| 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 | 76.6 | Confident | 94.6 | Very high | 207 Ų | 207 | 75.9 Ų | 75.9 | 100% | 1.02 | 37% | 0.373 | S | S | * | . | 0 | 136.9 | 0 | -67.5 | -155.1 | -73.7 | 0 | 0 | 107.1 | E6 | M1-E6 HydrophobicContact CB-CG 4.28Å; M1-E6 HydrophobicContact SD-CG 4.48Å | |||
| 2 | S | 95.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 78.5 Ų | 78.5 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | trans | -120.2 | 139.6 | -178.8 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | G4 T5 E6 Q214 | S2-G4 PolarHBondContact O-N 3Å; S2-G4 PolarHBondContact OG-N 2.92Å; S2-T5 PolarHBondContact O-N 3.17Å; S2-E6 PolarHBondContact O-N 3.27Å; S2-Q214 PolarHBondContact OG-OE1 2.95Å | ||
| 3 | W | 98 | Very high | 95.1 | Very high | 46 Ų | 46 | 79 Ų | 79 | 17% | 0.174 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.2 | -35.2 | 173.2 | -68.6 | 4.7 | 0 | 0 | 0 | 111.3 | T5 L7 L14 H17 T18 F213 L216 Q217 E220 | W3-T5 PolarHBondContact O-N 2.94Å; W3-L7 HydrophobicContact CB-CD1 4.2Å; W3-L7 HydrophobicContact CD2-CD1 4.5Å; W3-L7 HydrophobicContact CG-CD1 3.9Å; W3-L7 CarbonylContact O-C 3.54Å; W3-L7 WeakPolarHBondContact O-CA 3.48Å; W3-L7 WeakPolarHBondContact O-CB 3.48Å; W3-L7 PolarHBondContact O-N 3.13Å; W3-L14 HydrophobicContact CD2-CD2 3.89Å; W3-L14 HydrophobicContact CE3-CD1 4.24Å; W3-L14 HydrophobicContact CE3-CD2 3.63Å; W3-L14 HydrophobicContact CG-CD2 4.5Å; W3-L14 HydrophobicContact CH2-CD2 4.2Å; W3-L14 HydrophobicContact CZ2-CD2 4.47Å; W3-L14 HydrophobicContact CZ3-CD2 3.8Å; W3-H17 AromaticContact CH2-CD2 3.94Å; W3-T18 HydrophobicContact CZ3-CG2 4.46Å; W3-F213 HydrophobicContact CB-CB 4.3Å; W3-L216 HydrophobicContact CE3-CB 4.27Å; W3-L216 HydrophobicContact CZ3-CB 4.22Å; W3-Q217 HydrophobicContact CB-CB 4.27Å; W3-Q217 HydrophobicContact CD2-CB 3.66Å; W3-Q217 HydrophobicContact CD2-CG 3.84Å; W3-Q217 HydrophobicContact CE3-CB 3.64Å; W3-Q217 HydrophobicContact CE3-CG 4.27Å; W3-Q217 HydrophobicContact CG-CB 3.93Å; W3-Q217 HydrophobicContact CG-CG 4Å; W3-Q217 HydrophobicContact CZ3-CB 4.29Å; W3-E220 HydrophobicContact CH2-CB 3.59Å; W3-E220 HydrophobicContact CH2-CG 3.62Å; W3-E220 HydrophobicContact CZ2-CB 4.38Å; W3-E220 HydrophobicContact CZ2-CG 4.2Å; W3-E220 HydrophobicContact CZ3-CB 4.1Å |
| 4 | G | 93.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -21.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S2 P210 | S2-G4 PolarHBondContact O-N 3Å; S2-G4 PolarHBondContact OG-N 2.92Å; G4-P210 WeakPolarHBondContact O-CG 3.34Å |
| 5 | T | 94.1 | Very high | 95.6 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -106.9 | -45.8 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 111.8 | S2 W3 | S2-T5 PolarHBondContact O-N 3.17Å; W3-T5 PolarHBondContact O-N 2.94Å |
| 6 | E | 97.4 | Very high | 95.8 | Very high | 118 Ų | 118 | 76.8 Ų | 76.8 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -83 | -23.1 | -172.4 | -56.4 | -58.4 | 154.5 | 0 | 0 | 113 | M1 S2 | M1-E6 HydrophobicContact CB-CG 4.28Å; M1-E6 HydrophobicContact SD-CG 4.48Å; S2-E6 PolarHBondContact O-N 3.27Å |
