VanDerWaalsContact C-N 3.27Å; V141-H143 PolarHBondContact O-N 3.37Å; V141-V144 PolarHBondContact O-N 2.95Å; V141-V145 HydrophobicContact CG1-CG2 4.14Å; V141-V145 VanDerWaalsContact O-CG2 3.3Å; V141-V145 WeakPolarHBondContact O-CG2 3.28Å; V141-V145 PolarHBondContact O-N 3.47Å |
| 142 | Q | 87.7 | Confident | 87.7 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 28% | 0.28 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.9 | -43.2 | 176.8 | -68.1 | -174.3 | 21.3 | 0 | 0 | 111.6 | I134 M135 L137 E138 E139 V144 V145 M146 | I134-Q142 WeakPolarHBondContact O-CG 3.49Å; M135-Q142 VanDerWaalsContact C-NE2 3.34Å; M135-Q142 PolarHBondContact O-NE2 3.1Å; L137-Q142 HydrophobicContact CB-CG 4.18Å; L137-Q142 PolarHBondContact O-NE2 3.26Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 2.9Å; E139-Q142 PolarHBondContact O-N 3.12Å; Q142-V144 PolarHBondContact O-N 3.13Å; Q142-V145 PolarHBondContact O-N 3.39Å; Q142-M146 VanDerWaalsContact O-CB 3.29Å; Q142-M146 WeakPolarHBondContact O-CB 3.36Å; Q142-M146 PolarHBondContact O-N 2.9Å |
| 143 | H | 86.6 | Confident | 87.1 | Confident | 128 Ų | 128 | 65 Ų | 65 | 59% | 0.593 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 179.4 | -169.9 | 65 | 0 | 0 | 0 | 112.6 | E139 V141 M146 T147 | E139-H143 PolarHBondContact O-N 2.88Å; V141-H143 VanDerWaalsContact C-N 3.27Å; V141-H143 PolarHBondContact O-N 3.37Å; H143-M146 PolarHBondContact O-N 2.96Å; H143-T147 PolarHBondContact O-N 2.93Å; H143-T147 PolarHBondContact O-OG1 2.93Å |
| 144 | V | 90 | Very high | 86.3 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L3 L8 S140 V141 Q142 M146 T147 A148 | L3-V144 HydrophobicContact CD2-CG1 4.06Å; L8-V144 HydrophobicContact CD1-CG1 4.03Å; S140-V144 WeakPolarHBondContact O-CG2 3.24Å; V141-V144 PolarHBondContact O-N 2.95Å; Q142-V144 PolarHBondContact O-N 3.13Å; V144-M146 PolarHBondContact O-N 3.45Å; V144-T147 PolarHBondContact O-N 3.1Å; V144-A148 WeakPolarHBondContact O-CB 3.03Å; V144-A148 PolarHBondContact O-N 2.86Å |
| 145 | V | 89.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L12 W15 L118 I134 V141 Q142 T147 A148 I149 | L12-V145 HydrophobicContact CD2-CG2 4.33Å; W15-V145 HydrophobicContact CB-CG2 4.49Å; L118-V145 HydrophobicContact CD1-CG1 3.92Å; L118-V145 HydrophobicContact CD2-CB 4.48Å; L118-V145 HydrophobicContact CD2-CG1 3.74Å; L118-V145 HydrophobicContact CG-CG1 4.47Å; I134-V145 HydrophobicContact CD1-CG1 3.9Å; I134-V145 HydrophobicContact CG1-CG1 4.16Å; I134-V145 HydrophobicContact CG2-CB 4.37Å; I134-V145 HydrophobicContact CG2-CG1 3.72Å; V141-V145 HydrophobicContact CG1-CG2 4.14Å; V141-V145 VanDerWaalsContact O-CG2 3.3Å; V141-V145 WeakPolarHBondContact O-CG2 3.28Å; V141-V145 PolarHBondContact O-N 3.47Å; Q142-V145 PolarHBondContact O-N 3.39Å; V145-T147 VanDerWaalsContact C-N 3.35Å; V145-T147 PolarHBondContact O-N 3.35Å; V145-A148 PolarHBondContact O-N 3.11Å; V145-I149 HydrophobicContact CG1-CD1 3.96Å; V145-I149 WeakPolarHBondContact O-CD1 3.24Å; V145-I149 VanDerWaalsContact O-CG1 3.29Å; V145-I149 WeakPolarHBondContact O-CG1 3.39Å; V145-I149 PolarHBondContact O-N 3.34Å |
| 146 | M | 87.6 | Confident | 82.3 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.9 | -178.1 | 175.6 | -178.7 | 0 | 0 | 111.8 | Q142 H143 V144 I149 Q150 | Q142-M146 VanDerWaalsContact O-CB 3.29Å; Q142-M146 WeakPolarHBondContact O-CB 3.36Å; Q142-M146 PolarHBondContact O-N 2.9Å; H143-M146 PolarHBondContact O-N 2.96Å; V144-M146 PolarHBondContact O-N 3.45Å; M146-I149 PolarHBondContact O-N 3.32Å; M146-Q150 WeakPolarHBondContact O-CG 3.49Å; M146-Q150 PolarHBondContact O-N 3.23Å |
| 147 | T | 87.7 | Confident | 79.9 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.5 | -38 | 178.7 | -46.5 | 0 | 0 | 0 | 0 | 110.9 | L3 H143 V144 V145 I149 Q150 E151 | L3-T147 HydrophobicContact CD1-CG2 3.35Å; H143-T147 PolarHBondContact O-N 2.93Å; H143-T147 PolarHBondContact O-OG1 2.93Å; V144-T147 PolarHBondContact O-N 3.1Å; V145-T147 VanDerWaalsContact C-N 3.35Å; V145-T147 PolarHBondContact O-N 3.35Å; T147-I149 VanDerWaalsContact C-N 3.34Å; T147-I149 PolarHBondContact O-N 2.82Å; T147-Q150 PolarHBondContact O-N 3.05Å; T147-E151 WeakPolarHBondContact O-CG 3.49Å; T147-E151 PolarHBondContact O-N 3.1Å |
| 148 | A | 86.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L8 Q115 L118 V144 V145 L152 | L8-A148 HydrophobicContact CD1-CB 3.69Å; Q115-A148 HydrophobicContact CG-CB 4.22Å; Q115-A148 PolarHBondContact NE2-O 3.19Å; L118-A148 HydrophobicContact CD2-CB 4.15Å; V144-A148 WeakPolarHBondContact O-CB 3.03Å; V144-A148 PolarHBondContact O-N 2.86Å; V145-A148 PolarHBondContact O-N 3.11Å; A148-L152 PolarHBondContact O-N 3Å |
| 149 | I | 86 | Confident | 74.4 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 18% | 0.179 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 173.1 | -66.5 | 160.8 | 0 | 0 | 0 | 110.3 | L118 V122 V145 M146 T147 E151 L152 L153 | L118-I149 HydrophobicContact CD1-CD1 4.48Å; L118-I149 HydrophobicContact CD2-CD1 4.37Å; L118-I149 HydrophobicContact CD2-CG1 3.84Å; L118-I149 HydrophobicContact CG-CG1 4.06Å; V122-I149 HydrophobicContact CG1-CD1 3.77Å; V122-I149 HydrophobicContact CG1-CG1 4.24Å; V122-I149 HydrophobicContact CG2-CG1 4.25Å; V122-I149 HydrophobicContact CG2-CG2 4.26Å; V145-I149 HydrophobicContact CG1-CD1 3.96Å; V145-I149 WeakPolarHBondContact O-CD1 3.24Å; V145-I149 VanDerWaalsContact O-CG1 3.29Å; V145-I149 WeakPolarHBondContact O-CG1 3.39Å; V145-I149 PolarHBondContact O-N 3.34Å; M146-I149 PolarHBondContact O-N 3.32Å; T147-I149 VanDerWaalsContact C-N 3.34Å; T147-I149 PolarHBondContact O-N 2.82Å; I149-E151 VanDerWaalsContact C-N 3.34Å; I149-E151 PolarHBondContact O-N 3.49Å; I149-L152 PolarHBondContact O-N 3.31Å; I149-L153 HydrophobicContact CG2-CD1 3.61Å; I149-L153 HydrophobicContact CG2-CG 4.21Å; I149-L153 WeakPolarHBondContact O-CB 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.4Å; I149-L153 PolarHBondContact O-N 2.95Å |
| 150 | Q | 85.8 | Confident | 71.7 | Confident | 107 Ų | 107 | 78.6 Ų | 78.6 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 177.9 | -74.7 | 177.1 | -12.5 | 0 | 0 | 112 | M146 T147 L153 A154 | M146-Q150 WeakPolarHBondContact O-CG 3.49Å; M146-Q150 PolarHBondContact O-N 3.23Å; T147-Q150 PolarHBondContact O-N 3.05Å; Q150-L153 PolarHBondContact O-N 3.29Å; Q150-A154 WeakPolarHBondContact O-CA 3.3Å; Q150-A154 WeakPolarHBondContact O-CB 3.42Å; Q150-A154 PolarHBondContact O-N 3.46Å |
| 151 | E | 84.7 | Confident | 69.4 | Low | 69 Ų | 69 | 82.2 Ų | 82.2 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175 | -75.7 | 178.8 | 167.6 | 0 | 0 | 112 | L3 Q115 T147 I149 | L3-E151 VanDerWaalsContact CD1-OE1 3.27Å; L3-E151 WeakPolarHBondContact CD1-OE1 3.47Å; Q115-E151 PolarHBondContact NE2-OE2 3.34Å; T147-E151 WeakPolarHBondContact O-CG 3.49Å; T147-E151 PolarHBondContact O-N 3.1Å; I149-E151 VanDerWaalsContact C-N 3.34Å; I149-E151 PolarHBondContact O-N 3.49Å |
| 152 | L | 78.4 | Confident | 66.9 | Low | 18 Ų | 18 | 85 Ų | 85 | 9% | 0.094 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -73.9 | -32.4 | 178.2 | -80.9 | 175.7 | 0 | 0 | 0 | 114.5 | Q88 H94 Q115 L116 A148 I149 | Q88-L152 PolarHBondContact NE2-O 3.43Å; H94-L152 HydrophobicContact CB-CD2 4.18Å; Q115-L152 HydrophobicContact CB-CD1 4.44Å; Q115-L152 HydrophobicContact CG-CD1 3.42Å; Q115-L152 VanDerWaalsContact CG-CD1 3.42Å; Q115-L152 HydrophobicContact CG-CD2 4.18Å; Q115-L152 HydrophobicContact CG-CG 3.65Å; Q115-L152 WeakPolarHBondContact O-CD1 3.46Å; L116-L152 HydrophobicContact CD2-CD2 3.84Å; A148-L152 PolarHBondContact O-N 3Å; I149-L152 PolarHBondContact O-N 3.31Å |
| 153 | L | 75.3 | Confident | 64.2 | Low | 74 Ų | 74 | 87 Ų | 87 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -102.4 | -4 | -176 | -62.3 | -177.3 | 0 | 0 | 0 | 113.1 | Q88 I149 Q150 K155 | Q88-L153 VanDerWaalsContact OE1-CD2 3.29Å; I149-L153 HydrophobicContact CG2-CD1 3.61Å; I149-L153 HydrophobicContact CG2-CG 4.21Å; I149-L153 WeakPolarHBondContact O-CB 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.4Å; I149-L153 PolarHBondContact O-N 2.95Å; Q150-L153 PolarHBondContact O-N 3.29Å; L153-K155 PolarHBondContact O-N 2.99Å |
| 154 | A | 70.1 | Confident | 62.4 | Low | 66 Ų | 66 | 87 Ų | 87 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | trans | -62.3 | 102.4 | 168 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q150 E156 | Q150-A154 WeakPolarHBondContact O-CA 3.3Å; Q150-A154 WeakPolarHBondContact O-CB 3.42Å; Q150-A154 PolarHBondContact O-N 3.46Å; A154-E156 PolarHBondContact O-N 3.4Å | ||
| 155 | K | 52.3 | Low | 60 | Low | 197 Ų | 197 | 94.3 Ų | 94.3 | 86% | 0.857 | 54% | 0.541 | S | S | * | . | trans | -55.4 | 108.1 | 166.5 | -83 | 179.7 | 172 | -179 | 0 | 106.8 | L153 P157 | L153-K155 PolarHBondContact O-N 2.99Å; K155-P157 WeakPolarHBondContact O-CD 3.49Å; K155-P157 VanDerWaalsContact O-N 3.14Å | ||
| 156 | E | 42.5 | Very low | 57.5 | Low | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | trans | -52.9 | 121.4 | 157.7 | -77.4 | -166.4 | 158.7 | 0 | 0 | 106.1 | A154 T158 | A154-E156 PolarHBondContact O-N 3.4Å; E156-T158 PolarHBondContact O-N 2.93Å | ||
| 157 | P | 39.5 | Very low | 55.6 | Low | 117 Ų | 117 | 107.8 Ų | 107.8 | 76% | 0.76 | 60% | 0.603 | S | S | * | * | trans | -59.8 | 111.8 | 169.7 | 24.7 | -29.2 | 0 | 0 | 0 | 105.1 | K155 S159 | K155-P157 WeakPolarHBondContact O-CD 3.49Å; K155-P157 VanDerWaalsContact O-N 3.14Å; P157-S159 VanDerWaalsContact C-N 3.32Å; P157-S159 PolarHBondContact O-N 3.3Å | ||
| 158 | T | 33.8 | Very low | 53.4 | Low | 135 Ų | 135 | 109.3 Ų | 109.3 | 83% | 0.828 | 63% | 0.625 | S | S | * | * | trans | -50.2 | 100.4 | 176.8 | 35.9 | 0 | 0 | 0 | 0 | 108.4 | E156 E160 | E156-T158 PolarHBondContact O-N 2.93Å; T158-E160 VanDerWaalsContact C-N 3.34Å; T158-E160 PolarHBondContact O-N 3.5Å | ||
| 159 | S | 34.6 | Very low | 51.2 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | trans | -72.8 | 91.2 | 176.2 | 41.1 | 0 | 0 | 0 | 0 | 108 | P157 P161 | P157-S159 VanDerWaalsContact C-N 3.32Å; P157-S159 PolarHBondContact O-N 3.3Å; S159-P161 WeakPolarHBondContact O-CD 3.28Å | ||
| 160 | E | 29.4 | Very low | 48.9 | Very low | 167 Ų | 167 | 123 Ų | 123 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | trans | -68.1 | 119.9 | 155.5 | -72 | -167.5 | 155.2 | 0 | 0 | 108 | T158 G162 | T158-E160 VanDerWaalsContact C-N 3.34Å; T158-E160 PolarHBondContact O-N 3.5Å; E160-G162 PolarHBondContact O-N 2.99Å | ||
| 161 | P | 39.9 | Very low | 47.3 | Very low | 140 Ų | 140 | 122.1 Ų | 122.1 | 91% | 0.909 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -81.2 | 89.8 | -178.8 | 30.9 | -29.7 | 0 | 0 | 0 | 108.8 | S159 | S159-P161 WeakPolarHBondContact O-CD 3.28Š|
| 162 | G | 38.5 | Very low | 45.5 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | 175.7 | 36.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | E160 | E160-G162 PolarHBondContact O-N 2.99Š| ||
| 163 | S | 29.5 | Very low | 43.9 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -150.3 | 133.8 | 157.4 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | E165 | S163-E165 PolarHBondContact O-N 3.45Š| ||
| 164 | P | 48.4 | Very low | 42.5 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -92.3 | 78.2 | -180 | 34.9 | -29.7 | 0 | 0 | 0 | 109.8 | ||||
| 165 | E | 41.3 | Very low | 41.6 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -168.7 | 98.3 | 167.6 | -110.3 | 160.4 | -143.8 | 0 | 0 | 110.3 | S163 | S163-E165 PolarHBondContact O-N 3.45Š| ||
| 166 | T | 36.5 | Very low | 41.3 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | -161.5 | 86 | 149.3 | -0.5 | 0 | 0 | 0 | 0 | 111 | G168 | T166-G168 VanDerWaalsContact C-N 3.32Å; T166-G168 PolarHBondContact O-N 2.85Å | ||
| 167 | Y | 46.7 | Very low | 41.4 | Very low | 251 Ų | 251 | 140.4 Ų | 140.4 | 98% | 0.984 | 75% | 0.745 | S | S | * | * | trans | -62.4 | 97.7 | 145.1 | -137.9 | -96.8 | 0 | 0 | 0 | 106 | ||||
| 168 | G | 42.1 | Very low | 41.8 | Very low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | -169.9 | 37.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T166 | T166-G168 VanDerWaalsContact C-N 3.32Å; T166-G168 PolarHBondContact O-N 2.85Å | ||
| 169 | D | 40.9 | Very low | 42.3 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -127.3 | 40 | 170.2 | -166.8 | 29.3 | 0 | 0 | 0 | 111.5 | ||
| 170 | F | 36.8 | Very low | 42.7 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | trans | -118.4 | 3.2 | 175.5 | -118.1 | -92.6 | 0 | 0 | 0 | 112.9 | S174 | F170-S174 VanDerWaalsContact O-CB 3.25Å; F170-S174 WeakPolarHBondContact O-CB 3.47Å; F170-S174 PolarHBondContact O-N 3.41Å; F170-S174 PolarHBondContact O-OG 2.84Å | ||
| 171 | D | 51.6 | Low | 43.7 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 48% | 0.476 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -86.5 | -17.7 | -168.7 | -156.6 | 42 | 0 | 0 | 0 | 115.3 | S174 R175 | D171-S174 WeakPolarHBondContact CA-OG 3.31Å; D171-S174 PolarHBondContact O-OG 3.12Å; D171-S174 PolarHBondContact OD1-OG 3.12Å; D171-R175 WeakPolarHBondContact O-CG 3.49Å; D171-R175 IonicContact OD1-NE 3.55Å; D171-R175 IonicContact OD2-CZ 2.95Å; D171-R175 IonicContact OD2-NE 3.96Å; D171-R175 PolarHBondContact OD2-NE 2.96Å; D171-R175 IonicContact OD2-NH2 3.87Å; D171-R175 PolarHBondContact OD2-NH2 3.09Å |
| 172 | Y | 46.6 | Very low | 44.1 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 88% | 0.878 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -85.6 | -22.4 | 178.6 | -140.9 | -93.1 | 0 | 0 | 0 | 113.1 | ||
| 173 | Q | 45.2 | Very low | 44.6 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -95.8 | -28.2 | 177.5 | -124.5 | 160.8 | -10.5 | 0 | 0 | 112.3 | ||
| 174 | S | 47.3 | Very low | 45.7 | Very low | 42 Ų | 42 | 139 Ų | 139 | 29% | 0.294 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -71 | -37.4 | 174 | 57.1 | 0 | 0 | 0 | 0 | 113 | F170 D171 K176 Y177 Y178 | F170-S174 VanDerWaalsContact O-CB 3.25Å; F170-S174 WeakPolarHBondContact O-CB 3.47Å; F170-S174 PolarHBondContact O-N 3.41Å; F170-S174 PolarHBondContact O-OG 2.84Å; D171-S174 WeakPolarHBondContact CA-OG 3.31Å; D171-S174 PolarHBondContact O-OG 3.12Å; D171-S174 PolarHBondContact OD1-OG 3.12Å; S174-K176 VanDerWaalsContact C-N 3.26Å; S174-K176 PolarHBondContact O-N 3.49Å; S174-Y177 CarbonylContact O-C 3.59Å; S174-Y177 PolarHBondContact O-N 3.32Å; S174-Y178 PolarHBondContact O-N 3.3Å |
| 175 | R | 50.3 | Low | 46 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.1 | -29.1 | 177 | -78.5 | 179.8 | -172.1 | -146 | -0.2 | 113.8 | D171 | D171-R175 WeakPolarHBondContact O-CG 3.49Å; D171-R175 IonicContact OD1-NE 3.55Å; D171-R175 IonicContact OD2-CZ 2.95Å; D171-R175 IonicContact OD2-NE 3.96Å; D171-R175 PolarHBondContact OD2-NE 2.96Å; D171-R175 IonicContact OD2-NH2 3.87Å; D171-R175 PolarHBondContact OD2-NH2 3.09Å |
| 176 | K | 46.7 | Very low | 46.8 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 70% | 0.704 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75 | -25.9 | 173.7 | -168.7 | 173.5 | -179.9 | 178.1 | 0 | 112.7 | S174 | S174-K176 VanDerWaalsContact C-N 3.26Å; S174-K176 PolarHBondContact O-N 3.49Å |
| 177 | Y | 44.7 | Very low | 47.9 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 74% | 0.737 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -86.3 | -29.2 | 175.6 | -113.2 | -88.4 | 0 | 0 | 0 | 112.7 | S174 L180 S181 | S174-Y177 CarbonylContact O-C 3.59Å; S174-Y177 PolarHBondContact O-N 3.32Å; Y177-L180 PolarHBondContact O-N 3.25Å; Y177-S181 WeakPolarHBondContact O-CB 3.29Å; Y177-S181 PolarHBondContact O-N 3.48Å; Y177-S181 VanDerWaalsContact O-N 3.12Å |
| 178 | Y | 47.3 | Very low | 48.8 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 65% | 0.651 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.7 | -41.9 | 179.7 | -143.6 | -93 | 0 | 0 | 0 | 112 | S174 L180 S181 E182 | S174-Y178 PolarHBondContact O-N 3.3Å; Y178-L180 VanDerWaalsContact C-N 3.28Å; Y178-L180 PolarHBondContact O-N 2.99Å; Y178-S181 PolarHBondContact O-N 3.25Å; Y178-S181 VanDerWaalsContact O-N 3.12Å; Y178-E182 PolarHBondContact O-N 2.95Å |
| 179 | F | 44.7 | Very low | 50.2 | Low | 155 Ų | 155 | 129.7 Ų | 129.7 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.7 | -27.8 | 176.8 | -106.4 | -85.1 | 0 | 0 | 0 | 113.9 | ||
| 180 | L | 43.2 | Very low | 51.7 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -86.6 | -18.6 | 175.5 | -70.7 | 169.8 | 0 | 0 | 0 | 112.9 | Y177 Y178 | Y177-L180 PolarHBondContact O-N 3.25Å; Y178-L180 VanDerWaalsContact C-N 3.28Å; Y178-L180 PolarHBondContact O-N 2.99Å |
| 181 | S | 49.2 | Very low | 53.4 | Low | 79 Ų | 79 | 122.7 Ų | 122.7 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -86.1 | -30.9 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | Y177 Y178 A184 G185 | Y177-S181 WeakPolarHBondContact O-CB 3.29Å; Y177-S181 PolarHBondContact O-N 3.48Å; Y177-S181 VanDerWaalsContact O-N 3.12Å; Y178-S181 PolarHBondContact O-N 3.25Å; Y178-S181 VanDerWaalsContact O-N 3.12Å; S181-A184 PolarHBondContact O-N 3.07Å; S181-G185 PolarHBondContact O-N 2.96Å |
| 182 | E | 48.5 | Very low | 54.7 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.1 | -43.2 | 177.5 | -133.7 | 171.5 | -174.4 | 0 | 0 | 111.2 | Y178 A184 G185 E186 | Y178-E182 PolarHBondContact O-N 2.95Å; E182-A184 VanDerWaalsContact C-N 3.28Å; E182-A184 PolarHBondContact O-N 3.43Å; E182-G185 PolarHBondContact O-N 3.49Å; E182-E186 WeakPolarHBondContact O-CG 3.35Å; E182-E186 PolarHBondContact O-N 3.22Å |
| 183 | E | 48.9 | Very low | 56.3 | Low | 136 Ų | 136 | 121.1 Ų | 121.1 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.3 | -30 | 173.7 | -77.5 | -173.3 | 153.7 | 0 | 0 | 113.3 | K187 | E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 PolarHBondContact O-N 2.92Å |
| 184 | A | 52.6 | Low | 57.7 | Low | 55 Ų | 55 | 117 Ų | 117 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.3 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S181 E182 K187 E188 | S181-A184 PolarHBondContact O-N 3.07Å; E182-A184 VanDerWaalsContact C-N 3.28Å; E182-A184 PolarHBondContact O-N 3.43Å; A184-K187 PolarHBondContact O-N 2.9Å; A184-E188 WeakPolarHBondContact O-CB 3.29Å; A184-E188 PolarHBondContact O-N 3.37Å; A184-E188 VanDerWaalsContact O-N 3.08Å |
| 185 | G | 56 | Low | 59.4 | Low | 28 Ų | 28 | 122 Ų | 122 | 29% | 0.289 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S181 E182 K187 E188 D189 | S181-G185 PolarHBondContact O-N 2.96Å; E182-G185 PolarHBondContact O-N 3.49Å; G185-K187 VanDerWaalsContact C-N 3.28Å; G185-K187 PolarHBondContact O-N 3.43Å; G185-E188 PolarHBondContact O-N 2.96Å; G185-E188 VanDerWaalsContact O-N 3.16Å; G185-D189 WeakPolarHBondContact O-CB 3.46Å; G185-D189 PolarHBondContact O-N 3.49Å |
| 186 | E | 57.7 | Low | 61.1 | Low | 124 Ų | 124 | 118 Ų | 118 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.5 | -35.9 | 177.3 | -71.8 | -175.6 | 168.4 | 0 | 0 | 112.5 | E182 L190 | E182-E186 WeakPolarHBondContact O-CG 3.35Å; E182-E186 PolarHBondContact O-N 3.22Å; E186-L190 WeakPolarHBondContact O-CB 3.4Å; E186-L190 WeakPolarHBondContact O-CD1 3.46Å; E186-L190 WeakPolarHBondContact O-CG 3.43Å; E186-L190 PolarHBondContact O-N 3.23Å |
| 187 | K | 60.1 | Low | 62.7 | Low | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -39.1 | 175.8 | -171.3 | 178.9 | 179.4 | -179.1 | 0 | 111.8 | E183 A184 G185 T191 | E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 PolarHBondContact O-N 2.92Å; A184-K187 PolarHBondContact O-N 2.9Å; G185-K187 VanDerWaalsContact C-N 3.28Å; G185-K187 PolarHBondContact O-N 3.43Å; K187-T191 PolarHBondContact O-N 3.32Å; K187-T191 PolarHBondContact O-OG1 3.01Å |
| 188 | E | 64.7 | Low | 64.4 | Low | 136 Ų | 136 | 112.3 Ų | 112.3 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.2 | -42 | 179.2 | -144.9 | 157.6 | -147 | 0 | 0 | 110.9 | A184 G185 T191 Q192 | A184-E188 WeakPolarHBondContact O-CB 3.29Å; A184-E188 PolarHBondContact O-N 3.37Å; A184-E188 VanDerWaalsContact O-N 3.08Å; G185-E188 PolarHBondContact O-N 2.96Å; G185-E188 VanDerWaalsContact O-N 3.16Å; E188-T191 VanDerWaalsContact CA-OG1 3.31Å; E188-T191 WeakPolarHBondContact CA-OG1 3.45Å; E188-T191 PolarHBondContact O-N 3.43Å; E188-T191 PolarHBondContact O-OG1 3.5Å; E188-Q192 WeakPolarHBondContact O-CB 3.47Å; E188-Q192 PolarHBondContact O-N 3.05Å |
| 189 | D | 71.8 | Confident | 66.3 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.1 | -75.5 | -17.2 | 0 | 0 | 0 | 112.5 | G185 Q192 R193 | G185-D189 WeakPolarHBondContact O-CB 3.46Å; G185-D189 PolarHBondContact O-N 3.49Å; D189-Q192 PolarHBondContact O-N 3.01Å; D189-R193 VanDerWaalsContact O-CB 3.28Å; D189-R193 WeakPolarHBondContact O-CB 3.38Å; D189-R193 PolarHBondContact O-N 3.21Å |
| 190 | L | 71.1 | Confident | 68.2 | Low | 116 Ų | 116 | 108.5 Ų | 108.5 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 173 | -82.6 | 164.9 | 0 | 0 | 0 | 111.8 | E186 R193 C194 | E186-L190 WeakPolarHBondContact O-CB 3.4Å; E186-L190 WeakPolarHBondContact O-CD1 3.46Å; E186-L190 WeakPolarHBondContact O-CG 3.43Å; E186-L190 PolarHBondContact O-N 3.23Å; L190-R193 PolarHBondContact O-N 3.02Å; L190-C194 PolarHBondContact O-N 2.89Å; L190-C194 PolarHBondContact O-SG 3.06Å; L190-C194 VanDerWaalsContact O-SG 3.38Å |
| 191 | T | 73.8 | Confident | 70.1 | Confident | 59 Ų | 59 | 108.9 Ų | 108.9 | 36% | 0.362 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 174.4 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | K187 E188 R195 | K187-T191 PolarHBondContact O-N 3.32Å; K187-T191 PolarHBondContact O-OG1 3.01Å; E188-T191 VanDerWaalsContact CA-OG1 3.31Å; E188-T191 WeakPolarHBondContact CA-OG1 3.45Å; E188-T191 PolarHBondContact O-N 3.43Å; E188-T191 PolarHBondContact O-OG1 3.5Å; T191-R195 WeakPolarHBondContact O-CG 3.49Å; T191-R195 PolarHBondContact O-N 2.62Å; T191-R195 VanDerWaalsContact O-N 3.11Å |
| 192 | Q | 78.6 | Confident | 71.8 | Confident | 99 Ų | 99 | 107.9 Ų | 107.9 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.3 | -159.2 | 77.6 | -1.8 | 0 | 0 | 110.2 | E188 D189 C194 R195 D196 | E188-Q192 WeakPolarHBondContact O-CB 3.47Å; E188-Q192 PolarHBondContact O-N 3.05Å; D189-Q192 PolarHBondContact O-N 3.01Å; Q192-C194 VanDerWaalsContact C-N 3.35Å; Q192-C194 PolarHBondContact O-N 3.07Å; Q192-R195 PolarHBondContact O-N 3.23Å; Q192-R195 VanDerWaalsContact O-N 3.15Å; Q192-D196 VanDerWaalsContact O-CG 3.32Å; Q192-D196 PolarHBondContact O-N 3.15Å |
| 193 | R | 80.6 | Confident | 73.7 | Confident | 182 Ų | 182 | 106.3 Ų | 106.3 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.2 | -34.3 | 179 | -153.4 | 167.2 | -170.9 | 169.5 | 2.1 | 112.9 | D189 L190 L197 | D189-R193 VanDerWaalsContact O-CB 3.28Å; D189-R193 WeakPolarHBondContact O-CB 3.38Å; D189-R193 PolarHBondContact O-N 3.21Å; L190-R193 PolarHBondContact O-N 3.02Å; R193-L197 WeakPolarHBondContact O-CB 3.22Å; R193-L197 VanDerWaalsContact O-CG 3.31Å; R193-L197 WeakPolarHBondContact O-CG 3.2Å; R193-L197 PolarHBondContact O-N 3.42Å |
| 194 | C | 74.9 | Confident | 75.5 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 48% | 0.48 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 170.9 | -77.2 | 0 | 0 | 0 | 0 | 112.2 | L190 Q192 L197 E198 | L190-C194 PolarHBondContact O-N 2.89Å; L190-C194 PolarHBondContact O-SG 3.06Å; L190-C194 VanDerWaalsContact O-SG 3.38Å; Q192-C194 VanDerWaalsContact C-N 3.35Å; Q192-C194 PolarHBondContact O-N 3.07Å; C194-L197 PolarHBondContact O-N 2.75Å; C194-E198 WeakPolarHBondContact O-CG 3.33Å; C194-E198 PolarHBondContact O-N 3.23Å |
| 195 | R | 82.4 | Confident | 77.1 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -39.6 | 176.1 | -70.6 | 174.6 | -171.6 | 142.7 | 1.8 | 112.2 | T191 Q192 E198 H199 | T191-R195 WeakPolarHBondContact O-CG 3.49Å; T191-R195 PolarHBondContact O-N 2.62Å; T191-R195 VanDerWaalsContact O-N 3.11Å; Q192-R195 PolarHBondContact O-N 3.23Å; Q192-R195 VanDerWaalsContact O-N 3.15Å; R195-E198 PolarHBondContact O-N 3.47Å; R195-H199 WeakPolarHBondContact O-CB 3.47Å; R195-H199 PolarHBondContact O-N 2.7Å |
| 196 | D | 84.8 | Confident | 78.6 | Confident | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 177.4 | -69.3 | -18.7 | 0 | 0 | 0 | 111.5 | Q192 H199 Q200 | Q192-D196 VanDerWaalsContact O-CG 3.32Å; Q192-D196 PolarHBondContact O-N 3.15Å; D196-H199 PolarHBondContact O-N 3.45Å; D196-Q200 WeakPolarHBondContact O-CG 3.4Å; D196-Q200 PolarHBondContact O-N 2.93Å |
| 197 | L | 81.6 | Confident | 79.9 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 174.5 | -76.3 | 170.1 | 0 | 0 | 0 | 112.5 | R193 C194 H199 Q200 L201 | R193-L197 WeakPolarHBondContact O-CB 3.22Å; R193-L197 VanDerWaalsContact O-CG 3.31Å; R193-L197 WeakPolarHBondContact O-CG 3.2Å; R193-L197 PolarHBondContact O-N 3.42Å; C194-L197 PolarHBondContact O-N 2.75Å; L197-H199 VanDerWaalsContact C-N 3.33Å; L197-Q200 PolarHBondContact O-N 2.95Å; L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 3.03Å |
| 198 | E | 80.6 | Confident | 81.1 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 173 | -75.9 | 176.1 | 174.2 | 0 | 0 | 111.6 | C194 R195 L201 S202 | C194-E198 WeakPolarHBondContact O-CG 3.33Å; C194-E198 PolarHBondContact O-N 3.23Å; R195-E198 PolarHBondContact O-N 3.47Å; E198-L201 PolarHBondContact O-N 3.16Å; E198-S202 PolarHBondContact O-N 3.43Å |
| 199 | H | 87.3 | Confident | 82 | Confident | 115 Ų | 115 | 103.9 Ų | 103.9 | 53% | 0.532 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 176 | -170.5 | 55.7 | 0 | 0 | 0 | 112.1 | R195 D196 L197 L201 S202 L203 | R195-H199 WeakPolarHBondContact O-CB 3.47Å; R195-H199 PolarHBondContact O-N 2.7Å; D196-H199 PolarHBondContact O-N 3.45Å; L197-H199 VanDerWaalsContact C-N 3.33Å; H199-L201 VanDerWaalsContact C-N 3.32Å; H199-L201 PolarHBondContact O-N 3.35Å; H199-S202 WeakPolarHBondContact O-CB 3.32Å; H199-S202 PolarHBondContact O-N 2.95Å; H199-L203 WeakPolarHBondContact O-CG 3.45Å; H199-L203 PolarHBondContact O-N 3.23Å |
| 200 | Q | 84.4 | Confident | 82.7 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 175.2 | -73.7 | 178.2 | 16.5 | 0 | 0 | 112.3 | D196 L197 G204 | D196-Q200 WeakPolarHBondContact O-CG 3.4Å; D196-Q200 PolarHBondContact O-N 2.93Å; L197-Q200 PolarHBondContact O-N 2.95Å; Q200-G204 PolarHBondContact O-N 3.03Å |
| 201 | L | 81.6 | Confident | 83.3 | Confident | 122 Ų | 122 | 100.5 Ų | 100.5 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 173.7 | -83.5 | 164.8 | 0 | 0 | 0 | 112.1 | L197 E198 H199 G204 V205 | L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 3.03Å; E198-L201 PolarHBondContact O-N 3.16Å; H199-L201 VanDerWaalsContact C-N 3.32Å; H199-L201 PolarHBondContact O-N 3.35Å; L201-G204 PolarHBondContact O-N 2.9Å; L201-V205 WeakPolarHBondContact O-CB 3.43Å; L201-V205 VanDerWaalsContact O-CG2 3.24Å; L201-V205 WeakPolarHBondContact O-CG2 3.36Å; L201-V205 PolarHBondContact O-N 3.2Å |
| 202 | S | 86.1 | Confident | 83.8 | Confident | 59 Ų | 59 | 103.5 Ų | 103.5 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 175.9 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | E198 H199 G204 V205 E206 | E198-S202 PolarHBondContact O-N 3.43Å; H199-S202 WeakPolarHBondContact O-CB 3.32Å; H199-S202 PolarHBondContact O-N 2.95Å; S202-G204 PolarHBondContact O-N 3.39Å; S202-V205 PolarHBondContact O-N 3.02Å; S202-E206 WeakPolarHBondContact O-CG 3.48Å; S202-E206 PolarHBondContact O-N 3.5Å |
| 203 | L | 88.3 | Confident | 84 | Confident | 73 Ų | 73 | 100.9 Ų | 100.9 | 38% | 0.382 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.1 | -69.5 | 174.7 | 0 | 0 | 0 | 111.4 | H199 V205 E206 E207 | H199-L203 WeakPolarHBondContact O-CG 3.45Å; H199-L203 PolarHBondContact O-N 3.23Å; L203-V205 VanDerWaalsContact C-N 3.31Å; L203-V205 PolarHBondContact O-N 3.23Å; L203-E206 PolarHBondContact O-N 3.49Å; L203-E207 WeakPolarHBondContact O-CB 3.45Å; L203-E207 WeakPolarHBondContact O-CG 3.49Å; L203-E207 PolarHBondContact O-N 2.85Å |
| 204 | G | 86.1 | Confident | 84.3 | Confident | 34 Ų | 34 | 97.4 Ų | 97.4 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -33.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q200 L201 S202 R208 | Q200-G204 PolarHBondContact O-N 3.03Å; L201-G204 PolarHBondContact O-N 2.9Å; S202-G204 PolarHBondContact O-N 3.39Å; G204-R208 VanDerWaalsContact O-CB 3.27Å; G204-R208 WeakPolarHBondContact O-CB 3.43Å; G204-R208 PolarHBondContact O-N 3.39Å |
| 205 | V | 87.8 | Confident | 84.5 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L201 S202 L203 R208 S209 | L201-V205 WeakPolarHBondContact O-CB 3.43Å; L201-V205 VanDerWaalsContact O-CG2 3.24Å; L201-V205 WeakPolarHBondContact O-CG2 3.36Å; L201-V205 PolarHBondContact O-N 3.2Å; S202-V205 PolarHBondContact O-N 3.02Å; L203-V205 VanDerWaalsContact C-N 3.31Å; L203-V205 PolarHBondContact O-N 3.23Å; V205-R208 PolarHBondContact O-N 3.14Å; V205-S209 WeakPolarHBondContact O-CB 3.45Å; V205-S209 PolarHBondContact O-N 3Å |
| 206 | E | 86.4 | Confident | 84.5 | Confident | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 175.1 | -73.9 | 175.9 | -169.9 | 0 | 0 | 111.4 | S202 L203 R208 S209 S210 | S202-E206 WeakPolarHBondContact O-CG 3.48Å; S202-E206 PolarHBondContact O-N 3.5Å; L203-E206 PolarHBondContact O-N 3.49Å; E206-R208 PolarHBondContact O-N 2.97Å; E206-S209 WeakPolarHBondContact O-CB 3.26Å; E206-S209 PolarHBondContact O-N 2.66Å; E206-S209 VanDerWaalsContact O-N 3.11Å; E206-S209 PolarHBondContact O-OG 3.39Å; E206-S210 PolarHBondContact O-N 2.77Å |
| 207 | E | 85.9 | Confident | 84.3 | Confident | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 174.9 | -73.8 | -179.2 | 171.6 | 0 | 0 | 112.2 | L203 S209 S210 L211 | L203-E207 WeakPolarHBondContact O-CB 3.45Å; L203-E207 WeakPolarHBondContact O-CG 3.49Å; L203-E207 PolarHBondContact O-N 2.85Å; E207-S209 VanDerWaalsContact C-N 3.26Å; E207-S209 PolarHBondContact O-N 3.48Å; E207-S210 WeakPolarHBondContact CA-OG 3.38Å; E207-S210 PolarHBondContact O-N 3.36Å; E207-S210 PolarHBondContact O-OG 2.99Å; E207-L211 WeakPolarHBondContact O-CB 3.5Å; E207-L211 VanDerWaalsContact O-CG 3.29Å; E207-L211 WeakPolarHBondContact O-CG 3.26Å; E207-L211 PolarHBondContact O-N 2.99Å |
| 208 | R | 84.3 | Confident | 84.1 | Confident | 169 Ų | 169 | 95.3 Ų | 95.3 | 64% | 0.638 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 175.1 | -170 | -176.6 | 68.9 | 161.9 | 0.5 | 111.1 | G204 V205 E206 Q212 | G204-R208 VanDerWaalsContact O-CB 3.27Å; G204-R208 WeakPolarHBondContact O-CB 3.43Å; G204-R208 PolarHBondContact O-N 3.39Å; V205-R208 PolarHBondContact O-N 3.14Å; E206-R208 PolarHBondContact O-N 2.97Å; R208-Q212 WeakPolarHBondContact O-CB 3.46Å; R208-Q212 PolarHBondContact O-N 3.37Å |
| 209 | S | 83.9 | Confident | 83.8 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 178.6 | 81.6 | 0 | 0 | 0 | 0 | 112.5 | V205 E206 E207 Q212 A213 | V205-S209 WeakPolarHBondContact O-CB 3.45Å; V205-S209 PolarHBondContact O-N 3Å; E206-S209 WeakPolarHBondContact O-CB 3.26Å; E206-S209 PolarHBondContact O-N 2.66Å; E206-S209 VanDerWaalsContact O-N 3.11Å; E206-S209 PolarHBondContact O-OG 3.39Å; E207-S209 VanDerWaalsContact C-N 3.26Å; E207-S209 PolarHBondContact O-N 3.48Å; S209-Q212 PolarHBondContact O-N 3.36Å; S209-A213 PolarHBondContact O-N 3.43Å |
| 210 | S | 86.8 | Confident | 82.9 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -44.6 | 177.6 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | E206 E207 Q212 A213 E214 | E206-S210 PolarHBondContact O-N 2.77Å; E207-S210 WeakPolarHBondContact CA-OG 3.38Å; E207-S210 PolarHBondContact O-N 3.36Å; E207-S210 PolarHBondContact O-OG 2.99Å; S210-Q212 VanDerWaalsContact C-N 3.29Å; S210-Q212 PolarHBondContact O-N 3.05Å; S210-A213 WeakPolarHBondContact O-CB 2.77Å; S210-A213 PolarHBondContact O-N 3.5Å; S210-E214 PolarHBondContact O-N 2.88Å |
| 211 | L | 84.1 | Confident | 82.2 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 172.4 | -70.9 | 171.5 | 0 | 0 | 0 | 111.5 | E207 A213 E214 V215 | E207-L211 WeakPolarHBondContact O-CB 3.5Å; E207-L211 VanDerWaalsContact O-CG 3.29Å; E207-L211 WeakPolarHBondContact O-CG 3.26Å; E207-L211 PolarHBondContact O-N 2.99Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 3.25Å; L211-E214 PolarHBondContact O-N 3.24Å; L211-V215 WeakPolarHBondContact O-CB 3.5Å; L211-V215 VanDerWaalsContact O-CG2 3.28Å; L211-V215 WeakPolarHBondContact O-CG2 3.22Å; L211-V215 PolarHBondContact O-N 3.25Å |
| 212 | Q | 83.6 | Confident | 81.1 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -30.4 | 174.5 | -121.1 | -179.9 | -2.5 | 0 | 0 | 113.3 | R208 S209 S210 R216 | R208-Q212 WeakPolarHBondContact O-CB 3.46Å; R208-Q212 PolarHBondContact O-N 3.37Å; S209-Q212 PolarHBondContact O-N 3.36Å; S210-Q212 VanDerWaalsContact C-N 3.29Å; S210-Q212 PolarHBondContact O-N 3.05Å; Q212-R216 PolarHBondContact O-N 3.03Å; Q212-R216 PolarHBondContact O-NE 3.47Å |
| 213 | A | 83.4 | Confident | 79.5 | Confident | 45 Ų | 45 | 101.1 Ų | 101.1 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.2 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S209 S210 L211 R216 S217 | S209-A213 PolarHBondContact O-N 3.43Å; S210-A213 WeakPolarHBondContact O-CB 2.77Å; S210-A213 PolarHBondContact O-N 3.5Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 3.25Å; A213-R216 WeakPolarHBondContact O-CB 3.38Å; A213-R216 PolarHBondContact O-N 3.01Å; A213-S217 PolarHBondContact O-N 3.01Å |
| 214 | E | 86.2 | Confident | 77.8 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.9 | -169 | 177.6 | -175.8 | 0 | 0 | 111.8 | S210 L211 R216 S217 L218 | S210-E214 PolarHBondContact O-N 2.88Å; L211-E214 PolarHBondContact O-N 3.24Å; E214-R216 VanDerWaalsContact C-N 3.25Å; E214-R216 PolarHBondContact O-N 2.94Å; E214-S217 CarbonylContact O-C 3.59Å; E214-S217 WeakPolarHBondContact O-CB 3.37Å; E214-S217 PolarHBondContact O-N 3.3Å; E214-S217 VanDerWaalsContact O-N 3.11Å; E214-L218 HydrophobicContact CG-CD1 4.05Å; E214-L218 HydrophobicContact CG-CG 4.3Å; E214-L218 WeakPolarHBondContact O-CB 3.42Å; E214-L218 WeakPolarHBondContact O-CG 3.41Å; E214-L218 PolarHBondContact O-N 3.15Å |
| 215 | V | 79.9 | Confident | 76 | Confident | 68 Ų | 68 | 110.1 Ų | 110.1 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | L211 R219 | L211-V215 WeakPolarHBondContact O-CB 3.5Å; L211-V215 VanDerWaalsContact O-CG2 3.28Å; L211-V215 WeakPolarHBondContact O-CG2 3.22Å; L211-V215 PolarHBondContact O-N 3.25Å; V215-R219 WeakPolarHBondContact O-CB 3.43Å; V215-R219 VanDerWaalsContact O-CG 3.26Å; V215-R219 WeakPolarHBondContact O-CG 3.42Å; V215-R219 PolarHBondContact O-N 3.29Å |
| 216 | R | 81.3 | Confident | 73.7 | Confident | 147 Ų | 147 | 113.4 Ų | 113.4 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -46.3 | 172.8 | -86.7 | 177.8 | -79.3 | 142.2 | -8.4 | 111.6 | Q212 A213 E214 L218 R219 E220 | Q212-R216 PolarHBondContact O-N 3.03Å; Q212-R216 PolarHBondContact O-NE 3.47Å; A213-R216 WeakPolarHBondContact O-CB 3.38Å; A213-R216 PolarHBondContact O-N 3.01Å; E214-R216 VanDerWaalsContact C-N 3.25Å; E214-R216 PolarHBondContact O-N 2.94Å; R216-L218 PolarHBondContact O-N 3.34Å; R216-R219 PolarHBondContact O-N 2.87Å; R216-E220 WeakPolarHBondContact O-CG 3.39Å; R216-E220 PolarHBondContact O-N 3.25Å |
| 217 | S | 81 | Confident | 71.8 | Confident | 57 Ų | 57 | 112.2 Ų | 112.2 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -42.1 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | A213 E214 E220 R221 | A213-S217 PolarHBondContact O-N 3.01Å; E214-S217 CarbonylContact O-C 3.59Å; E214-S217 WeakPolarHBondContact O-CB 3.37Å; E214-S217 PolarHBondContact O-N 3.3Å; E214-S217 VanDerWaalsContact O-N 3.11Å; S217-E220 PolarHBondContact O-N 2.94Å; S217-R221 WeakPolarHBondContact O-CB 3.27Å; S217-R221 WeakPolarHBondContact O-CG 3.44Å; S217-R221 PolarHBondContact O-N 3.33Å |
| 218 | L | 77.9 | Confident | 69.9 | Low | 80 Ų | 80 | 113.8 Ų | 113.8 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.9 | -37.6 | 177.4 | -72.5 | 173.9 | 0 | 0 | 0 | 112 | E214 R216 E220 R221 L222 | E214-L218 HydrophobicContact CG-CD1 4.05Å; E214-L218 HydrophobicContact CG-CG 4.3Å; E214-L218 WeakPolarHBondContact O-CB 3.42Å; E214-L218 WeakPolarHBondContact O-CG 3.41Å; E214-L218 PolarHBondContact O-N 3.15Å; R216-L218 PolarHBondContact O-N 3.34Å; L218-E220 VanDerWaalsContact C-N 3.35Å; L218-R221 PolarHBondContact O-N 3.42Å; L218-L222 WeakPolarHBondContact O-CB 3.05Å; L218-L222 PolarHBondContact O-N 3.16Å |