| 7 | L | 97.7 | Very high | 96 | Very high | 56 Ų | 56 | 76.8 Ų | 76.8 | 29% | 0.293 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 22.2 | -172.5 | -56.4 | 180 | 0 | 0 | 0 | 112.2 | W3 D9 Q10 L14 F213 | W3-L7 HydrophobicContact CB-CD1 4.2Å; W3-L7 HydrophobicContact CD2-CD1 4.5Å; W3-L7 HydrophobicContact CG-CD1 3.9Å; W3-L7 CarbonylContact O-C 3.54Å; W3-L7 WeakPolarHBondContact O-CA 3.48Å; W3-L7 WeakPolarHBondContact O-CB 3.48Å; W3-L7 PolarHBondContact O-N 3.13Å; L7-D9 PolarHBondContact O-N 3.2Å; L7-Q10 HydrophobicContact CB-CB 4.04Å; L7-Q10 HydrophobicContact CB-CG 4.06Å; L7-Q10 HydrophobicContact CD2-CG 4.06Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 PolarHBondContact O-N 3.24Å; L7-L14 HydrophobicContact CD1-CD2 4Å; L7-F213 WeakPolarHBondContact O-CE2 3.28Å |
| 8 | W | 96.4 | Very high | 96.1 | Very high | 124 Ų | 124 | 72.6 Ų | 72.6 | 47% | 0.47 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -25.3 | -172.2 | 67.6 | -88.5 | 0 | 0 | 0 | 114.9 | Y205 I209 | W8-Y205 AromaticContact CE3-CD1 3.58Å; W8-Y205 HydrophobicContact CE3-CD1 3.58Å; W8-Y205 AromaticContact CE3-CE1 3.49Å; W8-Y205 HydrophobicContact CE3-CE1 3.49Å; W8-Y205 VanDerWaalsContact CE3-CE1 3.49Å; W8-Y205 AromaticContact CZ3-CD1 3.91Å; W8-Y205 HydrophobicContact CZ3-CD1 3.91Å; W8-Y205 AromaticContact CZ3-CE1 3.45Å; W8-Y205 HydrophobicContact CZ3-CE1 3.45Å; W8-Y205 VanDerWaalsContact CZ3-CE1 3.45Å; W8-I209 HydrophobicContact CB-CG2 4.4Å |
| 9 | D | 95.6 | Very high | 96.3 | Very high | 92 Ų | 92 | 72.2 Ų | 72.2 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 1.5 | 179.3 | 67.2 | -21.6 | 0 | 0 | 0 | 114 | L7 F11 | L7-D9 PolarHBondContact O-N 3.2Å; D9-F11 PolarHBondContact O-N 3.15Å |
| 10 | Q | 98.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 75.7 Ų | 75.7 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | trans | -98.8 | 31.7 | -171 | -57.6 | -58.8 | -52.3 | 0 | 0 | 114.1 | L7 D12 N13 L14 | L7-Q10 HydrophobicContact CB-CB 4.04Å; L7-Q10 HydrophobicContact CB-CG 4.06Å; L7-Q10 HydrophobicContact CD2-CG 4.06Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 PolarHBondContact O-N 3.24Å; Q10-D12 PolarHBondContact O-N 3.39Å; Q10-N13 HydrophobicContact CB-CB 4.37Å; Q10-N13 PolarHBondContact O-N 3.13Å; Q10-N13 VanDerWaalsContact O-N 3.11Å; Q10-N13 PolarHBondContact OE1-ND2 3.16Å; Q10-L14 PolarHBondContact O-N 3.27Å | ||
| 11 | F | 97.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -49.7 | -51.1 | -174.8 | -167.6 | -91.2 | 0 | 0 | 0 | 113.4 | D9 N13 L14 E15 F117 R121 F213 | D9-F11 PolarHBondContact O-N 3.15Å; F11-N13 VanDerWaalsContact C-N 3.34Å; F11-N13 PolarHBondContact O-N 3.33Å; F11-L14 PolarHBondContact O-N 3.2Å; F11-E15 PolarHBondContact O-N 3.02Å; F11-F117 HydrophobicContact CD1-CD1 4.48Å; F11-F117 AromaticContact CE1-CD1 3.72Å; F11-F117 HydrophobicContact CE1-CD1 3.72Å; F11-F117 HydrophobicContact CE1-CE1 4.23Å; F11-F117 HydrophobicContact CE2-CD1 4.07Å; F11-F117 HydrophobicContact CE2-CE1 4.41Å; F11-F117 AromaticContact CZ-CD1 3.48Å; F11-F117 HydrophobicContact CZ-CD1 3.48Å; F11-F117 VanDerWaalsContact CZ-CD1 3.48Å; F11-F117 HydrophobicContact CZ-CE1 4.15Å; F11-F117 HydrophobicContact CZ-CG 4.48Å; F11-R121 HydrophobicContact CE1-CG 4.1Å; F11-R121 HydrophobicContact CZ-CG 4.02Å; F11-F213 HydrophobicContact CB-CZ 4.22Å; F11-F213 AromaticContact CD2-CE1 3.63Å; F11-F213 HydrophobicContact CD2-CE1 3.63Å; F11-F213 AromaticContact CD2-CZ 3.79Å; F11-F213 HydrophobicContact CD2-CZ 3.79Å; F11-F213 HydrophobicContact CE2-CE1 4.14Å; F11-F213 HydrophobicContact CG-CZ 4.48Å |
| 12 | D | 97.6 | Very high | 97.5 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.2 | -33.2 | -177.1 | -62.2 | -25.8 | 0 | 0 | 0 | 112.8 | Q10 E15 K16 | Q10-D12 PolarHBondContact O-N 3.39Å; D12-E15 PolarHBondContact O-N 3.22Å; D12-K16 WeakPolarHBondContact O-CG 3.26Å; D12-K16 PolarHBondContact O-N 3.27Å |
| 13 | N | 98.5 | Very high | 97.7 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 178.3 | -73.8 | -32.3 | 0 | 0 | 0 | 110.9 | Q10 F11 E15 K16 H17 | Q10-N13 HydrophobicContact CB-CB 4.37Å; Q10-N13 PolarHBondContact O-N 3.13Å; Q10-N13 VanDerWaalsContact O-N 3.11Å; Q10-N13 PolarHBondContact OE1-ND2 3.16Å; F11-N13 VanDerWaalsContact C-N 3.34Å; F11-N13 PolarHBondContact O-N 3.33Å; N13-E15 VanDerWaalsContact C-N 3.31Å; N13-K16 PolarHBondContact O-N 2.54Å; N13-H17 VanDerWaalsContact O-CB 3.29Å; N13-H17 WeakPolarHBondContact O-CB 3.46Å; N13-H17 PolarHBondContact O-N 3.29Å |
| 14 | L | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 170.7 | -67.3 | -179.7 | 0 | 0 | 0 | 111.6 | W3 L7 Q10 F11 H17 T18 F117 F213 | W3-L14 HydrophobicContact CD2-CD2 3.89Å; W3-L14 HydrophobicContact CE3-CD1 4.24Å; W3-L14 HydrophobicContact CE3-CD2 3.63Å; W3-L14 HydrophobicContact CG-CD2 4.5Å; W3-L14 HydrophobicContact CH2-CD2 4.2Å; W3-L14 HydrophobicContact CZ2-CD2 4.47Å; W3-L14 HydrophobicContact CZ3-CD2 3.8Å; L7-L14 HydrophobicContact CD1-CD2 4Å; Q10-L14 PolarHBondContact O-N 3.27Å; F11-L14 PolarHBondContact O-N 3.2Å; L14-H17 PolarHBondContact O-N 2.83Å; L14-T18 WeakPolarHBondContact O-CB 3.47Å; L14-T18 WeakPolarHBondContact O-CG2 3.47Å; L14-T18 PolarHBondContact O-N 3.48Å; L14-T18 PolarHBondContact O-OG1 2.91Å; L14-F117 HydrophobicContact CB-CZ 4.36Å; L14-F213 HydrophobicContact CD1-CD1 4.16Å; L14-F213 HydrophobicContact CD1-CD2 3.69Å; L14-F213 HydrophobicContact CD1-CE1 4.12Å; L14-F213 HydrophobicContact CD1-CE2 3.68Å; L14-F213 HydrophobicContact CD1-CG 3.94Å; L14-F213 HydrophobicContact CD1-CZ 3.89Å |
| 15 | E | 98.6 | Very high | 98 | Very high | 50 Ų | 50 | 67 Ų | 67 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.3 | -166.6 | 168.5 | -172.6 | 0 | 0 | 111.2 | F11 D12 N13 T18 Q19 R113 F117 R121 | F11-E15 PolarHBondContact O-N 3.02Å; D12-E15 PolarHBondContact O-N 3.22Å; N13-E15 VanDerWaalsContact C-N 3.31Å; E15-T18 PolarHBondContact O-OG1 3.18Å; E15-T18 VanDerWaalsContact O-OG1 3.1Å; E15-Q19 WeakPolarHBondContact O-CB 3.15Å; E15-Q19 PolarHBondContact O-N 3.27Å; E15-Q19 VanDerWaalsContact O-N 3.12Å; E15-R113 PolarHBondContact O-NH2 3.4Å; E15-R113 IonicContact OE1-NH2 3.44Å; E15-F117 HydrophobicContact CB-CD1 4.1Å; E15-F117 HydrophobicContact CB-CE1 3.52Å; E15-F117 HydrophobicContact CB-CZ 3.8Å; E15-F117 HydrophobicContact CG-CD1 4.11Å; E15-F117 HydrophobicContact CG-CE1 3.96Å; E15-F117 HydrophobicContact CG-CE2 4.41Å; E15-F117 HydrophobicContact CG-CG 4.46Å; E15-F117 HydrophobicContact CG-CZ 4.15Å; E15-R121 IonicContact OE1-CZ 3.41Å; E15-R121 IonicContact OE1-NH2 2.93Å; E15-R121 PolarHBondContact OE1-NH2 3.36Å; E15-R121 IonicContact OE2-NH2 3.62Å; E15-R121 PolarHBondContact OE2-NH2 3.37Å |