| 219 | R | 72.9 | Confident | 67.8 | Low | 181 Ų | 181 | 112 Ų | 112 | 68% | 0.683 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.7 | -38.5 | 172.1 | -76.3 | 176.1 | -177.3 | -170.7 | 1.5 | 111.9 | V215 R216 S223 | V215-R219 WeakPolarHBondContact O-CB 3.43Å; V215-R219 VanDerWaalsContact O-CG 3.26Å; V215-R219 WeakPolarHBondContact O-CG 3.42Å; V215-R219 PolarHBondContact O-N 3.29Å; R216-R219 PolarHBondContact O-N 2.87Å; R219-S223 WeakPolarHBondContact O-CB 3.43Å; R219-S223 PolarHBondContact O-N 3.19Å |
| 220 | E | 68.8 | Low | 66.1 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 58% | 0.575 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -39.6 | 173.7 | -74.5 | 175.5 | -170.2 | 0 | 0 | 112.2 | R216 S217 L218 S223 R224 | R216-E220 WeakPolarHBondContact O-CG 3.39Å; R216-E220 PolarHBondContact O-N 3.25Å; S217-E220 PolarHBondContact O-N 2.94Å; L218-E220 VanDerWaalsContact C-N 3.35Å; E220-S223 PolarHBondContact O-N 2.88Å; E220-S223 PolarHBondContact O-OG 3.49Å; E220-R224 WeakPolarHBondContact O-CG 3.33Å; E220-R224 PolarHBondContact O-N 2.98Å |
| 221 | R | 69.3 | Low | 64.4 | Low | 167 Ų | 167 | 116.7 Ų | 116.7 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -39.6 | 175.1 | -74.1 | 176.4 | 63.9 | -170.6 | -1.1 | 112.7 | S217 L218 S223 R224 S225 | S217-R221 WeakPolarHBondContact O-CB 3.27Å; S217-R221 WeakPolarHBondContact O-CG 3.44Å; S217-R221 PolarHBondContact O-N 3.33Å; L218-R221 PolarHBondContact O-N 3.42Å; R221-S223 VanDerWaalsContact C-N 3.33Å; R221-R224 PolarHBondContact O-N 3.03Å; R221-R224 VanDerWaalsContact O-N 3.14Å; R221-S225 PolarHBondContact O-N 3.08Å |
| 222 | L | 58.4 | Low | 62.9 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 176 | -168.2 | 67 | 0 | 0 | 0 | 110.5 | L218 R224 S225 | L218-L222 WeakPolarHBondContact O-CB 3.05Å; L218-L222 PolarHBondContact O-N 3.16Å; L222-R224 PolarHBondContact O-N 2.85Å; L222-S225 PolarHBondContact O-N 3.29Å; L222-S225 VanDerWaalsContact O-N 3.12Å |
| 223 | S | 53.4 | Low | 61.5 | Low | 87 Ų | 87 | 116.7 Ų | 116.7 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.5 | -18.5 | 173.4 | 75.8 | 0 | 0 | 0 | 0 | 114.4 | R219 E220 R221 | R219-S223 WeakPolarHBondContact O-CB 3.43Å; R219-S223 PolarHBondContact O-N 3.19Å; E220-S223 PolarHBondContact O-N 2.88Å; E220-S223 PolarHBondContact O-OG 3.49Å; R221-S223 VanDerWaalsContact C-N 3.33Å |
| 224 | R | 51.9 | Low | 60.1 | Low | 207 Ų | 207 | 119 Ų | 119 | 78% | 0.781 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -94.2 | -13.7 | 175.7 | -74.3 | 179.2 | 169.8 | -175.1 | -1.1 | 113.8 | E220 R221 L222 | E220-R224 WeakPolarHBondContact O-CG 3.33Å; E220-R224 PolarHBondContact O-N 2.98Å; R221-R224 PolarHBondContact O-N 3.03Å; R221-R224 VanDerWaalsContact O-N 3.14Å; L222-R224 PolarHBondContact O-N 2.85Å |
| 225 | S | 49.8 | Very low | 58.6 | Low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -94 | -5.6 | -173.7 | -164.1 | 0 | 0 | 0 | 0 | 114.1 | R221 L222 S227 | R221-S225 PolarHBondContact O-N 3.08Å; L222-S225 PolarHBondContact O-N 3.29Å; L222-S225 VanDerWaalsContact O-N 3.12Å; S225-S227 PolarHBondContact O-N 3.28Å |
| 226 | D | 39.1 | Very low | 57.8 | Low | 148 Ų | 148 | 120.5 Ų | 120.5 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -79.1 | 6.4 | 179.9 | -83.5 | -13.4 | 0 | 0 | 0 | 114.3 | ||
| 227 | S | 46.9 | Very low | 56.9 | Low | 89 Ų | 89 | 115.1 Ų | 115.1 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | trans | -132 | 84 | 172.4 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | S225 | S225-S227 PolarHBondContact O-N 3.28Š| ||
| 228 | L | 45.3 | Very low | 56.5 | Low | 157 Ų | 157 | 121 Ų | 121 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | trans | -175.3 | 93.2 | 146.9 | -101.7 | 139.5 | 0 | 0 | 0 | 112 | ||||
| 229 | D | 39.4 | Very low | 56.5 | Low | 132 Ų | 132 | 123.9 Ų | 123.9 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | 59.8 | 123.1 | 128.1 | -65.6 | -21.7 | 0 | 0 | 0 | 123.6 | T231 | D229-T231 PolarHBondContact O-N 2.87Š| |||
| 230 | A | 49.4 | Very low | 56.8 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -81.3 | 66.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 231 | T | 51 | Low | 57.5 | Low | 126 Ų | 126 | 119.7 Ų | 119.7 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | trans | -131.6 | 27.8 | -179.5 | -30.6 | 0 | 0 | 0 | 0 | 114.3 | D229 | D229-T231 PolarHBondContact O-N 2.87Š| ||
| 232 | T | 51.2 | Low | 58.4 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | trans | -120.6 | 10.4 | -174.2 | -10.5 | 0 | 0 | 0 | 0 | 115.3 | A234 T236 | T232-A234 PolarHBondContact O-N 3.3Å; T232-T236 WeakPolarHBondContact O-CB 3.25Å; T232-T236 WeakPolarHBondContact O-CG2 3.31Å; T232-T236 PolarHBondContact O-OG1 2.78Å | ||
| 233 | T | 55.5 | Low | 59.7 | Low | 123 Ų | 123 | 116 Ų | 116 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -10.2 | -163.1 | -28.8 | 0 | 0 | 0 | 0 | 116.2 | T236 | T233-T236 VanDerWaalsContact CA-OG1 3.28Å; T233-T236 WeakPolarHBondContact CA-OG1 3.28Å; T233-T236 PolarHBondContact O-OG1 2.95Å; T233-T236 VanDerWaalsContact O-OG1 3.06Å |
| 234 | A | 54.1 | Low | 61.4 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -35.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T232 T236 | T232-A234 PolarHBondContact O-N 3.3Å; A234-T236 VanDerWaalsContact C-N 3.26Å |
| 235 | I | 55.1 | Low | 63.2 | Low | 152 Ų | 152 | 109 Ų | 109 | 78% | 0.779 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.7 | -22.4 | 172.3 | -64.9 | 172 | 0 | 0 | 0 | 110.8 | ||
| 236 | T | 61.2 | Low | 65.3 | Low | 56 Ų | 56 | 109.6 Ų | 109.6 | 34% | 0.344 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.9 | -37.2 | 172.9 | 34.5 | 0 | 0 | 0 | 0 | 112.7 | T232 T233 A234 K238 K239 L240 | T232-T236 WeakPolarHBondContact O-CB 3.25Å; T232-T236 WeakPolarHBondContact O-CG2 3.31Å; T232-T236 PolarHBondContact O-OG1 2.78Å; T233-T236 VanDerWaalsContact CA-OG1 3.28Å; T233-T236 WeakPolarHBondContact CA-OG1 3.28Å; T233-T236 PolarHBondContact O-OG1 2.95Å; T233-T236 VanDerWaalsContact O-OG1 3.06Å; A234-T236 VanDerWaalsContact C-N 3.26Å; T236-K238 PolarHBondContact O-N 2.85Å; T236-K239 CarbonylContact O-C 3.57Å; T236-K239 PolarHBondContact O-N 2.96Å; T236-L240 WeakPolarHBondContact O-CA 3.32Å; T236-L240 WeakPolarHBondContact O-CB 3.07Å; T236-L240 PolarHBondContact O-N 3.31Å |
| 237 | G | 62.8 | Low | 67.7 | Low | 35 Ų | 35 | 107.7 Ų | 107.7 | 36% | 0.361 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.9 | -47.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | L240 L241 | G237-L240 PolarHBondContact O-N 3.36Å; G237-L241 PolarHBondContact O-N 2.78Å |
| 238 | K | 73.3 | Confident | 69.9 | Low | 180 Ų | 180 | 108.6 Ų | 108.6 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -38 | 176.5 | -76.6 | -176.2 | 178.2 | 179.1 | 0 | 112.5 | T236 L240 L241 L242 | T236-K238 PolarHBondContact O-N 2.85Å; K238-L240 VanDerWaalsContact C-N 3.27Å; K238-L240 PolarHBondContact O-N 3.29Å; K238-L241 PolarHBondContact O-N 2.91Å; K238-L242 PolarHBondContact O-N 3.25Å; K238-L242 VanDerWaalsContact O-N 3.09Å |
| 239 | K | 78.2 | Confident | 72.3 | Confident | 141 Ų | 141 | 107 Ų | 107 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.4 | -35.8 | 173.5 | -171.8 | 175.7 | 177.7 | -179.5 | 0 | 110.9 | T236 L243 | T236-K239 CarbonylContact O-C 3.57Å; T236-K239 PolarHBondContact O-N 2.96Å; K239-L243 HydrophobicContact CG-CD1 4.06Å; K239-L243 VanDerWaalsContact O-CB 3.27Å; K239-L243 WeakPolarHBondContact O-CB 3.42Å; K239-L243 WeakPolarHBondContact O-CD1 3.2Å; K239-L243 WeakPolarHBondContact O-CG 3.41Å; K239-L243 PolarHBondContact O-N 3.41Å |
| 240 | L | 78.1 | Confident | 74.9 | Confident | 104 Ų | 104 | 105.4 Ų | 105.4 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.8 | -41 | 178.4 | -172.2 | 140.1 | 0 | 0 | 0 | 111.1 | T236 G237 K238 L243 Q244 | T236-L240 WeakPolarHBondContact O-CA 3.32Å; T236-L240 WeakPolarHBondContact O-CB 3.07Å; T236-L240 PolarHBondContact O-N 3.31Å; G237-L240 PolarHBondContact O-N 3.36Å; K238-L240 VanDerWaalsContact C-N 3.27Å; K238-L240 PolarHBondContact O-N 3.29Å; L240-L243 PolarHBondContact O-N 3.5Å; L240-Q244 WeakPolarHBondContact O-CB 3.49Å; L240-Q244 PolarHBondContact O-N 3.01Å |
| 241 | L | 84.7 | Confident | 77 | Confident | 112 Ų | 112 | 105.9 Ų | 105.9 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.3 | -42.1 | 172.1 | -78.1 | 167.7 | 0 | 0 | 0 | 113.2 | G237 K238 Q244 S245 | G237-L241 PolarHBondContact O-N 2.78Å; K238-L241 PolarHBondContact O-N 2.91Å; L241-Q244 PolarHBondContact O-N 3.36Å; L241-S245 PolarHBondContact O-N 3.09Å |
| 242 | L | 87.1 | Confident | 79.1 | Confident | 115 Ų | 115 | 107 Ų | 107 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -42.7 | 175.8 | -177.7 | 66.8 | 0 | 0 | 0 | 111.6 | K238 Q244 S245 Q246 | K238-L242 PolarHBondContact O-N 3.25Å; K238-L242 VanDerWaalsContact O-N 3.09Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.88Å; L242-S245 PolarHBondContact O-N 3.45Å; L242-Q246 PolarHBondContact O-N 3.19Å |
| 243 | L | 86.7 | Confident | 81.2 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -37 | 173.8 | -75.3 | 168.8 | 0 | 0 | 0 | 111.5 | K239 L240 Q246 M247 | K239-L243 HydrophobicContact CG-CD1 4.06Å; K239-L243 VanDerWaalsContact O-CB 3.27Å; K239-L243 WeakPolarHBondContact O-CB 3.42Å; K239-L243 WeakPolarHBondContact O-CD1 3.2Å; K239-L243 WeakPolarHBondContact O-CG 3.41Å; K239-L243 PolarHBondContact O-N 3.41Å; L240-L243 PolarHBondContact O-N 3.5Å; L243-Q246 PolarHBondContact O-N 3.02Å; L243-M247 WeakPolarHBondContact O-CB 3.38Å; L243-M247 PolarHBondContact O-N 3.25Å |
| 244 | Q | 88.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 106.6 Ų | 106.6 | 44% | 0.435 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67 | -44 | 177.7 | -168.1 | 170.5 | 8 | 0 | 0 | 111.4 | L240 L241 L242 M247 E248 | L240-Q244 WeakPolarHBondContact O-CB 3.49Å; L240-Q244 PolarHBondContact O-N 3.01Å; L241-Q244 PolarHBondContact O-N 3.36Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.88Å; Q244-M247 WeakPolarHBondContact O-CB 3.5Å; Q244-M247 PolarHBondContact O-N 2.93Å; Q244-M247 VanDerWaalsContact O-N 3.16Å; Q244-E248 WeakPolarHBondContact O-CG 3.27Å; Q244-E248 PolarHBondContact O-N 3.35Å |
| 245 | S | 89.3 | Confident | 85 | Confident | 54 Ų | 54 | 109.1 Ų | 109.1 | 38% | 0.378 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | L241 L242 M247 E248 Q249 | L241-S245 PolarHBondContact O-N 3.09Å; L242-S245 PolarHBondContact O-N 3.45Å; S245-M247 VanDerWaalsContact C-N 3.31Å; S245-E248 PolarHBondContact O-N 3.42Å; S245-Q249 WeakPolarHBondContact O-CG 3.42Å; S245-Q249 PolarHBondContact O-N 2.97Å |
| 246 | Q | 93 | Very high | 87 | Confident | 102 Ų | 102 | 111.4 Ų | 111.4 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 170.9 | -87.9 | -173.7 | -19.7 | 0 | 0 | 112 | L242 L243 Q249 L250 | L242-Q246 PolarHBondContact O-N 3.19Å; L243-Q246 PolarHBondContact O-N 3.02Å; Q246-Q249 PolarHBondContact O-N 3.03Å; Q246-L250 WeakPolarHBondContact O-CB 3.49Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.36Å; Q246-L250 PolarHBondContact O-N 3.24Å |
| 247 | M | 90.9 | Very high | 88.6 | Confident | 108 Ų | 108 | 114.6 Ų | 114.6 | 53% | 0.532 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.6 | -42.1 | 177 | -150.9 | -165.9 | 104.4 | 0 | 0 | 110.9 | L243 Q244 S245 L250 Q251 | L243-M247 WeakPolarHBondContact O-CB 3.38Å; L243-M247 PolarHBondContact O-N 3.25Å; Q244-M247 WeakPolarHBondContact O-CB 3.5Å; Q244-M247 PolarHBondContact O-N 2.93Å; Q244-M247 VanDerWaalsContact O-N 3.16Å; S245-M247 VanDerWaalsContact C-N 3.31Å; M247-L250 PolarHBondContact O-N 3.05Å; M247-Q251 HydrophobicContact CE-CG 4.41Å; M247-Q251 WeakPolarHBondContact O-CB 3.34Å; M247-Q251 WeakPolarHBondContact O-CG 3.38Å; M247-Q251 PolarHBondContact O-N 2.81Å |
| 248 | E | 92.9 | Very high | 90.1 | Very high | 107 Ų | 107 | 117 Ų | 117 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -44.5 | 175.1 | -73.7 | 169.2 | -175.7 | 0 | 0 | 111.9 | Q244 S245 Q251 E252 | Q244-E248 WeakPolarHBondContact O-CG 3.27Å; Q244-E248 PolarHBondContact O-N 3.35Å; S245-E248 PolarHBondContact O-N 3.42Å; E248-Q251 WeakPolarHBondContact O-CB 3.44Å; E248-Q251 PolarHBondContact O-N 3.36Å; E248-E252 PolarHBondContact O-N 2.92Å |
| 249 | Q | 94.8 | Very high | 91.2 | Very high | 124 Ų | 124 | 111.6 Ų | 111.6 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 175.2 | -76.2 | -179 | -21.7 | 0 | 0 | 112.5 | S245 Q246 Q251 E252 E253 | S245-Q249 WeakPolarHBondContact O-CG 3.42Å; S245-Q249 PolarHBondContact O-N 2.97Å; Q246-Q249 PolarHBondContact O-N 3.03Å; Q249-Q251 VanDerWaalsContact C-N 3.28Å; Q249-Q251 PolarHBondContact O-N 3.44Å; Q249-E252 PolarHBondContact O-N 2.95Å; Q249-E253 WeakPolarHBondContact O-CB 3.28Å; Q249-E253 PolarHBondContact O-N 2.91Å |
| 250 | L | 94 | Very high | 92.1 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -31.1 | 175.9 | -73.2 | 171.9 | 0 | 0 | 0 | 112.2 | Q246 M247 N254 | Q246-L250 WeakPolarHBondContact O-CB 3.49Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.36Å; Q246-L250 PolarHBondContact O-N 3.24Å; M247-L250 PolarHBondContact O-N 3.05Å; L250-N254 VanDerWaalsContact O-CB 3.26Å; L250-N254 WeakPolarHBondContact O-CB 3.5Å; L250-N254 PolarHBondContact O-N 3.17Å; L250-N254 PolarHBondContact O-ND2 2.91Å |
| 251 | Q | 94.8 | Very high | 93 | Very high | 108 Ų | 108 | 107.9 Ų | 107.9 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 172.9 | -81.3 | 177.2 | -32.8 | 0 | 0 | 111.4 | M247 E248 Q249 N254 Y255 | M247-Q251 HydrophobicContact CE-CG 4.41Å; M247-Q251 WeakPolarHBondContact O-CB 3.34Å; M247-Q251 WeakPolarHBondContact O-CG 3.38Å; M247-Q251 PolarHBondContact O-N 2.81Å; E248-Q251 WeakPolarHBondContact O-CB 3.44Å; E248-Q251 PolarHBondContact O-N 3.36Å; Q249-Q251 VanDerWaalsContact C-N 3.28Å; Q249-Q251 PolarHBondContact O-N 3.44Å; Q251-N254 PolarHBondContact O-N 2.98Å; Q251-Y255 PolarHBondContact O-N 3.01Å |
| 252 | E | 94.6 | Very high | 93.6 | Very high | 149 Ų | 149 | 105.6 Ų | 105.6 | 70% | 0.696 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -39 | 178.5 | -168.9 | 162.2 | -166.7 | 0 | 0 | 112.1 | E248 Q249 Y255 R256 | E248-E252 PolarHBondContact O-N 2.92Å; Q249-E252 PolarHBondContact O-N 2.95Å; E252-Y255 PolarHBondContact O-N 3.24Å; E252-R256 WeakPolarHBondContact O-CB 3.5Å; E252-R256 PolarHBondContact O-N 3.28Å |
| 253 | E | 94.9 | Very high | 94 | Very high | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 170 | -78.5 | -170.9 | 157.4 | 0 | 0 | 112.1 | Q249 R256 L257 | Q249-E253 WeakPolarHBondContact O-CB 3.28Å; Q249-E253 PolarHBondContact O-N 2.91Å; E253-R256 PolarHBondContact O-N 3.25Å; E253-L257 WeakPolarHBondContact O-CB 3.4Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.44Å; E253-L257 PolarHBondContact O-N 3.13Å |
| 254 | N | 92.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 107.2 Ų | 107.2 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 173.8 | -94.7 | -66.2 | 0 | 0 | 0 | 111.4 | L250 Q251 R256 L257 E258 | L250-N254 VanDerWaalsContact O-CB 3.26Å; L250-N254 WeakPolarHBondContact O-CB 3.5Å; L250-N254 PolarHBondContact O-N 3.17Å; L250-N254 PolarHBondContact O-ND2 2.91Å; Q251-N254 PolarHBondContact O-N 2.98Å; N254-R256 VanDerWaalsContact C-N 3.28Å; N254-R256 PolarHBondContact O-N 3.04Å; N254-L257 CarbonylContact O-C 3.58Å; N254-L257 PolarHBondContact O-N 3.4Å; N254-L257 VanDerWaalsContact O-N 3.15Å; N254-E258 WeakPolarHBondContact O-CB 3.27Å; N254-E258 VanDerWaalsContact O-CG 3.29Å; N254-E258 WeakPolarHBondContact O-CG 3.45Å; N254-E258 PolarHBondContact O-N 3.23Å |
| 255 | Y | 96.4 | Very high | 94.9 | Very high | 147 Ų | 147 | 110.7 Ų | 110.7 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 178.5 | -175.9 | -104.4 | 0 | 0 | 0 | 111.9 | Q251 E252 E258 N259 | Q251-Y255 PolarHBondContact O-N 3.01Å; E252-Y255 PolarHBondContact O-N 3.24Å; Y255-E258 PolarHBondContact O-N 2.86Å; Y255-N259 WeakPolarHBondContact CE1-ND2 3.35Å; Y255-N259 WeakPolarHBondContact O-CB 3.38Å; Y255-N259 VanDerWaalsContact O-CG 3.28Å; Y255-N259 PolarHBondContact O-N 3.06Å; Y255-N259 PolarHBondContact O-ND2 2.62Å |
| 256 | R | 97.1 | Very high | 95.3 | Very high | 200 Ų | 200 | 112 Ų | 112 | 76% | 0.755 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 175.5 | -172.3 | 179.2 | 179.1 | 158.7 | 1.1 | 112.2 | E252 E253 N254 G260 | E252-R256 WeakPolarHBondContact O-CB 3.5Å; E252-R256 PolarHBondContact O-N 3.28Å; E253-R256 PolarHBondContact O-N 3.25Å; N254-R256 VanDerWaalsContact C-N 3.28Å; N254-R256 PolarHBondContact O-N 3.04Å; R256-G260 PolarHBondContact O-N 3.34Å |
| 257 | L | 95 | Very high | 95.5 | Very high | 122 Ų | 122 | 115.1 Ų | 115.1 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 176.4 | -72.4 | 172.9 | 0 | 0 | 0 | 111.7 | E253 N254 G260 R261 | E253-L257 WeakPolarHBondContact O-CB 3.4Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.44Å; E253-L257 PolarHBondContact O-N 3.13Å; N254-L257 CarbonylContact O-C 3.58Å; N254-L257 PolarHBondContact O-N 3.4Å; N254-L257 VanDerWaalsContact O-N 3.15Å; L257-G260 PolarHBondContact O-N 3.42Å; L257-R261 VanDerWaalsContact O-CB 3.28Å; L257-R261 WeakPolarHBondContact O-CB 3.31Å; L257-R261 PolarHBondContact O-N 3.49Å |
| 258 | E | 95.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 112 Ų | 112 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 174.8 | -76.6 | 177.6 | 161.9 | 0 | 0 | 110.9 | N254 Y255 G260 R261 D262 | N254-E258 WeakPolarHBondContact O-CB 3.27Å; N254-E258 VanDerWaalsContact O-CG 3.29Å; N254-E258 WeakPolarHBondContact O-CG 3.45Å; N254-E258 PolarHBondContact O-N 3.23Å; Y255-E258 PolarHBondContact O-N 2.86Å; E258-G260 VanDerWaalsContact C-N 3.34Å; E258-G260 PolarHBondContact O-N 3.5Å; E258-R261 WeakPolarHBondContact O-CB 3.45Å; E258-R261 PolarHBondContact O-N 2.72Å; E258-D262 WeakPolarHBondContact O-CB 3.44Å; E258-D262 PolarHBondContact O-N 2.95Å |
| 259 | N | 96.1 | Very high | 96 | Very high | 66 Ų | 66 | 109.7 Ų | 109.7 | 35% | 0.353 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.3 | -70.7 | -15.6 | 0 | 0 | 0 | 111.7 | Y255 R261 D262 D263 | Y255-N259 WeakPolarHBondContact CE1-ND2 3.35Å; Y255-N259 WeakPolarHBondContact O-CB 3.38Å; Y255-N259 VanDerWaalsContact O-CG 3.28Å; Y255-N259 PolarHBondContact O-N 3.06Å; Y255-N259 PolarHBondContact O-ND2 2.62Å; N259-R261 VanDerWaalsContact C-N 3.34Å; N259-R261 PolarHBondContact O-N 2.94Å; N259-D262 PolarHBondContact O-N 2.99Å; N259-D263 PolarHBondContact O-N 3.43Å |
| 260 | G | 97.2 | Very high | 96.1 | Very high | 31 Ų | 31 | 108.4 Ų | 108.4 | 32% | 0.32 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R256 L257 E258 L264 | R256-G260 PolarHBondContact O-N 3.34Å; L257-G260 PolarHBondContact O-N 3.42Å; E258-G260 VanDerWaalsContact C-N 3.34Å; E258-G260 PolarHBondContact O-N 3.5Å; G260-L264 WeakPolarHBondContact O-CB 3.36Å; G260-L264 VanDerWaalsContact O-CG 3.27Å; G260-L264 WeakPolarHBondContact O-CG 3.42Å; G260-L264 PolarHBondContact O-N 3.33Å; G260-L264 VanDerWaalsContact O-N 3.08Å |
| 261 | R | 97 | Very high | 96.3 | Very high | 137 Ų | 137 | 107.9 Ų | 107.9 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 173.5 | -178.8 | -158.9 | 68.1 | -157.7 | -6.2 | 110.7 | L257 E258 N259 L264 R265 | L257-R261 VanDerWaalsContact O-CB 3.28Å; L257-R261 WeakPolarHBondContact O-CB 3.31Å; L257-R261 PolarHBondContact O-N 3.49Å; E258-R261 WeakPolarHBondContact O-CB 3.45Å; E258-R261 PolarHBondContact O-N 2.72Å; N259-R261 VanDerWaalsContact C-N 3.34Å; N259-R261 PolarHBondContact O-N 2.94Å; R261-L264 PolarHBondContact O-N 3.01Å; R261-R265 WeakPolarHBondContact O-CB 3.41Å; R261-R265 PolarHBondContact O-N 3.09Å |
| 262 | D | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 109 Ų | 109 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | -178.2 | -67.6 | -8.5 | 0 | 0 | 0 | 111.2 | E258 N259 R265 V266 | E258-D262 WeakPolarHBondContact O-CB 3.44Å; E258-D262 PolarHBondContact O-N 2.95Å; N259-D262 PolarHBondContact O-N 2.99Å; D262-R265 WeakPolarHBondContact O-CB 3.36Å; D262-R265 PolarHBondContact O-N 2.86Å; D262-V266 WeakPolarHBondContact O-CG2 3.46Å; D262-V266 PolarHBondContact O-N 3.22Å |
| 263 | D | 97.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 109.1 Ų | 109.1 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 171.3 | -75 | -22 | 0 | 0 | 0 | 112.1 | N259 R265 V266 R267 | N259-D263 PolarHBondContact O-N 3.43Å; D263-R265 VanDerWaalsContact C-N 3.32Å; D263-V266 PolarHBondContact O-N 3.05Å; D263-R267 WeakPolarHBondContact O-CB 3.47Å; D263-R267 PolarHBondContact O-N 3.16Å |
| 264 | L | 96.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 108.7 Ų | 108.7 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -37.3 | 175.7 | -74.5 | 174.1 | 0 | 0 | 0 | 111.7 | G260 R261 R267 A268 | G260-L264 WeakPolarHBondContact O-CB 3.36Å; G260-L264 VanDerWaalsContact O-CG 3.27Å; G260-L264 WeakPolarHBondContact O-CG 3.42Å; G260-L264 PolarHBondContact O-N 3.33Å; G260-L264 VanDerWaalsContact O-N 3.08Å; R261-L264 PolarHBondContact O-N 3.01Å; L264-R267 PolarHBondContact O-N 3.46Å; L264-A268 WeakPolarHBondContact O-CB 2.83Å; L264-A268 PolarHBondContact O-N 3.5Å |
| 265 | R | 98 | Very high | 96.9 | Very high | 166 Ų | 166 | 108.1 Ų | 108.1 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -47.5 | 175.4 | -174.2 | -179.7 | -177.5 | 159.2 | 3.7 | 111.3 | R261 D262 D263 R267 A268 D269 | R261-R265 WeakPolarHBondContact O-CB 3.41Å; R261-R265 PolarHBondContact O-N 3.09Å; D262-R265 WeakPolarHBondContact O-CB 3.36Å; D262-R265 PolarHBondContact O-N 2.86Å; D263-R265 VanDerWaalsContact C-N 3.32Å; R265-R267 VanDerWaalsContact C-N 3.27Å; R265-R267 PolarHBondContact O-N 3.36Å; R265-A268 WeakPolarHBondContact O-CB 3.35Å; R265-A268 PolarHBondContact O-N 2.88Å; R265-D269 PolarHBondContact O-N 3.23Å |
| 266 | V | 97.6 | Very high | 97 | Very high | 83 Ų | 83 | 103.4 Ų | 103.4 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | D262 D263 D269 M270 | D262-V266 WeakPolarHBondContact O-CG2 3.46Å; D262-V266 PolarHBondContact O-N 3.22Å; D263-V266 PolarHBondContact O-N 3.05Å; V266-D269 PolarHBondContact O-N 3.49Å; V266-M270 HydrophobicContact CG1-CE 4.48Å; V266-M270 WeakPolarHBondContact O-CG 3.17Å; V266-M270 PolarHBondContact O-N 3.2Å |
| 267 | R | 97.4 | Very high | 97 | Very high | 167 Ų | 167 | 98.3 Ų | 98.3 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.6 | -38.7 | 176.8 | -168.1 | 171.5 | -174.4 | 163.3 | 1.6 | 112.8 | D263 L264 R265 M270 L271 | D263-R267 WeakPolarHBondContact O-CB 3.47Å; D263-R267 PolarHBondContact O-N 3.16Å; L264-R267 PolarHBondContact O-N 3.46Å; R265-R267 VanDerWaalsContact C-N 3.27Å; R265-R267 PolarHBondContact O-N 3.36Å; R267-M270 HydrophobicContact CB-CE 4.49Å; R267-M270 PolarHBondContact O-N 3.48Å; R267-L271 HydrophobicContact CG-CD1 4.41Å; R267-L271 WeakPolarHBondContact O-CG 3.31Å; R267-L271 PolarHBondContact O-N 3.1Å |
| 268 | A | 96.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 98.1 Ų | 98.1 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L264 R265 M270 L271 E272 | L264-A268 WeakPolarHBondContact O-CB 2.83Å; L264-A268 PolarHBondContact O-N 3.5Å; R265-A268 WeakPolarHBondContact O-CB 3.35Å; R265-A268 PolarHBondContact O-N 2.88Å; A268-M270 VanDerWaalsContact C-N 3.26Å; A268-M270 PolarHBondContact O-N 3.35Å; A268-L271 PolarHBondContact O-N 3.38Å; A268-L271 VanDerWaalsContact O-N 3.13Å; A268-E272 WeakPolarHBondContact O-CG 3.36Å; A268-E272 PolarHBondContact O-N 3.33Å |
| 269 | D | 97.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 99.4 Ų | 99.4 | 32% | 0.316 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -33.7 | 177.7 | -65.9 | -3 | 0 | 0 | 0 | 112.4 | R265 V266 R273 | R265-D269 PolarHBondContact O-N 3.23Å; V266-D269 PolarHBondContact O-N 3.49Å; D269-R273 VanDerWaalsContact C-NH1 3.31Å; D269-R273 WeakPolarHBondContact O-CG 3.37Å; D269-R273 PolarHBondContact O-N 3.05Å; D269-R273 PolarHBondContact O-NH1 3.39Å |
| 270 | M | 97.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 101.4 Ų | 101.4 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -45.5 | 174.5 | -73.6 | -169.3 | -57.6 | 0 | 0 | 111.8 | V266 R267 A268 E272 R273 E274 | V266-M270 HydrophobicContact CG1-CE 4.48Å; V266-M270 WeakPolarHBondContact O-CG 3.17Å; V266-M270 PolarHBondContact O-N 3.2Å; R267-M270 HydrophobicContact CB-CE 4.49Å; R267-M270 PolarHBondContact O-N 3.48Å; A268-M270 VanDerWaalsContact C-N 3.26Å; A268-M270 PolarHBondContact O-N 3.35Å; M270-E272 VanDerWaalsContact C-N 3.33Å; M270-E272 PolarHBondContact O-N 2.9Å; M270-R273 PolarHBondContact O-N 3.22Å; M270-E274 PolarHBondContact O-N 3.07Å |
| 271 | L | 97.3 | Very high | 97.4 | Very high | 89 Ų | 89 | 107.7 Ų | 107.7 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 177.6 | -71.4 | 171 | 0 | 0 | 0 | 111.7 | R267 A268 R273 E274 V275 | R267-L271 HydrophobicContact CG-CD1 4.41Å; R267-L271 WeakPolarHBondContact O-CG 3.31Å; R267-L271 PolarHBondContact O-N 3.1Å; A268-L271 PolarHBondContact O-N 3.38Å; A268-L271 VanDerWaalsContact O-N 3.13Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 2.83Å; L271-E274 PolarHBondContact O-N 3Å; L271-V275 WeakPolarHBondContact O-CB 3.47Å; L271-V275 VanDerWaalsContact O-CG2 3.28Å; L271-V275 WeakPolarHBondContact O-CG2 3.35Å; L271-V275 PolarHBondContact O-N 3.49Å |
| 272 | E | 97.4 | Very high | 97.3 | Very high | 131 Ų | 131 | 106 Ų | 106 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 174 | -75.5 | 177.9 | -175.6 | 0 | 0 | 111.8 | A268 M270 V275 A276 | A268-E272 WeakPolarHBondContact O-CG 3.36Å; A268-E272 PolarHBondContact O-N 3.33Å; M270-E272 VanDerWaalsContact C-N 3.33Å; M270-E272 PolarHBondContact O-N 2.9Å; E272-V275 PolarHBondContact O-N 3.49Å; E272-A276 WeakPolarHBondContact O-CB 3.31Å; E272-A276 PolarHBondContact O-N 2.93Å |
| 273 | R | 97.9 | Very high | 97.4 | Very high | 151 Ų | 151 | 109.3 Ų | 109.3 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 173.7 | -72 | -179.3 | -167.8 | 93.6 | -2.8 | 112.2 | D269 M270 L271 V275 A276 D277 | D269-R273 VanDerWaalsContact C-NH1 3.31Å; D269-R273 WeakPolarHBondContact O-CG 3.37Å; D269-R273 PolarHBondContact O-N 3.05Å; D269-R273 PolarHBondContact O-NH1 3.39Å; M270-R273 PolarHBondContact O-N 3.22Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 2.83Å; R273-V275 VanDerWaalsContact C-N 3.3Å; R273-V275 PolarHBondContact O-N 3.33Å; R273-A276 PolarHBondContact O-N 3.49Å; R273-D277 PolarHBondContact O-N 2.86Å |
| 274 | E | 97.8 | Very high | 97.4 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 176.8 | -73.1 | 178.4 | -176.4 | 0 | 0 | 112 | M270 L271 D277 L278 | M270-E274 PolarHBondContact O-N 3.07Å; L271-E274 PolarHBondContact O-N 3Å; E274-D277 PolarHBondContact O-N 2.9Å; E274-L278 WeakPolarHBondContact O-CB 3.32Å; E274-L278 VanDerWaalsContact O-CG 3.24Å; E274-L278 WeakPolarHBondContact O-CG 3.45Å; E274-L278 PolarHBondContact O-N 2.93Å |
| 275 | V | 97.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 107.7 Ų | 107.7 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L271 E272 R273 L278 Q279 | L271-V275 WeakPolarHBondContact O-CB 3.47Å; L271-V275 VanDerWaalsContact O-CG2 3.28Å; L271-V275 WeakPolarHBondContact O-CG2 3.35Å; L271-V275 PolarHBondContact O-N 3.49Å; E272-V275 PolarHBondContact O-N 3.49Å; R273-V275 VanDerWaalsContact C-N 3.3Å; R273-V275 PolarHBondContact O-N 3.33Å; V275-L278 PolarHBondContact O-N 2.91Å; V275-Q279 HydrophobicContact CG1-CG 4.41Å; V275-Q279 WeakPolarHBondContact O-CB 3.48Å; V275-Q279 VanDerWaalsContact O-CG 3.26Å; V275-Q279 WeakPolarHBondContact O-CG 3.43Å; V275-Q279 PolarHBondContact O-N 2.99Å |
| 276 | A | 97.7 | Very high | 97.5 | Very high | 48 Ų | 48 | 102.8 Ų | 102.8 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E272 R273 L278 Q279 Q280 | E272-A276 WeakPolarHBondContact O-CB 3.31Å; E272-A276 PolarHBondContact O-N 2.93Å; R273-A276 PolarHBondContact O-N 3.49Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 3.22Å; A276-Q279 WeakPolarHBondContact O-CB 3.45Å; A276-Q279 PolarHBondContact O-N 3.45Å; A276-Q280 PolarHBondContact O-N 3.46Å |
| 277 | D | 97.9 | Very high | 97.5 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 177.4 | -72.8 | -10.4 | 0 | 0 | 0 | 111.9 | R273 E274 R281 | R273-D277 PolarHBondContact O-N 2.86Å; E274-D277 PolarHBondContact O-N 2.9Å; D277-R281 PolarHBondContact O-N 3.19Å |
| 278 | L | 97.4 | Very high | 97.5 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 175.5 | -74.3 | 173.8 | 0 | 0 | 0 | 112.2 | E274 V275 A276 R281 N282 | E274-L278 WeakPolarHBondContact O-CB 3.32Å; E274-L278 VanDerWaalsContact O-CG 3.24Å; E274-L278 WeakPolarHBondContact O-CG 3.45Å; E274-L278 PolarHBondContact O-N 2.93Å; V275-L278 PolarHBondContact O-N 2.91Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 3.22Å; L278-R281 PolarHBondContact O-N 2.97Å; L278-N282 WeakPolarHBondContact O-CB 3.45Å; L278-N282 PolarHBondContact O-N 3.35Å |
| 279 | Q | 97.4 | Very high | 97.5 | Very high | 114 Ų | 114 | 99.2 Ų | 99.2 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 174.3 | -77.5 | 171.5 | -13.9 | 0 | 0 | 110.9 | V275 A276 R281 N282 E283 | V275-Q279 HydrophobicContact CG1-CG 4.41Å; V275-Q279 WeakPolarHBondContact O-CB 3.48Å; V275-Q279 VanDerWaalsContact O-CG 3.26Å; V275-Q279 WeakPolarHBondContact O-CG 3.43Å; V275-Q279 PolarHBondContact O-N 2.99Å; A276-Q279 WeakPolarHBondContact O-CB 3.45Å; A276-Q279 PolarHBondContact O-N 3.45Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.92Å; Q279-N282 WeakPolarHBondContact O-CA 3.33Å; Q279-N282 WeakPolarHBondContact O-CB 3.21Å; Q279-N282 PolarHBondContact O-N 3.4Å; Q279-E283 WeakPolarHBondContact O-CG 3.47Å; Q279-E283 PolarHBondContact O-N 3.16Å |
| 280 | Q | 97.9 | Very high | 97.5 | Very high | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 176.1 | -175.1 | -173.6 | -20.1 | 0 | 0 | 111.3 | A276 N282 E283 E284 | A276-Q280 PolarHBondContact O-N 3.46Å; Q280-N282 VanDerWaalsContact C-N 3.25Å; Q280-N282 PolarHBondContact O-N 2.93Å; Q280-E283 PolarHBondContact O-N 3.48Å; Q280-E284 PolarHBondContact NE2-OE1 3.21Å; Q280-E284 WeakPolarHBondContact O-CG 3.46Å; Q280-E284 PolarHBondContact O-N 2.95Å |
| 281 | R | 97.9 | Very high | 97.5 | Very high | 163 Ų | 163 | 104.1 Ų | 104.1 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -35.6 | 175.6 | -105.7 | -178.1 | 179.2 | 100.2 | 2.7 | 113 | D277 L278 Q279 L285 | D277-R281 PolarHBondContact O-N 3.19Å; L278-R281 PolarHBondContact O-N 2.97Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.92Å; R281-L285 WeakPolarHBondContact O-CB 3.48Å; R281-L285 VanDerWaalsContact O-CG 3.26Å; R281-L285 WeakPolarHBondContact O-CG 3.43Å; R281-L285 PolarHBondContact O-N 3.21Å |
| 282 | N | 96.2 | Very high | 97.5 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 178 | -149.6 | -41.1 | 0 | 0 | 0 | 110.6 | L278 Q279 Q280 E284 L285 T286 | L278-N282 WeakPolarHBondContact O-CB 3.45Å; L278-N282 PolarHBondContact O-N 3.35Å; Q279-N282 WeakPolarHBondContact O-CA 3.33Å; Q279-N282 WeakPolarHBondContact O-CB 3.21Å; Q279-N282 PolarHBondContact O-N 3.4Å; Q280-N282 VanDerWaalsContact C-N 3.25Å; Q280-N282 PolarHBondContact O-N 2.93Å; N282-E284 PolarHBondContact O-N 2.89Å; N282-L285 PolarHBondContact O-N 3Å; N282-T286 WeakPolarHBondContact O-CG2 3.33Å; N282-T286 PolarHBondContact O-N 3.09Å; N282-T286 PolarHBondContact O-OG1 3.24Å |
| 283 | E | 97.8 | Very high | 97.5 | Very high | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 174 | -69 | 171.9 | -175.2 | 0 | 0 | 112.4 | Q279 Q280 T286 S287 | Q279-E283 WeakPolarHBondContact O-CG 3.47Å; Q279-E283 PolarHBondContact O-N 3.16Å; Q280-E283 PolarHBondContact O-N 3.48Å; E283-T286 WeakPolarHBondContact CA-OG1 3.32Å; E283-T286 PolarHBondContact O-N 3.07Å; E283-T286 PolarHBondContact O-OG1 2.86Å; E283-S287 WeakPolarHBondContact O-CB 3.5Å; E283-S287 PolarHBondContact O-N 2.59Å; E283-S287 PolarHBondContact O-OG 3.49Å |
| 284 | E | 98 | Very high | 97.5 | Very high | 94 Ų | 94 | 95.8 Ų | 95.8 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174 | -72.3 | 171.8 | -170.2 | 0 | 0 | 111.2 | Q280 N282 T286 S287 L288 | Q280-E284 PolarHBondContact NE2-OE1 3.21Å; Q280-E284 WeakPolarHBondContact O-CG 3.46Å; Q280-E284 PolarHBondContact O-N 2.95Å; N282-E284 PolarHBondContact O-N 2.89Å; E284-T286 PolarHBondContact O-N 3.1Å; E284-S287 PolarHBondContact O-N 3.06Å; E284-S287 PolarHBondContact O-OG 3.16Å; E284-L288 PolarHBondContact O-N 3.25Å |
| 285 | L | 97.4 | Very high | 97.4 | Very high | 116 Ų | 116 | 95.3 Ų | 95.3 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | 177.7 | -73.6 | 171.6 | 0 | 0 | 0 | 112.9 | R281 N282 A289 | R281-L285 WeakPolarHBondContact O-CB 3.48Å; R281-L285 VanDerWaalsContact O-CG 3.26Å; R281-L285 WeakPolarHBondContact O-CG 3.43Å; R281-L285 PolarHBondContact O-N 3.21Å; N282-L285 PolarHBondContact O-N 3Å; L285-A289 WeakPolarHBondContact O-CB 3.43Å; L285-A289 PolarHBondContact O-N 2.97Å |
| 286 | T | 97.3 | Very high | 97.5 | Very high | 64 Ų | 64 | 97.3 Ų | 97.3 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | N282 E283 E284 A289 H290 | N282-T286 WeakPolarHBondContact O-CG2 3.33Å; N282-T286 PolarHBondContact O-N 3.09Å; N282-T286 PolarHBondContact O-OG1 3.24Å; E283-T286 WeakPolarHBondContact CA-OG1 3.32Å; E283-T286 PolarHBondContact O-N 3.07Å; E283-T286 PolarHBondContact O-OG1 2.86Å; E284-T286 PolarHBondContact O-N 3.1Å; T286-A289 PolarHBondContact O-N 3.39Å; T286-H290 PolarHBondContact O-CD2 3.3Å; T286-H290 PolarHBondContact O-N 3.31Å |
| 287 | S | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 98.7 Ų | 98.7 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.3 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | E283 E284 A289 H290 E291 | E283-S287 WeakPolarHBondContact O-CB 3.5Å; E283-S287 PolarHBondContact O-N 2.59Å; E283-S287 PolarHBondContact O-OG 3.49Å; E284-S287 PolarHBondContact O-N 3.06Å; E284-S287 PolarHBondContact O-OG 3.16Å; S287-A289 VanDerWaalsContact C-N 3.32Å; S287-A289 PolarHBondContact O-N 3.09Å; S287-H290 WeakPolarHBondContact O-CB 3.35Å; S287-H290 PolarHBondContact O-N 3.1Å; S287-E291 PolarHBondContact O-N 3.45Å |
| 288 | L | 98 | Very high | 97.5 | Very high | 99 Ų | 99 | 99.5 Ų | 99.5 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | 175.2 | -78.8 | 164.4 | 0 | 0 | 0 | 112.5 | E284 H290 E291 A292 | E284-L288 PolarHBondContact O-N 3.25Å; L288-H290 VanDerWaalsContact C-N 3.35Å; L288-E291 PolarHBondContact O-N 3.27Å; L288-A292 WeakPolarHBondContact O-CB 3.38Å; L288-A292 PolarHBondContact O-N 3.15Å |
| 289 | A | 96.7 | Very high | 97.5 | Very high | 60 Ų | 60 | 98.7 Ų | 98.7 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L285 T286 S287 Q293 | L285-A289 WeakPolarHBondContact O-CB 3.43Å; L285-A289 PolarHBondContact O-N 2.97Å; T286-A289 PolarHBondContact O-N 3.39Å; S287-A289 VanDerWaalsContact C-N 3.32Å; S287-A289 PolarHBondContact O-N 3.09Å; A289-Q293 WeakPolarHBondContact O-CB 3.4Å; A289-Q293 PolarHBondContact O-N 3.42Å |
| 290 | H | 97.3 | Very high | 97.5 | Very high | 139 Ų | 139 | 95.8 Ų | 95.8 | 64% | 0.644 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 173.9 | -70.4 | -48.6 | 0 | 0 | 0 | 112.1 | T286 S287 L288 Q293 A294 | T286-H290 PolarHBondContact O-CD2 3.3Å; T286-H290 PolarHBondContact O-N 3.31Å; S287-H290 WeakPolarHBondContact O-CB 3.35Å; S287-H290 PolarHBondContact O-N 3.1Å; L288-H290 VanDerWaalsContact C-N 3.35Å; H290-Q293 PolarHBondContact O-N 2.91Å; H290-A294 PolarHBondContact O-N 3.12Å |
| 291 | E | 97.8 | Very high | 97.5 | Very high | 120 Ų | 120 | 95.7 Ų | 95.7 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 174.4 | -72.3 | 179.8 | -179.1 | 0 | 0 | 112.1 | S287 L288 Q293 A294 L295 | S287-E291 PolarHBondContact O-N 3.45Å; L288-E291 PolarHBondContact O-N 3.27Å; E291-Q293 VanDerWaalsContact C-N 3.26Å; E291-Q293 PolarHBondContact O-N 2.82Å; E291-A294 PolarHBondContact O-N 3.29Å; E291-L295 WeakPolarHBondContact O-CG 3.29Å; E291-L295 PolarHBondContact O-N 2.96Å |
| 292 | A | 96.9 | Very high | 97.4 | Very high | 60 Ų | 60 | 92.4 Ų | 92.4 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -35.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L288 K296 | L288-A292 WeakPolarHBondContact O-CB 3.38Å; L288-A292 PolarHBondContact O-N 3.15Å; A292-K296 WeakPolarHBondContact O-CB 3.34Å; A292-K296 PolarHBondContact O-N 3.17Å; A292-K296 VanDerWaalsContact O-N 3.16Å |
| 293 | Q | 97.6 | Very high | 97.5 | Very high | 89 Ų | 89 | 95.2 Ų | 95.2 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 174.4 | -174.4 | 57.7 | 43.8 | 0 | 0 | 111.4 | A289 H290 E291 L295 K296 D297 | A289-Q293 WeakPolarHBondContact O-CB 3.4Å; A289-Q293 PolarHBondContact O-N 3.42Å; H290-Q293 PolarHBondContact O-N 2.91Å; E291-Q293 VanDerWaalsContact C-N 3.26Å; E291-Q293 PolarHBondContact O-N 2.82Å; Q293-L295 PolarHBondContact O-N 2.93Å; Q293-K296 WeakPolarHBondContact O-CB 3.49Å; Q293-K296 PolarHBondContact O-N 3.16Å; Q293-K296 VanDerWaalsContact O-N 3.09Å; Q293-D297 PolarHBondContact NE2-OD1 2.76Å; Q293-D297 VanDerWaalsContact O-CG 3.26Å; Q293-D297 PolarHBondContact O-N 3.4Å |