| 16 | K | 98.7 | Very high | 98.2 | Very high | 143 Ų | 143 | 66.2 Ų | 66.2 | 62% | 0.622 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 176.2 | -69.2 | 169.7 | -173.4 | 171.2 | 0 | 112.4 | D12 N13 Q19 W20 | D12-K16 WeakPolarHBondContact O-CG 3.26Å; D12-K16 PolarHBondContact O-N 3.27Å; N13-K16 PolarHBondContact O-N 2.54Å; K16-Q19 PolarHBondContact O-N 3.33Å; K16-W20 WeakPolarHBondContact O-CB 3.48Å; K16-W20 PolarHBondContact O-N 3.05Å |
| 17 | H | 98.8 | Very high | 98.3 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | -178.1 | -178.4 | 67.2 | 0 | 0 | 0 | 112.2 | W3 N13 L14 Q19 W20 G21 E220 | W3-H17 AromaticContact CH2-CD2 3.94Å; N13-H17 VanDerWaalsContact O-CB 3.29Å; N13-H17 WeakPolarHBondContact O-CB 3.46Å; N13-H17 PolarHBondContact O-N 3.29Å; L14-H17 PolarHBondContact O-N 2.83Å; H17-Q19 VanDerWaalsContact C-N 3.31Å; H17-Q19 PolarHBondContact O-N 3.47Å; H17-W20 WeakPolarHBondContact O-CB 3.47Å; H17-W20 PolarHBondContact O-N 3.4Å; H17-G21 PolarHBondContact O-N 3.33Å; H17-E220 IonicContact CD2-OE1 2.68Å; H17-E220 PolarHBondContact CD2-OE1 3.31Å; H17-E220 VanDerWaalsContact CD2-OE1 3.3Å; H17-E220 IonicContact NE2-OE1 3.85Å; H17-E220 PolarHBondContact NE2-OE1 2.95Å |
| 18 | T | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.4 | -32.2 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | W3 L14 E15 G21 I22 R113 F117 M219 | W3-T18 HydrophobicContact CZ3-CG2 4.46Å; L14-T18 WeakPolarHBondContact O-CB 3.47Å; L14-T18 WeakPolarHBondContact O-CG2 3.47Å; L14-T18 PolarHBondContact O-N 3.48Å; L14-T18 PolarHBondContact O-OG1 2.91Å; E15-T18 PolarHBondContact O-OG1 3.18Å; E15-T18 VanDerWaalsContact O-OG1 3.1Å; T18-G21 PolarHBondContact O-N 2.93Å; T18-I22 PolarHBondContact O-N 3.39Å; T18-I22 VanDerWaalsContact O-N 3.16Å; T18-R113 PolarHBondContact OG1-NE 2.87Å; T18-F117 WeakPolarHBondContact OG1-CE2 3.45Å; T18-M219 HydrophobicContact CG2-CE 3.94Å |
| 19 | Q | 98.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 172.7 | -177.1 | 55.6 | 44.4 | 0 | 0 | 111.3 | E15 K16 H17 G21 I22 E23 | E15-Q19 WeakPolarHBondContact O-CB 3.15Å; E15-Q19 PolarHBondContact O-N 3.27Å; E15-Q19 VanDerWaalsContact O-N 3.12Å; K16-Q19 PolarHBondContact O-N 3.33Å; H17-Q19 VanDerWaalsContact C-N 3.31Å; H17-Q19 PolarHBondContact O-N 3.47Å; Q19-G21 PolarHBondContact O-N 3.39Å; Q19-I22 WeakPolarHBondContact O-CB 3.37Å; Q19-I22 PolarHBondContact O-N 3.32Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.26Å |
| 20 | W | 98.7 | Very high | 98.6 | Very high | 143 Ų | 143 | 63.2 Ų | 63.2 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 173.9 | 175.1 | 79.7 | 0 | 0 | 0 | 112 | K16 H17 I22 E23 F24 | K16-W20 WeakPolarHBondContact O-CB 3.48Å; K16-W20 PolarHBondContact O-N 3.05Å; H17-W20 WeakPolarHBondContact O-CB 3.47Å; H17-W20 PolarHBondContact O-N 3.4Å; W20-I22 VanDerWaalsContact C-N 3.31Å; W20-I22 PolarHBondContact O-N 2.97Å; W20-E23 PolarHBondContact O-N 3.29Å; W20-F24 PolarHBondContact O-N 3.2Å |
| 21 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | H17 T18 Q19 V25 | H17-G21 PolarHBondContact O-N 3.33Å; T18-G21 PolarHBondContact O-N 2.93Å; Q19-G21 PolarHBondContact O-N 3.39Å; G21-V25 VanDerWaalsContact O-CG2 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.47Å; G21-V25 PolarHBondContact O-N 3.05Å |
| 22 | I | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -47.7 | 175.5 | -70.1 | 167.4 | 0 | 0 | 0 | 111.2 | T18 Q19 W20 F24 V25 E26 L106 L109 K110 R113 | T18-I22 PolarHBondContact O-N 3.39Å; T18-I22 VanDerWaalsContact O-N 3.16Å; Q19-I22 WeakPolarHBondContact O-CB 3.37Å; Q19-I22 PolarHBondContact O-N 3.32Å; W20-I22 VanDerWaalsContact C-N 3.31Å; W20-I22 PolarHBondContact O-N 2.97Å; I22-F24 PolarHBondContact O-N 3.03Å; I22-V25 WeakPolarHBondContact O-CB 3.46Å; I22-V25 PolarHBondContact O-N 3.32Å; I22-E26 HydrophobicContact CG2-CG 4.48Å; I22-E26 PolarHBondContact O-N 3.29Å; I22-L106 HydrophobicContact CG2-CD2 4.02Å; I22-L109 HydrophobicContact CD1-CG 4.42Å; I22-L109 HydrophobicContact CG1-CD2 3.77Å; I22-L109 HydrophobicContact CG1-CG 4.12Å; I22-K110 HydrophobicContact CD1-CG 4.03Å; I22-K110 HydrophobicContact CG2-CG 4.14Å; I22-R113 HydrophobicContact CD1-CB 4.5Å; I22-R113 VanDerWaalsContact CD1-CD 3.42Å |
| 23 | E | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58 | -37.7 | 178.6 | -70.5 | 169.2 | -168.5 | 0 | 0 | 111.8 | Q19 W20 E26 K27 | Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.26Å; W20-E23 PolarHBondContact O-N 3.29Å; E23-E26 PolarHBondContact O-N 3.49Å; E23-K27 WeakPolarHBondContact O-CB 3.45Å; E23-K27 PolarHBondContact O-N 3.25Å |
| 24 | F | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 174 | -178.5 | -89 | 0 | 0 | 0 | 112.1 | W20 I22 E26 K27 Y28 I227 M231 | W20-F24 PolarHBondContact O-N 3.2Å; I22-F24 PolarHBondContact O-N 3.03Å; F24-E26 VanDerWaalsContact C-N 3.33Å; F24-E26 PolarHBondContact O-N 2.85Å; F24-K27 PolarHBondContact O-N 3.38Å; F24-Y28 PolarHBondContact O-N 2.77Å; F24-I227 HydrophobicContact CE1-CG2 4.07Å; F24-M231 HydrophobicContact CE1-CE 4.15Å; F24-M231 HydrophobicContact CZ-CE 4.06Å |
| 25 | V | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | G21 I22 Y28 N29 L102 L106 R223 I227 | G21-V25 VanDerWaalsContact O-CG2 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.47Å; G21-V25 PolarHBondContact O-N 3.05Å; I22-V25 WeakPolarHBondContact O-CB 3.46Å; I22-V25 PolarHBondContact O-N 3.32Å; V25-Y28 PolarHBondContact O-N 3.47Å; V25-N29 VanDerWaalsContact O-CB 3.28Å; V25-N29 WeakPolarHBondContact O-CB 3.32Å; V25-N29 PolarHBondContact O-N 3.25Å; V25-L102 HydrophobicContact CG1-CD2 4.3Å; V25-L106 HydrophobicContact CB-CD2 3.82Å; V25-L106 HydrophobicContact CB-CG 4.46Å; V25-L106 HydrophobicContact CG1-CD1 4.03Å; V25-L106 HydrophobicContact CG1-CD2 3.55Å; V25-L106 HydrophobicContact CG1-CG 3.66Å; V25-R223 HydrophobicContact CG2-CG 4.03Å; V25-I227 HydrophobicContact CB-CD1 4.31Å; V25-I227 HydrophobicContact CG1-CD1 4.07Å; V25-I227 HydrophobicContact CG2-CD1 3.9Å; V25-I227 HydrophobicContact CG2-CG1 3.7Å |
| 26 | E | 98.7 | Very high | 98.7 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.1 | -70 | 177.1 | 160.7 | 0 | 0 | 112.2 | I22 E23 F24 Y28 N29 K30 L106 K110 | I22-E26 HydrophobicContact CG2-CG 4.48Å; I22-E26 PolarHBondContact O-N 3.29Å; E23-E26 PolarHBondContact O-N 3.49Å; F24-E26 VanDerWaalsContact C-N 3.33Å; F24-E26 PolarHBondContact O-N 2.85Å; E26-Y28 PolarHBondContact O-N 3.01Å; E26-N29 PolarHBondContact O-N 3.47Å; E26-K30 WeakPolarHBondContact O-CB 3.46Å; E26-K30 PolarHBondContact O-N 3.22Å; E26-L106 HydrophobicContact CG-CD1 3.86Å; E26-L106 HydrophobicContact CG-CD2 3.88Å; E26-K110 WeakPolarHBondContact OE1-CE 3.49Å; E26-K110 IonicContact OE1-NZ 2.87Å; E26-K110 PolarHBondContact OE1-NZ 3.43Å |