| 294 | A | 96.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 95.6 Ų | 95.6 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H290 E291 K296 D297 E298 | H290-A294 PolarHBondContact O-N 3.12Å; E291-A294 PolarHBondContact O-N 3.29Å; A294-K296 VanDerWaalsContact C-N 3.27Å; A294-K296 PolarHBondContact O-N 2.77Å; A294-D297 PolarHBondContact O-N 2.99Å; A294-E298 WeakPolarHBondContact O-CG 3.48Å; A294-E298 PolarHBondContact O-N 3.19Å |
| 295 | L | 97.2 | Very high | 97.3 | Very high | 104 Ų | 104 | 93.5 Ų | 93.5 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 175.6 | -71.6 | 173.9 | 0 | 0 | 0 | 112.7 | E291 Q293 M299 | E291-L295 WeakPolarHBondContact O-CG 3.29Å; E291-L295 PolarHBondContact O-N 2.96Å; Q293-L295 PolarHBondContact O-N 2.93Å; L295-M299 WeakPolarHBondContact O-CB 3.48Å; L295-M299 VanDerWaalsContact O-CG 3.31Å; L295-M299 WeakPolarHBondContact O-CG 3.44Å; L295-M299 PolarHBondContact O-N 2.91Å |
| 296 | K | 98 | Very high | 97.3 | Very high | 117 Ų | 117 | 90.9 Ų | 90.9 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 175.1 | -175.5 | -178.2 | 173.9 | -170.7 | 0 | 111.1 | A292 Q293 A294 E298 M299 D300 | A292-K296 WeakPolarHBondContact O-CB 3.34Å; A292-K296 PolarHBondContact O-N 3.17Å; A292-K296 VanDerWaalsContact O-N 3.16Å; Q293-K296 WeakPolarHBondContact O-CB 3.49Å; Q293-K296 PolarHBondContact O-N 3.16Å; Q293-K296 VanDerWaalsContact O-N 3.09Å; A294-K296 VanDerWaalsContact C-N 3.27Å; A294-K296 PolarHBondContact O-N 2.77Å; K296-E298 VanDerWaalsContact C-N 3.34Å; K296-M299 WeakPolarHBondContact O-CB 3.38Å; K296-M299 PolarHBondContact O-N 3.16Å; K296-D300 PolarHBondContact O-N 3.33Å |
| 297 | D | 97.6 | Very high | 97.3 | Very high | 78 Ų | 78 | 91.9 Ų | 91.9 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.8 | -59.9 | -22 | 0 | 0 | 0 | 110.5 | Q293 A294 M299 D300 I301 | Q293-D297 PolarHBondContact NE2-OD1 2.76Å; Q293-D297 VanDerWaalsContact O-CG 3.26Å; Q293-D297 PolarHBondContact O-N 3.4Å; A294-D297 PolarHBondContact O-N 2.99Å; D297-M299 PolarHBondContact O-N 2.72Å; D297-D300 PolarHBondContact O-N 3.38Å; D297-I301 WeakPolarHBondContact O-CG1 3.45Å; D297-I301 PolarHBondContact O-N 3.12Å |
| 298 | E | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 97.5 Ų | 97.5 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 172.3 | -73 | -179.6 | -177.5 | 0 | 0 | 112.7 | A294 K296 D300 I301 L302 | A294-E298 WeakPolarHBondContact O-CG 3.48Å; A294-E298 PolarHBondContact O-N 3.19Å; K296-E298 VanDerWaalsContact C-N 3.34Å; E298-D300 VanDerWaalsContact C-N 3.32Å; E298-D300 PolarHBondContact O-N 3Å; E298-I301 PolarHBondContact O-N 2.97Å; E298-L302 WeakPolarHBondContact O-CB 3.34Å; E298-L302 WeakPolarHBondContact O-CG 3.31Å; E298-L302 PolarHBondContact O-N 3.3Å |
| 299 | M | 97.4 | Very high | 97.3 | Very high | 100 Ų | 100 | 96.2 Ų | 96.2 | 49% | 0.493 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 174.9 | -79 | -70.7 | 99.4 | 0 | 0 | 112.5 | L295 K296 D297 L302 R303 | L295-M299 WeakPolarHBondContact O-CB 3.48Å; L295-M299 VanDerWaalsContact O-CG 3.31Å; L295-M299 WeakPolarHBondContact O-CG 3.44Å; L295-M299 PolarHBondContact O-N 2.91Å; K296-M299 WeakPolarHBondContact O-CB 3.38Å; K296-M299 PolarHBondContact O-N 3.16Å; D297-M299 PolarHBondContact O-N 2.72Å; M299-L302 HydrophobicContact CE-CD1 3.46Å; M299-L302 VanDerWaalsContact CE-CD1 3.46Å; M299-L302 PolarHBondContact O-N 3.26Å; M299-R303 WeakPolarHBondContact O-CG 3.45Å; M299-R303 PolarHBondContact O-N 3.43Å |
| 300 | D | 97.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 97.1 Ų | 97.1 | 29% | 0.289 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.7 | -38 | 178.6 | -72.6 | -22.4 | 0 | 0 | 0 | 111.4 | K296 D297 E298 L302 R303 H304 | K296-D300 PolarHBondContact O-N 3.33Å; D297-D300 PolarHBondContact O-N 3.38Å; E298-D300 VanDerWaalsContact C-N 3.32Å; E298-D300 PolarHBondContact O-N 3Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-L302 PolarHBondContact O-N 3Å; D300-R303 WeakPolarHBondContact O-CB 3.5Å; D300-R303 PolarHBondContact O-N 3.28Å; D300-R303 IonicContact OD1-CZ 3.06Å; D300-R303 IonicContact OD1-NH1 3.99Å; D300-R303 PolarHBondContact OD1-NH1 2.91Å; D300-H304 PolarHBondContact O-CD2 2.9Å; D300-H304 PolarHBondContact O-N 3.47Å |
| 301 | I | 97.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 97 Ų | 97 | 54% | 0.544 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 169.5 | -67 | 165.8 | 0 | 0 | 0 | 110.4 | D297 E298 R303 H304 S305 | D297-I301 WeakPolarHBondContact O-CG1 3.45Å; D297-I301 PolarHBondContact O-N 3.12Å; E298-I301 PolarHBondContact O-N 2.97Å; I301-R303 VanDerWaalsContact C-N 3.33Å; I301-R303 PolarHBondContact O-N 3.39Å; I301-H304 PolarHBondContact O-N 3.39Å; I301-S305 PolarHBondContact O-N 3.34Å |
| 302 | L | 96.5 | Very high | 97.4 | Very high | 93 Ų | 93 | 95.9 Ų | 95.9 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 179.3 | -74.2 | 171.9 | 0 | 0 | 0 | 112 | E298 M299 D300 S305 S306 | E298-L302 WeakPolarHBondContact O-CB 3.34Å; E298-L302 WeakPolarHBondContact O-CG 3.31Å; E298-L302 PolarHBondContact O-N 3.3Å; M299-L302 HydrophobicContact CE-CD1 3.46Å; M299-L302 VanDerWaalsContact CE-CD1 3.46Å; M299-L302 PolarHBondContact O-N 3.26Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-L302 PolarHBondContact O-N 3Å; L302-S305 WeakPolarHBondContact CA-OG 3.4Å; L302-S305 PolarHBondContact O-N 2.97Å; L302-S305 PolarHBondContact O-OG 2.93Å; L302-S306 WeakPolarHBondContact O-CB 3.29Å; L302-S306 PolarHBondContact O-N 3.03Å |
| 303 | R | 98.1 | Very high | 97.4 | Very high | 161 Ų | 161 | 98.6 Ų | 98.6 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 172.2 | -77.9 | 171.5 | 176.8 | 162.6 | -2.1 | 112.1 | M299 D300 I301 S305 S306 D307 | M299-R303 WeakPolarHBondContact O-CG 3.45Å; M299-R303 PolarHBondContact O-N 3.43Å; D300-R303 WeakPolarHBondContact O-CB 3.5Å; D300-R303 PolarHBondContact O-N 3.28Å; D300-R303 IonicContact OD1-CZ 3.06Å; D300-R303 IonicContact OD1-NH1 3.99Å; D300-R303 PolarHBondContact OD1-NH1 2.91Å; I301-R303 VanDerWaalsContact C-N 3.33Å; I301-R303 PolarHBondContact O-N 3.39Å; R303-S305 VanDerWaalsContact C-N 3.29Å; R303-S305 PolarHBondContact O-N 2.87Å; R303-S306 WeakPolarHBondContact O-CB 2.96Å; R303-S306 PolarHBondContact O-N 3.31Å; R303-S306 VanDerWaalsContact O-N 3.16Å; R303-D307 PolarHBondContact O-N 3.48Å |
| 304 | H | 96.7 | Very high | 97.4 | Very high | 139 Ų | 139 | 97.2 Ų | 97.2 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 175.7 | -77.2 | -50.8 | 0 | 0 | 0 | 112.4 | D300 I301 S306 D307 R308 | D300-H304 PolarHBondContact O-CD2 2.9Å; D300-H304 PolarHBondContact O-N 3.47Å; I301-H304 PolarHBondContact O-N 3.39Å; H304-S306 VanDerWaalsContact C-N 3.35Å; H304-D307 PolarHBondContact O-N 3.23Å; H304-R308 PolarHBondContact O-N 2.87Å |
| 305 | S | 95.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 98.9 Ų | 98.9 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.1 | 81.8 | 0 | 0 | 0 | 0 | 112 | I301 L302 R303 R308 V309 | I301-S305 PolarHBondContact O-N 3.34Å; L302-S305 WeakPolarHBondContact CA-OG 3.4Å; L302-S305 PolarHBondContact O-N 2.97Å; L302-S305 PolarHBondContact O-OG 2.93Å; R303-S305 VanDerWaalsContact C-N 3.29Å; R303-S305 PolarHBondContact O-N 2.87Å; S305-R308 WeakPolarHBondContact O-CB 3.37Å; S305-R308 PolarHBondContact O-N 2.96Å; S305-V309 WeakPolarHBondContact O-CG2 3.39Å; S305-V309 PolarHBondContact O-N 3.06Å |
| 306 | S | 97.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 97.3 Ų | 97.3 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | L302 R303 H304 R308 V309 N310 | L302-S306 WeakPolarHBondContact O-CB 3.29Å; L302-S306 PolarHBondContact O-N 3.03Å; R303-S306 WeakPolarHBondContact O-CB 2.96Å; R303-S306 PolarHBondContact O-N 3.31Å; R303-S306 VanDerWaalsContact O-N 3.16Å; H304-S306 VanDerWaalsContact C-N 3.35Å; S306-R308 VanDerWaalsContact C-N 3.3Å; S306-R308 PolarHBondContact O-N 3.07Å; S306-V309 WeakPolarHBondContact O-CB 3.46Å; S306-V309 PolarHBondContact O-N 3.05Å; S306-V309 VanDerWaalsContact O-N 3.14Å; S306-N310 PolarHBondContact O-N 3.36Å; S306-N310 PolarHBondContact O-ND2 2.83Å |
| 307 | D | 97.7 | Very high | 97.5 | Very high | 84 Ų | 84 | 95.5 Ų | 95.5 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 175.5 | -73.6 | -21.7 | 0 | 0 | 0 | 111.9 | R303 H304 N310 Q311 | R303-D307 PolarHBondContact O-N 3.48Å; H304-D307 PolarHBondContact O-N 3.23Å; D307-N310 PolarHBondContact O-N 3.01Å; D307-Q311 WeakPolarHBondContact O-CG 3.46Å; D307-Q311 PolarHBondContact O-N 3.35Å |
| 308 | R | 98 | Very high | 97.6 | Very high | 175 Ų | 175 | 94.2 Ų | 94.2 | 66% | 0.66 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 173.6 | -168.9 | 172.6 | 81.6 | 165.5 | 3.5 | 111.6 | H304 S305 S306 Q311 L312 | H304-R308 PolarHBondContact O-N 2.87Å; S305-R308 WeakPolarHBondContact O-CB 3.37Å; S305-R308 PolarHBondContact O-N 2.96Å; S306-R308 VanDerWaalsContact C-N 3.3Å; S306-R308 PolarHBondContact O-N 3.07Å; R308-Q311 PolarHBondContact O-N 2.89Å; R308-L312 WeakPolarHBondContact O-CG 3.32Å; R308-L312 PolarHBondContact O-N 3.14Å |
| 309 | V | 97.9 | Very high | 97.6 | Very high | 71 Ų | 71 | 94.9 Ų | 94.9 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | S305 S306 Q311 L312 E313 | S305-V309 WeakPolarHBondContact O-CG2 3.39Å; S305-V309 PolarHBondContact O-N 3.06Å; S306-V309 WeakPolarHBondContact O-CB 3.46Å; S306-V309 PolarHBondContact O-N 3.05Å; S306-V309 VanDerWaalsContact O-N 3.14Å; V309-Q311 VanDerWaalsContact C-N 3.29Å; V309-Q311 PolarHBondContact O-N 3.28Å; V309-L312 WeakPolarHBondContact O-CB 3.49Å; V309-L312 PolarHBondContact O-N 3.39Å; V309-E313 HydrophobicContact CG1-CG 4.26Å; V309-E313 WeakPolarHBondContact O-CG 3.34Å; V309-E313 PolarHBondContact O-N 3.41Å |
| 310 | N | 97.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 43% | 0.428 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.8 | -39.4 | 177.1 | -69 | -33.4 | 0 | 0 | 0 | 112.5 | S306 D307 E313 A314 | S306-N310 PolarHBondContact O-N 3.36Å; S306-N310 PolarHBondContact O-ND2 2.83Å; D307-N310 PolarHBondContact O-N 3.01Å; N310-E313 PolarHBondContact O-N 2.91Å; N310-A314 WeakPolarHBondContact O-CB 3.4Å; N310-A314 PolarHBondContact O-N 2.95Å |
| 311 | Q | 98.1 | Very high | 97.6 | Very high | 137 Ų | 137 | 98.7 Ų | 98.7 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 175.2 | -70.6 | 171.4 | 27.5 | 0 | 0 | 112.1 | D307 R308 V309 A314 L315 | D307-Q311 WeakPolarHBondContact O-CG 3.46Å; D307-Q311 PolarHBondContact O-N 3.35Å; R308-Q311 PolarHBondContact O-N 2.89Å; V309-Q311 VanDerWaalsContact C-N 3.29Å; V309-Q311 PolarHBondContact O-N 3.28Å; Q311-A314 PolarHBondContact O-N 3.04Å; Q311-L315 PolarHBondContact O-N 3.4Å |
| 312 | L | 97.1 | Very high | 97.6 | Very high | 96 Ų | 96 | 99.2 Ų | 99.2 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 175.9 | -69.9 | 173.1 | 0 | 0 | 0 | 111.5 | R308 V309 L315 V316 | R308-L312 WeakPolarHBondContact O-CG 3.32Å; R308-L312 PolarHBondContact O-N 3.14Å; V309-L312 WeakPolarHBondContact O-CB 3.49Å; V309-L312 PolarHBondContact O-N 3.39Å; L312-L315 WeakPolarHBondContact O-CB 3.42Å; L312-L315 PolarHBondContact O-N 2.97Å; L312-V316 WeakPolarHBondContact O-CG2 3.31Å; L312-V316 PolarHBondContact O-N 3.28Å |
| 313 | E | 97.5 | Very high | 97.6 | Very high | 117 Ų | 117 | 100.5 Ų | 100.5 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 174.4 | -73 | -177.8 | 170.8 | 0 | 0 | 111.7 | V309 N310 L315 V316 E317 | V309-E313 HydrophobicContact CG1-CG 4.26Å; V309-E313 WeakPolarHBondContact O-CG 3.34Å; V309-E313 PolarHBondContact O-N 3.41Å; N310-E313 PolarHBondContact O-N 2.91Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.12Å; E313-V316 PolarHBondContact O-N 3.14Å; E313-E317 PolarHBondContact O-N 3.46Å |
| 314 | A | 97.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 98.6 Ų | 98.6 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N310 Q311 E317 T318 | N310-A314 WeakPolarHBondContact O-CB 3.4Å; N310-A314 PolarHBondContact O-N 2.95Å; Q311-A314 PolarHBondContact O-N 3.04Å; A314-E317 PolarHBondContact O-N 3.32Å; A314-T318 WeakPolarHBondContact O-CG2 3.46Å; A314-T318 PolarHBondContact O-N 3.14Å |
| 315 | L | 98 | Very high | 97.6 | Very high | 83 Ų | 83 | 96.8 Ų | 96.8 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.5 | -166.4 | 91.6 | 0 | 0 | 0 | 111.3 | Q311 L312 E313 E317 T318 Y319 | Q311-L315 PolarHBondContact O-N 3.4Å; L312-L315 WeakPolarHBondContact O-CB 3.42Å; L312-L315 PolarHBondContact O-N 2.97Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.12Å; L315-E317 VanDerWaalsContact C-N 3.28Å; L315-E317 PolarHBondContact O-N 2.93Å; L315-T318 PolarHBondContact O-N 2.96Å; L315-T318 VanDerWaalsContact O-N 3.15Å; L315-T318 PolarHBondContact O-OG1 3.49Å; L315-Y319 HydrophobicContact CD1-CE2 4.33Å; L315-Y319 HydrophobicContact CD2-CD2 4.2Å; L315-Y319 HydrophobicContact CD2-CE2 3.52Å; L315-Y319 HydrophobicContact CG-CD2 4.02Å; L315-Y319 HydrophobicContact CG-CE2 3.58Å; L315-Y319 VanDerWaalsContact O-CD2 3.31Å; L315-Y319 WeakPolarHBondContact O-CD2 3.44Å; L315-Y319 PolarHBondContact O-N 3.44Å |
| 316 | V | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 175.3 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | L312 E313 T318 Y319 K320 | L312-V316 WeakPolarHBondContact O-CG2 3.31Å; L312-V316 PolarHBondContact O-N 3.28Å; E313-V316 PolarHBondContact O-N 3.14Å; V316-T318 VanDerWaalsContact C-N 3.33Å; V316-T318 PolarHBondContact O-N 2.87Å; V316-Y319 PolarHBondContact O-N 3.15Å; V316-Y319 VanDerWaalsContact O-N 3.14Å; V316-K320 WeakPolarHBondContact O-CG 3.49Å; V316-K320 PolarHBondContact O-N 3.29Å |
| 317 | E | 98.1 | Very high | 97.7 | Very high | 79 Ų | 79 | 96.7 Ų | 96.7 | 37% | 0.369 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 178.3 | -162.1 | 57.7 | -151.1 | 0 | 0 | 112.3 | E313 A314 L315 K320 R321 | E313-E317 PolarHBondContact O-N 3.46Å; A314-E317 PolarHBondContact O-N 3.32Å; L315-E317 VanDerWaalsContact C-N 3.28Å; L315-E317 PolarHBondContact O-N 2.93Å; E317-K320 PolarHBondContact O-N 2.91Å; E317-K320 WeakPolarHBondContact OE2-CD 3.5Å; E317-K320 IonicContact OE2-NZ 2.97Å; E317-K320 PolarHBondContact OE2-NZ 2.99Å; E317-K320 VanDerWaalsContact OE2-NZ 3.12Å; E317-R321 PolarHBondContact O-N 3.4Å; E317-R321 VanDerWaalsContact O-N 3.14Å |
| 318 | T | 98.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 95.9 Ų | 95.9 | 31% | 0.307 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 171.5 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | A314 L315 V316 R321 K322 | A314-T318 WeakPolarHBondContact O-CG2 3.46Å; A314-T318 PolarHBondContact O-N 3.14Å; L315-T318 PolarHBondContact O-N 2.96Å; L315-T318 VanDerWaalsContact O-N 3.15Å; L315-T318 PolarHBondContact O-OG1 3.49Å; V316-T318 VanDerWaalsContact C-N 3.33Å; V316-T318 PolarHBondContact O-N 2.87Å; T318-R321 PolarHBondContact O-N 2.98Å; T318-K322 WeakPolarHBondContact O-CG 3.41Å; T318-K322 PolarHBondContact O-N 3.07Å |
| 319 | Y | 97.7 | Very high | 97.7 | Very high | 125 Ų | 125 | 92.1 Ų | 92.1 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 176.1 | -75.3 | -53.2 | 0 | 0 | 0 | 112.6 | L315 V316 K322 L323 | L315-Y319 HydrophobicContact CD1-CE2 4.33Å; L315-Y319 HydrophobicContact CD2-CD2 4.2Å; L315-Y319 HydrophobicContact CD2-CE2 3.52Å; L315-Y319 HydrophobicContact CG-CD2 4.02Å; L315-Y319 HydrophobicContact CG-CE2 3.58Å; L315-Y319 VanDerWaalsContact O-CD2 3.31Å; L315-Y319 WeakPolarHBondContact O-CD2 3.44Å; L315-Y319 PolarHBondContact O-N 3.44Å; V316-Y319 PolarHBondContact O-N 3.15Å; V316-Y319 VanDerWaalsContact O-N 3.14Å; Y319-K322 HydrophobicContact CD1-CD 4.18Å; Y319-K322 PolarHBondContact O-N 2.99Å; Y319-L323 WeakPolarHBondContact O-CG 3.32Å; Y319-L323 PolarHBondContact O-N 3.38Å |
| 320 | K | 98.1 | Very high | 97.7 | Very high | 100 Ų | 100 | 97.2 Ų | 97.2 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 171.3 | -73.6 | 178.5 | -170.6 | 163.2 | 0 | 111.6 | V316 E317 K322 L323 E324 | V316-K320 WeakPolarHBondContact O-CG 3.49Å; V316-K320 PolarHBondContact O-N 3.29Å; E317-K320 PolarHBondContact O-N 2.91Å; E317-K320 WeakPolarHBondContact OE2-CD 3.5Å; E317-K320 IonicContact OE2-NZ 2.97Å; E317-K320 PolarHBondContact OE2-NZ 2.99Å; E317-K320 VanDerWaalsContact OE2-NZ 3.12Å; K320-K322 VanDerWaalsContact C-N 3.34Å; K320-K322 PolarHBondContact O-N 3.26Å; K320-L323 WeakPolarHBondContact O-CA 3.47Å; K320-L323 WeakPolarHBondContact O-CB 3.28Å; K320-L323 PolarHBondContact O-N 2.67Å; K320-E324 WeakPolarHBondContact O-CG 3.37Å; K320-E324 PolarHBondContact O-N 3.43Å |
| 321 | R | 98.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 100.1 Ų | 100.1 | 50% | 0.502 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 174.3 | -83 | -177.8 | -108 | 130.9 | -2.8 | 112.5 | E317 T318 L323 E324 D325 | E317-R321 PolarHBondContact O-N 3.4Å; E317-R321 VanDerWaalsContact O-N 3.14Å; T318-R321 PolarHBondContact O-N 2.98Å; R321-L323 VanDerWaalsContact C-N 3.27Å; R321-L323 PolarHBondContact O-N 3.19Å; R321-E324 WeakPolarHBondContact O-CB 3.46Å; R321-E324 PolarHBondContact O-N 3.07Å; R321-E324 VanDerWaalsContact O-N 3.16Å; R321-D325 PolarHBondContact O-N 2.97Å |
| 322 | K | 97.7 | Very high | 97.7 | Very high | 117 Ų | 117 | 99 Ų | 99 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 174.8 | -72.8 | 176.2 | 179.6 | 176.1 | 0 | 112.9 | T318 Y319 K320 L326 | T318-K322 WeakPolarHBondContact O-CG 3.41Å; T318-K322 PolarHBondContact O-N 3.07Å; Y319-K322 HydrophobicContact CD1-CD 4.18Å; Y319-K322 PolarHBondContact O-N 2.99Å; K320-K322 VanDerWaalsContact C-N 3.34Å; K320-K322 PolarHBondContact O-N 3.26Å; K322-L326 VanDerWaalsContact O-CG 3.31Å; K322-L326 WeakPolarHBondContact O-CG 3.33Å; K322-L326 PolarHBondContact O-N 2.86Å |
| 323 | L | 96.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 97.5 Ų | 97.5 | 63% | 0.628 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.6 | -38.5 | 175.4 | -79.1 | 165.5 | 0 | 0 | 0 | 112.1 | Y319 K320 R321 L326 G327 | Y319-L323 WeakPolarHBondContact O-CG 3.32Å; Y319-L323 PolarHBondContact O-N 3.38Å; K320-L323 WeakPolarHBondContact O-CA 3.47Å; K320-L323 WeakPolarHBondContact O-CB 3.28Å; K320-L323 PolarHBondContact O-N 2.67Å; R321-L323 VanDerWaalsContact C-N 3.27Å; R321-L323 PolarHBondContact O-N 3.19Å; L323-L326 PolarHBondContact O-N 3.34Å; L323-G327 PolarHBondContact O-N 3.47Å |
| 324 | E | 97.5 | Very high | 97.8 | Very high | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.6 | -47.5 | 172.5 | -69 | 170.2 | 177.2 | 0 | 0 | 110.9 | K320 R321 L326 G327 D328 | K320-E324 WeakPolarHBondContact O-CG 3.37Å; K320-E324 PolarHBondContact O-N 3.43Å; R321-E324 WeakPolarHBondContact O-CB 3.46Å; R321-E324 PolarHBondContact O-N 3.07Å; R321-E324 VanDerWaalsContact O-N 3.16Å; E324-L326 VanDerWaalsContact C-N 3.32Å; E324-L326 PolarHBondContact O-N 3.4Å; E324-G327 CarbonylContact O-C 3.6Å; E324-G327 VanDerWaalsContact O-CA 3.32Å; E324-G327 WeakPolarHBondContact O-CA 3.42Å; E324-G327 PolarHBondContact O-N 3.32Å; E324-D328 PolarHBondContact O-N 2.79Å |
| 325 | D | 97.6 | Very high | 97.8 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 175.5 | -67.5 | -25.5 | 0 | 0 | 0 | 112.1 | R321 G327 D328 L329 | R321-D325 PolarHBondContact O-N 2.97Å; D325-G327 VanDerWaalsContact C-N 3.31Å; D325-G327 PolarHBondContact O-N 3.35Å; D325-D328 PolarHBondContact O-N 2.85Å; D325-L329 WeakPolarHBondContact O-CB 3.22Å; D325-L329 PolarHBondContact O-N 2.85Å |
| 326 | L | 97.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 102.4 Ų | 102.4 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 173.5 | -75.6 | 173.1 | 0 | 0 | 0 | 111.9 | K322 L323 E324 R330 | K322-L326 VanDerWaalsContact O-CG 3.31Å; K322-L326 WeakPolarHBondContact O-CG 3.33Å; K322-L326 PolarHBondContact O-N 2.86Å; L323-L326 PolarHBondContact O-N 3.34Å; E324-L326 VanDerWaalsContact C-N 3.32Å; E324-L326 PolarHBondContact O-N 3.4Å; L326-R330 WeakPolarHBondContact O-CB 3.39Å; L326-R330 VanDerWaalsContact O-CG 3.25Å; L326-R330 WeakPolarHBondContact O-CG 3.15Å; L326-R330 PolarHBondContact O-N 2.96Å |
| 327 | G | 97.5 | Very high | 97.8 | Very high | 23 Ų | 23 | 104.3 Ų | 104.3 | 24% | 0.237 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L323 E324 D325 R330 R331 | L323-G327 PolarHBondContact O-N 3.47Å; E324-G327 CarbonylContact O-C 3.6Å; E324-G327 VanDerWaalsContact O-CA 3.32Å; E324-G327 WeakPolarHBondContact O-CA 3.42Å; E324-G327 PolarHBondContact O-N 3.32Å; D325-G327 VanDerWaalsContact C-N 3.31Å; D325-G327 PolarHBondContact O-N 3.35Å; G327-R330 PolarHBondContact O-N 2.83Å; G327-R331 PolarHBondContact O-N 3.34Å |
| 328 | D | 98 | Very high | 97.8 | Very high | 67 Ų | 67 | 106 Ų | 106 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.3 | -73.4 | 1.7 | 0 | 0 | 0 | 111.6 | E324 D325 R330 R331 Q332 | E324-D328 PolarHBondContact O-N 2.79Å; D325-D328 PolarHBondContact O-N 2.85Å; D328-R330 VanDerWaalsContact C-N 3.33Å; D328-R330 PolarHBondContact O-N 2.76Å; D328-R331 WeakPolarHBondContact O-CB 3.14Å; D328-R331 PolarHBondContact O-N 2.74Å; D328-R331 VanDerWaalsContact O-N 3.12Å; D328-R331 IonicContact OD1-CZ 2.66Å; D328-R331 IonicContact OD1-NH1 3.77Å; D328-R331 PolarHBondContact OD1-NH1 3.16Å; D328-R331 IonicContact OD1-NH2 3.29Å; D328-R331 PolarHBondContact OD1-NH2 3.38Å; D328-Q332 WeakPolarHBondContact O-CG 3.09Å; D328-Q332 PolarHBondContact O-N 2.75Å |
| 329 | L | 97.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 110.9 Ų | 110.9 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.6 | -169.9 | 66 | 0 | 0 | 0 | 111.4 | D325 R331 Q332 V333 | D325-L329 WeakPolarHBondContact O-CB 3.22Å; D325-L329 PolarHBondContact O-N 2.85Å; L329-R331 VanDerWaalsContact C-N 3.32Å; L329-R331 PolarHBondContact O-N 3.46Å; L329-Q332 PolarHBondContact O-N 2.76Å; L329-V333 WeakPolarHBondContact O-CG2 3.18Å; L329-V333 PolarHBondContact O-N 2.81Å |
| 330 | R | 98 | Very high | 97.7 | Very high | 177 Ų | 177 | 110.1 Ų | 110.1 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 173.8 | -75.8 | 173.6 | -173.9 | -172.3 | 3.6 | 112.2 | L326 G327 D328 V333 R334 | L326-R330 WeakPolarHBondContact O-CB 3.39Å; L326-R330 VanDerWaalsContact O-CG 3.25Å; L326-R330 WeakPolarHBondContact O-CG 3.15Å; L326-R330 PolarHBondContact O-N 2.96Å; G327-R330 PolarHBondContact O-N 2.83Å; D328-R330 VanDerWaalsContact C-N 3.33Å; D328-R330 PolarHBondContact O-N 2.76Å; R330-V333 PolarHBondContact O-N 3.24Å; R330-R334 WeakPolarHBondContact O-CG 3.1Å; R330-R334 PolarHBondContact O-N 3.13Å |
| 331 | R | 98.2 | Very high | 97.7 | Very high | 141 Ų | 141 | 108.4 Ų | 108.4 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 174.9 | -76.4 | -174.4 | -107.6 | 98.8 | 5.2 | 111.6 | G327 D328 L329 R334 L335 | G327-R331 PolarHBondContact O-N 3.34Å; D328-R331 WeakPolarHBondContact O-CB 3.14Å; D328-R331 PolarHBondContact O-N 2.74Å; D328-R331 VanDerWaalsContact O-N 3.12Å; D328-R331 IonicContact OD1-CZ 2.66Å; D328-R331 IonicContact OD1-NH1 3.77Å; D328-R331 PolarHBondContact OD1-NH1 3.16Å; D328-R331 IonicContact OD1-NH2 3.29Å; D328-R331 PolarHBondContact OD1-NH2 3.38Å; L329-R331 VanDerWaalsContact C-N 3.32Å; L329-R331 PolarHBondContact O-N 3.46Å; R331-R334 PolarHBondContact O-N 3.49Å; R331-L335 WeakPolarHBondContact O-CG 3.16Å; R331-L335 PolarHBondContact O-N 2.79Å |
| 332 | Q | 97.9 | Very high | 97.7 | Very high | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.3 | -70 | 178.9 | 18 | 0 | 0 | 112.2 | D328 L329 L335 L336 | D328-Q332 WeakPolarHBondContact O-CG 3.09Å; D328-Q332 PolarHBondContact O-N 2.75Å; L329-Q332 PolarHBondContact O-N 2.76Å; Q332-L335 PolarHBondContact O-N 3.42Å; Q332-L336 WeakPolarHBondContact O-CG 3.17Å; Q332-L336 PolarHBondContact O-N 3.23Å |
| 333 | V | 97.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 108.3 Ų | 108.3 | 39% | 0.394 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L329 R330 L335 L336 E337 | L329-V333 WeakPolarHBondContact O-CG2 3.18Å; L329-V333 PolarHBondContact O-N 2.81Å; R330-V333 PolarHBondContact O-N 3.24Å; V333-L335 PolarHBondContact O-N 3.48Å; V333-L336 PolarHBondContact O-N 3.33Å; V333-L336 VanDerWaalsContact O-N 3.13Å; V333-E337 HydrophobicContact CG1-CG 4.34Å; V333-E337 WeakPolarHBondContact O-CG 3.45Å; V333-E337 PolarHBondContact O-N 3.22Å |
| 334 | R | 97.9 | Very high | 97.8 | Very high | 167 Ų | 167 | 107.8 Ų | 107.8 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 176.2 | -71.9 | -178.4 | -174.6 | -175.7 | 1.3 | 112.8 | R330 R331 L336 E337 E338 | R330-R334 WeakPolarHBondContact O-CG 3.1Å; R330-R334 PolarHBondContact O-N 3.13Å; R331-R334 PolarHBondContact O-N 3.49Å; R334-L336 VanDerWaalsContact C-N 3.3Å; R334-L336 PolarHBondContact O-N 2.79Å; R334-E337 PolarHBondContact O-N 2.83Å; R334-E338 WeakPolarHBondContact O-CB 3.26Å; R334-E338 WeakPolarHBondContact O-CG 3.33Å; R334-E338 PolarHBondContact O-N 3.12Å |
| 335 | L | 98.1 | Very high | 97.8 | Very high | 86 Ų | 86 | 107.5 Ų | 107.5 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 176.3 | -72.6 | 171.2 | 0 | 0 | 0 | 112.2 | R331 Q332 V333 R339 | R331-L335 WeakPolarHBondContact O-CG 3.16Å; R331-L335 PolarHBondContact O-N 2.79Å; Q332-L335 PolarHBondContact O-N 3.42Å; V333-L335 PolarHBondContact O-N 3.48Å; L335-R339 WeakPolarHBondContact O-CB 3.4Å; L335-R339 VanDerWaalsContact O-CG 3.23Å; L335-R339 WeakPolarHBondContact O-CG 3.32Å; L335-R339 PolarHBondContact O-N 3.07Å |
| 336 | L | 97.7 | Very high | 97.8 | Very high | 108 Ų | 108 | 108.3 Ų | 108.3 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.7 | -40 | 174.9 | -72.6 | 173.5 | 0 | 0 | 0 | 111.8 | Q332 V333 R334 R339 N340 | Q332-L336 WeakPolarHBondContact O-CG 3.17Å; Q332-L336 PolarHBondContact O-N 3.23Å; V333-L336 PolarHBondContact O-N 3.33Å; V333-L336 VanDerWaalsContact O-N 3.13Å; R334-L336 VanDerWaalsContact C-N 3.3Å; R334-L336 PolarHBondContact O-N 2.79Å; L336-R339 PolarHBondContact O-N 3.42Å; L336-N340 WeakPolarHBondContact O-CB 3.31Å; L336-N340 PolarHBondContact O-N 3.42Å |
| 337 | E | 97.4 | Very high | 97.8 | Very high | 113 Ų | 113 | 107.7 Ų | 107.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 173.6 | -71.8 | 170.3 | 165.8 | 0 | 0 | 110.8 | V333 R334 R339 N340 T341 | V333-E337 HydrophobicContact CG1-CG 4.34Å; V333-E337 WeakPolarHBondContact O-CG 3.45Å; V333-E337 PolarHBondContact O-N 3.22Å; R334-E337 PolarHBondContact O-N 2.83Å; E337-R339 PolarHBondContact O-N 3.39Å; E337-N340 WeakPolarHBondContact O-CB 3.29Å; E337-N340 PolarHBondContact O-N 3.06Å; E337-N340 VanDerWaalsContact O-N 3.11Å; E337-T341 WeakPolarHBondContact O-CG2 3.32Å; E337-T341 PolarHBondContact O-N 3.43Å |
| 338 | E | 98.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 109.5 Ų | 109.5 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 175.4 | -74.2 | 169.8 | -170 | 0 | 0 | 111.3 | R334 N340 T341 V342 | R334-E338 WeakPolarHBondContact O-CB 3.26Å; R334-E338 WeakPolarHBondContact O-CG 3.33Å; R334-E338 PolarHBondContact O-N 3.12Å; E338-N340 VanDerWaalsContact C-N 3.3Å; E338-N340 PolarHBondContact O-N 3.44Å; E338-T341 PolarHBondContact O-N 3.32Å; E338-T341 PolarHBondContact O-OG1 2.95Å; E338-V342 WeakPolarHBondContact O-CG2 3.2Å; E338-V342 PolarHBondContact O-N 3.49Å |
| 339 | R | 98 | Very high | 97.7 | Very high | 153 Ų | 153 | 110.4 Ų | 110.4 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 175.4 | -74 | 172 | -178.2 | -178.5 | 1.6 | 112.4 | L335 L336 E337 V342 Y343 | L335-R339 WeakPolarHBondContact O-CB 3.4Å; L335-R339 VanDerWaalsContact O-CG 3.23Å; L335-R339 WeakPolarHBondContact O-CG 3.32Å; L335-R339 PolarHBondContact O-N 3.07Å; L336-R339 PolarHBondContact O-N 3.42Å; E337-R339 PolarHBondContact O-N 3.39Å; R339-V342 PolarHBondContact O-N 2.94Å; R339-Y343 WeakPolarHBondContact O-CD2 3.46Å; R339-Y343 PolarHBondContact O-N 3.36Å |
| 340 | N | 96.9 | Very high | 97.7 | Very high | 108 Ų | 108 | 109.8 Ų | 109.8 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 176.9 | -164 | -52 | 0 | 0 | 0 | 111.1 | L336 E337 E338 V342 Y343 M344 | L336-N340 WeakPolarHBondContact O-CB 3.31Å; L336-N340 PolarHBondContact O-N 3.42Å; E337-N340 WeakPolarHBondContact O-CB 3.29Å; E337-N340 PolarHBondContact O-N 3.06Å; E337-N340 VanDerWaalsContact O-N 3.11Å; E338-N340 VanDerWaalsContact C-N 3.3Å; E338-N340 PolarHBondContact O-N 3.44Å; N340-V342 VanDerWaalsContact C-N 3.32Å; N340-V342 PolarHBondContact O-N 2.98Å; N340-Y343 PolarHBondContact O-N 2.87Å; N340-M344 WeakPolarHBondContact O-CB 3.32Å; N340-M344 PolarHBondContact O-N 3.02Å |
| 341 | T | 97.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 105.7 Ų | 105.7 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.3 | 64 | 0 | 0 | 0 | 0 | 112.4 | E337 E338 M344 Q345 | E337-T341 WeakPolarHBondContact O-CG2 3.32Å; E337-T341 PolarHBondContact O-N 3.43Å; E338-T341 PolarHBondContact O-N 3.32Å; E338-T341 PolarHBondContact O-OG1 2.95Å; T341-M344 PolarHBondContact O-N 2.93Å; T341-Q345 WeakPolarHBondContact O-CG 3.25Å; T341-Q345 PolarHBondContact O-N 2.7Å |
| 342 | V | 98.3 | Very high | 97.6 | Very high | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111 | E338 R339 N340 M344 Q345 R346 | E338-V342 WeakPolarHBondContact O-CG2 3.2Å; E338-V342 PolarHBondContact O-N 3.49Å; R339-V342 PolarHBondContact O-N 2.94Å; N340-V342 VanDerWaalsContact C-N 3.32Å; N340-V342 PolarHBondContact O-N 2.98Å; V342-M344 VanDerWaalsContact C-N 3.33Å; V342-M344 PolarHBondContact O-N 3.16Å; V342-Q345 PolarHBondContact O-N 3.42Å; V342-R346 WeakPolarHBondContact O-CB 3.46Å; V342-R346 PolarHBondContact O-N 2.8Å |
| 343 | Y | 97.9 | Very high | 97.5 | Very high | 165 Ų | 165 | 102.2 Ų | 102.2 | 65% | 0.647 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 175.4 | -72.4 | -45.8 | 0 | 0 | 0 | 112.9 | R339 N340 R346 T347 | R339-Y343 WeakPolarHBondContact O-CD2 3.46Å; R339-Y343 PolarHBondContact O-N 3.36Å; N340-Y343 PolarHBondContact O-N 2.87Å; Y343-R346 PolarHBondContact O-N 3.39Å; Y343-T347 WeakPolarHBondContact O-CB 3.46Å; Y343-T347 PolarHBondContact O-N 3.2Å; Y343-T347 PolarHBondContact O-OG1 2.86Å |
| 344 | M | 97.9 | Very high | 97.5 | Very high | 110 Ų | 110 | 104.1 Ų | 104.1 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 174.2 | -176.3 | -176.3 | 66.5 | 0 | 0 | 111 | N340 T341 V342 R346 T347 C348 | N340-M344 WeakPolarHBondContact O-CB 3.32Å; N340-M344 PolarHBondContact O-N 3.02Å; T341-M344 PolarHBondContact O-N 2.93Å; V342-M344 VanDerWaalsContact C-N 3.33Å; V342-M344 PolarHBondContact O-N 3.16Å; M344-R346 VanDerWaalsContact C-N 3.34Å; M344-R346 PolarHBondContact O-N 3.32Å; M344-T347 WeakPolarHBondContact O-CB 3.4Å; M344-T347 PolarHBondContact O-N 3.06Å; M344-T347 VanDerWaalsContact O-N 3.14Å; M344-C348 PolarHBondContact O-N 2.63Å; M344-C348 PolarHBondContact O-SG 3.43Å; M344-C348 VanDerWaalsContact O-SG 3.41Å |
| 345 | Q | 97.6 | Very high | 97.4 | Very high | 115 Ų | 115 | 102.9 Ų | 102.9 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 175.6 | -74 | 172.1 | -0.7 | 0 | 0 | 111.4 | T341 V342 T347 C348 E349 | T341-Q345 WeakPolarHBondContact O-CG 3.25Å; T341-Q345 PolarHBondContact O-N 2.7Å; V342-Q345 PolarHBondContact O-N 3.42Å; Q345-T347 VanDerWaalsContact C-N 3.27Å; Q345-T347 PolarHBondContact O-N 3.42Å; Q345-C348 WeakPolarHBondContact O-CB 3.45Å; Q345-C348 PolarHBondContact O-N 2.66Å; Q345-C348 VanDerWaalsContact O-N 3.16Å; Q345-E349 WeakPolarHBondContact O-CG 3.32Å; Q345-E349 PolarHBondContact O-N 2.94Å |
| 346 | R | 97.8 | Very high | 97.4 | Very high | 119 Ų | 119 | 105.4 Ų | 105.4 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 177.9 | -174.8 | 57.8 | -180 | 167.7 | 5.7 | 112.4 | V342 Y343 M344 E349 L350 | V342-R346 WeakPolarHBondContact O-CB 3.46Å; V342-R346 PolarHBondContact O-N 2.8Å; Y343-R346 PolarHBondContact O-N 3.39Å; M344-R346 VanDerWaalsContact C-N 3.34Å; M344-R346 PolarHBondContact O-N 3.32Å; R346-E349 WeakPolarHBondContact CD-OE2 3.44Å; R346-E349 IonicContact CZ-OE2 2.91Å; R346-E349 IonicContact NH1-OE2 2.67Å; R346-E349 PolarHBondContact NH1-OE2 2.95Å; R346-E349 PolarHBondContact O-N 3.31Å; R346-L350 HydrophobicContact CG-CD1 4.27Å; R346-L350 VanDerWaalsContact O-CG 3.27Å; R346-L350 WeakPolarHBondContact O-CG 3.31Å; R346-L350 PolarHBondContact O-N 2.81Å |
| 347 | T | 96.6 | Very high | 97.4 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | Y343 M344 Q345 E349 L350 E351 | Y343-T347 WeakPolarHBondContact O-CB 3.46Å; Y343-T347 PolarHBondContact O-N 3.2Å; Y343-T347 PolarHBondContact O-OG1 2.86Å; M344-T347 WeakPolarHBondContact O-CB 3.4Å; M344-T347 PolarHBondContact O-N 3.06Å; M344-T347 VanDerWaalsContact O-N 3.14Å; Q345-T347 VanDerWaalsContact C-N 3.27Å; Q345-T347 PolarHBondContact O-N 3.42Å; T347-E349 PolarHBondContact O-N 3.37Å; T347-L350 PolarHBondContact O-N 2.94Å; T347-E351 WeakPolarHBondContact O-CG 3.42Å; T347-E351 PolarHBondContact O-N 2.82Å |
| 348 | C | 96.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 100.6 Ų | 100.6 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.9 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | M344 Q345 L350 E351 E352 | M344-C348 PolarHBondContact O-N 2.63Å; M344-C348 PolarHBondContact O-SG 3.43Å; M344-C348 VanDerWaalsContact O-SG 3.41Å; Q345-C348 WeakPolarHBondContact O-CB 3.45Å; Q345-C348 PolarHBondContact O-N 2.66Å; Q345-C348 VanDerWaalsContact O-N 3.16Å; C348-L350 PolarHBondContact O-N 2.91Å; C348-E351 PolarHBondContact O-N 2.87Å; C348-E352 WeakPolarHBondContact O-CG 3.32Å; C348-E352 PolarHBondContact O-N 3.39Å |
| 349 | E | 97.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 97.9 Ų | 97.9 | 41% | 0.407 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 174.3 | -72 | 172.9 | -179.3 | 0 | 0 | 111.6 | Q345 R346 T347 E351 E352 E353 | Q345-E349 WeakPolarHBondContact O-CG 3.32Å; Q345-E349 PolarHBondContact O-N 2.94Å; R346-E349 WeakPolarHBondContact CD-OE2 3.44Å; R346-E349 IonicContact CZ-OE2 2.91Å; R346-E349 IonicContact NH1-OE2 2.67Å; R346-E349 PolarHBondContact NH1-OE2 2.95Å; R346-E349 PolarHBondContact O-N 3.31Å; T347-E349 PolarHBondContact O-N 3.37Å; E349-E351 VanDerWaalsContact C-N 3.35Å; E349-E351 PolarHBondContact O-N 3.37Å; E349-E352 WeakPolarHBondContact O-CB 3.48Å; E349-E352 PolarHBondContact O-N 2.85Å; E349-E353 WeakPolarHBondContact O-CG 3.2Å; E349-E353 PolarHBondContact O-N 3.15Å |
| 350 | L | 96.9 | Very high | 97.2 | Very high | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 179 | -70 | 168.2 | 0 | 0 | 0 | 112.1 | R346 T347 C348 E352 E353 L354 | R346-L350 HydrophobicContact CG-CD1 4.27Å; R346-L350 VanDerWaalsContact O-CG 3.27Å; R346-L350 WeakPolarHBondContact O-CG 3.31Å; R346-L350 PolarHBondContact O-N 2.81Å; T347-L350 PolarHBondContact O-N 2.94Å; C348-L350 PolarHBondContact O-N 2.91Å; L350-E352 VanDerWaalsContact C-N 3.35Å; L350-E353 PolarHBondContact O-N 2.83Å; L350-L354 WeakPolarHBondContact O-CB 3.23Å; L350-L354 PolarHBondContact O-N 2.77Å |
| 351 | E | 96.8 | Very high | 97.2 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 173.2 | -74.2 | -179.9 | -177.7 | 0 | 0 | 112.1 | T347 C348 E349 L354 R355 | T347-E351 WeakPolarHBondContact O-CG 3.42Å; T347-E351 PolarHBondContact O-N 2.82Å; C348-E351 PolarHBondContact O-N 2.87Å; E349-E351 VanDerWaalsContact C-N 3.35Å; E349-E351 PolarHBondContact O-N 3.37Å; E351-L354 PolarHBondContact O-N 3.18Å; E351-R355 WeakPolarHBondContact O-CG 3.33Å; E351-R355 PolarHBondContact O-N 2.79Å; E351-R355 IonicContact OE2-NH2 3.86Å; E351-R355 PolarHBondContact OE2-NH2 2.81Å |
| 352 | E | 97.3 | Very high | 97.1 | Very high | 86 Ų | 86 | 95.5 Ų | 95.5 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 174.1 | -73.7 | -177.8 | -175.8 | 0 | 0 | 112.3 | C348 E349 L350 L354 R355 R356 | C348-E352 WeakPolarHBondContact O-CG 3.32Å; C348-E352 PolarHBondContact O-N 3.39Å; E349-E352 WeakPolarHBondContact O-CB 3.48Å; E349-E352 PolarHBondContact O-N 2.85Å; L350-E352 VanDerWaalsContact C-N 3.35Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 3.49Å; E352-R355 VanDerWaalsContact CG-NH1 3.27Å; E352-R355 PolarHBondContact O-N 2.9Å; E352-R356 WeakPolarHBondContact O-CG 3.26Å; E352-R356 PolarHBondContact O-N 2.81Å; E352-R356 IonicContact OE2-CZ 2.71Å; E352-R356 IonicContact OE2-NH2 3.79Å; E352-R356 PolarHBondContact OE2-NH2 2.84Å |
| 353 | E | 96.5 | Very high | 97.1 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.3 | -42.6 | 173.1 | -73.4 | 177.7 | -177.7 | 0 | 0 | 111.1 | E349 L350 R356 A357 | E349-E353 WeakPolarHBondContact O-CG 3.2Å; E349-E353 PolarHBondContact O-N 3.15Å; L350-E353 PolarHBondContact O-N 2.83Å; E353-R356 PolarHBondContact O-N 2.72Å; E353-A357 WeakPolarHBondContact O-CB 3.26Å; E353-A357 PolarHBondContact O-N 3.06Å |