| 27 | K | 98.8 | Very high | 98.7 | Very high | 160 Ų | 160 | 62 Ų | 62 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 176.1 | -178.3 | 179.2 | 179.3 | 178.3 | 0 | 111.6 | E23 F24 K30 F31 | E23-K27 WeakPolarHBondContact O-CB 3.45Å; E23-K27 PolarHBondContact O-N 3.25Å; F24-K27 PolarHBondContact O-N 3.38Å; K27-K30 PolarHBondContact O-N 2.9Å; K27-F31 PolarHBondContact O-N 3.26Å |
| 28 | Y | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.5 | -178.9 | -104.7 | 0 | 0 | 0 | 111.7 | F24 V25 E26 K30 F31 V32 I98 L102 I227 C230 M231 | F24-Y28 PolarHBondContact O-N 2.77Å; V25-Y28 PolarHBondContact O-N 3.47Å; E26-Y28 PolarHBondContact O-N 3.01Å; Y28-K30 VanDerWaalsContact C-N 3.34Å; Y28-K30 PolarHBondContact O-N 3.19Å; Y28-F31 HydrophobicContact CD2-CD1 4.21Å; Y28-F31 HydrophobicContact CE2-CD1 4.12Å; Y28-F31 HydrophobicContact CE2-CE1 4.44Å; Y28-F31 WeakPolarHBondContact O-CB 3.49Å; Y28-F31 PolarHBondContact O-N 2.59Å; Y28-V32 HydrophobicContact CD1-CG2 4.3Å; Y28-V32 HydrophobicContact CE1-CG2 3.79Å; Y28-V32 HydrophobicContact CE2-CG2 4.15Å; Y28-V32 WeakPolarHBondContact O-CG2 3.21Å; Y28-V32 PolarHBondContact O-N 2.94Å; Y28-I98 HydrophobicContact CE1-CG2 4.24Å; Y28-L102 HydrophobicContact CD1-CD1 3.67Å; Y28-L102 HydrophobicContact CE1-CD1 3.89Å; Y28-I227 HydrophobicContact CD1-CD1 3.87Å; Y28-I227 HydrophobicContact CG-CD1 4.47Å; Y28-C230 HydrophobicContact CE1-CB 4.05Å; Y28-M231 HydrophobicContact CD2-CE 3.8Å; Y28-M231 HydrophobicContact CE1-CG 4.33Å; Y28-M231 HydrophobicContact CE2-CE 3.84Å; Y28-M231 HydrophobicContact CE2-CG 3.81Å; Y28-M231 HydrophobicContact CG-CE 4.4Å; Y28-M231 WeakPolarHBondContact OH-CA 3.33Å |
| 29 | N | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 177.1 | -166.9 | 39.3 | 0 | 0 | 0 | 111.6 | V25 E26 V32 K33 F99 L102 T103 L106 | V25-N29 VanDerWaalsContact O-CB 3.28Å; V25-N29 WeakPolarHBondContact O-CB 3.32Å; V25-N29 PolarHBondContact O-N 3.25Å; E26-N29 PolarHBondContact O-N 3.47Å; N29-V32 PolarHBondContact O-N 2.95Å; N29-K33 PolarHBondContact O-N 3.33Å; N29-F99 VanDerWaalsContact OD1-CA 3.29Å; N29-F99 WeakPolarHBondContact OD1-CA 2.89Å; N29-F99 WeakPolarHBondContact OD1-CD2 3Å; N29-F99 PolarHBondContact OD1-O 3.33Å; N29-F99 VanDerWaalsContact OD1-O 3.11Å; N29-L102 HydrophobicContact CB-CB 4.42Å; N29-T103 PolarHBondContact ND2-OG1 3.37Å; N29-L106 HydrophobicContact CB-CD1 4.48Å |
| 30 | K | 98.7 | Very high | 98.7 | Very high | 131 Ų | 131 | 64.8 Ų | 64.8 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 174.3 | -176.9 | 174.2 | 176.7 | 175.8 | 0 | 112.2 | E26 K27 Y28 V32 K33 E34 | E26-K30 WeakPolarHBondContact O-CB 3.46Å; E26-K30 PolarHBondContact O-N 3.22Å; K27-K30 PolarHBondContact O-N 2.9Å; Y28-K30 VanDerWaalsContact C-N 3.34Å; Y28-K30 PolarHBondContact O-N 3.19Å; K30-V32 VanDerWaalsContact C-N 3.34Å; K30-V32 PolarHBondContact O-N 3.08Å; K30-K33 WeakPolarHBondContact O-CB 3.44Å; K30-K33 PolarHBondContact O-N 3.35Å; K30-E34 WeakPolarHBondContact CE-OE1 3.49Å; K30-E34 PolarHBondContact O-N 3.36Å |
| 31 | F | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 45% | 0.447 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 175.3 | 163.1 | -98.6 | 0 | 0 | 0 | 112.2 | K27 Y28 K33 E34 R35 F234 | K27-F31 PolarHBondContact O-N 3.26Å; Y28-F31 HydrophobicContact CD2-CD1 4.21Å; Y28-F31 HydrophobicContact CE2-CD1 4.12Å; Y28-F31 HydrophobicContact CE2-CE1 4.44Å; Y28-F31 WeakPolarHBondContact O-CB 3.49Å; Y28-F31 PolarHBondContact O-N 2.59Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 3.13Å; F31-E34 PolarHBondContact O-N 3.43Å; F31-R35 VanDerWaalsContact O-CB 3.31Å; F31-R35 WeakPolarHBondContact O-CB 3.38Å; F31-R35 PolarHBondContact O-N 3.39Å; F31-F234 AromaticContact CE1-CE2 3.86Å; F31-F234 HydrophobicContact CE1-CE2 3.86Å; F31-F234 AromaticContact CE1-CZ 3.86Å; F31-F234 HydrophobicContact CE1-CZ 3.86Å; F31-F234 HydrophobicContact CZ-CZ 4.12Å |
| 32 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 178.6 | 177 | 0 | 0 | 0 | 0 | 111.4 | Y28 N29 K30 R35 S36 L94 I98 F234 | Y28-V32 HydrophobicContact CD1-CG2 4.3Å; Y28-V32 HydrophobicContact CE1-CG2 3.79Å; Y28-V32 HydrophobicContact CE2-CG2 4.15Å; Y28-V32 WeakPolarHBondContact O-CG2 3.21Å; Y28-V32 PolarHBondContact O-N 2.94Å; N29-V32 PolarHBondContact O-N 2.95Å; K30-V32 VanDerWaalsContact C-N 3.34Å; K30-V32 PolarHBondContact O-N 3.08Å; V32-R35 WeakPolarHBondContact O-CB 3.41Å; V32-R35 PolarHBondContact O-N 3.29Å; V32-S36 PolarHBondContact O-N 3Å; V32-L94 HydrophobicContact CG1-CB 4.18Å; V32-I98 HydrophobicContact CB-CG2 4.36Å; V32-I98 HydrophobicContact CG1-CB 4.05Å; V32-I98 HydrophobicContact CG1-CG2 3.94Å; V32-I98 HydrophobicContact CG2-CG2 4.02Å; V32-F234 HydrophobicContact CG1-CD2 4.47Å; V32-F234 HydrophobicContact CG2-CD2 3.96Å; V32-F234 HydrophobicContact CG2-CE2 4.13Å |
| 33 | K | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59 | -55 | 173.7 | -169.9 | -172.1 | 177.9 | -175 | 0 | 111.5 | N29 K30 F31 R35 S36 E37 F99 | N29-K33 PolarHBondContact O-N 3.33Å; K30-K33 WeakPolarHBondContact O-CB 3.44Å; K30-K33 PolarHBondContact O-N 3.35Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 3.13Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 2.76Å; K33-S36 WeakPolarHBondContact O-CB 3.46Å; K33-S36 PolarHBondContact O-N 2.97Å; K33-S36 PolarHBondContact O-OG 3.49Å; K33-E37 VanDerWaalsContact CE-OE1 3.28Å; K33-E37 WeakPolarHBondContact CE-OE1 3.27Å; K33-E37 WeakPolarHBondContact O-CG 3.43Å; K33-E37 PolarHBondContact O-N 3.37Å; K33-F99 HydrophobicContact CB-CD2 3.73Å; K33-F99 HydrophobicContact CB-CE2 3.85Å; K33-F99 HydrophobicContact CB-CG 4.36Å; K33-F99 HydrophobicContact CD-CD2 4.47Å; K33-F99 HydrophobicContact CD-CE2 3.79Å; K33-F99 HydrophobicContact CD-CZ 3.83Å; K33-F99 HydrophobicContact CG-CD2 4.21Å; K33-F99 HydrophobicContact CG-CE2 4.02Å; K33-F99 HydrophobicContact CG-CZ 4.26Å |
| 34 | E | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 179.5 | -69.8 | 175.5 | -171.4 | 0 | 0 | 111.6 | K30 F31 S36 E37 I38 | K30-E34 WeakPolarHBondContact CE-OE1 3.49Å; K30-E34 PolarHBondContact O-N 3.36Å; F31-E34 PolarHBondContact O-N 3.43Å; E34-S36 VanDerWaalsContact C-N 3.33Å; E34-S36 PolarHBondContact O-N 3.12Å; E34-E37 PolarHBondContact O-N 3.27Å; E34-I38 WeakPolarHBondContact O-CG1 3.44Å; E34-I38 PolarHBondContact O-N 2.79Å |