| 354 | L | 96.6 | Very high | 97 | Very high | 105 Ų | 105 | 93.2 Ų | 93.2 | 55% | 0.55 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.4 | -176.3 | 65.7 | 0 | 0 | 0 | 112.1 | L350 E351 E352 A357 N358 | L350-L354 WeakPolarHBondContact O-CB 3.23Å; L350-L354 PolarHBondContact O-N 2.77Å; E351-L354 PolarHBondContact O-N 3.18Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 3.49Å; L354-A357 PolarHBondContact O-N 3.04Å; L354-N358 WeakPolarHBondContact O-CB 3.46Å; L354-N358 VanDerWaalsContact O-CG 3.27Å; L354-N358 PolarHBondContact O-N 2.76Å; L354-N358 PolarHBondContact O-ND2 3.29Å; L354-N358 VanDerWaalsContact O-ND2 3.16Å |
| 355 | R | 97.6 | Very high | 96.9 | Very high | 140 Ų | 140 | 90.8 Ų | 90.8 | 53% | 0.528 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 174.3 | -74.7 | -174.7 | -143.1 | 95.9 | 8.3 | 111.3 | E351 E352 N358 A359 | E351-R355 WeakPolarHBondContact O-CG 3.33Å; E351-R355 PolarHBondContact O-N 2.79Å; E351-R355 IonicContact OE2-NH2 3.86Å; E351-R355 PolarHBondContact OE2-NH2 2.81Å; E352-R355 VanDerWaalsContact CG-NH1 3.27Å; E352-R355 PolarHBondContact O-N 2.9Å; R355-N358 PolarHBondContact O-N 3.18Å; R355-A359 PolarHBondContact O-N 2.76Å |
| 356 | R | 97.9 | Very high | 96.9 | Very high | 139 Ų | 139 | 88.2 Ų | 88.2 | 53% | 0.525 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 176.2 | -67 | 177.8 | -160.4 | 105.1 | 5.7 | 111.1 | E352 E353 N358 A359 V360 | E352-R356 WeakPolarHBondContact O-CG 3.26Å; E352-R356 PolarHBondContact O-N 2.81Å; E352-R356 IonicContact OE2-CZ 2.71Å; E352-R356 IonicContact OE2-NH2 3.79Å; E352-R356 PolarHBondContact OE2-NH2 2.84Å; E353-R356 PolarHBondContact O-N 2.72Å; R356-N358 VanDerWaalsContact C-N 3.3Å; R356-N358 PolarHBondContact O-N 2.77Å; R356-A359 WeakPolarHBondContact O-CB 3.23Å; R356-A359 PolarHBondContact O-N 2.86Å; R356-A359 VanDerWaalsContact O-N 3.16Å; R356-V360 WeakPolarHBondContact O-CG2 3.07Å; R356-V360 PolarHBondContact O-N 3.39Å |
| 357 | A | 96.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 89.4 Ų | 89.4 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | E353 L354 V360 R361 | E353-A357 WeakPolarHBondContact O-CB 3.26Å; E353-A357 PolarHBondContact O-N 3.06Å; L354-A357 PolarHBondContact O-N 3.04Å; A357-V360 PolarHBondContact O-N 3.34Å; A357-R361 WeakPolarHBondContact O-CB 3.18Å; A357-R361 PolarHBondContact O-N 2.84Å |
| 358 | N | 96.4 | Very high | 96.9 | Very high | 65 Ų | 65 | 91.8 Ų | 91.8 | 35% | 0.348 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.4 | -78.9 | -35.3 | 0 | 0 | 0 | 112.9 | L354 R355 R356 R361 G362 | L354-N358 WeakPolarHBondContact O-CB 3.46Å; L354-N358 VanDerWaalsContact O-CG 3.27Å; L354-N358 PolarHBondContact O-N 2.76Å; L354-N358 PolarHBondContact O-ND2 3.29Å; L354-N358 VanDerWaalsContact O-ND2 3.16Å; R355-N358 PolarHBondContact O-N 3.18Å; R356-N358 VanDerWaalsContact C-N 3.3Å; R356-N358 PolarHBondContact O-N 2.77Å; N358-R361 PolarHBondContact O-N 2.95Å; N358-R361 PolarHBondContact OD1-NH2 3.34Å; N358-G362 PolarHBondContact O-N 2.91Å |
| 359 | A | 97.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 95.5 Ų | 95.5 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R355 R356 R361 G362 Q363 | R355-A359 PolarHBondContact O-N 2.76Å; R356-A359 WeakPolarHBondContact O-CB 3.23Å; R356-A359 PolarHBondContact O-N 2.86Å; R356-A359 VanDerWaalsContact O-N 3.16Å; A359-R361 VanDerWaalsContact C-N 3.35Å; A359-R361 PolarHBondContact O-N 2.91Å; A359-G362 PolarHBondContact O-N 3.2Å; A359-Q363 PolarHBondContact O-N 2.91Å |
| 360 | V | 96.5 | Very high | 96.8 | Very high | 91 Ų | 91 | 96.2 Ų | 96.2 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | R356 A357 G362 Q363 L364 | R356-V360 WeakPolarHBondContact O-CG2 3.07Å; R356-V360 PolarHBondContact O-N 3.39Å; A357-V360 PolarHBondContact O-N 3.34Å; V360-G362 VanDerWaalsContact C-N 3.33Å; V360-G362 PolarHBondContact O-N 2.95Å; V360-Q363 WeakPolarHBondContact O-CB 3.33Å; V360-Q363 PolarHBondContact O-N 3.43Å; V360-L364 PolarHBondContact O-N 3.25Å |
| 361 | R | 96.8 | Very high | 96.8 | Very high | 148 Ų | 148 | 95.1 Ų | 95.1 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 174.2 | -178.7 | 173.9 | 60.3 | 147.7 | -1.1 | 111.8 | A357 N358 A359 Q363 L364 D365 | A357-R361 WeakPolarHBondContact O-CB 3.18Å; A357-R361 PolarHBondContact O-N 2.84Å; N358-R361 PolarHBondContact O-N 2.95Å; N358-R361 PolarHBondContact OD1-NH2 3.34Å; A359-R361 VanDerWaalsContact C-N 3.35Å; A359-R361 PolarHBondContact O-N 2.91Å; R361-Q363 VanDerWaalsContact C-N 3.34Å; R361-Q363 PolarHBondContact O-N 2.88Å; R361-L364 WeakPolarHBondContact O-CB 3.37Å; R361-L364 PolarHBondContact O-N 2.86Å; R361-D365 PolarHBondContact O-N 3.3Å |
| 362 | G | 96.5 | Very high | 96.8 | Very high | 36 Ų | 36 | 96.8 Ų | 96.8 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N358 A359 V360 D365 T366 | N358-G362 PolarHBondContact O-N 2.91Å; A359-G362 PolarHBondContact O-N 3.2Å; V360-G362 VanDerWaalsContact C-N 3.33Å; V360-G362 PolarHBondContact O-N 2.95Å; G362-D365 PolarHBondContact O-N 3.49Å; G362-T366 WeakPolarHBondContact O-CG2 3.3Å; G362-T366 PolarHBondContact O-N 3.11Å |
| 363 | Q | 97 | Very high | 96.8 | Very high | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.9 | -68.3 | 176.5 | -4.2 | 0 | 0 | 111.8 | A359 V360 R361 D365 T366 Y367 | A359-Q363 PolarHBondContact O-N 2.91Å; V360-Q363 WeakPolarHBondContact O-CB 3.33Å; V360-Q363 PolarHBondContact O-N 3.43Å; R361-Q363 VanDerWaalsContact C-N 3.34Å; R361-Q363 PolarHBondContact O-N 2.88Å; Q363-D365 VanDerWaalsContact C-N 3.3Å; Q363-D365 PolarHBondContact O-N 2.67Å; Q363-T366 WeakPolarHBondContact CA-OG1 3.36Å; Q363-T366 PolarHBondContact O-N 3.31Å; Q363-T366 VanDerWaalsContact O-N 3.11Å; Q363-T366 PolarHBondContact O-OG1 2.95Å; Q363-Y367 HydrophobicContact CB-CE2 4.43Å; Q363-Y367 VanDerWaalsContact O-CD2 3.25Å; Q363-Y367 WeakPolarHBondContact O-CD2 3.38Å; Q363-Y367 PolarHBondContact O-N 2.86Å |
| 364 | L | 96.1 | Very high | 96.8 | Very high | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 176.3 | -178.4 | 65.5 | 0 | 0 | 0 | 111.8 | V360 R361 T366 Y367 K368 | V360-L364 PolarHBondContact O-N 3.25Å; R361-L364 WeakPolarHBondContact O-CB 3.37Å; R361-L364 PolarHBondContact O-N 2.86Å; L364-T366 VanDerWaalsContact C-N 3.32Å; L364-T366 PolarHBondContact O-N 3.01Å; L364-Y367 PolarHBondContact O-N 2.88Å; L364-K368 HydrophobicContact CG-CD 4.4Å; L364-K368 WeakPolarHBondContact O-CB 3.38Å; L364-K368 WeakPolarHBondContact O-CG 3.35Å; L364-K368 PolarHBondContact O-N 2.9Å |
| 365 | D | 96.5 | Very high | 96.7 | Very high | 60 Ų | 60 | 98.4 Ų | 98.4 | 32% | 0.321 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 177 | -70.8 | -21.2 | 0 | 0 | 0 | 111.8 | R361 G362 Q363 K368 R369 | R361-D365 PolarHBondContact O-N 3.3Å; G362-D365 PolarHBondContact O-N 3.49Å; Q363-D365 VanDerWaalsContact C-N 3.3Å; Q363-D365 PolarHBondContact O-N 2.67Å; D365-K368 PolarHBondContact O-N 3.41Å; D365-R369 WeakPolarHBondContact O-CG 3.23Å; D365-R369 PolarHBondContact O-N 3.41Å; D365-R369 PolarHBondContact O-NH1 2.84Å |
| 366 | T | 96.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 94.7 Ų | 94.7 | 37% | 0.368 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 171.6 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | G362 Q363 L364 K368 R369 Q370 | G362-T366 WeakPolarHBondContact O-CG2 3.3Å; G362-T366 PolarHBondContact O-N 3.11Å; Q363-T366 WeakPolarHBondContact CA-OG1 3.36Å; Q363-T366 PolarHBondContact O-N 3.31Å; Q363-T366 VanDerWaalsContact O-N 3.11Å; Q363-T366 PolarHBondContact O-OG1 2.95Å; L364-T366 VanDerWaalsContact C-N 3.32Å; L364-T366 PolarHBondContact O-N 3.01Å; T366-K368 PolarHBondContact O-N 3.35Å; T366-R369 PolarHBondContact O-N 3.13Å; T366-Q370 WeakPolarHBondContact O-CG 3.3Å; T366-Q370 PolarHBondContact O-N 3.41Å |
| 367 | Y | 96.7 | Very high | 96.7 | Very high | 145 Ų | 145 | 95.7 Ų | 95.7 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.3 | -37.7 | 176.4 | -69 | -50.7 | 0 | 0 | 0 | 112.4 | Q363 L364 R369 Q370 A371 | Q363-Y367 HydrophobicContact CB-CE2 4.43Å; Q363-Y367 VanDerWaalsContact O-CD2 3.25Å; Q363-Y367 WeakPolarHBondContact O-CD2 3.38Å; Q363-Y367 PolarHBondContact O-N 2.86Å; L364-Y367 PolarHBondContact O-N 2.88Å; Y367-R369 PolarHBondContact O-N 2.89Å; Y367-Q370 PolarHBondContact O-N 3.4Å; Y367-A371 WeakPolarHBondContact O-CB 3.35Å; Y367-A371 PolarHBondContact O-N 3.22Å |
| 368 | K | 97.6 | Very high | 96.6 | Very high | 123 Ų | 123 | 99.4 Ų | 99.4 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 173.1 | -77.2 | 176.4 | 179.1 | 174.3 | 0 | 112.1 | L364 D365 T366 A371 H372 | L364-K368 HydrophobicContact CG-CD 4.4Å; L364-K368 WeakPolarHBondContact O-CB 3.38Å; L364-K368 WeakPolarHBondContact O-CG 3.35Å; L364-K368 PolarHBondContact O-N 2.9Å; D365-K368 PolarHBondContact O-N 3.41Å; T366-K368 PolarHBondContact O-N 3.35Å; K368-A371 PolarHBondContact O-N 2.83Å; K368-H372 WeakPolarHBondContact O-CB 3.36Å; K368-H372 PolarHBondContact O-N 3.19Å |
| 369 | R | 97.1 | Very high | 96.6 | Very high | 138 Ų | 138 | 99.1 Ų | 99.1 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 174.9 | -71.2 | -175.4 | -145 | 95 | 3.6 | 111.4 | D365 T366 Y367 A371 H372 E373 | D365-R369 WeakPolarHBondContact O-CG 3.23Å; D365-R369 PolarHBondContact O-N 3.41Å; D365-R369 PolarHBondContact O-NH1 2.84Å; T366-R369 PolarHBondContact O-N 3.13Å; Y367-R369 PolarHBondContact O-N 2.89Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-A371 PolarHBondContact O-N 3.41Å; R369-H372 PolarHBondContact O-N 3.2Å; R369-H372 VanDerWaalsContact O-N 3.16Å; R369-E373 WeakPolarHBondContact O-CG 3.26Å; R369-E373 PolarHBondContact O-N 2.91Å |
| 370 | Q | 96.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.4 | -72.3 | 176.9 | -9.5 | 0 | 0 | 112.1 | T366 Y367 H372 E373 L374 | T366-Q370 WeakPolarHBondContact O-CG 3.3Å; T366-Q370 PolarHBondContact O-N 3.41Å; Y367-Q370 PolarHBondContact O-N 3.4Å; Q370-H372 VanDerWaalsContact C-N 3.34Å; Q370-H372 PolarHBondContact O-N 3.11Å; Q370-E373 PolarHBondContact O-N 2.87Å; Q370-L374 WeakPolarHBondContact O-CB 3.18Å; Q370-L374 WeakPolarHBondContact O-CG 3.46Å; Q370-L374 PolarHBondContact O-N 3.03Å |
| 371 | A | 95.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 99.3 Ų | 99.3 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y367 K368 R369 L374 H375 | Y367-A371 WeakPolarHBondContact O-CB 3.35Å; Y367-A371 PolarHBondContact O-N 3.22Å; K368-A371 PolarHBondContact O-N 2.83Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-A371 PolarHBondContact O-N 3.41Å; A371-L374 PolarHBondContact O-N 3.16Å; A371-H375 VanDerWaalsContact O-CB 3.28Å; A371-H375 WeakPolarHBondContact O-CB 3.43Å; A371-H375 PolarHBondContact O-N 3.36Å |
| 372 | H | 96.8 | Very high | 96.4 | Very high | 126 Ų | 126 | 94 Ų | 94 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.7 | -41.8 | 176.1 | -169.2 | 71.8 | 0 | 0 | 0 | 112.5 | K368 R369 Q370 H375 T376 | K368-H372 WeakPolarHBondContact O-CB 3.36Å; K368-H372 PolarHBondContact O-N 3.19Å; R369-H372 PolarHBondContact O-N 3.2Å; R369-H372 VanDerWaalsContact O-N 3.16Å; Q370-H372 VanDerWaalsContact C-N 3.34Å; Q370-H372 PolarHBondContact O-N 3.11Å; H372-H375 PolarHBondContact O-N 3.43Å; H372-T376 WeakPolarHBondContact O-CG2 3.26Å; H372-T376 PolarHBondContact O-N 3.08Å; H372-T376 PolarHBondContact O-OG1 2.92Å |
| 373 | E | 96.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 174.2 | -74.2 | 173.9 | -157.2 | 0 | 0 | 112.1 | R369 Q370 T376 R377 | R369-E373 WeakPolarHBondContact O-CG 3.26Å; R369-E373 PolarHBondContact O-N 2.91Å; Q370-E373 PolarHBondContact O-N 2.87Å; E373-T376 WeakPolarHBondContact CA-OG1 3.46Å; E373-T376 PolarHBondContact O-OG1 3.07Å; E373-R377 WeakPolarHBondContact O-CB 3.48Å; E373-R377 VanDerWaalsContact O-CG 3.29Å; E373-R377 WeakPolarHBondContact O-CG 3.31Å; E373-R377 PolarHBondContact O-N 3.36Å |
| 374 | L | 96.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 97.4 Ų | 97.4 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 175 | -73.3 | 175.9 | 0 | 0 | 0 | 111.6 | Q370 A371 R377 H378 | Q370-L374 WeakPolarHBondContact O-CB 3.18Å; Q370-L374 WeakPolarHBondContact O-CG 3.46Å; Q370-L374 PolarHBondContact O-N 3.03Å; A371-L374 PolarHBondContact O-N 3.16Å; L374-R377 PolarHBondContact O-N 3.42Å; L374-H378 WeakPolarHBondContact O-CB 3.09Å; L374-H378 PolarHBondContact O-N 3.36Å |
| 375 | H | 96.3 | Very high | 96.4 | Very high | 115 Ų | 115 | 95.3 Ų | 95.3 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.7 | -174.7 | 70.2 | 0 | 0 | 0 | 111.7 | A371 H372 R377 H378 T379 | A371-H375 VanDerWaalsContact O-CB 3.28Å; A371-H375 WeakPolarHBondContact O-CB 3.43Å; A371-H375 PolarHBondContact O-N 3.36Å; H372-H375 PolarHBondContact O-N 3.43Å; H375-R377 PolarHBondContact O-N 3.32Å; H375-H378 PolarHBondContact O-N 3.28Å; H375-T379 WeakPolarHBondContact O-CG2 3.26Å; H375-T379 PolarHBondContact O-N 3.5Å; H375-T379 PolarHBondContact O-OG1 2.92Å |
| 376 | T | 97.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 98 Ų | 98 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 176.5 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | H372 E373 T379 A380 | H372-T376 WeakPolarHBondContact O-CG2 3.26Å; H372-T376 PolarHBondContact O-N 3.08Å; H372-T376 PolarHBondContact O-OG1 2.92Å; E373-T376 WeakPolarHBondContact CA-OG1 3.46Å; E373-T376 PolarHBondContact O-OG1 3.07Å; T376-T379 WeakPolarHBondContact CA-OG1 3.3Å; T376-T379 PolarHBondContact O-OG1 3.35Å; T376-A380 WeakPolarHBondContact O-CB 3.38Å; T376-A380 PolarHBondContact O-N 2.85Å |
| 377 | R | 96.9 | Very high | 96.4 | Very high | 160 Ų | 160 | 101.5 Ų | 101.5 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 171.2 | -73.4 | 176.5 | -171.4 | 177.1 | 6.6 | 111.8 | E373 L374 H375 A380 E381 | E373-R377 WeakPolarHBondContact O-CB 3.48Å; E373-R377 VanDerWaalsContact O-CG 3.29Å; E373-R377 WeakPolarHBondContact O-CG 3.31Å; E373-R377 PolarHBondContact O-N 3.36Å; L374-R377 PolarHBondContact O-N 3.42Å; H375-R377 PolarHBondContact O-N 3.32Å; R377-A380 PolarHBondContact O-N 2.89Å; R377-E381 WeakPolarHBondContact O-CG 3.34Å; R377-E381 PolarHBondContact O-N 3.11Å |
| 378 | H | 95.5 | Very high | 96.3 | Very high | 133 Ų | 133 | 102.9 Ų | 102.9 | 62% | 0.616 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.6 | -45.8 | 178.1 | 178.9 | -80 | 0 | 0 | 0 | 111.6 | L374 H375 A380 E381 A382 | L374-H378 WeakPolarHBondContact O-CB 3.09Å; L374-H378 PolarHBondContact O-N 3.36Å; H375-H378 PolarHBondContact O-N 3.28Å; H378-A380 VanDerWaalsContact C-N 3.33Å; H378-A380 PolarHBondContact O-N 3.44Å; H378-E381 PolarHBondContact O-N 3.3Å; H378-A382 WeakPolarHBondContact O-CB 3.3Å; H378-A382 PolarHBondContact O-N 3.11Å |
| 379 | T | 96 | Very high | 96.2 | Very high | 58 Ų | 58 | 103.5 Ų | 103.5 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | H375 T376 A382 M383 | H375-T379 WeakPolarHBondContact O-CG2 3.26Å; H375-T379 PolarHBondContact O-N 3.5Å; H375-T379 PolarHBondContact O-OG1 2.92Å; T376-T379 WeakPolarHBondContact CA-OG1 3.3Å; T376-T379 PolarHBondContact O-OG1 3.35Å; T379-A382 PolarHBondContact O-N 2.86Å; T379-M383 WeakPolarHBondContact O-CB 3.4Å; T379-M383 VanDerWaalsContact O-CG 3.3Å; T379-M383 WeakPolarHBondContact O-CG 3.42Å; T379-M383 PolarHBondContact O-N 3.38Å |
| 380 | A | 96.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T376 R377 H378 M383 K384 | T376-A380 WeakPolarHBondContact O-CB 3.38Å; T376-A380 PolarHBondContact O-N 2.85Å; R377-A380 PolarHBondContact O-N 2.89Å; H378-A380 VanDerWaalsContact C-N 3.33Å; H378-A380 PolarHBondContact O-N 3.44Å; A380-M383 PolarHBondContact O-N 3.47Å; A380-K384 WeakPolarHBondContact O-CG 3.38Å; A380-K384 PolarHBondContact O-N 3.3Å |
| 381 | E | 94.5 | Very high | 96.2 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 174.9 | -70 | -54.4 | 139.9 | 0 | 0 | 112.2 | R377 H378 M383 K384 A385 | R377-E381 WeakPolarHBondContact O-CG 3.34Å; R377-E381 PolarHBondContact O-N 3.11Å; H378-E381 PolarHBondContact O-N 3.3Å; E381-M383 PolarHBondContact O-N 2.88Å; E381-K384 WeakPolarHBondContact O-CB 3.35Å; E381-K384 PolarHBondContact O-N 2.94Å; E381-K384 IonicContact OE1-NZ 2.63Å; E381-K384 PolarHBondContact OE1-NZ 2.94Å; E381-K384 IonicContact OE2-NZ 3.08Å; E381-A385 WeakPolarHBondContact O-CB 3.4Å; E381-A385 PolarHBondContact O-N 2.79Å |
| 382 | A | 95.7 | Very high | 96.2 | Very high | 38 Ų | 38 | 108.1 Ų | 108.1 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H378 T379 K384 A385 E386 | H378-A382 WeakPolarHBondContact O-CB 3.3Å; H378-A382 PolarHBondContact O-N 3.11Å; T379-A382 PolarHBondContact O-N 2.86Å; A382-K384 VanDerWaalsContact C-N 3.31Å; A382-K384 PolarHBondContact O-N 2.93Å; A382-A385 WeakPolarHBondContact O-CB 3.47Å; A382-A385 PolarHBondContact O-N 3.16Å; A382-A385 VanDerWaalsContact O-N 3.14Å; A382-E386 WeakPolarHBondContact O-CG 3.34Å; A382-E386 PolarHBondContact O-N 2.9Å |
| 383 | M | 96.6 | Very high | 96.2 | Very high | 119 Ų | 119 | 108.4 Ų | 108.4 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -36.8 | 174.7 | -76.6 | -106.3 | 177.4 | 0 | 0 | 112.7 | T379 A380 E381 K387 | T379-M383 WeakPolarHBondContact O-CB 3.4Å; T379-M383 VanDerWaalsContact O-CG 3.3Å; T379-M383 WeakPolarHBondContact O-CG 3.42Å; T379-M383 PolarHBondContact O-N 3.38Å; A380-M383 PolarHBondContact O-N 3.47Å; E381-M383 PolarHBondContact O-N 2.88Å; M383-K387 VanDerWaalsContact O-CG 3.31Å; M383-K387 WeakPolarHBondContact O-CG 3.44Å; M383-K387 PolarHBondContact O-N 3.31Å; M383-K387 VanDerWaalsContact O-N 3.13Å |
| 384 | K | 96.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 107 Ų | 107 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 173.5 | -71.7 | 172.7 | -171.1 | 171.9 | 0 | 111.4 | A380 E381 A382 E386 K387 W388 | A380-K384 WeakPolarHBondContact O-CG 3.38Å; A380-K384 PolarHBondContact O-N 3.3Å; E381-K384 WeakPolarHBondContact O-CB 3.35Å; E381-K384 PolarHBondContact O-N 2.94Å; E381-K384 IonicContact OE1-NZ 2.63Å; E381-K384 PolarHBondContact OE1-NZ 2.94Å; E381-K384 IonicContact OE2-NZ 3.08Å; A382-K384 VanDerWaalsContact C-N 3.31Å; A382-K384 PolarHBondContact O-N 2.93Å; K384-E386 VanDerWaalsContact C-N 3.34Å; K384-K387 WeakPolarHBondContact O-CB 3.49Å; K384-K387 PolarHBondContact O-N 2.95Å; K384-W388 PolarHBondContact O-N 2.97Å |
| 385 | A | 94.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 107 Ų | 107 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E381 A382 K387 W388 Q389 | E381-A385 WeakPolarHBondContact O-CB 3.4Å; E381-A385 PolarHBondContact O-N 2.79Å; A382-A385 WeakPolarHBondContact O-CB 3.47Å; A382-A385 PolarHBondContact O-N 3.16Å; A382-A385 VanDerWaalsContact O-N 3.14Å; A385-K387 PolarHBondContact O-N 3.47Å; A385-W388 PolarHBondContact O-N 2.99Å; A385-Q389 WeakPolarHBondContact O-CB 3.38Å; A385-Q389 VanDerWaalsContact O-CG 3.29Å; A385-Q389 WeakPolarHBondContact O-CG 3.5Å; A385-Q389 PolarHBondContact O-N 2.8Å |
| 386 | E | 95.9 | Very high | 96.2 | Very high | 116 Ų | 116 | 107.2 Ų | 107.2 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 174.1 | -73.2 | 174.3 | -176 | 0 | 0 | 112.2 | A382 K384 Q389 F390 | A382-E386 WeakPolarHBondContact O-CG 3.34Å; A382-E386 PolarHBondContact O-N 2.9Å; K384-E386 VanDerWaalsContact C-N 3.34Å; E386-Q389 PolarHBondContact O-N 3.41Å; E386-F390 WeakPolarHBondContact O-CB 3.31Å; E386-F390 PolarHBondContact O-N 2.99Å |
| 387 | K | 97.1 | Very high | 96.1 | Very high | 134 Ų | 134 | 108.2 Ų | 108.2 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.6 | -48.3 | 174.4 | -73 | 173 | -176.2 | -176.8 | 0 | 111.8 | M383 K384 A385 Q389 F390 E391 | M383-K387 VanDerWaalsContact O-CG 3.31Å; M383-K387 WeakPolarHBondContact O-CG 3.44Å; M383-K387 PolarHBondContact O-N 3.31Å; M383-K387 VanDerWaalsContact O-N 3.13Å; K384-K387 WeakPolarHBondContact O-CB 3.49Å; K384-K387 PolarHBondContact O-N 2.95Å; A385-K387 PolarHBondContact O-N 3.47Å; K387-Q389 VanDerWaalsContact C-N 3.34Å; K387-Q389 PolarHBondContact O-N 2.95Å; K387-F390 PolarHBondContact O-N 3.04Å; K387-E391 WeakPolarHBondContact O-CG 3.49Å; K387-E391 PolarHBondContact O-N 3.28Å |
| 388 | W | 95.8 | Very high | 96.1 | Very high | 174 Ų | 174 | 106 Ų | 106 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -37 | 177.9 | -72.2 | 122.3 | 0 | 0 | 0 | 112.7 | K384 A385 E391 Y392 | K384-W388 PolarHBondContact O-N 2.97Å; A385-W388 PolarHBondContact O-N 2.99Å; W388-E391 VanDerWaalsContact CE3-OE2 3.22Å; W388-E391 WeakPolarHBondContact CZ3-OE2 3.19Å; W388-E391 PolarHBondContact O-N 3.34Å; W388-Y392 VanDerWaalsContact O-CB 3.24Å; W388-Y392 WeakPolarHBondContact O-CB 3.39Å; W388-Y392 PolarHBondContact O-N 3.45Å |
| 389 | Q | 96.1 | Very high | 96.2 | Very high | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 173.6 | -75.1 | 175.2 | 7.7 | 0 | 0 | 111.6 | A385 E386 K387 K393 | A385-Q389 WeakPolarHBondContact O-CB 3.38Å; A385-Q389 VanDerWaalsContact O-CG 3.29Å; A385-Q389 WeakPolarHBondContact O-CG 3.5Å; A385-Q389 PolarHBondContact O-N 2.8Å; E386-Q389 PolarHBondContact O-N 3.41Å; K387-Q389 VanDerWaalsContact C-N 3.34Å; K387-Q389 PolarHBondContact O-N 2.95Å; Q389-K393 WeakPolarHBondContact O-CB 3.46Å; Q389-K393 PolarHBondContact O-N 2.96Å |
| 390 | F | 96.4 | Very high | 96.2 | Very high | 148 Ų | 148 | 105.8 Ų | 105.8 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 175.6 | -179.9 | -95.2 | 0 | 0 | 0 | 111.9 | E386 K387 K393 N394 | E386-F390 WeakPolarHBondContact O-CB 3.31Å; E386-F390 PolarHBondContact O-N 2.99Å; K387-F390 PolarHBondContact O-N 3.04Å; F390-K393 PolarHBondContact O-N 3.14Å; F390-N394 WeakPolarHBondContact O-CB 3.48Å; F390-N394 PolarHBondContact O-N 3.42Å |
| 391 | E | 96.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 106.2 Ų | 106.2 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177 | -73.4 | 178.2 | -162.8 | 0 | 0 | 112.2 | K387 W388 N394 L395 | K387-E391 WeakPolarHBondContact O-CG 3.49Å; K387-E391 PolarHBondContact O-N 3.28Å; W388-E391 VanDerWaalsContact CE3-OE2 3.22Å; W388-E391 WeakPolarHBondContact CZ3-OE2 3.19Å; W388-E391 PolarHBondContact O-N 3.34Å; E391-N394 PolarHBondContact O-N 2.91Å; E391-L395 WeakPolarHBondContact O-CB 3.19Å; E391-L395 WeakPolarHBondContact O-CG 3.37Å; E391-L395 PolarHBondContact O-N 3.46Å |
| 392 | Y | 95.1 | Very high | 96.3 | Very high | 158 Ų | 158 | 106.3 Ų | 106.3 | 62% | 0.62 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -47.4 | 174.3 | 177.5 | -94.4 | 0 | 0 | 0 | 111.2 | W388 N394 L395 Y396 | W388-Y392 VanDerWaalsContact O-CB 3.24Å; W388-Y392 WeakPolarHBondContact O-CB 3.39Å; W388-Y392 PolarHBondContact O-N 3.45Å; Y392-N394 PolarHBondContact O-N 2.87Å; Y392-L395 PolarHBondContact O-N 3.19Å; Y392-Y396 VanDerWaalsContact O-CB 3.29Å; Y392-Y396 WeakPolarHBondContact O-CB 3.48Å; Y392-Y396 PolarHBondContact O-N 2.96Å |
| 393 | K | 97 | Very high | 96.3 | Very high | 133 Ų | 133 | 107 Ų | 107 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 177.6 | -174.1 | 174.1 | -179.7 | 175.8 | 0 | 111.7 | Q389 F390 L395 Y396 D397 | Q389-K393 WeakPolarHBondContact O-CB 3.46Å; Q389-K393 PolarHBondContact O-N 2.96Å; F390-K393 PolarHBondContact O-N 3.14Å; K393-L395 PolarHBondContact O-N 3.19Å; K393-Y396 WeakPolarHBondContact O-CB 3.25Å; K393-Y396 PolarHBondContact O-N 3.34Å; K393-D397 WeakPolarHBondContact O-CB 3.34Å; K393-D397 PolarHBondContact O-N 2.99Å |
| 394 | N | 96.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 107 Ų | 107 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 177.1 | -173.9 | 24.3 | 0 | 0 | 0 | 112.4 | F390 E391 Y392 K398 | F390-N394 WeakPolarHBondContact O-CB 3.48Å; F390-N394 PolarHBondContact O-N 3.42Å; E391-N394 PolarHBondContact O-N 2.91Å; Y392-N394 PolarHBondContact O-N 2.87Å; N394-K398 VanDerWaalsContact O-CG 3.26Å; N394-K398 WeakPolarHBondContact O-CG 3.41Å; N394-K398 PolarHBondContact O-N 3.34Å; N394-K398 VanDerWaalsContact O-N 3.08Å; N394-K398 WeakPolarHBondContact OD1-CE 3.42Å |
| 395 | L | 95.8 | Very high | 96.2 | Very high | 110 Ų | 110 | 107 Ų | 107 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 174.6 | -75.1 | 171.3 | 0 | 0 | 0 | 112 | E391 Y392 K393 K398 Y399 | E391-L395 WeakPolarHBondContact O-CB 3.19Å; E391-L395 WeakPolarHBondContact O-CG 3.37Å; E391-L395 PolarHBondContact O-N 3.46Å; Y392-L395 PolarHBondContact O-N 3.19Å; K393-L395 PolarHBondContact O-N 3.19Å; L395-K398 PolarHBondContact O-N 3.4Å; L395-Y399 WeakPolarHBondContact O-CB 3.24Å; L395-Y399 PolarHBondContact O-N 2.89Å |
| 396 | Y | 96.5 | Very high | 96.2 | Very high | 119 Ų | 119 | 110.8 Ų | 110.8 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.4 | -172.7 | -89.8 | 0 | 0 | 0 | 111.4 | Y392 K393 K398 Y399 D400 | Y392-Y396 VanDerWaalsContact O-CB 3.29Å; Y392-Y396 WeakPolarHBondContact O-CB 3.48Å; Y392-Y396 PolarHBondContact O-N 2.96Å; K393-Y396 WeakPolarHBondContact O-CB 3.25Å; K393-Y396 PolarHBondContact O-N 3.34Å; Y396-K398 VanDerWaalsContact C-N 3.3Å; Y396-K398 PolarHBondContact O-N 2.89Å; Y396-Y399 WeakPolarHBondContact O-CB 3.42Å; Y396-Y399 PolarHBondContact O-N 3.46Å; Y396-Y399 VanDerWaalsContact O-N 3.13Å; Y396-D400 WeakPolarHBondContact O-CB 3.41Å; Y396-D400 PolarHBondContact O-N 2.87Å |
| 397 | D | 96.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 111.3 Ų | 111.3 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 176.9 | -67.6 | -20.3 | 0 | 0 | 0 | 111.2 | K393 D400 A401 | K393-D397 WeakPolarHBondContact O-CB 3.34Å; K393-D397 PolarHBondContact O-N 2.99Å; D397-D400 PolarHBondContact O-N 3.39Å; D397-A401 WeakPolarHBondContact O-CB 3.34Å; D397-A401 PolarHBondContact O-N 3.36Å |
| 398 | K | 97.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 111 Ų | 111 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 172.6 | -73.2 | 169.9 | -175.7 | 175.2 | 0 | 112.4 | N394 L395 Y396 A401 L402 | N394-K398 VanDerWaalsContact O-CG 3.26Å; N394-K398 WeakPolarHBondContact O-CG 3.41Å; N394-K398 PolarHBondContact O-N 3.34Å; N394-K398 VanDerWaalsContact O-N 3.08Å; N394-K398 WeakPolarHBondContact OD1-CE 3.42Å; L395-K398 PolarHBondContact O-N 3.4Å; Y396-K398 VanDerWaalsContact C-N 3.3Å; Y396-K398 PolarHBondContact O-N 2.89Å; K398-A401 PolarHBondContact O-N 3.43Å; K398-L402 WeakPolarHBondContact O-CG 3.43Å; K398-L402 PolarHBondContact O-N 3.02Å |
| 399 | Y | 95.9 | Very high | 96.1 | Very high | 135 Ų | 135 | 107 Ų | 107 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.5 | 171 | -101.5 | 0 | 0 | 0 | 111.5 | L395 Y396 L402 L403 | L395-Y399 WeakPolarHBondContact O-CB 3.24Å; L395-Y399 PolarHBondContact O-N 2.89Å; Y396-Y399 WeakPolarHBondContact O-CB 3.42Å; Y396-Y399 PolarHBondContact O-N 3.46Å; Y396-Y399 VanDerWaalsContact O-N 3.13Å; Y399-L402 PolarHBondContact O-N 2.84Å; Y399-L403 HydrophobicContact CD1-CD1 3.96Å; Y399-L403 HydrophobicContact CD1-CG 4.4Å; Y399-L403 HydrophobicContact CE1-CD1 3.29Å; Y399-L403 HydrophobicContact CE1-CG 3.93Å; Y399-L403 HydrophobicContact CE2-CD1 4.42Å; Y399-L403 HydrophobicContact CE2-CD2 4.41Å; Y399-L403 HydrophobicContact CE2-CG 4.22Å; Y399-L403 PolarHBondContact O-N 3.32Å |
| 400 | D | 96.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 103.8 Ų | 103.8 | 28% | 0.278 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 176 | -172.9 | 64.9 | 0 | 0 | 0 | 112.1 | Y396 D397 L403 K404 | Y396-D400 WeakPolarHBondContact O-CB 3.41Å; Y396-D400 PolarHBondContact O-N 2.87Å; D397-D400 PolarHBondContact O-N 3.39Å; D400-L403 WeakPolarHBondContact O-CB 3.33Å; D400-L403 PolarHBondContact O-N 2.83Å; D400-K404 WeakPolarHBondContact O-CG 3.49Å; D400-K404 PolarHBondContact O-N 3.31Å; D400-K404 VanDerWaalsContact OD2-CE 3.29Å; D400-K404 WeakPolarHBondContact OD2-CE 3.46Å; D400-K404 IonicContact OD2-NZ 2.7Å; D400-K404 PolarHBondContact OD2-NZ 3.48Å |
| 401 | A | 95.8 | Very high | 96 | Very high | 54 Ų | 54 | 99.6 Ų | 99.6 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D397 K398 K404 E405 | D397-A401 WeakPolarHBondContact O-CB 3.34Å; D397-A401 PolarHBondContact O-N 3.36Å; K398-A401 PolarHBondContact O-N 3.43Å; A401-K404 PolarHBondContact O-N 2.83Å; A401-E405 PolarHBondContact O-N 2.87Å |
| 402 | L | 96.2 | Very high | 95.8 | Very high | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.7 | -35.8 | 175.3 | -73.4 | 171.7 | 0 | 0 | 0 | 112.4 | K398 Y399 E405 K406 | K398-L402 WeakPolarHBondContact O-CG 3.43Å; K398-L402 PolarHBondContact O-N 3.02Å; Y399-L402 PolarHBondContact O-N 2.84Å; L402-E405 PolarHBondContact O-N 3.31Å; L402-K406 WeakPolarHBondContact O-CB 3.35Å; L402-K406 PolarHBondContact O-N 2.84Å |
| 403 | L | 95.9 | Very high | 95.8 | Very high | 52 Ų | 52 | 96.8 Ų | 96.8 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 173 | -79.5 | -179.6 | 0 | 0 | 0 | 111.4 | Y399 D400 E405 K406 E407 | Y399-L403 HydrophobicContact CD1-CD1 3.96Å; Y399-L403 HydrophobicContact CD1-CG 4.4Å; Y399-L403 HydrophobicContact CE1-CD1 3.29Å; Y399-L403 HydrophobicContact CE1-CG 3.93Å; Y399-L403 HydrophobicContact CE2-CD1 4.42Å; Y399-L403 HydrophobicContact CE2-CD2 4.41Å; Y399-L403 HydrophobicContact CE2-CG 4.22Å; Y399-L403 PolarHBondContact O-N 3.32Å; D400-L403 WeakPolarHBondContact O-CB 3.33Å; D400-L403 PolarHBondContact O-N 2.83Å; L403-E405 VanDerWaalsContact C-N 3.32Å; L403-E405 PolarHBondContact O-N 3.32Å; L403-K406 WeakPolarHBondContact O-CB 3.45Å; L403-K406 PolarHBondContact O-N 2.98Å; L403-E407 WeakPolarHBondContact O-CG 3.49Å; L403-E407 PolarHBondContact O-N 2.93Å |
| 404 | K | 96.4 | Very high | 95.7 | Very high | 121 Ų | 121 | 92.9 Ų | 92.9 | 53% | 0.526 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 175.9 | -74 | 167.4 | 176 | 158.5 | 0 | 112.1 | D400 A401 E407 R408 | D400-K404 WeakPolarHBondContact O-CG 3.49Å; D400-K404 PolarHBondContact O-N 3.31Å; D400-K404 VanDerWaalsContact OD2-CE 3.29Å; D400-K404 WeakPolarHBondContact OD2-CE 3.46Å; D400-K404 IonicContact OD2-NZ 2.7Å; D400-K404 PolarHBondContact OD2-NZ 3.48Å; A401-K404 PolarHBondContact O-N 2.83Å; K404-E407 PolarHBondContact O-N 2.81Å; K404-R408 WeakPolarHBondContact O-CB 3.48Å; K404-R408 PolarHBondContact O-N 3.27Å |
| 405 | E | 95 | Very high | 95.5 | Very high | 97 Ų | 97 | 93 Ų | 93 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.4 | -172.8 | 174 | -169.1 | 0 | 0 | 111.8 | A401 L402 L403 E407 R408 L409 | A401-E405 PolarHBondContact O-N 2.87Å; L402-E405 PolarHBondContact O-N 3.31Å; L403-E405 VanDerWaalsContact C-N 3.32Å; L403-E405 PolarHBondContact O-N 3.32Å; E405-E407 PolarHBondContact O-N 3.4Å; E405-R408 WeakPolarHBondContact O-CB 3.48Å; E405-R408 PolarHBondContact O-N 2.87Å; E405-L409 HydrophobicContact CG-CD1 4.45Å; E405-L409 WeakPolarHBondContact O-CG 3.23Å; E405-L409 PolarHBondContact O-N 2.89Å |
| 406 | K | 95.1 | Very high | 95.4 | Very high | 125 Ų | 125 | 93.1 Ų | 93.1 | 54% | 0.543 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 172.7 | 177.7 | -170 | 171.5 | -170.8 | 0 | 111.5 | L402 L403 R408 L409 I410 | L402-K406 WeakPolarHBondContact O-CB 3.35Å; L402-K406 PolarHBondContact O-N 2.84Å; L403-K406 WeakPolarHBondContact O-CB 3.45Å; L403-K406 PolarHBondContact O-N 2.98Å; K406-R408 VanDerWaalsContact C-N 3.35Å; K406-L409 PolarHBondContact O-N 3.19Å; K406-I410 HydrophobicContact CG-CD1 4.02Å; K406-I410 WeakPolarHBondContact O-CB 3.33Å; K406-I410 VanDerWaalsContact O-CG1 3.25Å; K406-I410 WeakPolarHBondContact O-CG1 3.48Å; K406-I410 PolarHBondContact O-N 3.39Å |
| 407 | E | 96.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 176.2 | -74.5 | 174.3 | -178 | 0 | 0 | 111.8 | L403 K404 E405 I410 S411 | L403-E407 WeakPolarHBondContact O-CG 3.49Å; L403-E407 PolarHBondContact O-N 2.93Å; K404-E407 PolarHBondContact O-N 2.81Å; E405-E407 PolarHBondContact O-N 3.4Å; E407-I410 WeakPolarHBondContact O-CB 3.44Å; E407-I410 PolarHBondContact O-N 3.46Å; E407-S411 PolarHBondContact O-N 2.82Å; E407-S411 PolarHBondContact O-OG 3.43Å |
| 408 | R | 96.1 | Very high | 95 | Very high | 129 Ų | 129 | 96 Ų | 96 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 173.7 | -169.5 | -174 | 79.1 | 93.5 | 12.1 | 112.3 | K404 E405 K406 I410 S411 E412 | K404-R408 WeakPolarHBondContact O-CB 3.48Å; K404-R408 PolarHBondContact O-N 3.27Å; E405-R408 WeakPolarHBondContact O-CB 3.48Å; E405-R408 PolarHBondContact O-N 2.87Å; K406-R408 VanDerWaalsContact C-N 3.35Å; R408-I410 VanDerWaalsContact C-N 3.33Å; R408-S411 WeakPolarHBondContact CA-OG 3.4Å; R408-S411 PolarHBondContact O-N 2.91Å; R408-S411 PolarHBondContact O-OG 3.42Å; R408-E412 IonicContact CZ-OE1 2.65Å; R408-E412 IonicContact NE-OE1 3.86Å; R408-E412 IonicContact NH1-OE1 3.18Å; R408-E412 PolarHBondContact NH1-OE1 3.18Å; R408-E412 IonicContact NH2-OE1 2.97Å; R408-E412 IonicContact NH2-OE2 3.86Å; R408-E412 WeakPolarHBondContact O-CB 3.43Å; R408-E412 VanDerWaalsContact O-CG 3.31Å; R408-E412 WeakPolarHBondContact O-CG 3.18Å; R408-E412 PolarHBondContact O-N 2.99Å |
| 409 | L | 94.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 92.3 Ų | 92.3 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 176.1 | -71.6 | 172.8 | 0 | 0 | 0 | 111.9 | E405 K406 R413 | E405-L409 HydrophobicContact CG-CD1 4.45Å; E405-L409 WeakPolarHBondContact O-CG 3.23Å; E405-L409 PolarHBondContact O-N 2.89Å; K406-L409 PolarHBondContact O-N 3.19Å; L409-R413 WeakPolarHBondContact O-CB 3.21Å; L409-R413 PolarHBondContact O-N 2.92Å |
| 410 | I | 94.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 90.2 Ų | 90.2 | 35% | 0.354 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 173.9 | -76.1 | 169.6 | 0 | 0 | 0 | 109.9 | K406 E407 R408 R413 D414 | K406-I410 HydrophobicContact CG-CD1 4.02Å; K406-I410 WeakPolarHBondContact O-CB 3.33Å; K406-I410 VanDerWaalsContact O-CG1 3.25Å; K406-I410 WeakPolarHBondContact O-CG1 3.48Å; K406-I410 PolarHBondContact O-N 3.39Å; E407-I410 WeakPolarHBondContact O-CB 3.44Å; E407-I410 PolarHBondContact O-N 3.46Å; R408-I410 VanDerWaalsContact C-N 3.33Å; I410-R413 PolarHBondContact O-N 3.21Å; I410-D414 PolarHBondContact O-N 2.83Å; I410-D414 VanDerWaalsContact O-OD2 3.12Å |
| 411 | S | 94.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 91.4 Ų | 91.4 | 41% | 0.413 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 178.7 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | E407 R408 R413 D414 S415 | E407-S411 PolarHBondContact O-N 2.82Å; E407-S411 PolarHBondContact O-OG 3.43Å; R408-S411 WeakPolarHBondContact CA-OG 3.4Å; R408-S411 PolarHBondContact O-N 2.91Å; R408-S411 PolarHBondContact O-OG 3.42Å; S411-R413 VanDerWaalsContact C-N 3.31Å; S411-R413 PolarHBondContact O-N 2.81Å; S411-D414 PolarHBondContact O-N 3.47Å; S411-S415 WeakPolarHBondContact O-CB 2.98Å; S411-S415 PolarHBondContact O-N 2.91Å; S411-S415 PolarHBondContact O-OG 2.95Å |
| 412 | E | 93.6 | Very high | 93.3 | Very high | 78 Ų | 78 | 95.3 Ų | 95.3 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 172.3 | -77.4 | 176.4 | -178.1 | 0 | 0 | 111.5 | R408 S415 L416 | R408-E412 IonicContact CZ-OE1 2.65Å; R408-E412 IonicContact NE-OE1 3.86Å; R408-E412 IonicContact NH1-OE1 3.18Å; R408-E412 PolarHBondContact NH1-OE1 3.18Å; R408-E412 IonicContact NH2-OE1 2.97Å; R408-E412 IonicContact NH2-OE2 3.86Å; R408-E412 WeakPolarHBondContact O-CB 3.43Å; R408-E412 VanDerWaalsContact O-CG 3.31Å; R408-E412 WeakPolarHBondContact O-CG 3.18Å; R408-E412 PolarHBondContact O-N 2.99Å; E412-S415 PolarHBondContact O-N 3.47Å; E412-L416 WeakPolarHBondContact O-CB 3.37Å; E412-L416 VanDerWaalsContact O-CG 3.26Å; E412-L416 WeakPolarHBondContact O-CG 3.35Å; E412-L416 PolarHBondContact O-N 3.26Å |
| 413 | R | 94.6 | Very high | 92.7 | Very high | 112 Ų | 112 | 95.4 Ų | 95.4 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.3 | 175.6 | -81.2 | -50.1 | -164.2 | 4.8 | 111.9 | L409 I410 S411 R417 | L409-R413 WeakPolarHBondContact O-CB 3.21Å; L409-R413 PolarHBondContact O-N 2.92Å; I410-R413 PolarHBondContact O-N 3.21Å; S411-R413 VanDerWaalsContact C-N 3.31Å; S411-R413 PolarHBondContact O-N 2.81Å; R413-R417 VanDerWaalsContact NH1-NH1 3.18Å; R413-R417 WeakPolarHBondContact O-CB 3.45Å; R413-R417 PolarHBondContact O-N 3.42Å |
| 414 | D | 94.4 | Very high | 92 | Very high | 51 Ų | 51 | 100.5 Ų | 100.5 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 177.5 | -73.4 | -40 | 0 | 0 | 0 | 111.1 | I410 S411 L416 R417 E418 | I410-D414 PolarHBondContact O-N 2.83Å; I410-D414 VanDerWaalsContact O-OD2 3.12Å; S411-D414 PolarHBondContact O-N 3.47Å; D414-L416 PolarHBondContact O-N 2.71Å; D414-R417 WeakPolarHBondContact O-CB 3.27Å; D414-R417 PolarHBondContact O-N 3.35Å; D414-R417 VanDerWaalsContact O-N 3.15Å; D414-E418 WeakPolarHBondContact O-CG 3.45Å; D414-E418 PolarHBondContact O-N 3.32Å |
| 415 | S | 94.1 | Very high | 91 | Very high | 70 Ų | 70 | 98.6 Ų | 98.6 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 172.9 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | S411 E412 R417 E418 A419 | S411-S415 WeakPolarHBondContact O-CB 2.98Å; S411-S415 PolarHBondContact O-N 2.91Å; S411-S415 PolarHBondContact O-OG 2.95Å; E412-S415 PolarHBondContact O-N 3.47Å; S415-R417 VanDerWaalsContact C-N 3.31Å; S415-E418 PolarHBondContact O-N 3.24Å; S415-A419 WeakPolarHBondContact O-CB 3.43Å; S415-A419 PolarHBondContact O-N 3.29Å |
| 416 | L | 92.6 | Very high | 90.1 | Very high | 112 Ų | 112 | 95.8 Ų | 95.8 | 59% | 0.586 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.2 | -31.8 | 174.3 | -75.8 | 173.5 | 0 | 0 | 0 | 112.4 | E412 D414 N420 | E412-L416 WeakPolarHBondContact O-CB 3.37Å; E412-L416 VanDerWaalsContact O-CG 3.26Å; E412-L416 WeakPolarHBondContact O-CG 3.35Å; E412-L416 PolarHBondContact O-N 3.26Å; D414-L416 PolarHBondContact O-N 2.71Å; L416-N420 WeakPolarHBondContact O-CB 3.42Å; L416-N420 PolarHBondContact O-N 2.87Å; L416-N420 PolarHBondContact O-ND2 3.27Å |
| 417 | R | 93.4 | Very high | 88.9 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -47.7 | 172.6 | 175.9 | -178.2 | -94.3 | 166.9 | -9.7 | 110 | R413 D414 S415 A419 N420 D421 | R413-R417 VanDerWaalsContact NH1-NH1 3.18Å; R413-R417 WeakPolarHBondContact O-CB 3.45Å; R413-R417 PolarHBondContact O-N 3.42Å; D414-R417 WeakPolarHBondContact O-CB 3.27Å; D414-R417 PolarHBondContact O-N 3.35Å; D414-R417 VanDerWaalsContact O-N 3.15Å; S415-R417 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 2.98Å; R417-N420 WeakPolarHBondContact O-CB 3.26Å; R417-N420 PolarHBondContact O-N 3.18Å; R417-N420 VanDerWaalsContact O-N 3.16Å; R417-D421 PolarHBondContact O-N 3.32Å |
| 418 | E | 90.8 | Very high | 87.5 | Confident | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.6 | -48.9 | 173.6 | -73.1 | 172.5 | 176.7 | 0 | 0 | 110.9 | D414 S415 N420 D421 E422 | D414-E418 WeakPolarHBondContact O-CG 3.45Å; D414-E418 PolarHBondContact O-N 3.32Å; S415-E418 PolarHBondContact O-N 3.24Å; E418-N420 VanDerWaalsContact C-N 3.32Å; E418-N420 PolarHBondContact O-N 3.39Å; E418-D421 CarbonylContact O-C 3.55Å; E418-D421 PolarHBondContact O-N 3Å; E418-D421 VanDerWaalsContact O-N 3.1Å; E418-E422 WeakPolarHBondContact O-CB 3.3Å; E418-E422 WeakPolarHBondContact O-CG 3.22Å; E418-E422 PolarHBondContact O-N 3.39Å |
| 419 | A | 89.2 | Confident | 85.7 | Confident | 36 Ų | 36 | 95 Ų | 95 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S415 R417 L423 | S415-A419 WeakPolarHBondContact O-CB 3.43Å; S415-A419 PolarHBondContact O-N 3.29Å; R417-A419 PolarHBondContact O-N 2.98Å; A419-L423 VanDerWaalsContact O-CB 3.27Å; A419-L423 WeakPolarHBondContact O-CB 3.24Å; A419-L423 VanDerWaalsContact O-CG 3.23Å; A419-L423 WeakPolarHBondContact O-CG 3.29Å; A419-L423 PolarHBondContact O-N 2.92Å |
| 420 | N | 86.9 | Confident | 83.8 | Confident | 91 Ų | 91 | 96.4 Ų | 96.4 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 172.6 | -98.7 | -84.9 | 0 | 0 | 0 | 112.1 | L416 R417 E418 L423 R424 | L416-N420 WeakPolarHBondContact O-CB 3.42Å; L416-N420 PolarHBondContact O-N 2.87Å; L416-N420 PolarHBondContact O-ND2 3.27Å; R417-N420 WeakPolarHBondContact O-CB 3.26Å; R417-N420 PolarHBondContact O-N 3.18Å; R417-N420 VanDerWaalsContact O-N 3.16Å; E418-N420 VanDerWaalsContact C-N 3.32Å; E418-N420 PolarHBondContact O-N 3.39Å; N420-L423 PolarHBondContact O-N 2.97Å; N420-R424 WeakPolarHBondContact O-CB 3.47Å; N420-R424 VanDerWaalsContact O-CG 3.31Å; N420-R424 WeakPolarHBondContact O-CG 3.34Å; N420-R424 PolarHBondContact O-N 3.48Å |
| 421 | D | 88 | Confident | 81.8 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 177.9 | -70.6 | -24 | 0 | 0 | 0 | 110.8 | R417 E418 R424 C425 | R417-D421 PolarHBondContact O-N 3.32Å; E418-D421 CarbonylContact O-C 3.55Å; E418-D421 PolarHBondContact O-N 3Å; E418-D421 VanDerWaalsContact O-N 3.1Å; D421-R424 PolarHBondContact O-N 3.47Å; D421-C425 WeakPolarHBondContact O-CB 3.44Å; D421-C425 PolarHBondContact O-N 3Å; D421-C425 PolarHBondContact O-SG 3.49Å |
| 422 | E | 87.6 | Confident | 79.6 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 169.7 | -74.7 | -179.9 | 177.4 | 0 | 0 | 111.7 | E418 R424 C425 A426 | E418-E422 WeakPolarHBondContact O-CB 3.3Å; E418-E422 WeakPolarHBondContact O-CG 3.22Å; E418-E422 PolarHBondContact O-N 3.39Å; E422-R424 VanDerWaalsContact C-N 3.31Å; E422-R424 PolarHBondContact O-N 3.17Å; E422-C425 CarbonylContact O-C 3.57Å; E422-C425 WeakPolarHBondContact O-CB 3.3Å; E422-C425 PolarHBondContact O-N 3.3Å; E422-A426 VanDerWaalsContact O-CB 3.23Å; E422-A426 WeakPolarHBondContact O-CB 3.28Å; E422-A426 PolarHBondContact O-N 2.93Å |
| 423 | L | 83.1 | Confident | 77.1 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -35.3 | 175.4 | -79 | 173.1 | 0 | 0 | 0 | 111.9 | A419 N420 A426 Q427 | A419-L423 VanDerWaalsContact O-CB 3.27Å; A419-L423 WeakPolarHBondContact O-CB 3.24Å; A419-L423 VanDerWaalsContact O-CG 3.23Å; A419-L423 WeakPolarHBondContact O-CG 3.29Å; A419-L423 PolarHBondContact O-N 2.92Å; N420-L423 PolarHBondContact O-N 2.97Å; L423-A426 CarbonylContact O-C 3.58Å; L423-A426 PolarHBondContact O-N 2.8Å; L423-Q427 VanDerWaalsContact O-CB 3.27Å; L423-Q427 WeakPolarHBondContact O-CB 3.29Å; L423-Q427 PolarHBondContact O-N 3.33Å |
| 424 | R | 80.5 | Confident | 74.6 | Confident | 159 Ų | 159 | 99.5 Ų | 99.5 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.6 | -43.4 | 171 | -79.3 | 175.5 | 169.3 | -177.1 | -2.9 | 111.2 | N420 D421 E422 A426 Q427 V428 | N420-R424 WeakPolarHBondContact O-CB 3.47Å; N420-R424 VanDerWaalsContact O-CG 3.31Å; N420-R424 WeakPolarHBondContact O-CG 3.34Å; N420-R424 PolarHBondContact O-N 3.48Å; D421-R424 PolarHBondContact O-N 3.47Å; E422-R424 VanDerWaalsContact C-N 3.31Å; E422-R424 PolarHBondContact O-N 3.17Å; R424-A426 VanDerWaalsContact C-N 3.32Å; R424-Q427 PolarHBondContact O-N 3.26Å; R424-V428 WeakPolarHBondContact O-CB 3.34Å; R424-V428 VanDerWaalsContact O-CG2 3.27Å; R424-V428 WeakPolarHBondContact O-CG2 3.48Å; R424-V428 PolarHBondContact O-N 2.85Å |
| 425 | C | 76.3 | Confident | 71.6 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62 | -40.6 | 172.9 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | D421 E422 V428 Q429 | D421-C425 WeakPolarHBondContact O-CB 3.44Å; D421-C425 PolarHBondContact O-N 3Å; D421-C425 PolarHBondContact O-SG 3.49Å; E422-C425 CarbonylContact O-C 3.57Å; E422-C425 WeakPolarHBondContact O-CB 3.3Å; E422-C425 PolarHBondContact O-N 3.3Å; C425-V428 CarbonylContact O-C 3.59Å; C425-V428 PolarHBondContact O-N 3.04Å; C425-Q429 WeakPolarHBondContact O-CB 3.35Å; C425-Q429 WeakPolarHBondContact O-CG 3.33Å; C425-Q429 PolarHBondContact O-N 3.44Å |
| 426 | A | 75.3 | Confident | 68.8 | Low | 38 Ų | 38 | 102.5 Ų | 102.5 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.2 | -32.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E422 L423 R424 Q429 Q430 | E422-A426 VanDerWaalsContact O-CB 3.23Å; E422-A426 WeakPolarHBondContact O-CB 3.28Å; E422-A426 PolarHBondContact O-N 2.93Å; L423-A426 CarbonylContact O-C 3.58Å; L423-A426 PolarHBondContact O-N 2.8Å; R424-A426 VanDerWaalsContact C-N 3.32Å; A426-Q429 CarbonylContact O-C 3.53Å; A426-Q429 PolarHBondContact O-N 3.11Å; A426-Q430 WeakPolarHBondContact O-CA 3.45Å; A426-Q430 WeakPolarHBondContact O-CB 3.26Å; A426-Q430 PolarHBondContact O-N 3.43Å |
| 427 | Q | 70.1 | Confident | 65.9 | Low | 135 Ų | 135 | 102 Ų | 102 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.1 | -32.1 | 170 | -92.8 | -176 | -14.5 | 0 | 0 | 112.2 | L423 R424 Q430 G431 | L423-Q427 VanDerWaalsContact O-CB 3.27Å; L423-Q427 WeakPolarHBondContact O-CB 3.29Å; L423-Q427 PolarHBondContact O-N 3.33Å; R424-Q427 PolarHBondContact O-N 3.26Å; Q427-Q430 CarbonylContact O-C 3.54Å; Q427-G431 WeakPolarHBondContact O-CA 3.47Å; Q427-G431 PolarHBondContact O-N 2.91Å |
| 428 | V | 66.7 | Low | 62.8 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 61% | 0.606 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.4 | -40.2 | 170.2 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | R424 C425 G431 C432 | R424-V428 WeakPolarHBondContact O-CB 3.34Å; R424-V428 VanDerWaalsContact O-CG2 3.27Å; R424-V428 WeakPolarHBondContact O-CG2 3.48Å; R424-V428 PolarHBondContact O-N 2.85Å; C425-V428 CarbonylContact O-C 3.59Å; C425-V428 PolarHBondContact O-N 3.04Å; V428-G431 CarbonylContact O-C 3.58Å; V428-G431 PolarHBondContact O-N 2.92Å; V428-C432 PolarHBondContact O-N 3.2Å; V428-C432 PolarHBondContact O-SG 2.91Å |
| 429 | Q | 59.7 | Low | 60.3 | Low | 129 Ų | 129 | 102.9 Ų | 102.9 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67 | -39.5 | 171.7 | -80.6 | -179 | -8.4 | 0 | 0 | 112 | C425 A426 G431 C432 L433 | C425-Q429 WeakPolarHBondContact O-CB 3.35Å; C425-Q429 WeakPolarHBondContact O-CG 3.33Å; C425-Q429 PolarHBondContact O-N 3.44Å; A426-Q429 CarbonylContact O-C 3.53Å; A426-Q429 PolarHBondContact O-N 3.11Å; Q429-G431 VanDerWaalsContact C-N 3.34Å; Q429-C432 CarbonylContact O-C 3.28Å; Q429-C432 VanDerWaalsContact O-C 3.28Å; Q429-C432 WeakPolarHBondContact O-CA 3.43Å; Q429-C432 WeakPolarHBondContact O-CB 3.35Å; Q429-C432 PolarHBondContact O-N 2.95Å; Q429-C432 VanDerWaalsContact O-N 3.1Å; Q429-L433 WeakPolarHBondContact O-CA 3.36Å; Q429-L433 WeakPolarHBondContact O-CB 3.48Å; Q429-L433 WeakPolarHBondContact O-CG 3.36Å; Q429-L433 PolarHBondContact O-N 3.41Å |
| 430 | Q | 54.4 | Low | 57.8 | Low | 118 Ų | 118 | 106.1 Ų | 106.1 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.6 | -26.1 | 169.9 | -94.3 | -178.3 | -26.1 | 0 | 0 | 111.1 | A426 Q427 C432 L433 S434 | A426-Q430 WeakPolarHBondContact O-CA 3.45Å; A426-Q430 WeakPolarHBondContact O-CB 3.26Å; A426-Q430 PolarHBondContact O-N 3.43Å; Q427-Q430 CarbonylContact O-C 3.54Å; Q430-C432 PolarHBondContact O-N 2.89Å; Q430-L433 PolarHBondContact O-N 3.18Å; Q430-S434 WeakPolarHBondContact O-CA 3.41Å; Q430-S434 WeakPolarHBondContact O-CB 3.37Å; Q430-S434 PolarHBondContact O-N 3.41Å; Q430-S434 PolarHBondContact O-OG 3.32Å |
| 431 | G | 53.2 | Low | 55.2 | Low | 67 Ų | 67 | 110 Ų | 110 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.4 | -29.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q427 V428 Q429 | Q427-G431 WeakPolarHBondContact O-CA 3.47Å; Q427-G431 PolarHBondContact O-N 2.91Å; V428-G431 CarbonylContact O-C 3.58Å; V428-G431 PolarHBondContact O-N 2.92Å; Q429-G431 VanDerWaalsContact C-N 3.34Å |
| 432 | C | 47.5 | Very low | 52.5 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 69% | 0.689 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.4 | -18.3 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 114.3 | V428 Q429 Q430 | V428-C432 PolarHBondContact O-N 3.2Å; V428-C432 PolarHBondContact O-SG 2.91Å; Q429-C432 CarbonylContact O-C 3.28Å; Q429-C432 VanDerWaalsContact O-C 3.28Å; Q429-C432 WeakPolarHBondContact O-CA 3.43Å; Q429-C432 WeakPolarHBondContact O-CB 3.35Å; Q429-C432 PolarHBondContact O-N 2.95Å; Q429-C432 VanDerWaalsContact O-N 3.1Å; Q430-C432 PolarHBondContact O-N 2.89Å |
| 433 | L | 40.5 | Very low | 50.1 | Low | 120 Ų | 120 | 110 Ų | 110 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -139.6 | 16.8 | -168.6 | -61 | 167.9 | 0 | 0 | 0 | 113.3 | Q429 Q430 G435 | Q429-L433 WeakPolarHBondContact O-CA 3.36Å; Q429-L433 WeakPolarHBondContact O-CB 3.48Å; Q429-L433 WeakPolarHBondContact O-CG 3.36Å; Q429-L433 PolarHBondContact O-N 3.41Å; Q430-L433 PolarHBondContact O-N 3.18Å; L433-G435 CarbonylContact O-C 3.53Å; L433-G435 PolarHBondContact O-N 2.9Å |
| 434 | S | 41.8 | Very low | 47.9 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | trans | -84.6 | 53.6 | 156.5 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | Q430 | Q430-S434 WeakPolarHBondContact O-CA 3.41Å; Q430-S434 WeakPolarHBondContact O-CB 3.37Å; Q430-S434 PolarHBondContact O-N 3.41Å; Q430-S434 PolarHBondContact O-OG 3.32Å | ||
| 435 | G | 31.3 | Very low | 46.5 | Very low | 52 Ų | 52 | 108.7 Ų | 108.7 | 54% | 0.536 | 68% | 0.676 | S | S | . | * | S | Bend | -100.8 | 123.2 | 120 | 0 | 0 | 0 | 0 | 0 | 107.3 | L433 | L433-G435 CarbonylContact O-C 3.53Å; L433-G435 PolarHBondContact O-N 2.9Å | |
| 436 | T | 35.1 | Very low | 44.9 | Very low | 132 Ų | 132 | 111.5 Ų | 111.5 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | 76.3 | 104.4 | 166.2 | 62.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 437 | A | 32.4 | Very low | 43 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | 70.7 | 143.5 | 83.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 438 | D | 29.2 | Very low | 42.1 | Very low | 132 Ų | 132 | 114.3 Ų | 114.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | 179.3 | 152.5 | -10 | -170.6 | 12.5 | 0 | 0 | 0 | 105.1 | ||||
| 439 | L | 38 | Very low | 41.1 | Very low | 150 Ų | 150 | 118.2 Ų | 118.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 68.5 | 152.6 | 163.6 | -47.7 | 179.2 | 0 | 0 | 0 | 118.8 | ||||
| 440 | S | 35.5 | Very low | 40.3 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -172.6 | 139.4 | 4.8 | 44.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 441 | D | 32.4 | Very low | 40.2 | Very low | 171 Ų | 171 | 115.6 Ų | 115.6 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | 60.9 | 136.4 | 101.6 | -157.2 | 30.6 | 0 | 0 | 0 | 118.2 | |||||
| 442 | G | 32 | Very low | 40 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 150 | 90.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 443 | D | 37.7 | Very low | 40.3 | Very low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -59.1 | 163.8 | 160.4 | -178.3 | 29.8 | 0 | 0 | 0 | 113.7 | ||||
| 444 | V | 36.1 | Very low | 40.8 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 163.1 | 121.6 | 140.3 | 161 | 0 | 0 | 0 | 0 | 113.4 | V446 | V444-V446 HydrophobicContact CG1-CG2 3.95Š| ||
| 445 | T | 51.7 | Low | 41.6 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -75 | 138.1 | 163.8 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 446 | V | 42.9 | Very low | 43.1 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -146.2 | 122.9 | 159.6 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | V444 | V444-V446 HydrophobicContact CG1-CG2 3.95Š| ||
| 447 | G | 35.4 | Very low | 44.5 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | -102.2 | 150.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 448 | N | 50.3 | Low | 46 | Very low | 166 Ų | 166 | 122.4 Ų | 122.4 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | 42.9 | 96.8 | 149.6 | -74.7 | -8.9 | 0 | 0 | 0 | 120.3 | ||||
| 449 | L | 45.1 | Very low | 47.7 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 95% | 0.953 | 72% | 0.72 | S | S | * | * | trans | -134.9 | 42.3 | 159.1 | -166.8 | 70.4 | 0 | 0 | 0 | 111.6 | ||||
| 450 | A | 44.4 | Very low | 49.3 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | trans | -124.3 | 31.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 451 | A | 52.1 | Low | 51.3 | Low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -108.5 | -11.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 452 | E | 49.3 | Very low | 53.5 | Low | 191 Ų | 191 | 114.1 Ų | 114.1 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -115.7 | 9.6 | -162.5 | -117.2 | 178.2 | 178.1 | 0 | 0 | 117.2 | ||
| 453 | I | 53.7 | Low | 55.7 | Low | 155 Ų | 155 | 115.1 Ų | 115.1 | 80% | 0.795 | 66% | 0.659 | S | S | * | * | trans | -136 | 81.8 | 174.9 | -49.7 | 174.9 | 0 | 0 | 0 | 109.5 | ||||
| 454 | M | 50.3 | Low | 57.9 | Low | 108 Ų | 108 | 116 Ų | 116 | 53% | 0.532 | 65% | 0.652 | S | S | . | * | trans | -118.2 | 111.1 | 170.7 | -69.5 | -61.6 | -81.4 | 0 | 0 | 111.3 | L458 | M454-L458 HydrophobicContact CE-CB 3.83Å; M454-L458 HydrophobicContact CE-CD1 3.51Å; M454-L458 HydrophobicContact CE-CD2 3.79Å; M454-L458 HydrophobicContact CE-CG 3.89Å; M454-L458 HydrophobicContact SD-CD1 4Å | ||
| 455 | P | 59.5 | Low | 60 | Low | 63 Ų | 63 | 114.7 Ų | 114.7 | 41% | 0.409 | 64% | 0.641 | S | S | . | * | trans | -49.5 | 154.6 | 174.6 | -29.7 | 31.7 | 0 | 0 | 0 | 115.5 | E457 L458 K459 | P455-E457 VanDerWaalsContact C-N 3.29Å; P455-E457 WeakPolarHBondContact CB-OE2 3.46Å; P455-E457 PolarHBondContact O-N 3.47Å; P455-L458 HydrophobicContact CB-CD1 4.26Å; P455-L458 HydrophobicContact CG-CD1 4.02Å; P455-L458 WeakPolarHBondContact O-CB 3.42Å; P455-L458 PolarHBondContact O-N 3.45Å; P455-K459 PolarHBondContact O-N 3.49Å | ||
| 456 | T | 61.1 | Low | 61.5 | Low | 96 Ų | 96 | 114.5 Ų | 114.5 | 59% | 0.589 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.5 | -31.7 | -178.7 | 24.7 | 0 | 0 | 0 | 0 | 113.9 | L458 K459 E460 | T456-L458 VanDerWaalsContact C-N 3.27Å; T456-L458 PolarHBondContact O-N 3.49Å; T456-K459 PolarHBondContact O-N 3.24Å; T456-E460 PolarHBondContact O-N 3.16Å |
| 457 | E | 65.5 | Low | 63.3 | Low | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.3 | -33.7 | 174 | -56.9 | 77.9 | -164.4 | 0 | 0 | 111.4 | P455 E460 T461 | P455-E457 VanDerWaalsContact C-N 3.29Å; P455-E457 WeakPolarHBondContact CB-OE2 3.46Å; P455-E457 PolarHBondContact O-N 3.47Å; E457-E460 PolarHBondContact O-N 2.75Å; E457-T461 WeakPolarHBondContact O-CG2 3.35Å; E457-T461 PolarHBondContact O-N 2.93Å |
| 458 | L | 63 | Low | 65.7 | Low | 69 Ų | 69 | 113.1 Ų | 113.1 | 36% | 0.361 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.3 | -34.1 | 176.2 | -78.1 | 153.7 | 0 | 0 | 0 | 111.4 | M454 P455 T456 T461 V462 | M454-L458 HydrophobicContact CE-CB 3.83Å; M454-L458 HydrophobicContact CE-CD1 3.51Å; M454-L458 HydrophobicContact CE-CD2 3.79Å; M454-L458 HydrophobicContact CE-CG 3.89Å; M454-L458 HydrophobicContact SD-CD1 4Å; P455-L458 HydrophobicContact CB-CD1 4.26Å; P455-L458 HydrophobicContact CG-CD1 4.02Å; P455-L458 WeakPolarHBondContact O-CB 3.42Å; P455-L458 PolarHBondContact O-N 3.45Å; T456-L458 VanDerWaalsContact C-N 3.27Å; T456-L458 PolarHBondContact O-N 3.49Å; L458-T461 WeakPolarHBondContact CA-OG1 3.48Å; L458-T461 PolarHBondContact O-N 2.93Å; L458-T461 PolarHBondContact O-OG1 3.46Å; L458-V462 WeakPolarHBondContact O-CB 3.35Å; L458-V462 VanDerWaalsContact O-CG2 3.22Å; L458-V462 WeakPolarHBondContact O-CG2 3.37Å; L458-V462 PolarHBondContact O-N 3.05Å |
| 459 | K | 66.7 | Low | 67.3 | Low | 132 Ų | 132 | 109.9 Ų | 109.9 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.9 | -40.2 | 173 | -67.3 | 178.5 | -178.4 | 175.9 | 0 | 112.2 | P455 T456 V462 V463 | P455-K459 PolarHBondContact O-N 3.49Å; T456-K459 PolarHBondContact O-N 3.24Å; K459-V462 PolarHBondContact O-N 2.88Å; K459-V463 WeakPolarHBondContact O-CG2 3.43Å; K459-V463 PolarHBondContact O-N 3.45Å |
| 460 | E | 71.4 | Confident | 69.3 | Low | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.3 | -37.8 | 175.3 | -70.1 | -177.3 | 173.5 | 0 | 0 | 112.6 | T456 E457 V462 V463 R464 | T456-E460 PolarHBondContact O-N 3.16Å; E457-E460 PolarHBondContact O-N 2.75Å; E460-V462 VanDerWaalsContact C-N 3.34Å; E460-V463 PolarHBondContact O-N 3.28Å; E460-R464 PolarHBondContact O-N 3.41Å |
| 461 | T | 77.2 | Confident | 71.2 | Confident | 47 Ų | 47 | 111 Ų | 111 | 29% | 0.288 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.5 | -38.8 | 171.7 | 60.6 | 0 | 0 | 0 | 0 | 112 | E457 L458 R464 L465 | E457-T461 WeakPolarHBondContact O-CG2 3.35Å; E457-T461 PolarHBondContact O-N 2.93Å; L458-T461 WeakPolarHBondContact CA-OG1 3.48Å; L458-T461 PolarHBondContact O-N 2.93Å; L458-T461 PolarHBondContact O-OG1 3.46Å; T461-R464 PolarHBondContact O-N 3.33Å; T461-L465 VanDerWaalsContact O-CB 3.32Å; T461-L465 WeakPolarHBondContact O-CB 3.47Å; T461-L465 VanDerWaalsContact O-CG 3.23Å; T461-L465 WeakPolarHBondContact O-CG 3.42Å; T461-L465 PolarHBondContact O-N 2.86Å |
| 462 | V | 77.9 | Confident | 72.8 | Confident | 66 Ų | 66 | 110.6 Ų | 110.6 | 40% | 0.4 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | L458 K459 E460 L465 Q466 | L458-V462 WeakPolarHBondContact O-CB 3.35Å; L458-V462 VanDerWaalsContact O-CG2 3.22Å; L458-V462 WeakPolarHBondContact O-CG2 3.37Å; L458-V462 PolarHBondContact O-N 3.05Å; K459-V462 PolarHBondContact O-N 2.88Å; E460-V462 VanDerWaalsContact C-N 3.34Å; V462-L465 PolarHBondContact O-N 3.24Å; V462-Q466 HydrophobicContact CG1-CG 4.31Å; V462-Q466 VanDerWaalsContact O-CB 3.28Å; V462-Q466 WeakPolarHBondContact O-CB 3.42Å; V462-Q466 WeakPolarHBondContact O-CG 3.37Å; V462-Q466 PolarHBondContact O-N 2.91Å |
| 463 | V | 79.2 | Confident | 74.6 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | K459 E460 Q466 S467 | K459-V463 WeakPolarHBondContact O-CG2 3.43Å; K459-V463 PolarHBondContact O-N 3.45Å; E460-V463 PolarHBondContact O-N 3.28Å; V463-Q466 PolarHBondContact O-N 3.38Å; V463-S467 PolarHBondContact O-N 2.79Å |
| 464 | R | 82.2 | Confident | 76 | Confident | 162 Ų | 162 | 99.7 Ų | 99.7 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -49.6 | 173.1 | -118.7 | -172 | -57.5 | 163.5 | 2.5 | 111.3 | E460 T461 Q466 S467 E468 | E460-R464 PolarHBondContact O-N 3.41Å; T461-R464 PolarHBondContact O-N 3.33Å; R464-Q466 VanDerWaalsContact C-N 3.27Å; R464-Q466 PolarHBondContact O-N 3.41Å; R464-S467 PolarHBondContact O-N 3.42Å; R464-S467 VanDerWaalsContact O-N 3.12Å; R464-S467 PolarHBondContact O-OG 2.84Å; R464-E468 WeakPolarHBondContact O-CB 3.27Å; R464-E468 PolarHBondContact O-N 2.91Å |
| 465 | L | 82 | Confident | 77.8 | Confident | 94 Ų | 94 | 98.7 Ų | 98.7 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -29.8 | 177 | -72 | 170.9 | 0 | 0 | 0 | 112.5 | T461 V462 N469 | T461-L465 VanDerWaalsContact O-CB 3.32Å; T461-L465 WeakPolarHBondContact O-CB 3.47Å; T461-L465 VanDerWaalsContact O-CG 3.23Å; T461-L465 WeakPolarHBondContact O-CG 3.42Å; T461-L465 PolarHBondContact O-N 2.86Å; V462-L465 PolarHBondContact O-N 3.24Å; L465-N469 VanDerWaalsContact O-CB 3.23Å; L465-N469 WeakPolarHBondContact O-CB 3.23Å; L465-N469 PolarHBondContact O-N 2.8Å; L465-N469 PolarHBondContact O-ND2 2.95Å |
| 466 | Q | 81.4 | Confident | 79.2 | Confident | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.3 | -40.2 | 172 | -79.4 | 172.8 | -9.8 | 0 | 0 | 111.6 | V462 V463 R464 K470 | V462-Q466 HydrophobicContact CG1-CG 4.31Å; V462-Q466 VanDerWaalsContact O-CB 3.28Å; V462-Q466 WeakPolarHBondContact O-CB 3.42Å; V462-Q466 WeakPolarHBondContact O-CG 3.37Å; V462-Q466 PolarHBondContact O-N 2.91Å; V463-Q466 PolarHBondContact O-N 3.38Å; R464-Q466 VanDerWaalsContact C-N 3.27Å; R464-Q466 PolarHBondContact O-N 3.41Å; Q466-K470 WeakPolarHBondContact O-CB 3.42Å; Q466-K470 PolarHBondContact O-N 2.99Å |
| 467 | S | 81.1 | Confident | 80.4 | Confident | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 174.4 | 74.2 | 0 | 0 | 0 | 0 | 111.9 | V463 R464 K470 M471 | V463-S467 PolarHBondContact O-N 2.79Å; R464-S467 PolarHBondContact O-N 3.42Å; R464-S467 VanDerWaalsContact O-N 3.12Å; R464-S467 PolarHBondContact O-OG 2.84Å; S467-K470 PolarHBondContact O-N 3.47Å; S467-M471 WeakPolarHBondContact O-CG 3.29Å; S467-M471 PolarHBondContact O-N 2.75Å |
| 468 | E | 87.1 | Confident | 81.5 | Confident | 110 Ų | 110 | 97.9 Ų | 97.9 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 174.8 | -171.6 | 174.7 | -175.9 | 0 | 0 | 111.1 | R464 K470 M471 L472 | R464-E468 WeakPolarHBondContact O-CB 3.27Å; R464-E468 PolarHBondContact O-N 2.91Å; E468-K470 VanDerWaalsContact C-N 3.3Å; E468-K470 PolarHBondContact O-N 3.36Å; E468-M471 WeakPolarHBondContact O-CB 3.34Å; E468-M471 PolarHBondContact O-N 3.29Å; E468-L472 HydrophobicContact CG-CD1 4.26Å; E468-L472 WeakPolarHBondContact O-CB 3.34Å; E468-L472 WeakPolarHBondContact O-CG 3.48Å; E468-L472 PolarHBondContact O-N 2.9Å |
| 469 | N | 84.2 | Confident | 82.8 | Confident | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 171.1 | -101 | -59 | 0 | 0 | 0 | 111.9 | L465 M471 L472 C473 | L465-N469 VanDerWaalsContact O-CB 3.23Å; L465-N469 WeakPolarHBondContact O-CB 3.23Å; L465-N469 PolarHBondContact O-N 2.8Å; L465-N469 PolarHBondContact O-ND2 2.95Å; N469-M471 VanDerWaalsContact C-N 3.31Å; N469-M471 PolarHBondContact O-N 3.33Å; N469-L472 PolarHBondContact O-N 3.44Å; N469-C473 WeakPolarHBondContact O-CB 3.46Å; N469-C473 PolarHBondContact O-N 3.17Å; N469-C473 PolarHBondContact O-SG 2.91Å |
| 470 | K | 85.5 | Confident | 84 | Confident | 164 Ų | 164 | 101.3 Ų | 101.3 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 177.8 | -168.7 | 175.4 | -179.1 | 179.7 | 0 | 111.6 | Q466 S467 E468 A474 | Q466-K470 WeakPolarHBondContact O-CB 3.42Å; Q466-K470 PolarHBondContact O-N 2.99Å; S467-K470 PolarHBondContact O-N 3.47Å; E468-K470 VanDerWaalsContact C-N 3.3Å; E468-K470 PolarHBondContact O-N 3.36Å; K470-A474 PolarHBondContact O-N 3.42Å; K470-A474 VanDerWaalsContact O-N 3.09Å |
| 471 | M | 85.3 | Confident | 84.9 | Confident | 139 Ų | 139 | 100.1 Ų | 100.1 | 69% | 0.685 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 173.7 | -74 | -65.5 | -63.6 | 0 | 0 | 112 | S467 E468 N469 A474 Q475 | S467-M471 WeakPolarHBondContact O-CG 3.29Å; S467-M471 PolarHBondContact O-N 2.75Å; E468-M471 WeakPolarHBondContact O-CB 3.34Å; E468-M471 PolarHBondContact O-N 3.29Å; N469-M471 VanDerWaalsContact C-N 3.31Å; N469-M471 PolarHBondContact O-N 3.33Å; M471-A474 PolarHBondContact O-N 3.23Å; M471-Q475 WeakPolarHBondContact O-CB 3.29Å; M471-Q475 PolarHBondContact O-N 3.42Å |
| 472 | L | 86.1 | Confident | 85.7 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.7 | -72.5 | 170.8 | 0 | 0 | 0 | 111.8 | E468 N469 Q475 E476 | E468-L472 HydrophobicContact CG-CD1 4.26Å; E468-L472 WeakPolarHBondContact O-CB 3.34Å; E468-L472 WeakPolarHBondContact O-CG 3.48Å; E468-L472 PolarHBondContact O-N 2.9Å; N469-L472 PolarHBondContact O-N 3.44Å; L472-Q475 PolarHBondContact O-N 2.88Å; L472-E476 WeakPolarHBondContact O-CB 3.47Å; L472-E476 PolarHBondContact O-N 3.4Å |
| 473 | C | 85.6 | Confident | 86.3 | Confident | 67 Ų | 67 | 105.9 Ų | 105.9 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 174 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | N469 Q475 E476 E477 | N469-C473 WeakPolarHBondContact O-CB 3.46Å; N469-C473 PolarHBondContact O-N 3.17Å; N469-C473 PolarHBondContact O-SG 2.91Å; C473-Q475 VanDerWaalsContact C-N 3.3Å; C473-Q475 PolarHBondContact O-N 3.33Å; C473-E476 PolarHBondContact O-N 2.96Å; C473-E477 WeakPolarHBondContact O-CB 3.41Å; C473-E477 PolarHBondContact O-N 2.92Å |
| 474 | A | 84.3 | Confident | 87 | Confident | 51 Ų | 51 | 106.3 Ų | 106.3 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K470 M471 E477 T478 | K470-A474 PolarHBondContact O-N 3.42Å; K470-A474 VanDerWaalsContact O-N 3.09Å; M471-A474 PolarHBondContact O-N 3.23Å; A474-E477 PolarHBondContact O-N 3.43Å; A474-T478 WeakPolarHBondContact O-CG2 3.46Å; A474-T478 PolarHBondContact O-N 2.89Å |
| 475 | Q | 87.6 | Confident | 87.4 | Confident | 87 Ų | 87 | 104.4 Ų | 104.4 | 41% | 0.407 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.6 | -166 | -176.7 | -2.1 | 0 | 0 | 111.6 | M471 L472 C473 E477 T478 Y479 | M471-Q475 WeakPolarHBondContact O-CB 3.29Å; M471-Q475 PolarHBondContact O-N 3.42Å; L472-Q475 PolarHBondContact O-N 2.88Å; C473-Q475 VanDerWaalsContact C-N 3.3Å; C473-Q475 PolarHBondContact O-N 3.33Å; Q475-E477 VanDerWaalsContact C-N 3.3Å; Q475-E477 PolarHBondContact O-N 3.31Å; Q475-T478 PolarHBondContact O-N 3.48Å; Q475-T478 PolarHBondContact O-OG1 3.22Å; Q475-Y479 HydrophobicContact CG-CD2 4Å; Q475-Y479 HydrophobicContact CG-CE2 3.5Å; Q475-Y479 VanDerWaalsContact CG-CE2 3.5Å; Q475-Y479 PolarHBondContact NE2-OH 2.87Å; Q475-Y479 VanDerWaalsContact NE2-OH 3.15Å; Q475-Y479 WeakPolarHBondContact O-CD2 3.39Å; Q475-Y479 PolarHBondContact O-N 3.42Å |
| 476 | E | 88.9 | Confident | 87.9 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 174.7 | -167.4 | -165 | -167.1 | 0 | 0 | 111.4 | L472 C473 Y479 R480 | L472-E476 WeakPolarHBondContact O-CB 3.47Å; L472-E476 PolarHBondContact O-N 3.4Å; C473-E476 PolarHBondContact O-N 2.96Å; E476-Y479 PolarHBondContact O-N 2.85Å; E476-R480 VanDerWaalsContact CD-CZ 3.42Å; E476-R480 VanDerWaalsContact CD-NH2 3.35Å; E476-R480 WeakPolarHBondContact O-CG 3.48Å; E476-R480 PolarHBondContact O-N 3.3Å; E476-R480 IonicContact OE1-CZ 3.64Å; E476-R480 IonicContact OE1-NH1 2.84Å; E476-R480 PolarHBondContact OE1-NH1 3.38Å; E476-R480 IonicContact OE1-NH2 3.68Å; E476-R480 PolarHBondContact OE1-NH2 3.43Å; E476-R480 IonicContact OE2-CZ 2.79Å; E476-R480 IonicContact OE2-NH1 2.8Å; E476-R480 PolarHBondContact OE2-NH1 2.86Å; E476-R480 IonicContact OE2-NH2 3.81Å |
| 477 | E | 86.6 | Confident | 88.4 | Confident | 117 Ų | 117 | 103.4 Ų | 103.4 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.5 | -163 | 159.7 | -159.5 | 0 | 0 | 112 | C473 A474 Q475 Y479 R480 Q481 | C473-E477 WeakPolarHBondContact O-CB 3.41Å; C473-E477 PolarHBondContact O-N 2.92Å; A474-E477 PolarHBondContact O-N 3.43Å; Q475-E477 VanDerWaalsContact C-N 3.3Å; Q475-E477 PolarHBondContact O-N 3.31Å; E477-Y479 VanDerWaalsContact C-N 3.35Å; E477-Y479 PolarHBondContact O-N 2.97Å; E477-R480 PolarHBondContact O-N 3.06Å; E477-Q481 WeakPolarHBondContact O-CG 3.37Å; E477-Q481 PolarHBondContact O-N 3.19Å |
| 478 | T | 88.4 | Confident | 88.9 | Confident | 63 Ų | 63 | 102.7 Ų | 102.7 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -34.9 | 171.6 | 61 | 0 | 0 | 0 | 0 | 113 | A474 Q475 Q481 K482 | A474-T478 WeakPolarHBondContact O-CG2 3.46Å; A474-T478 PolarHBondContact O-N 2.89Å; Q475-T478 PolarHBondContact O-N 3.48Å; Q475-T478 PolarHBondContact O-OG1 3.22Å; T478-Q481 PolarHBondContact O-N 3.29Å; T478-K482 WeakPolarHBondContact O-CG 3.39Å; T478-K482 PolarHBondContact O-N 3.05Å |
| 479 | Y | 90.6 | Very high | 89.2 | Confident | 133 Ų | 133 | 103.7 Ų | 103.7 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 173.6 | -73.8 | -53.1 | 0 | 0 | 0 | 112.1 | Q475 E476 E477 K482 L483 | Q475-Y479 HydrophobicContact CG-CD2 4Å; Q475-Y479 HydrophobicContact CG-CE2 3.5Å; Q475-Y479 VanDerWaalsContact CG-CE2 3.5Å; Q475-Y479 PolarHBondContact NE2-OH 2.87Å; Q475-Y479 VanDerWaalsContact NE2-OH 3.15Å; Q475-Y479 WeakPolarHBondContact O-CD2 3.39Å; Q475-Y479 PolarHBondContact O-N 3.42Å; E476-Y479 PolarHBondContact O-N 2.85Å; E477-Y479 VanDerWaalsContact C-N 3.35Å; E477-Y479 PolarHBondContact O-N 2.97Å; Y479-K482 PolarHBondContact O-N 3.49Å; Y479-L483 WeakPolarHBondContact O-CB 3.48Å; Y479-L483 PolarHBondContact O-N 2.97Å |
| 480 | R | 91.9 | Very high | 89.6 | Confident | 140 Ų | 140 | 103.7 Ų | 103.7 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 172.6 | -78.5 | -174.1 | 175.7 | 108.6 | 7.9 | 111.5 | E476 E477 L483 V484 | E476-R480 VanDerWaalsContact CD-CZ 3.42Å; E476-R480 VanDerWaalsContact CD-NH2 3.35Å; E476-R480 WeakPolarHBondContact O-CG 3.48Å; E476-R480 PolarHBondContact O-N 3.3Å; E476-R480 IonicContact OE1-CZ 3.64Å; E476-R480 IonicContact OE1-NH1 2.84Å; E476-R480 PolarHBondContact OE1-NH1 3.38Å; E476-R480 IonicContact OE1-NH2 3.68Å; E476-R480 PolarHBondContact OE1-NH2 3.43Å; E476-R480 IonicContact OE2-CZ 2.79Å; E476-R480 IonicContact OE2-NH1 2.8Å; E476-R480 PolarHBondContact OE2-NH1 2.86Å; E476-R480 IonicContact OE2-NH2 3.81Å; E477-R480 PolarHBondContact O-N 3.06Å; R480-L483 WeakPolarHBondContact O-CB 3.37Å; R480-L483 PolarHBondContact O-N 3.49Å; R480-V484 WeakPolarHBondContact O-CG2 3.47Å; R480-V484 PolarHBondContact O-N 3.07Å |
| 481 | Q | 90.3 | Very high | 90 | Very high | 112 Ų | 112 | 99.9 Ų | 99.9 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 176.2 | -73 | 170.9 | 5.4 | 0 | 0 | 111.5 | E477 T478 L483 V484 E485 | E477-Q481 WeakPolarHBondContact O-CG 3.37Å; E477-Q481 PolarHBondContact O-N 3.19Å; T478-Q481 PolarHBondContact O-N 3.29Å; Q481-L483 VanDerWaalsContact C-N 3.29Å; Q481-L483 PolarHBondContact O-N 3.49Å; Q481-V484 PolarHBondContact O-N 3.15Å; Q481-V484 VanDerWaalsContact O-N 3.15Å; Q481-E485 WeakPolarHBondContact O-CG 3.32Å; Q481-E485 PolarHBondContact O-N 3.39Å |
| 482 | K | 92.6 | Very high | 90.4 | Very high | 121 Ų | 121 | 99.5 Ų | 99.5 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 174.8 | -72.5 | 176.3 | -178.6 | 178.4 | 0 | 112.9 | T478 Y479 E485 V486 | T478-K482 WeakPolarHBondContact O-CG 3.39Å; T478-K482 PolarHBondContact O-N 3.05Å; Y479-K482 PolarHBondContact O-N 3.49Å; K482-E485 PolarHBondContact O-N 3.02Å; K482-V486 WeakPolarHBondContact O-CB 3.29Å; K482-V486 VanDerWaalsContact O-CG2 3.28Å; K482-V486 WeakPolarHBondContact O-CG2 3.44Å; K482-V486 PolarHBondContact O-N 3.02Å |
| 483 | L | 92 | Very high | 90.6 | Very high | 112 Ų | 112 | 98 Ų | 98 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 176.4 | -172.1 | 71.2 | 0 | 0 | 0 | 111 | Y479 R480 Q481 Q487 | Y479-L483 WeakPolarHBondContact O-CB 3.48Å; Y479-L483 PolarHBondContact O-N 2.97Å; R480-L483 WeakPolarHBondContact O-CB 3.37Å; R480-L483 PolarHBondContact O-N 3.49Å; Q481-L483 VanDerWaalsContact C-N 3.29Å; Q481-L483 PolarHBondContact O-N 3.49Å; L483-Q487 WeakPolarHBondContact O-CB 3.38Å; L483-Q487 PolarHBondContact O-N 3.48Å |
| 484 | V | 92.6 | Very high | 91 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 61% | 0.606 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | R480 Q481 Q487 A488 | R480-V484 WeakPolarHBondContact O-CG2 3.47Å; R480-V484 PolarHBondContact O-N 3.07Å; Q481-V484 PolarHBondContact O-N 3.15Å; Q481-V484 VanDerWaalsContact O-N 3.15Å; V484-Q487 PolarHBondContact O-N 3.16Å; V484-A488 WeakPolarHBondContact O-CB 3.41Å; V484-A488 PolarHBondContact O-N 3.41Å |
| 485 | E | 91.3 | Very high | 91.4 | Very high | 122 Ų | 122 | 104.3 Ų | 104.3 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -50.4 | 176 | -72 | 172.2 | 178.2 | 0 | 0 | 111.6 | Q481 K482 Q487 A488 E489 | Q481-E485 WeakPolarHBondContact O-CG 3.32Å; Q481-E485 PolarHBondContact O-N 3.39Å; K482-E485 PolarHBondContact O-N 3.02Å; E485-Q487 VanDerWaalsContact C-N 3.25Å; E485-Q487 PolarHBondContact O-N 2.99Å; E485-A488 PolarHBondContact O-N 2.84Å; E485-A488 VanDerWaalsContact O-N 3.16Å; E485-E489 WeakPolarHBondContact O-CG 3.47Å; E485-E489 PolarHBondContact O-N 3.38Å |
| 486 | V | 92.4 | Very high | 91.6 | Very high | 89 Ų | 89 | 103.4 Ų | 103.4 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | K482 E489 L490 | K482-V486 WeakPolarHBondContact O-CB 3.29Å; K482-V486 VanDerWaalsContact O-CG2 3.28Å; K482-V486 WeakPolarHBondContact O-CG2 3.44Å; K482-V486 PolarHBondContact O-N 3.02Å; V486-E489 PolarHBondContact O-N 3.21Å; V486-L490 WeakPolarHBondContact O-CB 3.23Å; V486-L490 PolarHBondContact O-N 3.29Å |
| 487 | Q | 91.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 105 Ų | 105 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 177.7 | -167.5 | 146 | 0.4 | 0 | 0 | 111.9 | L483 V484 E485 L490 E491 | L483-Q487 WeakPolarHBondContact O-CB 3.38Å; L483-Q487 PolarHBondContact O-N 3.48Å; V484-Q487 PolarHBondContact O-N 3.16Å; E485-Q487 VanDerWaalsContact C-N 3.25Å; E485-Q487 PolarHBondContact O-N 2.99Å; Q487-L490 PolarHBondContact O-N 3.35Å; Q487-E491 WeakPolarHBondContact O-CG 3.4Å; Q487-E491 PolarHBondContact O-N 2.82Å |
| 488 | A | 91.9 | Very high | 92.1 | Very high | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | V484 E485 L490 E491 E492 | V484-A488 WeakPolarHBondContact O-CB 3.41Å; V484-A488 PolarHBondContact O-N 3.41Å; E485-A488 PolarHBondContact O-N 2.84Å; E485-A488 VanDerWaalsContact O-N 3.16Å; A488-L490 VanDerWaalsContact C-N 3.34Å; A488-L490 PolarHBondContact O-N 2.88Å; A488-E491 PolarHBondContact O-N 3.41Å; A488-E492 PolarHBondContact O-N 3.49Å |
| 489 | E | 93.1 | Very high | 92.3 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 174.6 | -71.8 | 179.6 | 175.8 | 0 | 0 | 111.8 | E485 V486 E492 A493 | E485-E489 WeakPolarHBondContact O-CG 3.47Å; E485-E489 PolarHBondContact O-N 3.38Å; V486-E489 PolarHBondContact O-N 3.21Å; E489-E492 PolarHBondContact O-N 2.87Å; E489-A493 WeakPolarHBondContact O-CB 3.45Å; E489-A493 PolarHBondContact O-N 3.38Å |
| 490 | L | 93.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.7 | -179.7 | 64.8 | 0 | 0 | 0 | 111.5 | V486 Q487 A488 A493 Q494 | V486-L490 WeakPolarHBondContact O-CB 3.23Å; V486-L490 PolarHBondContact O-N 3.29Å; Q487-L490 PolarHBondContact O-N 3.35Å; A488-L490 VanDerWaalsContact C-N 3.34Å; A488-L490 PolarHBondContact O-N 2.88Å; L490-A493 PolarHBondContact O-N 2.87Å; L490-Q494 WeakPolarHBondContact O-CB 3.5Å; L490-Q494 VanDerWaalsContact O-CG 3.24Å; L490-Q494 WeakPolarHBondContact O-CG 3.27Å; L490-Q494 PolarHBondContact O-N 2.89Å |
| 491 | E | 93.8 | Very high | 92.3 | Very high | 85 Ų | 85 | 101.5 Ų | 101.5 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.8 | -74.9 | -177.4 | -166.9 | 0 | 0 | 112 | Q487 A488 Q494 R495 | Q487-E491 WeakPolarHBondContact O-CG 3.4Å; Q487-E491 PolarHBondContact O-N 2.82Å; A488-E491 PolarHBondContact O-N 3.41Å; E491-Q494 PolarHBondContact O-N 3.3Å; E491-R495 VanDerWaalsContact O-CG 3.3Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.35Å; E491-R495 IonicContact OE2-NH2 3.16Å; E491-R495 PolarHBondContact OE2-NH2 3.28Å |
| 492 | E | 93.4 | Very high | 92.3 | Very high | 130 Ų | 130 | 100 Ų | 100 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 176 | -173.5 | 170.1 | -169.8 | 0 | 0 | 111.5 | A488 E489 Q494 R495 S496 | A488-E492 PolarHBondContact O-N 3.49Å; E489-E492 PolarHBondContact O-N 2.87Å; E492-Q494 VanDerWaalsContact C-N 3.32Å; E492-Q494 PolarHBondContact O-N 3.15Å; E492-R495 PolarHBondContact O-N 2.77Å; E492-S496 WeakPolarHBondContact O-CB 3.49Å; E492-S496 PolarHBondContact O-N 3.11Å |
| 493 | A | 91.6 | Very high | 92.3 | Very high | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E489 L490 S496 K497 | E489-A493 WeakPolarHBondContact O-CB 3.45Å; E489-A493 PolarHBondContact O-N 3.38Å; L490-A493 PolarHBondContact O-N 2.87Å; A493-S496 PolarHBondContact O-N 2.83Å; A493-K497 VanDerWaalsContact O-CB 3.31Å; A493-K497 WeakPolarHBondContact O-CB 3.27Å; A493-K497 PolarHBondContact O-N 2.79Å |
| 494 | Q | 92.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.9 | -77.3 | 173 | -4.9 | 0 | 0 | 112.1 | L490 E491 E492 K497 N498 | L490-Q494 WeakPolarHBondContact O-CB 3.5Å; L490-Q494 VanDerWaalsContact O-CG 3.24Å; L490-Q494 WeakPolarHBondContact O-CG 3.27Å; L490-Q494 PolarHBondContact O-N 2.89Å; E491-Q494 PolarHBondContact O-N 3.3Å; E492-Q494 VanDerWaalsContact C-N 3.32Å; E492-Q494 PolarHBondContact O-N 3.15Å; Q494-K497 PolarHBondContact O-N 3.16Å; Q494-N498 WeakPolarHBondContact O-CB 3.45Å; Q494-N498 PolarHBondContact O-N 3.07Å; Q494-N498 PolarHBondContact O-ND2 3.37Å; Q494-N498 PolarHBondContact O-OD1 3.04Å |
| 495 | R | 92.9 | Very high | 92.3 | Very high | 150 Ų | 150 | 101.5 Ų | 101.5 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 175 | -70.9 | 176.9 | -143.9 | 138.2 | 3.8 | 111.4 | E491 E492 N498 S499 | E491-R495 VanDerWaalsContact O-CG 3.3Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.35Å; E491-R495 IonicContact OE2-NH2 3.16Å; E491-R495 PolarHBondContact OE2-NH2 3.28Å; E492-R495 PolarHBondContact O-N 2.77Å; R495-N498 PolarHBondContact O-N 3.36Å; R495-S499 PolarHBondContact O-N 3.49Å |
| 496 | S | 92.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 99.3 Ų | 99.3 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | E492 A493 N498 S499 L500 | E492-S496 WeakPolarHBondContact O-CB 3.49Å; E492-S496 PolarHBondContact O-N 3.11Å; A493-S496 PolarHBondContact O-N 2.83Å; S496-N498 PolarHBondContact O-N 3.47Å; S496-S499 WeakPolarHBondContact O-CB 3.33Å; S496-S499 PolarHBondContact O-N 3.36Å; S496-L500 WeakPolarHBondContact O-CG 3.33Å; S496-L500 PolarHBondContact O-N 3.29Å |
| 497 | K | 93.3 | Very high | 92.2 | Very high | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 175 | -179.8 | -178.9 | 169 | -177.3 | 0 | 111.8 | A493 Q494 S499 L500 E501 | A493-K497 VanDerWaalsContact O-CB 3.31Å; A493-K497 WeakPolarHBondContact O-CB 3.27Å; A493-K497 PolarHBondContact O-N 2.79Å; Q494-K497 PolarHBondContact O-N 3.16Å; K497-S499 VanDerWaalsContact C-N 3.32Å; K497-S499 PolarHBondContact O-N 3.47Å; K497-L500 PolarHBondContact O-N 3.3Å; K497-E501 WeakPolarHBondContact CE-OE1 3.44Å; K497-E501 HydrophobicContact CG-CG 4.46Å; K497-E501 IonicContact NZ-OE1 2.63Å; K497-E501 WeakPolarHBondContact O-CG 3.46Å; K497-E501 PolarHBondContact O-N 3.1Å |
| 498 | N | 92.5 | Very high | 92.2 | Very high | 89 Ų | 89 | 99 Ų | 99 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 179 | -68.5 | -11.8 | 0 | 0 | 0 | 111.5 | Q494 R495 S496 E501 T502 | Q494-N498 WeakPolarHBondContact O-CB 3.45Å; Q494-N498 PolarHBondContact O-N 3.07Å; Q494-N498 PolarHBondContact O-ND2 3.37Å; Q494-N498 PolarHBondContact O-OD1 3.04Å; R495-N498 PolarHBondContact O-N 3.36Å; S496-N498 PolarHBondContact O-N 3.47Å; N498-E501 PolarHBondContact O-N 3.03Å; N498-T502 WeakPolarHBondContact O-CG2 3.35Å; N498-T502 PolarHBondContact O-N 3.35Å; N498-T502 PolarHBondContact O-OG1 3.3Å |
| 499 | S | 92.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -48.5 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | R495 S496 K497 E501 T502 Q503 | R495-S499 PolarHBondContact O-N 3.49Å; S496-S499 WeakPolarHBondContact O-CB 3.33Å; S496-S499 PolarHBondContact O-N 3.36Å; K497-S499 VanDerWaalsContact C-N 3.32Å; K497-S499 PolarHBondContact O-N 3.47Å; S499-E501 PolarHBondContact O-N 3.45Å; S499-T502 PolarHBondContact O-N 3.36Å; S499-T502 PolarHBondContact O-OG1 2.93Å; S499-Q503 PolarHBondContact O-N 2.91Å |
| 500 | L | 91.4 | Very high | 92.1 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 176.2 | -72.7 | 172.6 | 0 | 0 | 0 | 112.3 | S496 K497 Q503 N504 | S496-L500 WeakPolarHBondContact O-CG 3.33Å; S496-L500 PolarHBondContact O-N 3.29Å; K497-L500 PolarHBondContact O-N 3.3Å; L500-Q503 PolarHBondContact O-N 3.26Å; L500-N504 VanDerWaalsContact O-CB 3.29Å; L500-N504 WeakPolarHBondContact O-CB 3.48Å; L500-N504 PolarHBondContact O-N 3.45Å |
| 501 | E | 91.3 | Very high | 92 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 175.8 | -75.7 | 179.5 | 176.6 | 0 | 0 | 112 | K497 N498 S499 N504 R505 | K497-E501 WeakPolarHBondContact CE-OE1 3.44Å; K497-E501 HydrophobicContact CG-CG 4.46Å; K497-E501 IonicContact NZ-OE1 2.63Å; K497-E501 WeakPolarHBondContact O-CG 3.46Å; K497-E501 PolarHBondContact O-N 3.1Å; N498-E501 PolarHBondContact O-N 3.03Å; S499-E501 PolarHBondContact O-N 3.45Å; E501-N504 PolarHBondContact O-N 3.22Å; E501-R505 WeakPolarHBondContact O-CB 3.4Å; E501-R505 PolarHBondContact O-N 2.91Å |
| 502 | T | 90.8 | Very high | 91.8 | Very high | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | N498 S499 R505 L506 | N498-T502 WeakPolarHBondContact O-CG2 3.35Å; N498-T502 PolarHBondContact O-N 3.35Å; N498-T502 PolarHBondContact O-OG1 3.3Å; S499-T502 PolarHBondContact O-N 3.36Å; S499-T502 PolarHBondContact O-OG1 2.93Å; T502-R505 PolarHBondContact O-N 3.32Å; T502-L506 PolarHBondContact O-N 3.28Å |
| 503 | Q | 92.8 | Very high | 91.8 | Very high | 97 Ų | 97 | 96.3 Ų | 96.3 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.8 | -170.7 | 64.2 | 21.5 | 0 | 0 | 111.3 | S499 L500 R505 L506 N507 | S499-Q503 PolarHBondContact O-N 2.91Å; L500-Q503 PolarHBondContact O-N 3.26Å; Q503-R505 VanDerWaalsContact C-N 3.35Å; Q503-R505 PolarHBondContact O-N 2.95Å; Q503-L506 PolarHBondContact O-N 2.92Å; Q503-N507 PolarHBondContact NE2-OD1 2.91Å; Q503-N507 WeakPolarHBondContact O-CB 3.5Å; Q503-N507 PolarHBondContact O-N 3.45Å; Q503-N507 PolarHBondContact O-OD1 3.45Å |
| 504 | N | 88.9 | Confident | 91.6 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 178.2 | -142.5 | -25.5 | 0 | 0 | 0 | 110.9 | L500 E501 L506 N507 Q508 | L500-N504 VanDerWaalsContact O-CB 3.29Å; L500-N504 WeakPolarHBondContact O-CB 3.48Å; L500-N504 PolarHBondContact O-N 3.45Å; E501-N504 PolarHBondContact O-N 3.22Å; N504-L506 PolarHBondContact O-N 3.46Å; N504-N507 PolarHBondContact O-N 3.33Å; N504-Q508 WeakPolarHBondContact O-CB 3.39Å; N504-Q508 PolarHBondContact O-N 2.74Å |
| 505 | R | 94.9 | Very high | 91.5 | Very high | 165 Ų | 165 | 102 Ų | 102 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 173.1 | -172.1 | -176 | 69.5 | 143.9 | 1.8 | 112 | E501 T502 Q503 Q508 Q509 | E501-R505 WeakPolarHBondContact O-CB 3.4Å; E501-R505 PolarHBondContact O-N 2.91Å; T502-R505 PolarHBondContact O-N 3.32Å; Q503-R505 VanDerWaalsContact C-N 3.35Å; Q503-R505 PolarHBondContact O-N 2.95Å; R505-Q508 WeakPolarHBondContact O-CB 3.49Å; R505-Q508 PolarHBondContact O-N 3.44Å; R505-Q509 WeakPolarHBondContact O-CG 3.35Å; R505-Q509 PolarHBondContact O-N 2.9Å |
| 506 | L | 91.6 | Very high | 91.2 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 40% | 0.398 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 177.7 | -174.5 | 67.4 | 0 | 0 | 0 | 111.3 | T502 Q503 N504 Q508 Q509 Q510 | T502-L506 PolarHBondContact O-N 3.28Å; Q503-L506 PolarHBondContact O-N 2.92Å; N504-L506 PolarHBondContact O-N 3.46Å; L506-Q508 VanDerWaalsContact C-N 3.31Å; L506-Q508 PolarHBondContact O-N 3.35Å; L506-Q509 WeakPolarHBondContact O-CB 3.28Å; L506-Q509 PolarHBondContact O-N 2.86Å; L506-Q510 WeakPolarHBondContact O-CG 3.4Å; L506-Q510 PolarHBondContact O-N 2.83Å |
| 507 | N | 89.3 | Confident | 91 | Very high | 61 Ų | 61 | 99.2 Ų | 99.2 | 33% | 0.326 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 174.8 | -69.3 | -9.1 | 0 | 0 | 0 | 111.1 | Q503 N504 Q509 Q510 I511 | Q503-N507 PolarHBondContact NE2-OD1 2.91Å; Q503-N507 WeakPolarHBondContact O-CB 3.5Å; Q503-N507 PolarHBondContact O-N 3.45Å; Q503-N507 PolarHBondContact O-OD1 3.45Å; N504-N507 PolarHBondContact O-N 3.33Å; N507-Q509 VanDerWaalsContact C-N 3.32Å; N507-Q509 PolarHBondContact O-N 3.29Å; N507-Q510 PolarHBondContact O-N 2.94Å; N507-I511 WeakPolarHBondContact O-CB 3.36Å; N507-I511 VanDerWaalsContact O-CG1 3.23Å; N507-I511 WeakPolarHBondContact O-CG1 3.35Å; N507-I511 PolarHBondContact O-N 3.37Å |
| 508 | Q | 92.1 | Very high | 90.7 | Very high | 124 Ų | 124 | 97.1 Ų | 97.1 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 175.8 | -157.5 | 89 | 11.7 | 0 | 0 | 111.4 | N504 R505 L506 I511 S512 | N504-Q508 WeakPolarHBondContact O-CB 3.39Å; N504-Q508 PolarHBondContact O-N 2.74Å; R505-Q508 WeakPolarHBondContact O-CB 3.49Å; R505-Q508 PolarHBondContact O-N 3.44Å; L506-Q508 VanDerWaalsContact C-N 3.31Å; L506-Q508 PolarHBondContact O-N 3.35Å; Q508-I511 PolarHBondContact O-N 2.89Å; Q508-S512 WeakPolarHBondContact O-CB 3.48Å; Q508-S512 PolarHBondContact O-N 3.35Å; Q508-S512 PolarHBondContact O-OG 3.46Å |
| 509 | Q | 91.6 | Very high | 90.5 | Very high | 84 Ų | 84 | 98.1 Ų | 98.1 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -49.1 | 174.7 | -74.9 | 175.1 | -18.8 | 0 | 0 | 111.1 | R505 L506 N507 I511 S512 E513 | R505-Q509 WeakPolarHBondContact O-CG 3.35Å; R505-Q509 PolarHBondContact O-N 2.9Å; L506-Q509 WeakPolarHBondContact O-CB 3.28Å; L506-Q509 PolarHBondContact O-N 2.86Å; N507-Q509 VanDerWaalsContact C-N 3.32Å; N507-Q509 PolarHBondContact O-N 3.29Å; Q509-I511 VanDerWaalsContact C-N 3.32Å; Q509-I511 PolarHBondContact O-N 3.48Å; Q509-S512 WeakPolarHBondContact CA-OG 3.22Å; Q509-S512 CarbonylContact O-C 3.57Å; Q509-S512 WeakPolarHBondContact O-CA 3.31Å; Q509-S512 PolarHBondContact O-N 2.89Å; Q509-S512 PolarHBondContact O-OG 3.4Å; Q509-E513 WeakPolarHBondContact O-CG 3.47Å; Q509-E513 PolarHBondContact O-N 2.97Å |
| 510 | Q | 91.9 | Very high | 90.2 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 175.9 | -71.9 | 179.8 | -21.1 | 0 | 0 | 112.3 | L506 N507 S512 E513 L514 | L506-Q510 WeakPolarHBondContact O-CG 3.4Å; L506-Q510 PolarHBondContact O-N 2.83Å; N507-Q510 PolarHBondContact O-N 2.94Å; Q510-S512 VanDerWaalsContact C-N 3.32Å; Q510-S512 PolarHBondContact O-N 3.29Å; Q510-E513 PolarHBondContact O-N 2.87Å; Q510-L514 WeakPolarHBondContact O-CB 3.37Å; Q510-L514 VanDerWaalsContact O-CG 3.27Å; Q510-L514 WeakPolarHBondContact O-CG 3.45Å; Q510-L514 PolarHBondContact O-N 2.87Å |
| 511 | I | 90.9 | Very high | 89.7 | Confident | 76 Ų | 76 | 101 Ų | 101 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.7 | -70.3 | 166.7 | 0 | 0 | 0 | 110.5 | N507 Q508 Q509 R515 | N507-I511 WeakPolarHBondContact O-CB 3.36Å; N507-I511 VanDerWaalsContact O-CG1 3.23Å; N507-I511 WeakPolarHBondContact O-CG1 3.35Å; N507-I511 PolarHBondContact O-N 3.37Å; Q508-I511 PolarHBondContact O-N 2.89Å; Q509-I511 VanDerWaalsContact C-N 3.32Å; Q509-I511 PolarHBondContact O-N 3.48Å; I511-R515 HydrophobicContact CG2-CG 4.38Å; I511-R515 WeakPolarHBondContact O-CB 3.43Å; I511-R515 WeakPolarHBondContact O-CG 3.5Å; I511-R515 PolarHBondContact O-N 3.4Å |
| 512 | S | 89.9 | Confident | 89.2 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 177.2 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | Q508 Q509 Q510 R515 S516 | Q508-S512 WeakPolarHBondContact O-CB 3.48Å; Q508-S512 PolarHBondContact O-N 3.35Å; Q508-S512 PolarHBondContact O-OG 3.46Å; Q509-S512 WeakPolarHBondContact CA-OG 3.22Å; Q509-S512 CarbonylContact O-C 3.57Å; Q509-S512 WeakPolarHBondContact O-CA 3.31Å; Q509-S512 PolarHBondContact O-N 2.89Å; Q509-S512 PolarHBondContact O-OG 3.4Å; Q510-S512 VanDerWaalsContact C-N 3.32Å; Q510-S512 PolarHBondContact O-N 3.29Å; S512-R515 PolarHBondContact O-N 2.87Å; S512-S516 WeakPolarHBondContact O-CB 3.42Å; S512-S516 PolarHBondContact O-N 3.14Å |
| 513 | E | 91.9 | Very high | 88.7 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -47 | 174.8 | -74 | 173.1 | -177.5 | 0 | 0 | 111 | Q509 Q510 R515 S516 Q517 | Q509-E513 WeakPolarHBondContact O-CG 3.47Å; Q509-E513 PolarHBondContact O-N 2.97Å; Q510-E513 PolarHBondContact O-N 2.87Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.24Å; E513-S516 WeakPolarHBondContact O-CB 3.3Å; E513-S516 PolarHBondContact O-N 3.02Å; E513-Q517 WeakPolarHBondContact O-CG 3.32Å; E513-Q517 PolarHBondContact O-N 3.32Å |
| 514 | L | 89.3 | Confident | 87.9 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.3 | -72 | 172 | 0 | 0 | 0 | 111.6 | Q510 Q517 V518 | Q510-L514 WeakPolarHBondContact O-CB 3.37Å; Q510-L514 VanDerWaalsContact O-CG 3.27Å; Q510-L514 WeakPolarHBondContact O-CG 3.45Å; Q510-L514 PolarHBondContact O-N 2.87Å; L514-Q517 PolarHBondContact O-N 2.9Å; L514-V518 WeakPolarHBondContact O-CB 3.25Å; L514-V518 VanDerWaalsContact O-CG2 3.27Å; L514-V518 WeakPolarHBondContact O-CG2 3.49Å; L514-V518 PolarHBondContact O-N 3.09Å |
| 515 | R | 90.1 | Very high | 87 | Confident | 174 Ų | 174 | 101.3 Ų | 101.3 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 173.6 | -76.9 | 174.7 | -175.8 | -163.3 | 2.7 | 111.9 | I511 S512 E513 V518 E519 | I511-R515 HydrophobicContact CG2-CG 4.38Å; I511-R515 WeakPolarHBondContact O-CB 3.43Å; I511-R515 WeakPolarHBondContact O-CG 3.5Å; I511-R515 PolarHBondContact O-N 3.4Å; S512-R515 PolarHBondContact O-N 2.87Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.24Å; R515-V518 PolarHBondContact O-N 3.04Å; R515-E519 WeakPolarHBondContact O-CB 3.39Å; R515-E519 PolarHBondContact O-N 3.42Å |
| 516 | S | 86.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 100 Ų | 100 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 174.9 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | S512 E513 V518 E519 E520 | S512-S516 WeakPolarHBondContact O-CB 3.42Å; S512-S516 PolarHBondContact O-N 3.14Å; E513-S516 WeakPolarHBondContact O-CB 3.3Å; E513-S516 PolarHBondContact O-N 3.02Å; S516-V518 VanDerWaalsContact C-N 3.35Å; S516-V518 PolarHBondContact O-N 3.39Å; S516-E519 PolarHBondContact O-N 3.14Å; S516-E520 WeakPolarHBondContact O-CB 3.39Å; S516-E520 WeakPolarHBondContact O-CG 3.47Å; S516-E520 PolarHBondContact O-N 3.47Å |
| 517 | Q | 88.3 | Confident | 84.3 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.7 | -70.9 | 173 | 21.1 | 0 | 0 | 111.6 | E513 L514 E520 L521 | E513-Q517 WeakPolarHBondContact O-CG 3.32Å; E513-Q517 PolarHBondContact O-N 3.32Å; L514-Q517 PolarHBondContact O-N 2.9Å; Q517-E520 PolarHBondContact O-N 2.93Å; Q517-L521 WeakPolarHBondContact O-CB 3.42Å; Q517-L521 VanDerWaalsContact O-CG 3.23Å; Q517-L521 WeakPolarHBondContact O-CG 3.49Å; Q517-L521 PolarHBondContact O-N 2.97Å |
| 518 | V | 85.6 | Confident | 82.4 | Confident | 77 Ų | 77 | 106.1 Ų | 106.1 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L514 R515 S516 L521 Q522 | L514-V518 WeakPolarHBondContact O-CB 3.25Å; L514-V518 VanDerWaalsContact O-CG2 3.27Å; L514-V518 WeakPolarHBondContact O-CG2 3.49Å; L514-V518 PolarHBondContact O-N 3.09Å; R515-V518 PolarHBondContact O-N 3.04Å; S516-V518 VanDerWaalsContact C-N 3.35Å; S516-V518 PolarHBondContact O-N 3.39Å; V518-L521 PolarHBondContact O-N 2.62Å; V518-Q522 HydrophobicContact CG1-CG 4.38Å; V518-Q522 WeakPolarHBondContact O-CB 3.45Å; V518-Q522 WeakPolarHBondContact O-CG 3.47Å; V518-Q522 PolarHBondContact O-N 3.36Å |
| 519 | E | 88.2 | Confident | 80.1 | Confident | 110 Ų | 110 | 105.2 Ų | 105.2 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 174.5 | -85.9 | -172.3 | -172.9 | 0 | 0 | 112.5 | R515 S516 Q522 K523 | R515-E519 WeakPolarHBondContact O-CB 3.39Å; R515-E519 PolarHBondContact O-N 3.42Å; S516-E519 PolarHBondContact O-N 3.14Å; E519-Q522 PolarHBondContact O-N 3.12Å; E519-K523 VanDerWaalsContact O-CB 3.29Å; E519-K523 WeakPolarHBondContact O-CB 3.34Å; E519-K523 WeakPolarHBondContact O-CG 3.19Å; E519-K523 PolarHBondContact O-N 3.06Å |
| 520 | E | 85.9 | Confident | 78.1 | Confident | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 173.7 | -79.3 | 177.8 | -172.4 | 0 | 0 | 111.2 | S516 Q517 K523 A524 | S516-E520 WeakPolarHBondContact O-CB 3.39Å; S516-E520 WeakPolarHBondContact O-CG 3.47Å; S516-E520 PolarHBondContact O-N 3.47Å; Q517-E520 PolarHBondContact O-N 2.93Å; E520-K523 PolarHBondContact O-N 2.89Å; E520-A524 VanDerWaalsContact O-CB 3.29Å; E520-A524 WeakPolarHBondContact O-CB 3.32Å; E520-A524 PolarHBondContact O-N 2.93Å |
| 521 | L | 81.9 | Confident | 76.2 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -40.5 | 174.5 | -71.4 | 171.1 | 0 | 0 | 0 | 111.9 | Q517 V518 A524 L525 | Q517-L521 WeakPolarHBondContact O-CB 3.42Å; Q517-L521 VanDerWaalsContact O-CG 3.23Å; Q517-L521 WeakPolarHBondContact O-CG 3.49Å; Q517-L521 PolarHBondContact O-N 2.97Å; V518-L521 PolarHBondContact O-N 2.62Å; L521-A524 PolarHBondContact O-N 3.39Å; L521-L525 WeakPolarHBondContact O-CB 3.48Å; L521-L525 PolarHBondContact O-N 3.16Å |
| 522 | Q | 81.5 | Confident | 74.1 | Confident | 113 Ų | 113 | 111.1 Ų | 111.1 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 174.9 | -78.9 | 179.8 | -13.9 | 0 | 0 | 112.1 | V518 E519 L525 Q526 | V518-Q522 HydrophobicContact CG1-CG 4.38Å; V518-Q522 WeakPolarHBondContact O-CB 3.45Å; V518-Q522 WeakPolarHBondContact O-CG 3.47Å; V518-Q522 PolarHBondContact O-N 3.36Å; E519-Q522 PolarHBondContact O-N 3.12Å; Q522-L525 PolarHBondContact O-N 3.23Å; Q522-Q526 WeakPolarHBondContact O-CB 3.46Å; Q522-Q526 PolarHBondContact O-N 2.86Å |
| 523 | K | 79.9 | Confident | 72.2 | Confident | 118 Ų | 118 | 115.8 Ų | 115.8 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.1 | -39.9 | 173 | -80.3 | 174.7 | -178.5 | 163.4 | 0 | 111.6 | E519 E520 L525 Q526 Q527 | E519-K523 VanDerWaalsContact O-CB 3.29Å; E519-K523 WeakPolarHBondContact O-CB 3.34Å; E519-K523 WeakPolarHBondContact O-CG 3.19Å; E519-K523 PolarHBondContact O-N 3.06Å; E520-K523 PolarHBondContact O-N 2.89Å; K523-L525 VanDerWaalsContact C-N 3.28Å; K523-L525 PolarHBondContact O-N 2.73Å; K523-Q526 PolarHBondContact O-N 2.95Å; K523-Q527 VanDerWaalsContact O-CB 3.24Å; K523-Q527 WeakPolarHBondContact O-CB 3.42Å; K523-Q527 WeakPolarHBondContact O-CG 3.33Å; K523-Q527 PolarHBondContact O-N 3.37Å |
| 524 | A | 75.1 | Confident | 70.4 | Confident | 53 Ų | 53 | 114.6 Ų | 114.6 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.3 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E520 L521 Q528 | E520-A524 VanDerWaalsContact O-CB 3.29Å; E520-A524 WeakPolarHBondContact O-CB 3.32Å; E520-A524 PolarHBondContact O-N 2.93Å; L521-A524 PolarHBondContact O-N 3.39Å; A524-Q528 PolarHBondContact O-N 3.46Å; A524-Q528 VanDerWaalsContact O-N 3.08Å |
| 525 | L | 70.9 | Confident | 68.5 | Low | 105 Ų | 105 | 111.8 Ų | 111.8 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.9 | -43.8 | 176 | -162.7 | 69.3 | 0 | 0 | 0 | 112.3 | L521 Q522 K523 Q528 D529 | L521-L525 WeakPolarHBondContact O-CB 3.48Å; L521-L525 PolarHBondContact O-N 3.16Å; Q522-L525 PolarHBondContact O-N 3.23Å; K523-L525 VanDerWaalsContact C-N 3.28Å; K523-L525 PolarHBondContact O-N 2.73Å; L525-Q528 WeakPolarHBondContact O-CB 3.43Å; L525-Q528 PolarHBondContact O-N 3.21Å; L525-Q528 VanDerWaalsContact O-N 3.16Å; L525-D529 PolarHBondContact O-N 3.45Å |
| 526 | Q | 68.3 | Low | 66.9 | Low | 136 Ų | 136 | 107.2 Ų | 107.2 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.8 | -30.5 | 175.1 | -96.6 | 173.4 | -21 | 0 | 0 | 113.6 | Q522 K523 Q528 D529 S530 | Q522-Q526 WeakPolarHBondContact O-CB 3.46Å; Q522-Q526 PolarHBondContact O-N 2.86Å; K523-Q526 PolarHBondContact O-N 2.95Å; Q526-Q528 VanDerWaalsContact C-N 3.29Å; Q526-D529 PolarHBondContact O-N 2.91Å; Q526-S530 PolarHBondContact O-N 2.87Å; Q526-S530 PolarHBondContact O-OG 2.87Å |
| 527 | Q | 60.3 | Low | 65.4 | Low | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.5 | -24.8 | 170.7 | -75.4 | -179.5 | 8.3 | 0 | 0 | 112.2 | K523 | K523-Q527 VanDerWaalsContact O-CB 3.24Å; K523-Q527 WeakPolarHBondContact O-CB 3.42Å; K523-Q527 WeakPolarHBondContact O-CG 3.33Å; K523-Q527 PolarHBondContact O-N 3.37Å |
| 528 | Q | 49.8 | Very low | 63.9 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.3 | -38.4 | 167 | -89.2 | -159.3 | -33.1 | 0 | 0 | 112.5 | A524 L525 Q526 | A524-Q528 PolarHBondContact O-N 3.46Å; A524-Q528 VanDerWaalsContact O-N 3.08Å; L525-Q528 WeakPolarHBondContact O-CB 3.43Å; L525-Q528 PolarHBondContact O-N 3.21Å; L525-Q528 VanDerWaalsContact O-N 3.16Å; Q526-Q528 VanDerWaalsContact C-N 3.29Å |
| 529 | D | 44.6 | Very low | 62.9 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.1 | -21.9 | 179.4 | -82 | -23.3 | 0 | 0 | 0 | 114.1 | L525 Q526 H532 | L525-D529 PolarHBondContact O-N 3.45Å; Q526-D529 PolarHBondContact O-N 2.91Å; D529-H532 PolarHBondContact O-CD2 3.19Å |
| 530 | S | 49.8 | Very low | 62 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -1.7 | 179.5 | 51 | 0 | 0 | 0 | 0 | 115.1 | Q526 | Q526-S530 PolarHBondContact O-N 2.87Å; Q526-S530 PolarHBondContact O-OG 2.87Å |
| 531 | K | 50.6 | Low | 61.3 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.609 | 57% | 0.566 | S | S | * | * | trans | -105.8 | 63.1 | 169.8 | -70.2 | -177.7 | 178.5 | 180 | 0 | 110.4 | E533 D534 | K531-E533 PolarHBondContact O-N 3.37Å; K531-E533 VanDerWaalsContact O-N 3.07Å; K531-D534 PolarHBondContact O-N 3.44Å | ||
| 532 | H | 48.1 | Very low | 60.7 | Low | 147 Ų | 147 | 111.8 Ų | 111.8 | 68% | 0.681 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 5.7 | -168.4 | -135.4 | -65.3 | 0 | 0 | 0 | 115.7 | D529 | D529-H532 PolarHBondContact O-CD2 3.19Š|
| 533 | E | 49.3 | Very low | 60.3 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 78% | 0.776 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -35.3 | 168.5 | -80.4 | -87.7 | 148.2 | 0 | 0 | 111.9 | K531 S536 | K531-E533 PolarHBondContact O-N 3.37Å; K531-E533 VanDerWaalsContact O-N 3.07Å; E533-S536 PolarHBondContact O-OG 2.87Å; E533-S536 VanDerWaalsContact O-OG 3.07Å |
| 534 | D | 53.9 | Low | 60.2 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -82 | -17.5 | -179.9 | -73.8 | -32.6 | 0 | 0 | 0 | 113.6 | K531 S536 L537 L538 | K531-D534 PolarHBondContact O-N 3.44Å; D534-S536 VanDerWaalsContact C-N 3.29Å; D534-S536 PolarHBondContact O-N 2.87Å; D534-L537 PolarHBondContact O-N 3.16Å; D534-L538 WeakPolarHBondContact O-CB 3.39Å; D534-L538 PolarHBondContact O-N 3.35Å |
| 535 | S | 50.5 | Low | 60.1 | Low | 41 Ų | 41 | 113.9 Ų | 113.9 | 29% | 0.287 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -29 | 176.8 | -175 | 0 | 0 | 0 | 0 | 112.7 | K539 | S535-K539 WeakPolarHBondContact O-CB 3.46Å; S535-K539 PolarHBondContact O-N 3.13Å |
| 536 | S | 54.7 | Low | 60.6 | Low | 79 Ų | 79 | 113.1 Ų | 113.1 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.2 | -42.3 | 174.9 | 73 | 0 | 0 | 0 | 0 | 111.9 | E533 D534 K540 | E533-S536 PolarHBondContact O-OG 2.87Å; E533-S536 VanDerWaalsContact O-OG 3.07Å; D534-S536 VanDerWaalsContact C-N 3.29Å; D534-S536 PolarHBondContact O-N 2.87Å; S536-K540 VanDerWaalsContact O-CB 3.29Å; S536-K540 WeakPolarHBondContact O-CB 3.45Å; S536-K540 PolarHBondContact O-N 3.43Å |
| 537 | L | 57.2 | Low | 61.3 | Low | 98 Ų | 98 | 112.4 Ų | 112.4 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.7 | -35.9 | 177.4 | -95 | 155.6 | 0 | 0 | 0 | 112.4 | D534 K541 | D534-L537 PolarHBondContact O-N 3.16Å; L537-K541 VanDerWaalsContact O-CB 3.32Å; L537-K541 WeakPolarHBondContact O-CB 3.35Å; L537-K541 VanDerWaalsContact O-CG 3.28Å; L537-K541 WeakPolarHBondContact O-CG 3.35Å; L537-K541 PolarHBondContact O-N 3.12Å |
| 538 | L | 56.3 | Low | 62.4 | Low | 105 Ų | 105 | 111.3 Ų | 111.3 | 55% | 0.55 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -73.7 | -38.6 | 175 | -95.7 | 147.1 | 0 | 0 | 0 | 112.7 | D534 K541 L542 | D534-L538 WeakPolarHBondContact O-CB 3.39Å; D534-L538 PolarHBondContact O-N 3.35Å; L538-K541 PolarHBondContact O-N 3.49Å; L538-L542 VanDerWaalsContact O-CB 3.26Å; L538-L542 WeakPolarHBondContact O-CB 3.48Å; L538-L542 PolarHBondContact O-N 2.82Å |
| 539 | K | 63.1 | Low | 64 | Low | 140 Ų | 140 | 109.4 Ų | 109.4 | 61% | 0.609 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 169.6 | -88.8 | -176.6 | 174.2 | 177.5 | 0 | 111.5 | S535 K541 L542 E543 | S535-K539 WeakPolarHBondContact O-CB 3.46Å; S535-K539 PolarHBondContact O-N 3.13Å; K539-K541 PolarHBondContact O-N 3.17Å; K539-L542 PolarHBondContact O-N 3.4Å; K539-E543 WeakPolarHBondContact O-CB 3.5Å; K539-E543 PolarHBondContact O-N 2.93Å |
| 540 | K | 70.9 | Confident | 65.7 | Low | 130 Ų | 130 | 109.5 Ų | 109.5 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 176.7 | -157.6 | 176.6 | -174.2 | -177.7 | 0 | 112.1 | S536 E544 | S536-K540 VanDerWaalsContact O-CB 3.29Å; S536-K540 WeakPolarHBondContact O-CB 3.45Å; S536-K540 PolarHBondContact O-N 3.43Å; K540-E544 WeakPolarHBondContact O-CB 3.27Å; K540-E544 WeakPolarHBondContact O-CG 3.35Å; K540-E544 PolarHBondContact O-N 2.88Å |
| 541 | K | 69.6 | Low | 67.4 | Low | 114 Ų | 114 | 110.1 Ų | 110.1 | 50% | 0.496 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 173 | -79 | 178 | 178.2 | 178.7 | 0 | 112.6 | L537 L538 K539 E544 H545 | L537-K541 VanDerWaalsContact O-CB 3.32Å; L537-K541 WeakPolarHBondContact O-CB 3.35Å; L537-K541 VanDerWaalsContact O-CG 3.28Å; L537-K541 WeakPolarHBondContact O-CG 3.35Å; L537-K541 PolarHBondContact O-N 3.12Å; L538-K541 PolarHBondContact O-N 3.49Å; K539-K541 PolarHBondContact O-N 3.17Å; K541-E544 PolarHBondContact O-N 3.23Å; K541-H545 VanDerWaalsContact O-CB 3.32Å; K541-H545 WeakPolarHBondContact O-CB 3.49Å; K541-H545 PolarHBondContact O-CD2 3.4Å; K541-H545 VanDerWaalsContact O-CG 3.32Å; K541-H545 PolarHBondContact O-N 3.34Å |
| 542 | L | 69.4 | Low | 68.7 | Low | 107 Ų | 107 | 105.6 Ų | 105.6 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -39.3 | 176.4 | -170.7 | 68.6 | 0 | 0 | 0 | 111.1 | L538 K539 H545 L546 | L538-L542 VanDerWaalsContact O-CB 3.26Å; L538-L542 WeakPolarHBondContact O-CB 3.48Å; L538-L542 PolarHBondContact O-N 2.82Å; K539-L542 PolarHBondContact O-N 3.4Å; L542-H545 PolarHBondContact O-N 2.9Å; L542-L546 HydrophobicContact CG-CD1 4.38Å; L542-L546 WeakPolarHBondContact O-CB 3.47Å; L542-L546 VanDerWaalsContact O-CG 3.3Å; L542-L546 WeakPolarHBondContact O-CG 3.43Å; L542-L546 PolarHBondContact O-N 3.25Å |
| 543 | E | 74 | Confident | 70.3 | Confident | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 169.3 | -85.3 | 170.2 | 167.4 | 0 | 0 | 111.1 | K539 H545 L546 E547 | K539-E543 WeakPolarHBondContact O-CB 3.5Å; K539-E543 PolarHBondContact O-N 2.93Å; E543-H545 VanDerWaalsContact C-N 3.29Å; E543-H545 PolarHBondContact O-N 2.96Å; E543-L546 PolarHBondContact O-N 3.41Å; E543-E547 VanDerWaalsContact O-CB 3.26Å; E543-E547 WeakPolarHBondContact O-CB 3.28Å; E543-E547 PolarHBondContact O-N 3.13Å |
| 544 | E | 76.8 | Confident | 72.1 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 38% | 0.379 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 173.8 | -79.1 | 176.8 | -164.7 | 0 | 0 | 112.4 | K540 K541 K548 | K540-E544 WeakPolarHBondContact O-CB 3.27Å; K540-E544 WeakPolarHBondContact O-CG 3.35Å; K540-E544 PolarHBondContact O-N 2.88Å; K541-E544 PolarHBondContact O-N 3.23Å; E544-K548 VanDerWaalsContact O-CB 3.22Å; E544-K548 WeakPolarHBondContact O-CB 3.36Å; E544-K548 WeakPolarHBondContact O-CD 3.48Å; E544-K548 WeakPolarHBondContact O-CG 3.29Å; E544-K548 PolarHBondContact O-N 3.45Å |
| 545 | H | 75 | Confident | 73.5 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.5 | -35.6 | 176.6 | -80.1 | -60.5 | 0 | 0 | 0 | 112.2 | K541 L542 E543 L549 | K541-H545 VanDerWaalsContact O-CB 3.32Å; K541-H545 WeakPolarHBondContact O-CB 3.49Å; K541-H545 PolarHBondContact O-CD2 3.4Å; K541-H545 VanDerWaalsContact O-CG 3.32Å; K541-H545 PolarHBondContact O-N 3.34Å; L542-H545 PolarHBondContact O-N 2.9Å; E543-H545 VanDerWaalsContact C-N 3.29Å; E543-H545 PolarHBondContact O-N 2.96Å; H545-L549 WeakPolarHBondContact O-CB 3.4Å; H545-L549 PolarHBondContact O-N 3.34Å |
| 546 | L | 80.1 | Confident | 74.9 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 172.5 | -77.1 | 168.4 | 0 | 0 | 0 | 111.3 | L542 E543 L549 N550 | L542-L546 HydrophobicContact CG-CD1 4.38Å; L542-L546 WeakPolarHBondContact O-CB 3.47Å; L542-L546 VanDerWaalsContact O-CG 3.3Å; L542-L546 WeakPolarHBondContact O-CG 3.43Å; L542-L546 PolarHBondContact O-N 3.25Å; E543-L546 PolarHBondContact O-N 3.41Å; L546-L549 PolarHBondContact O-N 3.49Å; L546-N550 WeakPolarHBondContact O-CB 3.35Å; L546-N550 VanDerWaalsContact O-CG 3.25Å; L546-N550 PolarHBondContact O-N 2.85Å; L546-N550 PolarHBondContact O-ND2 3.48Å |
| 547 | E | 83.2 | Confident | 76.2 | Confident | 121 Ų | 121 | 105.4 Ų | 105.4 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -46.6 | 174.6 | -166.1 | 164.3 | -147.1 | 0 | 0 | 110.4 | E543 L549 N550 E551 | E543-E547 VanDerWaalsContact O-CB 3.26Å; E543-E547 WeakPolarHBondContact O-CB 3.28Å; E543-E547 PolarHBondContact O-N 3.13Å; E547-L549 VanDerWaalsContact C-N 3.29Å; E547-L549 PolarHBondContact O-N 3.43Å; E547-N550 CarbonylContact O-C 3.39Å; E547-N550 PolarHBondContact O-N 3.48Å; E547-N550 VanDerWaalsContact O-N 3.13Å; E547-E551 WeakPolarHBondContact O-CB 3.39Å; E547-E551 WeakPolarHBondContact O-CG 3.36Å; E547-E551 PolarHBondContact O-N 3.11Å |
| 548 | K | 82.7 | Confident | 77.5 | Confident | 113 Ų | 113 | 106.2 Ų | 106.2 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -33.5 | 172.5 | -75.6 | 168.2 | -174.8 | 163.6 | 0 | 113.2 | E544 A552 | E544-K548 VanDerWaalsContact O-CB 3.22Å; E544-K548 WeakPolarHBondContact O-CB 3.36Å; E544-K548 WeakPolarHBondContact O-CD 3.48Å; E544-K548 WeakPolarHBondContact O-CG 3.29Å; E544-K548 PolarHBondContact O-N 3.45Å; K548-A552 WeakPolarHBondContact O-CB 3.42Å; K548-A552 PolarHBondContact O-N 3.03Å |
| 549 | L | 83.7 | Confident | 78.6 | Confident | 89 Ų | 89 | 107.5 Ų | 107.5 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 174.8 | -173.7 | 66.7 | 0 | 0 | 0 | 111 | H545 L546 E547 A552 H553 | H545-L549 WeakPolarHBondContact O-CB 3.4Å; H545-L549 PolarHBondContact O-N 3.34Å; L546-L549 PolarHBondContact O-N 3.49Å; E547-L549 VanDerWaalsContact C-N 3.29Å; E547-L549 PolarHBondContact O-N 3.43Å; L549-A552 PolarHBondContact O-N 2.91Å; L549-H553 WeakPolarHBondContact O-CB 3.46Å; L549-H553 PolarHBondContact O-CD2 2.84Å; L549-H553 PolarHBondContact O-N 3.46Å |
| 550 | N | 80.5 | Confident | 79.2 | Confident | 108 Ų | 108 | 109.8 Ų | 109.8 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.6 | -38.8 | 175 | -76 | -31.5 | 0 | 0 | 0 | 112.1 | L546 E547 H553 S554 | L546-N550 WeakPolarHBondContact O-CB 3.35Å; L546-N550 VanDerWaalsContact O-CG 3.25Å; L546-N550 PolarHBondContact O-N 2.85Å; L546-N550 PolarHBondContact O-ND2 3.48Å; E547-N550 CarbonylContact O-C 3.39Å; E547-N550 PolarHBondContact O-N 3.48Å; E547-N550 VanDerWaalsContact O-N 3.13Å; N550-H553 PolarHBondContact O-N 3.04Å; N550-S554 WeakPolarHBondContact O-CB 3.44Å; N550-S554 PolarHBondContact O-N 3.35Å |
| 551 | E | 85.3 | Confident | 79.5 | Confident | 105 Ų | 105 | 108.5 Ų | 108.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 171.2 | -74.8 | 177.4 | 167.3 | 0 | 0 | 110.4 | E547 H553 S554 D555 | E547-E551 WeakPolarHBondContact O-CB 3.39Å; E547-E551 WeakPolarHBondContact O-CG 3.36Å; E547-E551 PolarHBondContact O-N 3.11Å; E551-H553 VanDerWaalsContact C-N 3.31Å; E551-H553 PolarHBondContact O-N 3.28Å; E551-S554 CarbonylContact O-C 3.47Å; E551-S554 WeakPolarHBondContact O-CB 3.5Å; E551-S554 PolarHBondContact O-N 3.46Å; E551-S554 VanDerWaalsContact O-N 3.16Å; E551-D555 VanDerWaalsContact O-CB 3.31Å; E551-D555 WeakPolarHBondContact O-CB 3.47Å; E551-D555 PolarHBondContact O-N 2.67Å |
| 552 | A | 79.2 | Confident | 79.8 | Confident | 45 Ų | 45 | 106.6 Ų | 106.6 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K548 L549 L556 | K548-A552 WeakPolarHBondContact O-CB 3.42Å; K548-A552 PolarHBondContact O-N 3.03Å; L549-A552 PolarHBondContact O-N 2.91Å; A552-L556 VanDerWaalsContact O-CB 3.23Å; A552-L556 WeakPolarHBondContact O-CB 3.33Å; A552-L556 VanDerWaalsContact O-CG 3.23Å; A552-L556 WeakPolarHBondContact O-CG 3.44Å; A552-L556 PolarHBondContact O-N 3.44Å |
| 553 | H | 81.4 | Confident | 79.7 | Confident | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 173 | -81.1 | -31.8 | 0 | 0 | 0 | 112.7 | L549 N550 E551 R557 | L549-H553 WeakPolarHBondContact O-CB 3.46Å; L549-H553 PolarHBondContact O-CD2 2.84Å; L549-H553 PolarHBondContact O-N 3.46Å; N550-H553 PolarHBondContact O-N 3.04Å; E551-H553 VanDerWaalsContact C-N 3.31Å; E551-H553 PolarHBondContact O-N 3.28Å; H553-R557 VanDerWaalsContact O-CB 3.3Å; H553-R557 WeakPolarHBondContact O-CB 3.23Å; H553-R557 PolarHBondContact O-N 3.22Å |
| 554 | S | 87.1 | Confident | 79.6 | Confident | 52 Ų | 52 | 104.2 Ų | 104.2 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.2 | -170.1 | 0 | 0 | 0 | 0 | 111 | N550 E551 R557 K558 | N550-S554 WeakPolarHBondContact O-CB 3.44Å; N550-S554 PolarHBondContact O-N 3.35Å; E551-S554 CarbonylContact O-C 3.47Å; E551-S554 WeakPolarHBondContact O-CB 3.5Å; E551-S554 PolarHBondContact O-N 3.46Å; E551-S554 VanDerWaalsContact O-N 3.16Å; S554-R557 WeakPolarHBondContact O-CB 3.38Å; S554-R557 PolarHBondContact O-N 2.85Å; S554-K558 WeakPolarHBondContact O-CG 3.4Å; S554-K558 PolarHBondContact O-N 3.37Å |
| 555 | D | 83 | Confident | 79.2 | Confident | 77 Ų | 77 | 106.6 Ų | 106.6 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 178.7 | -74.9 | -8.6 | 0 | 0 | 0 | 111.9 | E551 R557 K558 K559 | E551-D555 VanDerWaalsContact O-CB 3.31Å; E551-D555 WeakPolarHBondContact O-CB 3.47Å; E551-D555 PolarHBondContact O-N 2.67Å; D555-R557 VanDerWaalsContact C-N 3.29Å; D555-K558 IonicContact OD1-NZ 3.94Å; D555-K559 WeakPolarHBondContact O-CB 3.43Å; D555-K559 WeakPolarHBondContact O-CG 3.44Å; D555-K559 PolarHBondContact O-N 2.84Å |
| 556 | L | 80.8 | Confident | 78.4 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 169.9 | -81.8 | 169.8 | 0 | 0 | 0 | 111.5 | A552 R560 | A552-L556 VanDerWaalsContact O-CB 3.23Å; A552-L556 WeakPolarHBondContact O-CB 3.33Å; A552-L556 VanDerWaalsContact O-CG 3.23Å; A552-L556 WeakPolarHBondContact O-CG 3.44Å; A552-L556 PolarHBondContact O-N 3.44Å; L556-R560 WeakPolarHBondContact O-CB 3.46Å; L556-R560 PolarHBondContact O-N 2.85Å |
| 557 | R | 81.3 | Confident | 76.9 | Confident | 175 Ų | 175 | 109 Ų | 109 | 66% | 0.66 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.6 | -45.7 | 175.9 | -169.2 | 177.3 | -178 | 171 | 3.5 | 111.6 | H553 S554 D555 R560 E561 | H553-R557 VanDerWaalsContact O-CB 3.3Å; H553-R557 WeakPolarHBondContact O-CB 3.23Å; H553-R557 PolarHBondContact O-N 3.22Å; S554-R557 WeakPolarHBondContact O-CB 3.38Å; S554-R557 PolarHBondContact O-N 2.85Å; D555-R557 VanDerWaalsContact C-N 3.29Å; R557-R560 CarbonylContact O-C 3.55Å; R557-R560 WeakPolarHBondContact O-CB 3.37Å; R557-R560 PolarHBondContact O-N 3.36Å; R557-R560 VanDerWaalsContact O-N 3.15Å; R557-E561 PolarHBondContact O-N 3.16Å |
| 558 | K | 84.6 | Confident | 75.6 | Confident | 114 Ų | 114 | 108 Ų | 108 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 172.7 | -70.3 | 170.9 | -170 | 164.5 | 0 | 111.6 | S554 D555 R560 E561 V562 | S554-K558 WeakPolarHBondContact O-CG 3.4Å; S554-K558 PolarHBondContact O-N 3.37Å; D555-K558 IonicContact OD1-NZ 3.94Å; K558-R560 VanDerWaalsContact C-N 3.3Å; K558-R560 PolarHBondContact O-N 2.87Å; K558-E561 PolarHBondContact O-N 3.48Å; K558-V562 WeakPolarHBondContact O-CB 3.36Å; K558-V562 WeakPolarHBondContact O-CG2 3.34Å; K558-V562 PolarHBondContact O-N 2.98Å |
| 559 | K | 80.1 | Confident | 74.3 | Confident | 133 Ų | 133 | 110.9 Ų | 110.9 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -33.8 | 173.8 | -76.7 | 176.4 | -177.3 | -179.3 | 0 | 111.5 | D555 I563 | D555-K559 WeakPolarHBondContact O-CB 3.43Å; D555-K559 WeakPolarHBondContact O-CG 3.44Å; D555-K559 PolarHBondContact O-N 2.84Å; K559-I563 VanDerWaalsContact O-CB 3.26Å; K559-I563 WeakPolarHBondContact O-CB 3.3Å; K559-I563 WeakPolarHBondContact O-CD1 3.46Å; K559-I563 WeakPolarHBondContact O-CG1 3.45Å; K559-I563 PolarHBondContact O-N 2.89Å |
| 560 | R | 75.4 | Confident | 72.9 | Confident | 188 Ų | 188 | 110.9 Ų | 110.9 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.8 | -44.1 | 171.2 | -101.1 | 173.1 | 174.6 | -166.9 | -4.2 | 112.4 | L556 R557 K558 V562 I563 D564 | L556-R560 WeakPolarHBondContact O-CB 3.46Å; L556-R560 PolarHBondContact O-N 2.85Å; R557-R560 CarbonylContact O-C 3.55Å; R557-R560 WeakPolarHBondContact O-CB 3.37Å; R557-R560 PolarHBondContact O-N 3.36Å; R557-R560 VanDerWaalsContact O-N 3.15Å; K558-R560 VanDerWaalsContact C-N 3.3Å; K558-R560 PolarHBondContact O-N 2.87Å; R560-V562 VanDerWaalsContact C-N 3.33Å; R560-V562 PolarHBondContact O-N 3.48Å; R560-I563 CarbonylContact O-C 3.55Å; R560-I563 PolarHBondContact O-N 3.44Å; R560-D564 WeakPolarHBondContact O-CB 3.49Å; R560-D564 PolarHBondContact O-N 2.97Å |
| 561 | E | 76.7 | Confident | 71.8 | Confident | 102 Ų | 102 | 109.8 Ų | 109.8 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 173.8 | -74.7 | 171.5 | -177.9 | 0 | 0 | 111.3 | R557 K558 D564 D565 | R557-E561 PolarHBondContact O-N 3.16Å; K558-E561 PolarHBondContact O-N 3.48Å; E561-D564 CarbonylContact O-C 3.57Å; E561-D564 PolarHBondContact O-N 3.41Å; E561-D565 WeakPolarHBondContact O-CB 3.5Å; E561-D565 VanDerWaalsContact O-CG 3.3Å; E561-D565 PolarHBondContact O-N 3.5Å |
| 562 | V | 75.4 | Confident | 70.8 | Confident | 74 Ų | 74 | 108.3 Ų | 108.3 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -34.9 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | K558 R560 D565 L566 | K558-V562 WeakPolarHBondContact O-CB 3.36Å; K558-V562 WeakPolarHBondContact O-CG2 3.34Å; K558-V562 PolarHBondContact O-N 2.98Å; R560-V562 VanDerWaalsContact C-N 3.33Å; R560-V562 PolarHBondContact O-N 3.48Å; V562-D565 PolarHBondContact O-N 2.98Å; V562-L566 HydrophobicContact CG1-CD1 3.52Å; V562-L566 HydrophobicContact CG1-CG 4.03Å; V562-L566 WeakPolarHBondContact O-CB 3.47Å; V562-L566 WeakPolarHBondContact O-CG 3.42Å; V562-L566 PolarHBondContact O-N 2.88Å |
| 563 | I | 68.4 | Low | 70.2 | Confident | 93 Ų | 93 | 112 Ų | 112 | 48% | 0.477 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.8 | -36.5 | 171.9 | -73.7 | 162.2 | 0 | 0 | 0 | 110.4 | K559 R560 D565 L566 E567 | K559-I563 VanDerWaalsContact O-CB 3.26Å; K559-I563 WeakPolarHBondContact O-CB 3.3Å; K559-I563 WeakPolarHBondContact O-CD1 3.46Å; K559-I563 WeakPolarHBondContact O-CG1 3.45Å; K559-I563 PolarHBondContact O-N 2.89Å; R560-I563 CarbonylContact O-C 3.55Å; R560-I563 PolarHBondContact O-N 3.44Å; I563-D565 VanDerWaalsContact C-N 3.32Å; I563-L566 CarbonylContact O-C 3.54Å; I563-L566 PolarHBondContact O-N 3.45Å; I563-E567 WeakPolarHBondContact O-CA 3.29Å; I563-E567 VanDerWaalsContact O-CB 3.26Å; I563-E567 WeakPolarHBondContact O-CB 3.05Å; I563-E567 PolarHBondContact O-N 3.19Å |
| 564 | D | 71.9 | Confident | 69.7 | Low | 93 Ų | 93 | 112 Ų | 112 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.4 | -26.3 | 175.4 | -71.7 | -8 | 0 | 0 | 0 | 111.9 | R560 E561 | R560-D564 WeakPolarHBondContact O-CB 3.49Å; R560-D564 PolarHBondContact O-N 2.97Å; E561-D564 CarbonylContact O-C 3.57Å; E561-D564 PolarHBondContact O-N 3.41Å |
| 565 | D | 66.9 | Low | 69.1 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83.6 | -26.9 | 172.4 | -73.5 | -24.4 | 0 | 0 | 0 | 112.8 | E561 V562 I563 | E561-D565 WeakPolarHBondContact O-CB 3.5Å; E561-D565 VanDerWaalsContact O-CG 3.3Å; E561-D565 PolarHBondContact O-N 3.5Å; V562-D565 PolarHBondContact O-N 2.98Å; I563-D565 VanDerWaalsContact C-N 3.32Å |
| 566 | L | 58.6 | Low | 69 | Low | 131 Ų | 131 | 113.4 Ų | 113.4 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -95.4 | -20.3 | 177.6 | -71 | 174.8 | 0 | 0 | 0 | 113.4 | V562 I563 P568 | V562-L566 HydrophobicContact CG1-CD1 3.52Å; V562-L566 HydrophobicContact CG1-CG 4.03Å; V562-L566 WeakPolarHBondContact O-CB 3.47Å; V562-L566 WeakPolarHBondContact O-CG 3.42Å; V562-L566 PolarHBondContact O-N 2.88Å; I563-L566 CarbonylContact O-C 3.54Å; I563-L566 PolarHBondContact O-N 3.45Å; L566-P568 WeakPolarHBondContact O-CD 3.36Å |
| 567 | E | 49.8 | Very low | 69.1 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -63.3 | 112.6 | 159 | -95.1 | -168 | 165.1 | 0 | 0 | 104.8 | I563 K569 | I563-E567 WeakPolarHBondContact O-CA 3.29Å; I563-E567 VanDerWaalsContact O-CB 3.26Å; I563-E567 WeakPolarHBondContact O-CB 3.05Å; I563-E567 PolarHBondContact O-N 3.19Å; E567-K569 VanDerWaalsContact C-N 3.34Å; E567-K569 PolarHBondContact O-N 3.33Å |
| 568 | P | 55 | Low | 69.1 | Low | 100 Ų | 100 | 110.2 Ų | 110.2 | 65% | 0.649 | 57% | 0.565 | S | S | * | * | trans | -61.6 | 107.2 | 172.1 | 25.8 | -30 | 0 | 0 | 0 | 105.5 | L566 A570 | L566-P568 WeakPolarHBondContact O-CD 3.36Å; P568-A570 PolarHBondContact O-N 3.33Å | ||
| 569 | K | 55.6 | Low | 69.3 | Low | 174 Ų | 174 | 109.5 Ų | 109.5 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | trans | -49 | 100.3 | 158.5 | -74 | 175.7 | -178.2 | 164.7 | 0 | 104.1 | E567 D571 | E567-K569 VanDerWaalsContact C-N 3.34Å; E567-K569 PolarHBondContact O-N 3.33Å; K569-D571 WeakPolarHBondContact O-CA 3.43Å; K569-D571 PolarHBondContact O-N 3.44Å | ||
| 570 | A | 53.3 | Low | 69.8 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | trans | -36.4 | 105.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P568 S572 | P568-A570 PolarHBondContact O-N 3.33Å; A570-S572 PolarHBondContact O-N 2.92Å | ||
| 571 | D | 58.3 | Low | 70.4 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | trans | -53.3 | 124.5 | -157.6 | -76.6 | -55 | 0 | 0 | 0 | 107.6 | K569 N573 M574 A575 | K569-D571 WeakPolarHBondContact O-CA 3.43Å; K569-D571 PolarHBondContact O-N 3.44Å; D571-N573 HydrophobicContact CB-CB 4.42Å; D571-N573 CarbonylContact O-C 3.5Å; D571-N573 PolarHBondContact O-N 2.82Å; D571-M574 HydrophobicContact CB-CB 3.86Å; D571-M574 WeakPolarHBondContact O-CA 3.44Å; D571-M574 PolarHBondContact O-N 3.35Å; D571-A575 PolarHBondContact O-N 2.91Å | ||
| 572 | S | 63.6 | Low | 71 | Confident | 75 Ų | 75 | 105.5 Ų | 105.5 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -49.8 | -27.7 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | A570 K576 | A570-S572 PolarHBondContact O-N 2.92Å; S572-K576 VanDerWaalsContact O-CB 3.3Å; S572-K576 WeakPolarHBondContact O-CB 3.31Å; S572-K576 VanDerWaalsContact O-CD 3.31Å; S572-K576 WeakPolarHBondContact O-CD 3.29Å; S572-K576 WeakPolarHBondContact O-CG 3.24Å; S572-K576 PolarHBondContact O-N 3.27Å; S572-K576 WeakPolarHBondContact OG-CE 3.45Å |
| 573 | N | 66.6 | Low | 71.9 | Confident | 121 Ų | 121 | 106.7 Ų | 106.7 | 65% | 0.647 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.2 | -36.7 | 172.8 | -69.4 | -14.8 | 0 | 0 | 0 | 114.4 | D571 K577 | D571-N573 HydrophobicContact CB-CB 4.42Å; D571-N573 CarbonylContact O-C 3.5Å; D571-N573 PolarHBondContact O-N 2.82Å; N573-K577 VanDerWaalsContact O-CB 3.26Å; N573-K577 WeakPolarHBondContact O-CB 3.47Å; N573-K577 PolarHBondContact O-N 2.87Å |
| 574 | M | 70.5 | Confident | 73.1 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.1 | -39.9 | 175.6 | -172.9 | 167.3 | -68.4 | 0 | 0 | 111.2 | D571 K577 I578 | D571-M574 HydrophobicContact CB-CB 3.86Å; D571-M574 WeakPolarHBondContact O-CA 3.44Å; D571-M574 PolarHBondContact O-N 3.35Å; M574-K577 PolarHBondContact O-N 3.48Å; M574-I578 HydrophobicContact CG-CD1 4.14Å; M574-I578 WeakPolarHBondContact O-CB 3.48Å; M574-I578 VanDerWaalsContact O-CG1 3.23Å; M574-I578 WeakPolarHBondContact O-CG1 3.48Å; M574-I578 PolarHBondContact O-N 2.71Å |
| 575 | A | 76.3 | Confident | 73.9 | Confident | 47 Ų | 47 | 107.9 Ų | 107.9 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60 | -48.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D571 K577 I578 D579 | D571-A575 PolarHBondContact O-N 2.91Å; A575-K577 VanDerWaalsContact C-N 3.34Å; A575-K577 PolarHBondContact O-N 2.96Å; A575-I578 PolarHBondContact O-N 3.03Å; A575-D579 PolarHBondContact O-N 2.89Å |
| 576 | K | 80.3 | Confident | 75.2 | Confident | 111 Ų | 111 | 108.8 Ų | 108.8 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -38.9 | 174.4 | -75.8 | 169.1 | -173.7 | 173.2 | 0 | 113.1 | S572 I578 D579 E580 | S572-K576 VanDerWaalsContact O-CB 3.3Å; S572-K576 WeakPolarHBondContact O-CB 3.31Å; S572-K576 VanDerWaalsContact O-CD 3.31Å; S572-K576 WeakPolarHBondContact O-CD 3.29Å; S572-K576 WeakPolarHBondContact O-CG 3.24Å; S572-K576 PolarHBondContact O-N 3.27Å; S572-K576 WeakPolarHBondContact OG-CE 3.45Å; K576-I578 VanDerWaalsContact C-N 3.33Å; K576-D579 PolarHBondContact O-N 3.48Å; K576-E580 WeakPolarHBondContact O-CB 2.89Å; K576-E580 VanDerWaalsContact O-CG 3.3Å; K576-E580 WeakPolarHBondContact O-CG 3.31Å; K576-E580 PolarHBondContact O-N 3.37Å |
| 577 | K | 83.3 | Confident | 77 | Confident | 129 Ų | 129 | 109 Ų | 109 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.1 | -39.8 | 176.9 | -160.6 | 100.5 | 178.1 | -174.6 | 0 | 111.2 | N573 M574 A575 L581 | N573-K577 VanDerWaalsContact O-CB 3.26Å; N573-K577 WeakPolarHBondContact O-CB 3.47Å; N573-K577 PolarHBondContact O-N 2.87Å; M574-K577 PolarHBondContact O-N 3.48Å; A575-K577 VanDerWaalsContact C-N 3.34Å; A575-K577 PolarHBondContact O-N 2.96Å; K577-L581 HydrophobicContact CG-CD1 4.34Å; K577-L581 WeakPolarHBondContact O-CB 3.45Å; K577-L581 WeakPolarHBondContact O-CG 3.48Å; K577-L581 PolarHBondContact O-N 3.01Å |
| 578 | I | 80.6 | Confident | 78.9 | Confident | 82 Ų | 82 | 109.6 Ų | 109.6 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.4 | -45.7 | 175.4 | -70.9 | 165.5 | 0 | 0 | 0 | 109.7 | M574 A575 K576 E580 L581 Q582 | M574-I578 HydrophobicContact CG-CD1 4.14Å; M574-I578 WeakPolarHBondContact O-CB 3.48Å; M574-I578 VanDerWaalsContact O-CG1 3.23Å; M574-I578 WeakPolarHBondContact O-CG1 3.48Å; M574-I578 PolarHBondContact O-N 2.71Å; A575-I578 PolarHBondContact O-N 3.03Å; K576-I578 VanDerWaalsContact C-N 3.33Å; I578-E580 PolarHBondContact O-N 3.35Å; I578-L581 PolarHBondContact O-N 3.24Å; I578-Q582 HydrophobicContact CG2-CG 4.44Å; I578-Q582 WeakPolarHBondContact O-CB 3.4Å; I578-Q582 VanDerWaalsContact O-CG 3.25Å; I578-Q582 WeakPolarHBondContact O-CG 3.39Å; I578-Q582 PolarHBondContact O-N 3.5Å |
| 579 | D | 89.1 | Confident | 80.7 | Confident | 98 Ų | 98 | 108 Ų | 108 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177 | -66.1 | -20.8 | 0 | 0 | 0 | 111.9 | A575 K576 Q582 E583 | A575-D579 PolarHBondContact O-N 2.89Å; K576-D579 PolarHBondContact O-N 3.48Å; D579-Q582 PolarHBondContact O-N 3.4Å; D579-E583 PolarHBondContact O-N 3.48Å |
| 580 | E | 91.4 | Very high | 82.5 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 174.8 | -78.3 | 173.7 | -174.9 | 0 | 0 | 111.9 | K576 I578 E583 I584 | K576-E580 WeakPolarHBondContact O-CB 2.89Å; K576-E580 VanDerWaalsContact O-CG 3.3Å; K576-E580 WeakPolarHBondContact O-CG 3.31Å; K576-E580 PolarHBondContact O-N 3.37Å; I578-E580 PolarHBondContact O-N 3.35Å; E580-E583 PolarHBondContact O-N 2.88Å; E580-I584 VanDerWaalsContact O-CG1 3.26Å; E580-I584 WeakPolarHBondContact O-CG1 3.5Å; E580-I584 PolarHBondContact O-N 2.85Å |
| 581 | L | 87.3 | Confident | 84.4 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 177.2 | -73.9 | 171.2 | 0 | 0 | 0 | 111.7 | K577 I578 I584 L585 | K577-L581 HydrophobicContact CG-CD1 4.34Å; K577-L581 WeakPolarHBondContact O-CB 3.45Å; K577-L581 WeakPolarHBondContact O-CG 3.48Å; K577-L581 PolarHBondContact O-N 3.01Å; I578-L581 PolarHBondContact O-N 3.24Å; L581-I584 PolarHBondContact O-N 2.85Å; L581-L585 WeakPolarHBondContact O-CB 3.44Å; L581-L585 PolarHBondContact O-N 2.89Å |
| 582 | Q | 89.3 | Confident | 85.9 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 173.8 | -75.7 | 177.2 | 1.4 | 0 | 0 | 111.6 | I578 D579 L585 R586 | I578-Q582 HydrophobicContact CG2-CG 4.44Å; I578-Q582 WeakPolarHBondContact O-CB 3.4Å; I578-Q582 VanDerWaalsContact O-CG 3.25Å; I578-Q582 WeakPolarHBondContact O-CG 3.39Å; I578-Q582 PolarHBondContact O-N 3.5Å; D579-Q582 PolarHBondContact O-N 3.4Å; Q582-L585 PolarHBondContact O-N 3.35Å; Q582-R586 WeakPolarHBondContact O-CB 3.29Å; Q582-R586 PolarHBondContact O-N 3.19Å |
| 583 | E | 94.2 | Very high | 87.3 | Confident | 98 Ų | 98 | 105 Ų | 105 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.6 | -36.3 | 177.5 | -170.7 | 59 | -162.7 | 0 | 0 | 112.2 | D579 E580 R586 K587 | D579-E583 PolarHBondContact O-N 3.48Å; E580-E583 PolarHBondContact O-N 2.88Å; E583-R586 PolarHBondContact O-N 3.03Å; E583-R586 IonicContact OE1-CZ 2.77Å; E583-R586 IonicContact OE1-NE 3.94Å; E583-R586 PolarHBondContact OE1-NE 3.33Å; E583-R586 IonicContact OE1-NH2 3.9Å; E583-R586 PolarHBondContact OE1-NH2 3.43Å; E583-R586 IonicContact OE2-CZ 3.7Å; E583-R586 IonicContact OE2-NE 3.96Å; E583-R586 PolarHBondContact OE2-NE 3.26Å; E583-R586 IonicContact OE2-NH2 3.72Å; E583-K587 WeakPolarHBondContact O-CB 3.3Å; E583-K587 PolarHBondContact O-N 3.45Å |
| 584 | I | 93.4 | Very high | 88.6 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 172.1 | -68.9 | 165.2 | 0 | 0 | 0 | 110.7 | E580 L581 K587 K588 | E580-I584 VanDerWaalsContact O-CG1 3.26Å; E580-I584 WeakPolarHBondContact O-CG1 3.5Å; E580-I584 PolarHBondContact O-N 2.85Å; L581-I584 PolarHBondContact O-N 2.85Å; I584-K587 PolarHBondContact O-N 3.02Å; I584-K588 WeakPolarHBondContact O-CG 3.24Å; I584-K588 PolarHBondContact O-N 2.81Å |
| 585 | L | 89.3 | Confident | 89.4 | Confident | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 177 | -160.3 | 86.7 | 0 | 0 | 0 | 110.6 | L581 Q582 K587 K588 D589 | L581-L585 WeakPolarHBondContact O-CB 3.44Å; L581-L585 PolarHBondContact O-N 2.89Å; Q582-L585 PolarHBondContact O-N 3.35Å; L585-K587 VanDerWaalsContact C-N 3.29Å; L585-K587 PolarHBondContact O-N 2.98Å; L585-K588 PolarHBondContact O-N 3.25Å; L585-K588 VanDerWaalsContact O-N 3.11Å; L585-D589 PolarHBondContact O-N 3.37Å |
| 586 | R | 94.4 | Very high | 90 | Very high | 150 Ų | 150 | 105.1 Ų | 105.1 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.8 | -40.1 | 177.3 | -163.9 | -174.7 | 77.5 | 84.4 | 3.3 | 112.1 | Q582 E583 D589 E590 | Q582-R586 WeakPolarHBondContact O-CB 3.29Å; Q582-R586 PolarHBondContact O-N 3.19Å; E583-R586 PolarHBondContact O-N 3.03Å; E583-R586 IonicContact OE1-CZ 2.77Å; E583-R586 IonicContact OE1-NE 3.94Å; E583-R586 PolarHBondContact OE1-NE 3.33Å; E583-R586 IonicContact OE1-NH2 3.9Å; E583-R586 PolarHBondContact OE1-NH2 3.43Å; E583-R586 IonicContact OE2-CZ 3.7Å; E583-R586 IonicContact OE2-NE 3.96Å; E583-R586 PolarHBondContact OE2-NE 3.26Å; E583-R586 IonicContact OE2-NH2 3.72Å; R586-D589 PolarHBondContact O-N 3.46Å; R586-E590 PolarHBondContact O-N 3.14Å; R586-E590 VanDerWaalsContact O-N 3.11Å |
| 587 | K | 95.2 | Very high | 90.6 | Very high | 136 Ų | 136 | 104.4 Ų | 104.4 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 175.8 | -171 | 177 | -179.1 | 179.6 | 0 | 111.9 | E583 I584 L585 E590 D591 | E583-K587 WeakPolarHBondContact O-CB 3.3Å; E583-K587 PolarHBondContact O-N 3.45Å; I584-K587 PolarHBondContact O-N 3.02Å; L585-K587 VanDerWaalsContact C-N 3.29Å; L585-K587 PolarHBondContact O-N 2.98Å; K587-E590 PolarHBondContact O-N 2.85Å; K587-D591 PolarHBondContact O-N 3.47Å |
| 588 | K | 90.7 | Very high | 91 | Very high | 139 Ų | 139 | 104.9 Ų | 104.9 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -38.5 | 176.2 | -74.1 | -71.5 | -174.5 | 176.1 | 0 | 112.3 | I584 L585 E590 D591 M592 | I584-K588 WeakPolarHBondContact O-CG 3.24Å; I584-K588 PolarHBondContact O-N 2.81Å; L585-K588 PolarHBondContact O-N 3.25Å; L585-K588 VanDerWaalsContact O-N 3.11Å; K588-E590 VanDerWaalsContact C-N 3.33Å; K588-D591 PolarHBondContact O-N 3.47Å; K588-M592 VanDerWaalsContact O-CB 3.31Å; K588-M592 WeakPolarHBondContact O-CB 3.39Å; K588-M592 PolarHBondContact O-N 2.95Å |
| 589 | D | 91.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 108 Ų | 108 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 174.3 | -74.1 | -24.3 | 0 | 0 | 0 | 111.9 | L585 R586 M592 K593 | L585-D589 PolarHBondContact O-N 3.37Å; R586-D589 PolarHBondContact O-N 3.46Å; D589-M592 PolarHBondContact O-N 3.23Å; D589-K593 WeakPolarHBondContact O-CG 3.38Å; D589-K593 PolarHBondContact O-N 3.2Å |
| 590 | E | 93.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 109.7 Ų | 109.7 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 175.7 | -169.8 | 57.6 | -150.7 | 0 | 0 | 111.9 | R586 K587 K588 M592 K593 Q594 | R586-E590 PolarHBondContact O-N 3.14Å; R586-E590 VanDerWaalsContact O-N 3.11Å; K587-E590 PolarHBondContact O-N 2.85Å; K588-E590 VanDerWaalsContact C-N 3.33Å; E590-M592 VanDerWaalsContact C-N 3.31Å; E590-M592 PolarHBondContact O-N 2.93Å; E590-K593 PolarHBondContact O-N 2.92Å; E590-Q594 WeakPolarHBondContact O-CG 3.46Å; E590-Q594 PolarHBondContact O-N 3.49Å |
| 591 | D | 93.1 | Very high | 91.6 | Very high | 70 Ų | 70 | 111.3 Ų | 111.3 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.6 | -71.9 | -18.1 | 0 | 0 | 0 | 111.3 | K587 K588 Q594 M595 | K587-D591 PolarHBondContact O-N 3.47Å; K588-D591 PolarHBondContact O-N 3.47Å; D591-Q594 PolarHBondContact O-N 2.71Å; D591-M595 WeakPolarHBondContact O-CB 3.41Å; D591-M595 WeakPolarHBondContact O-CG 3.46Å; D591-M595 PolarHBondContact O-N 3.35Å |
| 592 | M | 90.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 113.4 Ų | 113.4 | 50% | 0.498 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 175.8 | -176.2 | 166.2 | 57.4 | 0 | 0 | 111.2 | K588 D589 E590 Q594 M595 E596 | K588-M592 VanDerWaalsContact O-CB 3.31Å; K588-M592 WeakPolarHBondContact O-CB 3.39Å; K588-M592 PolarHBondContact O-N 2.95Å; D589-M592 PolarHBondContact O-N 3.23Å; E590-M592 VanDerWaalsContact C-N 3.31Å; E590-M592 PolarHBondContact O-N 2.93Å; M592-Q594 VanDerWaalsContact C-N 3.33Å; M592-Q594 PolarHBondContact O-N 2.83Å; M592-M595 WeakPolarHBondContact O-CB 3.43Å; M592-M595 PolarHBondContact O-N 3.43Å; M592-E596 WeakPolarHBondContact O-CG 3.26Å; M592-E596 PolarHBondContact O-N 3.35Å |
| 593 | K | 92.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 112.7 Ų | 112.7 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 173.1 | -76.4 | 174.1 | -175 | 169.4 | 0 | 112.4 | D589 E590 E596 Q597 | D589-K593 WeakPolarHBondContact O-CG 3.38Å; D589-K593 PolarHBondContact O-N 3.2Å; E590-K593 PolarHBondContact O-N 2.92Å; K593-E596 PolarHBondContact O-N 3.29Å; K593-Q597 WeakPolarHBondContact O-CB 3.33Å; K593-Q597 VanDerWaalsContact O-CG 3.26Å; K593-Q597 WeakPolarHBondContact O-CG 3.25Å; K593-Q597 PolarHBondContact O-N 3.46Å |
| 594 | Q | 93.6 | Very high | 91.3 | Very high | 81 Ų | 81 | 112.7 Ų | 112.7 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.7 | -72.6 | -179.7 | 28.7 | 0 | 0 | 111.8 | E590 D591 M592 Q597 R598 | E590-Q594 WeakPolarHBondContact O-CG 3.46Å; E590-Q594 PolarHBondContact O-N 3.49Å; D591-Q594 PolarHBondContact O-N 2.71Å; M592-Q594 VanDerWaalsContact C-N 3.33Å; M592-Q594 PolarHBondContact O-N 2.83Å; Q594-Q597 PolarHBondContact O-N 3.13Å; Q594-R598 WeakPolarHBondContact O-CG 3.45Å; Q594-R598 PolarHBondContact O-N 3.32Å |
| 595 | M | 87.8 | Confident | 91.1 | Very high | 87 Ų | 87 | 114.5 Ų | 114.5 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 173.6 | -77.5 | -65.4 | -71.6 | 0 | 0 | 111.5 | D591 M592 Q597 R598 Y599 | D591-M595 WeakPolarHBondContact O-CB 3.41Å; D591-M595 WeakPolarHBondContact O-CG 3.46Å; D591-M595 PolarHBondContact O-N 3.35Å; M592-M595 WeakPolarHBondContact O-CB 3.43Å; M592-M595 PolarHBondContact O-N 3.43Å; M595-Q597 VanDerWaalsContact C-N 3.32Å; M595-Q597 PolarHBondContact O-N 2.96Å; M595-R598 WeakPolarHBondContact O-CB 3.46Å; M595-R598 PolarHBondContact O-N 2.94Å; M595-R598 VanDerWaalsContact O-N 3.11Å; M595-Y599 HydrophobicContact CE-CE2 3.7Å; M595-Y599 WeakPolarHBondContact O-CD2 3.46Å; M595-Y599 PolarHBondContact O-N 3.22Å |
| 596 | E | 87.9 | Confident | 90.6 | Very high | 118 Ų | 118 | 111.3 Ų | 111.3 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.5 | -44.2 | 174.3 | -74.8 | 177.8 | 170.8 | 0 | 0 | 111.9 | M592 K593 R598 Y599 K600 | M592-E596 WeakPolarHBondContact O-CG 3.26Å; M592-E596 PolarHBondContact O-N 3.35Å; K593-E596 PolarHBondContact O-N 3.29Å; E596-R598 VanDerWaalsContact C-N 3.34Å; E596-R598 PolarHBondContact O-N 2.91Å; E596-Y599 PolarHBondContact O-N 2.87Å; E596-K600 VanDerWaalsContact O-CB 3.29Å; E596-K600 WeakPolarHBondContact O-CB 3.41Å; E596-K600 PolarHBondContact O-N 3.23Å |
| 597 | Q | 93.6 | Very high | 90.1 | Very high | 97 Ų | 97 | 112.1 Ų | 112.1 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.6 | -72.7 | 175.6 | 24.2 | 0 | 0 | 112.1 | K593 Q594 M595 K600 R601 | K593-Q597 WeakPolarHBondContact O-CB 3.33Å; K593-Q597 VanDerWaalsContact O-CG 3.26Å; K593-Q597 WeakPolarHBondContact O-CG 3.25Å; K593-Q597 PolarHBondContact O-N 3.46Å; Q594-Q597 PolarHBondContact O-N 3.13Å; M595-Q597 VanDerWaalsContact C-N 3.32Å; M595-Q597 PolarHBondContact O-N 2.96Å; Q597-K600 PolarHBondContact O-N 3.39Å; Q597-R601 VanDerWaalsContact O-CG 3.3Å; Q597-R601 WeakPolarHBondContact O-CG 3.34Å; Q597-R601 PolarHBondContact O-N 3.44Å |
| 598 | R | 91.4 | Very high | 89.4 | Confident | 139 Ų | 139 | 109.5 Ų | 109.5 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 174.4 | -74.9 | 177.1 | -176 | -166.9 | 3.1 | 111.4 | Q594 M595 E596 K600 R601 Y602 | Q594-R598 WeakPolarHBondContact O-CG 3.45Å; Q594-R598 PolarHBondContact O-N 3.32Å; M595-R598 WeakPolarHBondContact O-CB 3.46Å; M595-R598 PolarHBondContact O-N 2.94Å; M595-R598 VanDerWaalsContact O-N 3.11Å; E596-R598 VanDerWaalsContact C-N 3.34Å; E596-R598 PolarHBondContact O-N 2.91Å; R598-K600 VanDerWaalsContact C-N 3.31Å; R598-K600 PolarHBondContact O-N 3.47Å; R598-R601 PolarHBondContact O-N 2.84Å; R598-Y602 HydrophobicContact CB-CE2 4.35Å; R598-Y602 WeakPolarHBondContact O-CD2 3.45Å; R598-Y602 PolarHBondContact O-N 3.34Å |
| 599 | Y | 87.6 | Confident | 88.9 | Confident | 146 Ų | 146 | 106.6 Ų | 106.6 | 57% | 0.573 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.1 | -43 | 174.8 | -81.9 | -63.4 | 0 | 0 | 0 | 111.8 | M595 E596 R601 Y602 M603 | M595-Y599 HydrophobicContact CE-CE2 3.7Å; M595-Y599 WeakPolarHBondContact O-CD2 3.46Å; M595-Y599 PolarHBondContact O-N 3.22Å; E596-Y599 PolarHBondContact O-N 2.87Å; Y599-R601 VanDerWaalsContact C-N 3.34Å; Y599-R601 PolarHBondContact O-N 2.88Å; Y599-Y602 PolarHBondContact O-N 2.94Å; Y599-M603 WeakPolarHBondContact O-CB 3.5Å; Y599-M603 WeakPolarHBondContact O-CG 3.2Å; Y599-M603 PolarHBondContact O-N 3.42Å |
| 600 | K | 93.5 | Very high | 87.9 | Confident | 135 Ų | 135 | 109 Ų | 109 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 176 | -167.9 | 175.2 | -179.2 | 178.8 | 0 | 111.7 | E596 Q597 R598 M603 E604 | E596-K600 VanDerWaalsContact O-CB 3.29Å; E596-K600 WeakPolarHBondContact O-CB 3.41Å; E596-K600 PolarHBondContact O-N 3.23Å; Q597-K600 PolarHBondContact O-N 3.39Å; R598-K600 VanDerWaalsContact C-N 3.31Å; R598-K600 PolarHBondContact O-N 3.47Å; K600-M603 PolarHBondContact O-N 3.26Å; K600-E604 WeakPolarHBondContact O-CB 3.42Å; K600-E604 WeakPolarHBondContact O-CG 3.34Å; K600-E604 PolarHBondContact O-N 2.86Å |
| 601 | R | 91.9 | Very high | 87 | Confident | 150 Ų | 150 | 113.3 Ų | 113.3 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 174.3 | -71.1 | 173.3 | -169.6 | 171 | 6.5 | 112.6 | Q597 R598 Y599 E604 K605 | Q597-R601 VanDerWaalsContact O-CG 3.3Å; Q597-R601 WeakPolarHBondContact O-CG 3.34Å; Q597-R601 PolarHBondContact O-N 3.44Å; R598-R601 PolarHBondContact O-N 2.84Å; Y599-R601 VanDerWaalsContact C-N 3.34Å; Y599-R601 PolarHBondContact O-N 2.88Å; R601-E604 PolarHBondContact O-N 2.92Å; R601-K605 WeakPolarHBondContact O-CB 3.46Å; R601-K605 WeakPolarHBondContact O-CG 3.42Å; R601-K605 PolarHBondContact O-N 3.45Å |
| 602 | Y | 89.8 | Confident | 85.9 | Confident | 149 Ų | 149 | 115.5 Ų | 115.5 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 175 | -69.8 | -50.5 | 0 | 0 | 0 | 111.8 | R598 Y599 K605 A606 | R598-Y602 HydrophobicContact CB-CE2 4.35Å; R598-Y602 WeakPolarHBondContact O-CD2 3.45Å; R598-Y602 PolarHBondContact O-N 3.34Å; Y599-Y602 PolarHBondContact O-N 2.94Å; Y602-K605 PolarHBondContact O-N 3.47Å; Y602-A606 WeakPolarHBondContact O-CB 3.45Å; Y602-A606 PolarHBondContact O-N 3.38Å |
| 603 | M | 87.8 | Confident | 84.4 | Confident | 104 Ų | 104 | 116.9 Ų | 116.9 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 174.8 | -75.4 | -66.4 | -72 | 0 | 0 | 112 | Y599 K600 A606 R607 | Y599-M603 WeakPolarHBondContact O-CB 3.5Å; Y599-M603 WeakPolarHBondContact O-CG 3.2Å; Y599-M603 PolarHBondContact O-N 3.42Å; K600-M603 PolarHBondContact O-N 3.26Å; M603-A606 PolarHBondContact O-N 2.98Å; M603-R607 WeakPolarHBondContact O-CB 3.44Å; M603-R607 VanDerWaalsContact O-CG 3.27Å; M603-R607 WeakPolarHBondContact O-CG 3.29Å; M603-R607 PolarHBondContact O-N 3.37Å |
| 604 | E | 88.3 | Confident | 82.2 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 46% | 0.458 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.3 | -76.4 | 168.5 | -173.6 | 0 | 0 | 111.4 | K600 R601 R607 T608 | K600-E604 WeakPolarHBondContact O-CB 3.42Å; K600-E604 WeakPolarHBondContact O-CG 3.34Å; K600-E604 PolarHBondContact O-N 2.86Å; R601-E604 PolarHBondContact O-N 2.92Å; E604-R607 PolarHBondContact O-N 3.4Å; E604-T608 PolarHBondContact O-N 2.94Å; E604-T608 PolarHBondContact O-OG1 3.32Å |
| 605 | K | 87.6 | Confident | 80.2 | Confident | 136 Ų | 136 | 118.1 Ų | 118.1 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -42.9 | 173 | -76.7 | 179.6 | 179.1 | -174.2 | 0 | 112.4 | R601 Y602 T608 V609 | R601-K605 WeakPolarHBondContact O-CB 3.46Å; R601-K605 WeakPolarHBondContact O-CG 3.42Å; R601-K605 PolarHBondContact O-N 3.45Å; Y602-K605 PolarHBondContact O-N 3.47Å; K605-T608 WeakPolarHBondContact CA-OG1 3.34Å; K605-T608 PolarHBondContact O-N 3.28Å; K605-T608 PolarHBondContact O-OG1 3.35Å; K605-V609 WeakPolarHBondContact O-CB 3.49Å; K605-V609 VanDerWaalsContact O-CG2 3.26Å; K605-V609 WeakPolarHBondContact O-CG2 3.48Å; K605-V609 PolarHBondContact O-N 3.44Å |
| 606 | A | 80.4 | Confident | 78.4 | Confident | 46 Ų | 46 | 123.5 Ų | 123.5 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y602 M603 T608 V609 I610 | Y602-A606 WeakPolarHBondContact O-CB 3.45Å; Y602-A606 PolarHBondContact O-N 3.38Å; M603-A606 PolarHBondContact O-N 2.98Å; A606-T608 PolarHBondContact O-N 3.21Å; A606-V609 PolarHBondContact O-N 2.81Å; A606-I610 WeakPolarHBondContact O-CB 3.31Å; A606-I610 WeakPolarHBondContact O-CD1 3.48Å; A606-I610 WeakPolarHBondContact O-CG1 3.39Å; A606-I610 PolarHBondContact O-N 2.91Å |
| 607 | R | 82.3 | Confident | 76.4 | Confident | 167 Ų | 167 | 125.7 Ų | 125.7 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62 | -41 | 174.2 | -73.5 | 176.9 | -154.4 | -96.8 | 3.8 | 112.2 | M603 E604 K611 | M603-R607 WeakPolarHBondContact O-CB 3.44Å; M603-R607 VanDerWaalsContact O-CG 3.27Å; M603-R607 WeakPolarHBondContact O-CG 3.29Å; M603-R607 PolarHBondContact O-N 3.37Å; E604-R607 PolarHBondContact O-N 3.4Å; R607-K611 VanDerWaalsContact O-CB 3.23Å; R607-K611 WeakPolarHBondContact O-CB 3.35Å; R607-K611 PolarHBondContact O-N 3.47Å |
| 608 | T | 81.8 | Confident | 74.3 | Confident | 82 Ų | 82 | 126.8 Ų | 126.8 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.1 | -39.7 | 176.8 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | E604 K605 A606 K611 T612 | E604-T608 PolarHBondContact O-N 2.94Å; E604-T608 PolarHBondContact O-OG1 3.32Å; K605-T608 WeakPolarHBondContact CA-OG1 3.34Å; K605-T608 PolarHBondContact O-N 3.28Å; K605-T608 PolarHBondContact O-OG1 3.35Å; A606-T608 PolarHBondContact O-N 3.21Å; T608-K611 PolarHBondContact O-N 3.26Å; T608-T612 WeakPolarHBondContact O-CG2 3.4Å; T608-T612 PolarHBondContact O-N 2.87Å; T608-T612 PolarHBondContact O-OG1 3.02Å |
| 609 | V | 79.2 | Confident | 72.8 | Confident | 77 Ų | 77 | 124.4 Ų | 124.4 | 47% | 0.467 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.9 | -47.1 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | K605 A606 K611 T612 L613 | K605-V609 WeakPolarHBondContact O-CB 3.49Å; K605-V609 VanDerWaalsContact O-CG2 3.26Å; K605-V609 WeakPolarHBondContact O-CG2 3.48Å; K605-V609 PolarHBondContact O-N 3.44Å; A606-V609 PolarHBondContact O-N 2.81Å; V609-K611 VanDerWaalsContact C-N 3.29Å; V609-K611 PolarHBondContact O-N 2.94Å; V609-T612 VanDerWaalsContact CA-OG1 3.3Å; V609-T612 WeakPolarHBondContact CA-OG1 3.39Å; V609-T612 PolarHBondContact O-N 2.86Å; V609-T612 PolarHBondContact O-OG1 3.43Å; V609-L613 HydrophobicContact CG1-CD1 3.62Å; V609-L613 HydrophobicContact CG1-CG 4.31Å; V609-L613 WeakPolarHBondContact O-CB 3.47Å; V609-L613 VanDerWaalsContact O-CG 3.28Å; V609-L613 WeakPolarHBondContact O-CG 3.16Å; V609-L613 PolarHBondContact O-N 3.31Å |
| 610 | I | 71.5 | Confident | 71.2 | Confident | 117 Ų | 117 | 120.8 Ų | 120.8 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.5 | -44.4 | 174 | -69.5 | 164 | 0 | 0 | 0 | 110.4 | A606 T612 L613 D614 | A606-I610 WeakPolarHBondContact O-CB 3.31Å; A606-I610 WeakPolarHBondContact O-CD1 3.48Å; A606-I610 WeakPolarHBondContact O-CG1 3.39Å; A606-I610 PolarHBondContact O-N 2.91Å; I610-T612 VanDerWaalsContact C-N 3.34Å; I610-T612 PolarHBondContact O-N 3.44Å; I610-L613 PolarHBondContact O-N 3.45Å; I610-D614 PolarHBondContact O-N 2.9Å |
| 611 | K | 75.6 | Confident | 70 | Confident | 174 Ų | 174 | 118.3 Ų | 118.3 | 76% | 0.757 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.3 | -30.4 | 179.8 | -166.5 | 172.7 | -176 | 178 | 0 | 113.2 | R607 T608 V609 | R607-K611 VanDerWaalsContact O-CB 3.23Å; R607-K611 WeakPolarHBondContact O-CB 3.35Å; R607-K611 PolarHBondContact O-N 3.47Å; T608-K611 PolarHBondContact O-N 3.26Å; V609-K611 VanDerWaalsContact C-N 3.29Å; V609-K611 PolarHBondContact O-N 2.94Å |
| 612 | T | 69.7 | Low | 69 | Low | 115 Ų | 115 | 116 Ų | 116 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.2 | -20.5 | 174.8 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | T608 V609 I610 | T608-T612 WeakPolarHBondContact O-CG2 3.4Å; T608-T612 PolarHBondContact O-N 2.87Å; T608-T612 PolarHBondContact O-OG1 3.02Å; V609-T612 VanDerWaalsContact CA-OG1 3.3Å; V609-T612 WeakPolarHBondContact CA-OG1 3.39Å; V609-T612 PolarHBondContact O-N 2.86Å; V609-T612 PolarHBondContact O-OG1 3.43Å; I610-T612 VanDerWaalsContact C-N 3.34Å; I610-T612 PolarHBondContact O-N 3.44Å |
| 613 | L | 59.2 | Low | 67.9 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -91.9 | 6 | 178.1 | -71.5 | 173 | 0 | 0 | 0 | 113.6 | V609 I610 P615 | V609-L613 HydrophobicContact CG1-CD1 3.62Å; V609-L613 HydrophobicContact CG1-CG 4.31Å; V609-L613 WeakPolarHBondContact O-CB 3.47Å; V609-L613 VanDerWaalsContact O-CG 3.28Å; V609-L613 WeakPolarHBondContact O-CG 3.16Å; V609-L613 PolarHBondContact O-N 3.31Å; I610-L613 PolarHBondContact O-N 3.45Å; L613-P615 WeakPolarHBondContact O-CD 3.37Å |
| 614 | D | 46.5 | Very low | 67.4 | Low | 102 Ų | 102 | 112.1 Ų | 112.1 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -105.9 | 80.5 | 179.7 | -164.5 | 8.9 | 0 | 0 | 0 | 112.5 | I610 | I610-D614 PolarHBondContact O-N 2.9Š| ||
| 615 | P | 51 | Low | 67 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | trans | -84.4 | 104.7 | 158.9 | 32.1 | -25.7 | 0 | 0 | 0 | 109.2 | L613 | L613-P615 WeakPolarHBondContact O-CD 3.37Š| ||
| 616 | K | 50.2 | Low | 66.8 | Low | 199 Ų | 199 | 107.7 Ų | 107.7 | 87% | 0.865 | 60% | 0.595 | S | S | * | * | trans | 48 | 99.6 | 160.1 | -66.6 | -176.8 | 175.7 | -179.9 | 0 | 116.4 | ||||
| 617 | Q | 44.4 | Very low | 66.8 | Low | 165 Ų | 165 | 110.7 Ų | 110.7 | 77% | 0.771 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -47 | 135.5 | 165 | -74.7 | -178.4 | -8.8 | 0 | 0 | 114.5 | ||
| 618 | P | 51.1 | Low | 66.8 | Low | 120 Ų | 120 | 110 Ų | 110 | 78% | 0.779 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 159.1 | 142.1 | 19.4 | -2.5 | 0 | 0 | 0 | 110.7 | ||
| 619 | A | 58.5 | Low | 67 | Low | 88 Ų | 88 | 111 Ų | 111 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 151.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 620 | P | 55.8 | Low | 67.5 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 138.2 | -178.7 | 18 | -17.4 | 0 | 0 | 0 | 111 | V624 | P620-V624 HydrophobicContact CB-CB 4.42Å; P620-V624 HydrophobicContact CB-CG1 4.44Å |
| 621 | T | 66.4 | Low | 68.4 | Low | 83 Ų | 83 | 111.9 Ų | 111.9 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 147.8 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | D623 V624 Q625 | T621-D623 PolarHBondContact O-N 3.5Å; T621-V624 WeakPolarHBondContact O-CB 3.28Å; T621-V624 PolarHBondContact O-N 3.13Å; T621-Q625 PolarHBondContact O-N 3.08Å |
| 622 | P | 71.1 | Confident | 69.1 | Low | 103 Ų | 103 | 106.2 Ų | 106.2 | 67% | 0.669 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.8 | -27.1 | -174.2 | 18.2 | -30.6 | 0 | 0 | 0 | 114.1 | Q625 S626 | P622-Q625 WeakPolarHBondContact O-CB 3.46Å; P622-Q625 PolarHBondContact O-N 2.88Å; P622-S626 PolarHBondContact O-N 3.28Å |
| 623 | D | 67.8 | Low | 70.2 | Confident | 113 Ų | 113 | 105 Ų | 105 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.6 | -36.2 | 176.3 | -60.8 | -31.5 | 0 | 0 | 0 | 112.8 | T621 Q625 S626 L627 | T621-D623 PolarHBondContact O-N 3.5Å; D623-Q625 VanDerWaalsContact C-N 3.29Å; D623-Q625 PolarHBondContact O-N 2.83Å; D623-S626 PolarHBondContact O-N 3.25Å; D623-S626 PolarHBondContact O-OG 2.82Å; D623-L627 WeakPolarHBondContact O-CB 3.45Å; D623-L627 WeakPolarHBondContact O-CG 3.38Å; D623-L627 PolarHBondContact O-N 2.91Å |
| 624 | V | 76.6 | Confident | 71.7 | Confident | 58 Ų | 58 | 105.3 Ų | 105.3 | 35% | 0.352 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.4 | -33.2 | 176 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | P620 T621 R628 | P620-V624 HydrophobicContact CB-CB 4.42Å; P620-V624 HydrophobicContact CB-CG1 4.44Å; T621-V624 WeakPolarHBondContact O-CB 3.28Å; T621-V624 PolarHBondContact O-N 3.13Å; V624-R628 WeakPolarHBondContact O-CB 3.26Å; V624-R628 WeakPolarHBondContact O-CG 3.49Å; V624-R628 PolarHBondContact O-N 2.98Å; V624-R628 VanDerWaalsContact O-N 3.11Å |
| 625 | Q | 80.8 | Confident | 73.8 | Confident | 93 Ų | 93 | 105 Ų | 105 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.2 | -41.1 | 173.8 | -137.4 | 87.3 | 3 | 0 | 0 | 111.5 | T621 P622 D623 R628 N629 | T621-Q625 PolarHBondContact O-N 3.08Å; P622-Q625 WeakPolarHBondContact O-CB 3.46Å; P622-Q625 PolarHBondContact O-N 2.88Å; D623-Q625 VanDerWaalsContact C-N 3.29Å; D623-Q625 PolarHBondContact O-N 2.83Å; Q625-R628 PolarHBondContact O-N 3.31Å; Q625-N629 VanDerWaalsContact O-CG 3.31Å; Q625-N629 PolarHBondContact O-N 3.43Å |
| 626 | S | 82.4 | Confident | 75.9 | Confident | 48 Ų | 48 | 106.5 Ų | 106.5 | 34% | 0.336 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.5 | -43.3 | 179.1 | 96.1 | 0 | 0 | 0 | 0 | 111.6 | P622 D623 R628 N629 Q630 | P622-S626 PolarHBondContact O-N 3.28Å; D623-S626 PolarHBondContact O-N 3.25Å; D623-S626 PolarHBondContact O-OG 2.82Å; S626-R628 PolarHBondContact O-N 3.4Å; S626-N629 PolarHBondContact O-N 2.96Å; S626-N629 VanDerWaalsContact O-N 3.17Å; S626-Q630 WeakPolarHBondContact O-CG 3.4Å; S626-Q630 PolarHBondContact O-N 2.88Å |
| 627 | L | 81.1 | Confident | 78 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 177.1 | -72 | 171 | 0 | 0 | 0 | 111.9 | D623 Q630 L631 | D623-L627 WeakPolarHBondContact O-CB 3.45Å; D623-L627 WeakPolarHBondContact O-CG 3.38Å; D623-L627 PolarHBondContact O-N 2.91Å; L627-Q630 PolarHBondContact O-N 3.36Å; L627-L631 WeakPolarHBondContact O-CB 3.5Å; L627-L631 PolarHBondContact O-N 2.9Å |
| 628 | R | 81.7 | Confident | 80.2 | Confident | 153 Ų | 153 | 99.1 Ų | 99.1 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 171.7 | -80.4 | -178.1 | 176.6 | 178.1 | 0.9 | 111.9 | V624 Q625 S626 Q630 L631 T632 | V624-R628 WeakPolarHBondContact O-CB 3.26Å; V624-R628 WeakPolarHBondContact O-CG 3.49Å; V624-R628 PolarHBondContact O-N 2.98Å; V624-R628 VanDerWaalsContact O-N 3.11Å; Q625-R628 PolarHBondContact O-N 3.31Å; S626-R628 PolarHBondContact O-N 3.4Å; R628-Q630 PolarHBondContact O-N 2.94Å; R628-L631 PolarHBondContact O-N 3.31Å; R628-T632 WeakPolarHBondContact O-CG2 3.33Å; R628-T632 PolarHBondContact O-N 3.49Å |
| 629 | N | 87.3 | Confident | 82.2 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.8 | -71 | -15.3 | 0 | 0 | 0 | 111.5 | Q625 S626 L631 T632 E633 | Q625-N629 VanDerWaalsContact O-CG 3.31Å; Q625-N629 PolarHBondContact O-N 3.43Å; S626-N629 PolarHBondContact O-N 2.96Å; S626-N629 VanDerWaalsContact O-N 3.17Å; N629-L631 PolarHBondContact O-N 3.4Å; N629-T632 PolarHBondContact O-N 2.9Å; N629-T632 PolarHBondContact O-OG1 3.49Å; N629-E633 PolarHBondContact O-N 3.37Å |
| 630 | Q | 89.9 | Confident | 83.9 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.3 | -70.3 | -179.3 | 26.7 | 0 | 0 | 112.3 | S626 L627 R628 E633 K634 | S626-Q630 WeakPolarHBondContact O-CG 3.4Å; S626-Q630 PolarHBondContact O-N 2.88Å; L627-Q630 PolarHBondContact O-N 3.36Å; R628-Q630 PolarHBondContact O-N 2.94Å; Q630-E633 PolarHBondContact O-N 2.88Å; Q630-K634 WeakPolarHBondContact O-CB 3.46Å; Q630-K634 VanDerWaalsContact O-CG 3.24Å; Q630-K634 WeakPolarHBondContact O-CG 3.38Å; Q630-K634 PolarHBondContact O-N 2.87Å |
| 631 | L | 88.4 | Confident | 85.7 | Confident | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.2 | -166.1 | 76.6 | 0 | 0 | 0 | 110.9 | L627 R628 N629 E633 K634 E635 | L627-L631 WeakPolarHBondContact O-CB 3.5Å; L627-L631 PolarHBondContact O-N 2.9Å; R628-L631 PolarHBondContact O-N 3.31Å; N629-L631 PolarHBondContact O-N 3.4Å; L631-E633 VanDerWaalsContact C-N 3.28Å; L631-E633 PolarHBondContact O-N 3.23Å; L631-K634 PolarHBondContact O-N 3.45Å; L631-E635 WeakPolarHBondContact O-CG 3.38Å; L631-E635 PolarHBondContact O-N 2.93Å |
| 632 | T | 90.9 | Very high | 86.9 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 34% | 0.337 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -30.3 | 178.4 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | R628 N629 R636 | R628-T632 WeakPolarHBondContact O-CG2 3.33Å; R628-T632 PolarHBondContact O-N 3.49Å; N629-T632 PolarHBondContact O-N 2.9Å; N629-T632 PolarHBondContact O-OG1 3.49Å; T632-R636 PolarHBondContact O-N 2.91Å; T632-R636 PolarHBondContact O-NE 3.35Å; T632-R636 PolarHBondContact OG1-NH2 2.97Å; T632-R636 VanDerWaalsContact OG1-NH2 3.15Å |
| 633 | E | 92.4 | Very high | 88 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | 175.2 | -162.8 | -169.7 | 146.8 | 0 | 0 | 111.5 | N629 Q630 L631 R636 K637 | N629-E633 PolarHBondContact O-N 3.37Å; Q630-E633 PolarHBondContact O-N 2.88Å; L631-E633 VanDerWaalsContact C-N 3.28Å; L631-E633 PolarHBondContact O-N 3.23Å; E633-R636 PolarHBondContact O-N 2.88Å; E633-K637 WeakPolarHBondContact O-CG 3.31Å; E633-K637 PolarHBondContact O-N 3.27Å; E633-K637 WeakPolarHBondContact OE1-CE 3.23Å; E633-K637 IonicContact OE1-NZ 3.12Å; E633-K637 PolarHBondContact OE1-NZ 3.31Å |
| 634 | K | 90.8 | Very high | 89.2 | Confident | 138 Ų | 138 | 101.6 Ų | 101.6 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -39.9 | 174.4 | -69.4 | -78.1 | -177.4 | 167.6 | 0 | 111.4 | Q630 L631 K637 L638 | Q630-K634 WeakPolarHBondContact O-CB 3.46Å; Q630-K634 VanDerWaalsContact O-CG 3.24Å; Q630-K634 WeakPolarHBondContact O-CG 3.38Å; Q630-K634 PolarHBondContact O-N 2.87Å; L631-K634 PolarHBondContact O-N 3.45Å; K634-K637 PolarHBondContact O-N 3.45Å; K634-L638 PolarHBondContact O-N 2.89Å |
| 635 | E | 91.6 | Very high | 90 | Very high | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.1 | -78.2 | 164.9 | 161.9 | 0 | 0 | 111.6 | L631 K637 L638 Q639 | L631-E635 WeakPolarHBondContact O-CG 3.38Å; L631-E635 PolarHBondContact O-N 2.93Å; E635-K637 PolarHBondContact O-N 2.67Å; E635-L638 PolarHBondContact O-N 3.31Å; E635-Q639 WeakPolarHBondContact O-CG 3.33Å; E635-Q639 PolarHBondContact O-N 3.48Å |
| 636 | R | 95.1 | Very high | 90.6 | Very high | 142 Ų | 142 | 108 Ų | 108 | 54% | 0.536 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 173 | -89 | -178.5 | -95.9 | 115.7 | -0.3 | 112.8 | T632 E633 Q639 H640 | T632-R636 PolarHBondContact O-N 2.91Å; T632-R636 PolarHBondContact O-NE 3.35Å; T632-R636 PolarHBondContact OG1-NH2 2.97Å; T632-R636 VanDerWaalsContact OG1-NH2 3.15Å; E633-R636 PolarHBondContact O-N 2.88Å; R636-Q639 PolarHBondContact O-N 2.94Å; R636-H640 PolarHBondContact O-N 2.94Å |
| 637 | K | 94.8 | Very high | 91.3 | Very high | 108 Ų | 108 | 112.3 Ų | 112.3 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 175.9 | -75.8 | 173.6 | -174.8 | 165 | 0 | 111.8 | E633 K634 E635 H640 L641 | E633-K637 WeakPolarHBondContact O-CG 3.31Å; E633-K637 PolarHBondContact O-N 3.27Å; E633-K637 WeakPolarHBondContact OE1-CE 3.23Å; E633-K637 IonicContact OE1-NZ 3.12Å; E633-K637 PolarHBondContact OE1-NZ 3.31Å; K634-K637 PolarHBondContact O-N 3.45Å; E635-K637 PolarHBondContact O-N 2.67Å; K637-H640 PolarHBondContact O-N 2.9Å; K637-L641 WeakPolarHBondContact O-CG 3.27Å; K637-L641 PolarHBondContact O-N 3.16Å |
| 638 | L | 89.6 | Confident | 91.7 | Very high | 101 Ų | 101 | 109.9 Ų | 109.9 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | 174 | -94.3 | 162.7 | 0 | 0 | 0 | 111.3 | K634 E635 H640 L641 E642 | K634-L638 PolarHBondContact O-N 2.89Å; E635-L638 PolarHBondContact O-N 3.31Å; L638-H640 VanDerWaalsContact C-N 3.27Å; L638-H640 PolarHBondContact O-N 3.39Å; L638-L641 PolarHBondContact O-N 3.31Å; L638-E642 WeakPolarHBondContact O-CB 3.27Å; L638-E642 WeakPolarHBondContact O-CG 3.27Å; L638-E642 PolarHBondContact O-N 2.9Å |
| 639 | Q | 93.3 | Very high | 92.4 | Very high | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 177.5 | -72.6 | 175.9 | -3 | 0 | 0 | 112.7 | E635 R636 H643 | E635-Q639 WeakPolarHBondContact O-CG 3.33Å; E635-Q639 PolarHBondContact O-N 3.48Å; R636-Q639 PolarHBondContact O-N 2.94Å; Q639-H643 WeakPolarHBondContact O-CB 3.39Å; Q639-H643 PolarHBondContact O-N 2.87Å |
| 640 | H | 94.4 | Very high | 92.7 | Very high | 117 Ų | 117 | 109 Ų | 109 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.7 | -168.5 | 62.7 | 0 | 0 | 0 | 112.2 | R636 K637 L638 H643 D644 | R636-H640 PolarHBondContact O-N 2.94Å; K637-H640 PolarHBondContact O-N 2.9Å; L638-H640 VanDerWaalsContact C-N 3.27Å; L638-H640 PolarHBondContact O-N 3.39Å; H640-H643 PolarHBondContact O-N 3.26Å; H640-D644 IonicContact CD2-OD2 3.9Å; H640-D644 IonicContact NE2-OD2 3.61Å; H640-D644 PolarHBondContact O-N 2.88Å |
| 641 | L | 92.9 | Very high | 92.8 | Very high | 114 Ų | 114 | 110.6 Ų | 110.6 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -38.7 | 177.3 | -71.8 | 172.1 | 0 | 0 | 0 | 112.2 | K637 L638 D644 Y645 | K637-L641 WeakPolarHBondContact O-CG 3.27Å; K637-L641 PolarHBondContact O-N 3.16Å; L638-L641 PolarHBondContact O-N 3.31Å; L641-D644 PolarHBondContact O-N 3.4Å; L641-Y645 VanDerWaalsContact O-CB 3.29Å; L641-Y645 WeakPolarHBondContact O-CB 3.46Å; L641-Y645 PolarHBondContact O-N 3.37Å |
| 642 | E | 91.1 | Very high | 93 | Very high | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 173.4 | -76.6 | 176.2 | 168.4 | 0 | 0 | 111.1 | L638 D644 Y645 E646 | L638-E642 WeakPolarHBondContact O-CB 3.27Å; L638-E642 WeakPolarHBondContact O-CG 3.27Å; L638-E642 PolarHBondContact O-N 2.9Å; E642-D644 PolarHBondContact O-N 2.86Å; E642-Y645 PolarHBondContact O-N 2.9Å; E642-E646 PolarHBondContact O-N 3.42Å |
| 643 | H | 95.4 | Very high | 93.1 | Very high | 89 Ų | 89 | 110 Ų | 110 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.5 | -172.1 | 71.4 | 0 | 0 | 0 | 112.6 | Q639 H640 E646 R647 | Q639-H643 WeakPolarHBondContact O-CB 3.39Å; Q639-H643 PolarHBondContact O-N 2.87Å; H640-H643 PolarHBondContact O-N 3.26Å; H643-E646 PolarHBondContact O-N 2.97Å; H643-R647 PolarHBondContact NE2-NH2 3Å; H643-R647 WeakPolarHBondContact O-CB 3.42Å; H643-R647 PolarHBondContact O-N 3.15Å |
| 644 | D | 92.7 | Very high | 93.3 | Very high | 66 Ų | 66 | 111.8 Ų | 111.8 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.9 | -81.8 | -10.9 | 0 | 0 | 0 | 112 | H640 L641 E642 R647 S648 | H640-D644 IonicContact CD2-OD2 3.9Å; H640-D644 IonicContact NE2-OD2 3.61Å; H640-D644 PolarHBondContact O-N 2.88Å; L641-D644 PolarHBondContact O-N 3.4Å; E642-D644 PolarHBondContact O-N 2.86Å; D644-R647 PolarHBondContact O-N 3.18Å; D644-S648 WeakPolarHBondContact O-CB 3.41Å; D644-S648 PolarHBondContact O-N 3.35Å |
| 645 | Y | 92.5 | Very high | 93.4 | Very high | 159 Ų | 159 | 110.2 Ų | 110.2 | 62% | 0.624 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -46.5 | 174 | 179.4 | -101.9 | 0 | 0 | 0 | 111.6 | L641 E642 R647 S648 R649 | L641-Y645 VanDerWaalsContact O-CB 3.29Å; L641-Y645 WeakPolarHBondContact O-CB 3.46Å; L641-Y645 PolarHBondContact O-N 3.37Å; E642-Y645 PolarHBondContact O-N 2.9Å; Y645-R647 VanDerWaalsContact C-N 3.33Å; Y645-R647 PolarHBondContact O-N 2.95Å; Y645-S648 PolarHBondContact O-N 3.26Å; Y645-R649 WeakPolarHBondContact O-CB 3.23Å; Y645-R649 PolarHBondContact O-N 3.15Å |
| 646 | E | 95.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 110 Ų | 110 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 175.6 | -77.9 | 178.3 | 159.6 | 0 | 0 | 112 | E642 H643 R649 A650 | E642-E646 PolarHBondContact O-N 3.42Å; H643-E646 PolarHBondContact O-N 2.97Å; E646-R649 PolarHBondContact O-N 2.94Å; E646-A650 WeakPolarHBondContact O-CB 3.39Å; E646-A650 PolarHBondContact O-N 2.85Å |
| 647 | R | 95.3 | Very high | 93.5 | Very high | 138 Ų | 138 | 110 Ų | 110 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.9 | -168.9 | -176.3 | -69.9 | 172.4 | -2 | 112 | H643 D644 Y645 R651 | H643-R647 PolarHBondContact NE2-NH2 3Å; H643-R647 WeakPolarHBondContact O-CB 3.42Å; H643-R647 PolarHBondContact O-N 3.15Å; D644-R647 PolarHBondContact O-N 3.18Å; Y645-R647 VanDerWaalsContact C-N 3.33Å; Y645-R647 PolarHBondContact O-N 2.95Å; R647-R651 WeakPolarHBondContact O-CG 3.37Å; R647-R651 PolarHBondContact O-N 3.47Å; R647-R651 VanDerWaalsContact O-N 3.12Å |
| 648 | S | 91.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 110.3 Ų | 110.3 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | D644 Y645 A650 R651 H652 | D644-S648 WeakPolarHBondContact O-CB 3.41Å; D644-S648 PolarHBondContact O-N 3.35Å; Y645-S648 PolarHBondContact O-N 3.26Å; S648-A650 VanDerWaalsContact C-N 3.34Å; S648-A650 PolarHBondContact O-N 2.87Å; S648-R651 PolarHBondContact O-N 3Å; S648-H652 PolarHBondContact O-N 3.1Å |
| 649 | R | 96.3 | Very high | 93.7 | Very high | 176 Ų | 176 | 110.4 Ų | 110.4 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 176.2 | -173.3 | -179.7 | -178.8 | -178.6 | 2 | 112.2 | Y645 E646 H652 S653 | Y645-R649 WeakPolarHBondContact O-CB 3.23Å; Y645-R649 PolarHBondContact O-N 3.15Å; E646-R649 PolarHBondContact O-N 2.94Å; R649-H652 PolarHBondContact O-N 2.86Å; R649-S653 WeakPolarHBondContact O-CB 3.46Å; R649-S653 PolarHBondContact O-N 3.49Å |
| 650 | A | 93.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 109.9 Ų | 109.9 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E646 S648 S653 Q654 | E646-A650 WeakPolarHBondContact O-CB 3.39Å; E646-A650 PolarHBondContact O-N 2.85Å; S648-A650 VanDerWaalsContact C-N 3.34Å; S648-A650 PolarHBondContact O-N 2.87Å; A650-S653 PolarHBondContact O-N 3.46Å; A650-Q654 PolarHBondContact O-N 3.17Å |
| 651 | R | 92.4 | Very high | 93.7 | Very high | 141 Ų | 141 | 107.2 Ų | 107.2 | 53% | 0.532 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 174 | -77.7 | -173.4 | -69.8 | 151.4 | -3.8 | 111.8 | R647 S648 S653 Q654 E655 | R647-R651 WeakPolarHBondContact O-CG 3.37Å; R647-R651 PolarHBondContact O-N 3.47Å; R647-R651 VanDerWaalsContact O-N 3.12Å; S648-R651 PolarHBondContact O-N 3Å; R651-S653 VanDerWaalsContact C-N 3.35Å; R651-S653 PolarHBondContact O-N 2.63Å; R651-Q654 WeakPolarHBondContact O-CB 3.2Å; R651-Q654 PolarHBondContact O-N 2.83Å; R651-Q654 VanDerWaalsContact O-N 3.09Å; R651-E655 WeakPolarHBondContact O-CG 3.41Å; R651-E655 PolarHBondContact O-N 2.82Å |
| 652 | H | 92.1 | Very high | 93.7 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 178.9 | -166.4 | 60.7 | 0 | 0 | 0 | 112 | S648 R649 Q654 E655 E656 | S648-H652 PolarHBondContact O-N 3.1Å; R649-H652 PolarHBondContact O-N 2.86Å; H652-Q654 VanDerWaalsContact C-N 3.28Å; H652-Q654 PolarHBondContact O-N 2.83Å; H652-E655 IonicContact ND1-OE2 3.99Å; H652-E655 WeakPolarHBondContact O-CB 3.43Å; H652-E655 PolarHBondContact O-N 3.41Å; H652-E655 VanDerWaalsContact O-N 3.17Å; H652-E656 IonicContact CD2-OE1 3.18Å; H652-E656 IonicContact NE2-OE1 2.96Å; H652-E656 WeakPolarHBondContact O-CG 3.44Å; H652-E656 PolarHBondContact O-N 3.41Å |
| 653 | S | 93.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 108 Ų | 108 | 30% | 0.301 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | R649 A650 R651 K657 | R649-S653 WeakPolarHBondContact O-CB 3.46Å; R649-S653 PolarHBondContact O-N 3.49Å; A650-S653 PolarHBondContact O-N 3.46Å; R651-S653 VanDerWaalsContact C-N 3.35Å; R651-S653 PolarHBondContact O-N 2.63Å; S653-K657 VanDerWaalsContact O-CG 3.3Å; S653-K657 WeakPolarHBondContact O-CG 3.45Å; S653-K657 PolarHBondContact O-N 3.05Å; S653-K657 VanDerWaalsContact O-N 3.14Å |
| 654 | Q | 95.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 173.6 | -173.8 | 175.9 | 4.3 | 0 | 0 | 111.7 | A650 R651 H652 K657 L658 | A650-Q654 PolarHBondContact O-N 3.17Å; R651-Q654 WeakPolarHBondContact O-CB 3.2Å; R651-Q654 PolarHBondContact O-N 2.83Å; R651-Q654 VanDerWaalsContact O-N 3.09Å; H652-Q654 VanDerWaalsContact C-N 3.28Å; H652-Q654 PolarHBondContact O-N 2.83Å; Q654-K657 PolarHBondContact O-N 2.95Å; Q654-L658 WeakPolarHBondContact O-CG 3.33Å; Q654-L658 PolarHBondContact O-N 3.3Å |
| 655 | E | 93.9 | Very high | 93.4 | Very high | 105 Ų | 105 | 112.4 Ų | 112.4 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 174.6 | -71.7 | 172.3 | 178.5 | 0 | 0 | 111.4 | R651 H652 K657 L658 I659 | R651-E655 WeakPolarHBondContact O-CG 3.41Å; R651-E655 PolarHBondContact O-N 2.82Å; H652-E655 IonicContact ND1-OE2 3.99Å; H652-E655 WeakPolarHBondContact O-CB 3.43Å; H652-E655 PolarHBondContact O-N 3.41Å; H652-E655 VanDerWaalsContact O-N 3.17Å; E655-K657 VanDerWaalsContact C-N 3.34Å; E655-K657 PolarHBondContact O-N 3.49Å; E655-L658 WeakPolarHBondContact O-CB 3.45Å; E655-L658 PolarHBondContact O-N 2.83Å; E655-L658 VanDerWaalsContact O-N 3.14Å; E655-I659 VanDerWaalsContact O-CG1 3.29Å; E655-I659 WeakPolarHBondContact O-CG1 3.39Å; E655-I659 PolarHBondContact O-N 3.45Å |
| 656 | E | 92.6 | Very high | 93.2 | Very high | 91 Ų | 91 | 110.3 Ų | 110.3 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 174.8 | -74 | 178.6 | 155.8 | 0 | 0 | 111.8 | H652 L658 I659 I660 | H652-E656 IonicContact CD2-OE1 3.18Å; H652-E656 IonicContact NE2-OE1 2.96Å; H652-E656 WeakPolarHBondContact O-CG 3.44Å; H652-E656 PolarHBondContact O-N 3.41Å; E656-L658 VanDerWaalsContact C-N 3.31Å; E656-L658 PolarHBondContact O-N 2.83Å; E656-I659 PolarHBondContact O-N 3.38Å; E656-I660 WeakPolarHBondContact O-CB 3.37Å; E656-I660 WeakPolarHBondContact O-CD1 3.45Å; E656-I660 WeakPolarHBondContact O-CG1 3.46Å; E656-I660 PolarHBondContact O-N 2.72Å |
| 657 | K | 95.9 | Very high | 92.9 | Very high | 143 Ų | 143 | 106 Ų | 106 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 176.9 | -74.1 | 171 | -175.7 | 174 | 0 | 112.2 | S653 Q654 E655 S661 | S653-K657 VanDerWaalsContact O-CG 3.3Å; S653-K657 WeakPolarHBondContact O-CG 3.45Å; S653-K657 PolarHBondContact O-N 3.05Å; S653-K657 VanDerWaalsContact O-N 3.14Å; Q654-K657 PolarHBondContact O-N 2.95Å; E655-K657 VanDerWaalsContact C-N 3.34Å; E655-K657 PolarHBondContact O-N 3.49Å; K657-S661 VanDerWaalsContact O-CB 3.31Å; K657-S661 WeakPolarHBondContact O-CB 3.41Å; K657-S661 PolarHBondContact O-N 3.44Å |
| 658 | L | 95.1 | Very high | 92.6 | Very high | 114 Ų | 114 | 102.8 Ų | 102.8 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 176.3 | -71.4 | 172.5 | 0 | 0 | 0 | 111.4 | Q654 E655 E656 S661 A662 | Q654-L658 WeakPolarHBondContact O-CG 3.33Å; Q654-L658 PolarHBondContact O-N 3.3Å; E655-L658 WeakPolarHBondContact O-CB 3.45Å; E655-L658 PolarHBondContact O-N 2.83Å; E655-L658 VanDerWaalsContact O-N 3.14Å; E656-L658 VanDerWaalsContact C-N 3.31Å; E656-L658 PolarHBondContact O-N 2.83Å; L658-S661 PolarHBondContact O-N 3.4Å; L658-A662 WeakPolarHBondContact O-CB 2.98Å; L658-A662 PolarHBondContact O-N 3.16Å |
| 659 | I | 93.4 | Very high | 92.3 | Very high | 103 Ų | 103 | 102.6 Ų | 102.6 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.6 | -67.9 | 165.4 | 0 | 0 | 0 | 110.5 | E655 E656 S661 A662 W663 | E655-I659 VanDerWaalsContact O-CG1 3.29Å; E655-I659 WeakPolarHBondContact O-CG1 3.39Å; E655-I659 PolarHBondContact O-N 3.45Å; E656-I659 PolarHBondContact O-N 3.38Å; I659-S661 VanDerWaalsContact C-N 3.35Å; I659-S661 PolarHBondContact O-N 3.35Å; I659-A662 PolarHBondContact O-N 2.81Å; I659-W663 WeakPolarHBondContact O-CB 3.33Å; I659-W663 PolarHBondContact O-N 2.82Å |
| 660 | I | 93.4 | Very high | 91.7 | Very high | 117 Ų | 117 | 99 Ų | 99 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 178.2 | -68.1 | 163.9 | 0 | 0 | 0 | 110.5 | E656 W663 Y664 | E656-I660 WeakPolarHBondContact O-CB 3.37Å; E656-I660 WeakPolarHBondContact O-CD1 3.45Å; E656-I660 WeakPolarHBondContact O-CG1 3.46Å; E656-I660 PolarHBondContact O-N 2.72Å; I660-W663 PolarHBondContact O-N 2.81Å; I660-Y664 WeakPolarHBondContact O-CB 3.19Å; I660-Y664 PolarHBondContact O-N 2.68Å |
| 661 | S | 94.3 | Very high | 91 | Very high | 60 Ų | 60 | 102.1 Ų | 102.1 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | K657 L658 I659 W663 Y664 N665 | K657-S661 VanDerWaalsContact O-CB 3.31Å; K657-S661 WeakPolarHBondContact O-CB 3.41Å; K657-S661 PolarHBondContact O-N 3.44Å; L658-S661 PolarHBondContact O-N 3.4Å; I659-S661 VanDerWaalsContact C-N 3.35Å; I659-S661 PolarHBondContact O-N 3.35Å; S661-W663 PolarHBondContact O-N 3.31Å; S661-Y664 PolarHBondContact O-N 2.77Å; S661-N665 WeakPolarHBondContact O-CB 3.38Å; S661-N665 VanDerWaalsContact O-CG 3.23Å; S661-N665 PolarHBondContact O-N 3.23Å; S661-N665 PolarHBondContact O-ND2 3.18Å; S661-N665 VanDerWaalsContact O-ND2 3.13Å |
| 662 | A | 92.6 | Very high | 90.5 | Very high | 57 Ų | 57 | 101.5 Ų | 101.5 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L658 I659 N665 M666 | L658-A662 WeakPolarHBondContact O-CB 2.98Å; L658-A662 PolarHBondContact O-N 3.16Å; I659-A662 PolarHBondContact O-N 2.81Å; A662-N665 PolarHBondContact O-N 3.18Å; A662-M666 WeakPolarHBondContact O-CB 3.39Å; A662-M666 PolarHBondContact O-N 2.84Å |
| 663 | W | 91.1 | Very high | 89.7 | Confident | 189 Ų | 189 | 102 Ų | 102 | 72% | 0.716 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 175.9 | -108.1 | 91.6 | 0 | 0 | 0 | 112.6 | I659 I660 S661 M666 G667 | I659-W663 WeakPolarHBondContact O-CB 3.33Å; I659-W663 PolarHBondContact O-N 2.82Å; I660-W663 PolarHBondContact O-N 2.81Å; S661-W663 PolarHBondContact O-N 3.31Å; W663-M666 PolarHBondContact O-N 3.23Å; W663-G667 PolarHBondContact O-N 3.48Å |
| 664 | Y | 92.2 | Very high | 88.8 | Confident | 153 Ų | 153 | 103.3 Ų | 103.3 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 176.2 | 178.8 | -95.7 | 0 | 0 | 0 | 111.5 | I660 S661 M666 G667 M668 | I660-Y664 WeakPolarHBondContact O-CB 3.19Å; I660-Y664 PolarHBondContact O-N 2.68Å; S661-Y664 PolarHBondContact O-N 2.77Å; Y664-M666 VanDerWaalsContact C-N 3.34Å; Y664-M666 PolarHBondContact O-N 3.32Å; Y664-G667 PolarHBondContact O-N 2.95Å; Y664-M668 HydrophobicContact CD1-CG 4.19Å; Y664-M668 HydrophobicContact CE1-CG 3.74Å; Y664-M668 HydrophobicContact CE1-SD 3.96Å; Y664-M668 HydrophobicContact CE2-CG 4.41Å; Y664-M668 WeakPolarHBondContact O-CB 3.12Å; Y664-M668 WeakPolarHBondContact O-CG 3.39Å; Y664-M668 PolarHBondContact O-N 3.04Å |
| 665 | N | 90.7 | Very high | 87.6 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.4 | -71 | -29.8 | 0 | 0 | 0 | 112 | S661 A662 M668 A669 | S661-N665 WeakPolarHBondContact O-CB 3.38Å; S661-N665 VanDerWaalsContact O-CG 3.23Å; S661-N665 PolarHBondContact O-N 3.23Å; S661-N665 PolarHBondContact O-ND2 3.18Å; S661-N665 VanDerWaalsContact O-ND2 3.13Å; A662-N665 PolarHBondContact O-N 3.18Å; N665-M668 PolarHBondContact O-N 2.65Å; N665-A669 WeakPolarHBondContact O-CB 3.23Å; N665-A669 PolarHBondContact O-N 3.25Å |
| 666 | M | 88.6 | Confident | 86.1 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 176 | -171.6 | 137.3 | 64.3 | 0 | 0 | 111.9 | A662 W663 Y664 A669 L670 | A662-M666 WeakPolarHBondContact O-CB 3.39Å; A662-M666 PolarHBondContact O-N 2.84Å; W663-M666 PolarHBondContact O-N 3.23Å; Y664-M666 VanDerWaalsContact C-N 3.34Å; Y664-M666 PolarHBondContact O-N 3.32Å; M666-A669 PolarHBondContact O-N 2.8Å; M666-L670 HydrophobicContact CG-CD1 4.47Å; M666-L670 WeakPolarHBondContact O-CG 3.34Å; M666-L670 PolarHBondContact O-N 3.41Å |
| 667 | G | 89.1 | Confident | 84.5 | Confident | 35 Ų | 35 | 98.3 Ų | 98.3 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W663 Y664 L670 H671 | W663-G667 PolarHBondContact O-N 3.48Å; Y664-G667 PolarHBondContact O-N 2.95Å; G667-L670 PolarHBondContact O-N 3.15Å; G667-H671 WeakPolarHBondContact O-CB 3.35Å; G667-H671 PolarHBondContact O-N 3.28Å |
| 668 | M | 87.9 | Confident | 82.5 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 173.3 | -78.4 | -116.6 | 61.2 | 0 | 0 | 112.2 | Y664 N665 H671 Q672 | Y664-M668 HydrophobicContact CD1-CG 4.19Å; Y664-M668 HydrophobicContact CE1-CG 3.74Å; Y664-M668 HydrophobicContact CE1-SD 3.96Å; Y664-M668 HydrophobicContact CE2-CG 4.41Å; Y664-M668 WeakPolarHBondContact O-CB 3.12Å; Y664-M668 WeakPolarHBondContact O-CG 3.39Å; Y664-M668 PolarHBondContact O-N 3.04Å; N665-M668 PolarHBondContact O-N 2.65Å; M668-H671 PolarHBondContact O-N 2.94Å; M668-Q672 WeakPolarHBondContact O-CB 3.17Å; M668-Q672 WeakPolarHBondContact O-CG 3.23Å; M668-Q672 PolarHBondContact O-N 3.22Å |
| 669 | A | 84.8 | Confident | 80.3 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | N665 M666 Q672 Q673 | N665-A669 WeakPolarHBondContact O-CB 3.23Å; N665-A669 PolarHBondContact O-N 3.25Å; M666-A669 PolarHBondContact O-N 2.8Å; A669-Q672 PolarHBondContact O-N 3.41Å; A669-Q673 WeakPolarHBondContact O-CB 3.32Å; A669-Q673 PolarHBondContact O-N 2.93Å |
| 670 | L | 83.2 | Confident | 78 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.9 | -72.1 | 171.6 | 0 | 0 | 0 | 111.7 | M666 G667 Q672 Q673 V674 | M666-L670 HydrophobicContact CG-CD1 4.47Å; M666-L670 WeakPolarHBondContact O-CG 3.34Å; M666-L670 PolarHBondContact O-N 3.41Å; G667-L670 PolarHBondContact O-N 3.15Å; L670-Q672 VanDerWaalsContact C-N 3.33Å; L670-Q672 PolarHBondContact O-N 2.72Å; L670-Q673 PolarHBondContact O-N 2.67Å; L670-V674 WeakPolarHBondContact O-CG2 3.4Å; L670-V674 PolarHBondContact O-N 3.24Å |
| 671 | H | 80.1 | Confident | 75.7 | Confident | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 176.1 | -170.3 | -70.9 | 0 | 0 | 0 | 111.7 | G667 M668 S675 | G667-H671 WeakPolarHBondContact O-CB 3.35Å; G667-H671 PolarHBondContact O-N 3.28Å; M668-H671 PolarHBondContact O-N 2.94Å; H671-S675 PolarHBondContact CE1-OG 3.29Å; H671-S675 PolarHBondContact ND1-OG 2.82Å; H671-S675 VanDerWaalsContact O-CB 3.28Å; H671-S675 WeakPolarHBondContact O-CB 3.49Å; H671-S675 PolarHBondContact O-N 3.44Å; H671-S675 PolarHBondContact O-OG 3.1Å |
| 672 | Q | 80.8 | Confident | 73.4 | Confident | 129 Ų | 129 | 102.2 Ų | 102.2 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -39 | 174.2 | -74.6 | 176.3 | 12.7 | 0 | 0 | 112 | M668 A669 L670 S675 G676 | M668-Q672 WeakPolarHBondContact O-CB 3.17Å; M668-Q672 WeakPolarHBondContact O-CG 3.23Å; M668-Q672 PolarHBondContact O-N 3.22Å; A669-Q672 PolarHBondContact O-N 3.41Å; L670-Q672 VanDerWaalsContact C-N 3.33Å; L670-Q672 PolarHBondContact O-N 2.72Å; Q672-S675 PolarHBondContact O-N 2.65Å; Q672-G676 PolarHBondContact O-N 2.9Å |
| 673 | Q | 76.2 | Confident | 71 | Confident | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -46.7 | 176.2 | -169.3 | 179.8 | -20 | 0 | 0 | 111.6 | A669 L670 S675 G676 E677 | A669-Q673 WeakPolarHBondContact O-CB 3.32Å; A669-Q673 PolarHBondContact O-N 2.93Å; L670-Q673 PolarHBondContact O-N 2.67Å; Q673-S675 VanDerWaalsContact C-N 3.33Å; Q673-S675 PolarHBondContact O-N 3.49Å; Q673-G676 PolarHBondContact O-N 2.74Å; Q673-E677 WeakPolarHBondContact O-CG 3.22Å; Q673-E677 PolarHBondContact O-N 3.33Å |
| 674 | V | 74.3 | Confident | 69 | Low | 70 Ų | 70 | 106.1 Ų | 106.1 | 42% | 0.424 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.9 | -37 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L670 R678 | L670-V674 WeakPolarHBondContact O-CG2 3.4Å; L670-V674 PolarHBondContact O-N 3.24Å; V674-R678 WeakPolarHBondContact O-CG 3.28Å; V674-R678 PolarHBondContact O-N 3.09Å |
| 675 | S | 69.9 | Low | 66.8 | Low | 46 Ų | 46 | 103.7 Ų | 103.7 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.7 | -36.3 | 176 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | H671 Q672 Q673 R678 L679 | H671-S675 PolarHBondContact CE1-OG 3.29Å; H671-S675 PolarHBondContact ND1-OG 2.82Å; H671-S675 VanDerWaalsContact O-CB 3.28Å; H671-S675 WeakPolarHBondContact O-CB 3.49Å; H671-S675 PolarHBondContact O-N 3.44Å; H671-S675 PolarHBondContact O-OG 3.1Å; Q672-S675 PolarHBondContact O-N 2.65Å; Q673-S675 VanDerWaalsContact C-N 3.33Å; Q673-S675 PolarHBondContact O-N 3.49Å; S675-R678 PolarHBondContact O-N 3.32Å; S675-L679 PolarHBondContact O-N 2.67Å |
| 676 | G | 62.4 | Low | 65.3 | Low | 44 Ų | 44 | 104.7 Ų | 104.7 | 45% | 0.454 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.4 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q672 Q673 R678 L679 G680 | Q672-G676 PolarHBondContact O-N 2.9Å; Q673-G676 PolarHBondContact O-N 2.74Å; G676-R678 PolarHBondContact O-N 2.62Å; G676-L679 PolarHBondContact O-N 3.4Å; G676-G680 PolarHBondContact O-N 3.45Å; G676-G680 VanDerWaalsContact O-N 3.17Å |
| 677 | E | 58.3 | Low | 64.4 | Low | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -26.2 | 174.3 | -78.1 | 176.9 | -179.6 | 0 | 0 | 113 | Q673 | Q673-E677 WeakPolarHBondContact O-CG 3.22Å; Q673-E677 PolarHBondContact O-N 3.33Å |
| 678 | R | 54.5 | Low | 63.2 | Low | 212 Ų | 212 | 108.5 Ų | 108.5 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -83.1 | -15.7 | 176 | -72.8 | -178.9 | -176 | -154.7 | 1.4 | 114.5 | V674 S675 G676 | V674-R678 WeakPolarHBondContact O-CG 3.28Å; V674-R678 PolarHBondContact O-N 3.09Å; S675-R678 PolarHBondContact O-N 3.32Å; G676-R678 PolarHBondContact O-N 2.62Å |
| 679 | L | 48.6 | Very low | 62.1 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 83% | 0.832 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -113.9 | -3.2 | -175.6 | -73.9 | 163.6 | 0 | 0 | 0 | 113.9 | S675 G676 | S675-L679 PolarHBondContact O-N 2.67Å; G676-L679 PolarHBondContact O-N 3.4Å |
| 680 | G | 45.6 | Very low | 61.2 | Low | 42 Ų | 42 | 108.6 Ų | 108.6 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -85.9 | 148 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | G676 | G676-G680 PolarHBondContact O-N 3.45Å; G676-G680 VanDerWaalsContact O-N 3.17Å |
| 681 | P | 45.7 | Very low | 60.5 | Low | 130 Ų | 130 | 109.9 Ų | 109.9 | 84% | 0.844 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -63.6 | 139.5 | 176.3 | 28.1 | -31.5 | 0 | 0 | 0 | 110.1 | N683 | P681-N683 PolarHBondContact O-N 2.67Š|
| 682 | G | 45 | Very low | 59.8 | Low | 76 Ų | 76 | 108.6 Ų | 108.6 | 78% | 0.784 | 61% | 0.605 | S | S | * | * | trans | -36.9 | 126.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q684 | G682-Q684 PolarHBondContact O-N 3.25Š| ||
| 683 | N | 42.8 | Very low | 59.2 | Low | 154 Ų | 154 | 110.6 Ų | 110.6 | 82% | 0.824 | 61% | 0.607 | S | S | * | * | trans | -46.1 | 106.4 | 174.5 | -88.5 | -20.4 | 0 | 0 | 0 | 112.3 | P681 A685 | P681-N683 PolarHBondContact O-N 2.67Å; N683-A685 PolarHBondContact O-N 3.29Å | ||
| 684 | Q | 47.6 | Very low | 58.8 | Low | 175 Ų | 175 | 111.1 Ų | 111.1 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | -66.3 | 121.8 | 145.6 | -77.9 | -179 | -0.5 | 0 | 0 | 107 | G682 M686 | G682-Q684 PolarHBondContact O-N 3.25Å; Q684-M686 PolarHBondContact O-N 3.45Å | ||
| 685 | A | 47.7 | Very low | 58.1 | Low | 102 Ų | 102 | 110.8 Ų | 110.8 | 84% | 0.843 | 61% | 0.61 | S | S | * | * | trans | -56.8 | 103.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | N683 S687 | N683-A685 PolarHBondContact O-N 3.29Å; A685-S687 PolarHBondContact O-N 2.81Å | ||
| 686 | M | 59.5 | Low | 57.6 | Low | 116 Ų | 116 | 112.1 Ų | 112.1 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | trans | -66 | 121.1 | 175.3 | -75.5 | -77.4 | -87.8 | 0 | 0 | 108.6 | Q684 A690 | Q684-M686 PolarHBondContact O-N 3.45Å; M686-A690 HydrophobicContact CE-CB 3.76Å; M686-A690 HydrophobicContact SD-CB 4.25Å | ||
| 687 | S | 68.3 | Low | 57.4 | Low | 75 Ų | 75 | 115 Ų | 115 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | trans | -55.4 | 142.3 | 174.5 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | A685 L689 A690 Q691 | A685-S687 PolarHBondContact O-N 2.81Å; S687-L689 PolarHBondContact O-N 3.33Å; S687-A690 WeakPolarHBondContact O-CA 3.46Å; S687-A690 WeakPolarHBondContact O-CB 3.41Å; S687-A690 PolarHBondContact O-N 2.82Å; S687-Q691 PolarHBondContact O-N 2.95Å | ||
| 688 | F | 64.3 | Low | 57.3 | Low | 154 Ų | 154 | 112 Ų | 112 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -44.9 | -36.3 | 178 | -179 | -98.2 | 0 | 0 | 0 | 113.4 | A690 Q691 Q692 | F688-A690 PolarHBondContact O-N 3.18Å; F688-Q691 PolarHBondContact O-N 2.9Å; F688-Q692 WeakPolarHBondContact O-CB 3.35Å; F688-Q692 PolarHBondContact O-N 3.37Å |
| 689 | L | 65.8 | Low | 57.2 | Low | 98 Ų | 98 | 111.8 Ų | 111.8 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67 | -32.3 | 176.5 | -82.7 | 162.8 | 0 | 0 | 0 | 113.8 | S687 R693 | S687-L689 PolarHBondContact O-N 3.33Å; L689-R693 VanDerWaalsContact O-CG 3.27Å; L689-R693 WeakPolarHBondContact O-CG 3.41Å; L689-R693 PolarHBondContact O-N 3.39Å; L689-R693 VanDerWaalsContact O-N 3.11Å |
| 690 | A | 65.2 | Low | 57.6 | Low | 30 Ų | 30 | 113.9 Ų | 113.9 | 25% | 0.248 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -72.9 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M686 S687 F688 R693 Q694 | M686-A690 HydrophobicContact CE-CB 3.76Å; M686-A690 HydrophobicContact SD-CB 4.25Å; S687-A690 WeakPolarHBondContact O-CA 3.46Å; S687-A690 WeakPolarHBondContact O-CB 3.41Å; S687-A690 PolarHBondContact O-N 2.82Å; F688-A690 PolarHBondContact O-N 3.18Å; A690-R693 PolarHBondContact O-N 3.2Å; A690-Q694 PolarHBondContact O-N 2.78Å; A690-Q694 VanDerWaalsContact O-N 3.15Å |
| 691 | Q | 69.4 | Low | 57.8 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.2 | -39.5 | 174.9 | -156.4 | 168.8 | 15.9 | 0 | 0 | 111.4 | S687 F688 R693 Q694 S695 | S687-Q691 PolarHBondContact O-N 2.95Å; F688-Q691 PolarHBondContact O-N 2.9Å; Q691-R693 PolarHBondContact O-N 3.41Å; Q691-Q694 PolarHBondContact O-N 2.88Å; Q691-S695 PolarHBondContact O-N 2.83Å; Q691-S695 VanDerWaalsContact O-N 3.1Å |
| 692 | Q | 64.5 | Low | 57.9 | Low | 98 Ų | 98 | 116 Ų | 116 | 46% | 0.458 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.9 | -40.5 | 174.3 | -161.3 | 169.8 | 9.6 | 0 | 0 | 111.7 | F688 Q694 S695 T696 | F688-Q692 WeakPolarHBondContact O-CB 3.35Å; F688-Q692 PolarHBondContact O-N 3.37Å; Q692-Q694 PolarHBondContact O-N 3.12Å; Q692-S695 PolarHBondContact O-N 3.3Å; Q692-S695 PolarHBondContact O-OG 2.75Å; Q692-T696 PolarHBondContact O-N 2.95Å; Q692-T696 PolarHBondContact O-OG1 3.35Å |
| 693 | R | 68.6 | Low | 58.1 | Low | 170 Ų | 170 | 118.1 Ų | 118.1 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -38.4 | 176.5 | -73.3 | 175.6 | -154.8 | -142.7 | 6 | 113.3 | L689 A690 Q691 T696 N697 | L689-R693 VanDerWaalsContact O-CG 3.27Å; L689-R693 WeakPolarHBondContact O-CG 3.41Å; L689-R693 PolarHBondContact O-N 3.39Å; L689-R693 VanDerWaalsContact O-N 3.11Å; A690-R693 PolarHBondContact O-N 3.2Å; Q691-R693 PolarHBondContact O-N 3.41Å; R693-T696 WeakPolarHBondContact CA-OG1 3.34Å; R693-T696 PolarHBondContact O-N 3.42Å; R693-T696 PolarHBondContact O-OG1 2.97Å; R693-N697 PolarHBondContact O-N 2.85Å |
| 694 | Q | 67.3 | Low | 58.2 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.9 | -43.2 | 175.6 | -76.7 | -174 | -8.3 | 0 | 0 | 111.9 | A690 Q691 Q692 T696 N697 A698 | A690-Q694 PolarHBondContact O-N 2.78Å; A690-Q694 VanDerWaalsContact O-N 3.15Å; Q691-Q694 PolarHBondContact O-N 2.88Å; Q692-Q694 PolarHBondContact O-N 3.12Å; Q694-T696 VanDerWaalsContact C-N 3.29Å; Q694-T696 PolarHBondContact O-N 3.33Å; Q694-N697 PolarHBondContact O-N 3.06Å; Q694-N697 VanDerWaalsContact O-N 3.16Å; Q694-A698 WeakPolarHBondContact O-CB 3.37Å; Q694-A698 PolarHBondContact O-N 3.3Å |
| 695 | S | 58.8 | Low | 58.2 | Low | 64 Ų | 64 | 121.6 Ų | 121.6 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.2 | -35.4 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | Q691 Q692 R699 | Q691-S695 PolarHBondContact O-N 2.83Å; Q691-S695 VanDerWaalsContact O-N 3.1Å; Q692-S695 PolarHBondContact O-N 3.3Å; Q692-S695 PolarHBondContact O-OG 2.75Å; S695-R699 PolarHBondContact O-N 2.71Å |
| 696 | T | 60.9 | Low | 57.8 | Low | 73 Ų | 73 | 125.6 Ų | 125.6 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.1 | -34 | 174 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | Q692 R693 Q694 R700 | Q692-T696 PolarHBondContact O-N 2.95Å; Q692-T696 PolarHBondContact O-OG1 3.35Å; R693-T696 WeakPolarHBondContact CA-OG1 3.34Å; R693-T696 PolarHBondContact O-N 3.42Å; R693-T696 PolarHBondContact O-OG1 2.97Å; Q694-T696 VanDerWaalsContact C-N 3.29Å; Q694-T696 PolarHBondContact O-N 3.33Å; T696-R700 PolarHBondContact O-N 2.9Å |
| 697 | N | 58.4 | Low | 57.4 | Low | 104 Ų | 104 | 125.9 Ų | 125.9 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.7 | -36.8 | 176.8 | -81.4 | -14.7 | 0 | 0 | 0 | 112.2 | R693 Q694 R699 R700 G701 | R693-N697 PolarHBondContact O-N 2.85Å; Q694-N697 PolarHBondContact O-N 3.06Å; Q694-N697 VanDerWaalsContact O-N 3.16Å; N697-R699 VanDerWaalsContact C-N 3.3Å; N697-R699 PolarHBondContact O-N 3.22Å; N697-R700 PolarHBondContact O-N 3.35Å; N697-R700 VanDerWaalsContact O-N 3.13Å; N697-G701 PolarHBondContact O-N 3.01Å; N697-G701 VanDerWaalsContact O-N 3.12Å |
| 698 | A | 54.3 | Low | 56.1 | Low | 66 Ų | 66 | 137.6 Ų | 137.6 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -61.7 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q694 G701 | Q694-A698 WeakPolarHBondContact O-CB 3.37Å; Q694-A698 PolarHBondContact O-N 3.3Å; A698-G701 PolarHBondContact O-N 3.42Å |
| 699 | R | 54.3 | Low | 55.6 | Low | 207 Ų | 207 | 136.8 Ų | 136.8 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.5 | -29.3 | 173.4 | -76.5 | -175.8 | 175.7 | -171 | -0.5 | 113.8 | S695 N697 | S695-R699 PolarHBondContact O-N 2.71Å; N697-R699 VanDerWaalsContact C-N 3.3Å; N697-R699 PolarHBondContact O-N 3.22Å |
| 700 | R | 56 | Low | 55.1 | Low | 202 Ų | 202 | 138.8 Ų | 138.8 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76 | -25.3 | 174.2 | -79.3 | -176.1 | -178.1 | 175.6 | 0.9 | 113.3 | T696 N697 L702 | T696-R700 PolarHBondContact O-N 2.9Å; N697-R700 PolarHBondContact O-N 3.35Å; N697-R700 VanDerWaalsContact O-N 3.13Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 PolarHBondContact O-N 3.21Å |
| 701 | G | 49.3 | Very low | 54.6 | Low | 60 Ų | 60 | 144.8 Ų | 144.8 | 62% | 0.619 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.8 | -23.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | N697 A698 | N697-G701 PolarHBondContact O-N 3.01Å; N697-G701 VanDerWaalsContact O-N 3.12Å; A698-G701 PolarHBondContact O-N 3.42Å |
| 702 | L | 48.9 | Very low | 53.7 | Low | 156 Ų | 156 | 145.8 Ų | 145.8 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -5.3 | -177.2 | -83.4 | 155.4 | 0 | 0 | 0 | 114.5 | R700 | R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 PolarHBondContact O-N 3.21Å |
| 703 | V | 48.4 | Very low | 53 | Low | 122 Ų | 122 | 148.8 Ų | 148.8 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | trans | -106.5 | 50.7 | 179.8 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 704 | R | 45 | Very low | 52 | Low | 233 Ų | 233 | 147.3 Ų | 147.3 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -121.9 | 75.1 | 163.9 | -135.9 | -179.4 | -170.7 | -172.5 | 2.4 | 109.6 | Q706 | R704-Q706 PolarHBondContact O-N 3.43Š| ||
| 705 | L | 47.4 | Very low | 50.9 | Low | 169 Ų | 169 | 148.9 Ų | 148.9 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | trans | -59.7 | 114.2 | 156.5 | -78.7 | 160 | 0 | 0 | 0 | 107.4 | ||||
| 706 | Q | 38.5 | Very low | 50.3 | Low | 185 Ų | 185 | 155.4 Ų | 155.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -75.3 | 130.5 | 166 | -113.3 | -179.6 | -13 | 0 | 0 | 108.4 | R704 R708 | R704-Q706 PolarHBondContact O-N 3.43Å; Q706-R708 PolarHBondContact O-N 3.31Å | ||
| 707 | P | 52.3 | Low | 49.4 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 103.5 | 170 | 31.7 | -26.1 | 0 | 0 | 0 | 109.8 | ||||
| 708 | R | 39.7 | Very low | 48.6 | Very low | 321 Ų | 321 | 167.5 Ų | 167.5 | 100% | 1.211 | 81% | 0.809 | S | S | * | * | 176 | 0 | 129.5 | -104 | -176.8 | 174.5 | 169.8 | -0.6 | 111.3 | Q706 | Q706-R708 PolarHBondContact O-N 3.31Š|
Retrieved 708 of 708 residues in 334.2 ms
(Link to these results)