| 35 | R | 98.6 | Very high | 98.7 | Very high | 53 Ų | 53 | 69.6 Ų | 69.6 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 173.5 | 175.4 | 74.9 | -177 | 94.9 | 6.5 | 112.2 | F31 V32 K33 I38 E39 L94 F234 D238 | F31-R35 VanDerWaalsContact O-CB 3.31Å; F31-R35 WeakPolarHBondContact O-CB 3.38Å; F31-R35 PolarHBondContact O-N 3.39Å; V32-R35 WeakPolarHBondContact O-CB 3.41Å; V32-R35 PolarHBondContact O-N 3.29Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 2.76Å; R35-I38 PolarHBondContact O-N 3.36Å; R35-E39 IonicContact CZ-OE1 3.3Å; R35-E39 VanDerWaalsContact NH1-CD 3.26Å; R35-E39 IonicContact NH1-OE1 2.58Å; R35-E39 PolarHBondContact NH1-OE1 2.87Å; R35-E39 IonicContact NH2-OE1 3.75Å; R35-E39 PolarHBondContact NH2-OE1 3.48Å; R35-E39 PolarHBondContact O-N 3.36Å; R35-L94 HydrophobicContact CG-CD1 3.85Å; R35-F234 HydrophobicContact CB-CE2 4.36Å; R35-F234 HydrophobicContact CG-CE2 3.84Å; R35-F234 HydrophobicContact CG-CZ 3.72Å; R35-D238 IonicContact NH2-OD1 3.21Å; R35-D238 IonicContact NH2-OD2 3.3Å |
| 36 | S | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 178.7 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | V32 K33 E34 I38 E39 I40 A91 T95 | V32-S36 PolarHBondContact O-N 3Å; K33-S36 WeakPolarHBondContact O-CB 3.46Å; K33-S36 PolarHBondContact O-N 2.97Å; K33-S36 PolarHBondContact O-OG 3.49Å; E34-S36 VanDerWaalsContact C-N 3.33Å; E34-S36 PolarHBondContact O-N 3.12Å; S36-I38 VanDerWaalsContact C-N 3.34Å; S36-I38 PolarHBondContact O-N 2.98Å; S36-E39 WeakPolarHBondContact O-CB 3.2Å; S36-E39 PolarHBondContact O-N 3.49Å; S36-I40 WeakPolarHBondContact O-CG1 3.45Å; S36-I40 PolarHBondContact O-N 3.47Å; S36-A91 WeakPolarHBondContact O-CB 3.31Å; S36-T95 PolarHBondContact OG-OG1 3.1Å |
| 37 | E | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.2 | -68.6 | 169.9 | -176.1 | 0 | 0 | 111.8 | K33 E34 E39 I40 N41 | K33-E37 VanDerWaalsContact CE-OE1 3.28Å; K33-E37 WeakPolarHBondContact CE-OE1 3.27Å; K33-E37 WeakPolarHBondContact O-CG 3.43Å; K33-E37 PolarHBondContact O-N 3.37Å; E34-E37 PolarHBondContact O-N 3.27Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.49Å; E37-I40 PolarHBondContact O-N 3.31Å; E37-N41 WeakPolarHBondContact O-CB 3.26Å; E37-N41 PolarHBondContact O-N 3.32Å |
| 38 | I | 98.8 | Very high | 98.5 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 55% | 0.554 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 173.5 | -68.4 | 166 | 0 | 0 | 0 | 110.8 | E34 R35 S36 N41 Y42 | E34-I38 WeakPolarHBondContact O-CG1 3.44Å; E34-I38 PolarHBondContact O-N 2.79Å; R35-I38 PolarHBondContact O-N 3.36Å; S36-I38 VanDerWaalsContact C-N 3.34Å; S36-I38 PolarHBondContact O-N 2.98Å; I38-N41 PolarHBondContact O-N 2.94Å; I38-Y42 WeakPolarHBondContact O-CB 3.33Å; I38-Y42 PolarHBondContact O-N 2.83Å |
| 39 | E | 98.5 | Very high | 98.5 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 7% | 0.065 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 177.9 | -76.2 | -58.4 | 159.6 | 0 | 0 | 112.6 | R35 S36 E37 N41 Y42 A43 H87 I90 A91 | R35-E39 IonicContact CZ-OE1 3.3Å; R35-E39 VanDerWaalsContact NH1-CD 3.26Å; R35-E39 IonicContact NH1-OE1 2.58Å; R35-E39 PolarHBondContact NH1-OE1 2.87Å; R35-E39 IonicContact NH2-OE1 3.75Å; R35-E39 PolarHBondContact NH2-OE1 3.48Å; R35-E39 PolarHBondContact O-N 3.36Å; S36-E39 WeakPolarHBondContact O-CB 3.2Å; S36-E39 PolarHBondContact O-N 3.49Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.49Å; E39-N41 VanDerWaalsContact C-N 3.28Å; E39-N41 PolarHBondContact O-N 3.42Å; E39-Y42 PolarHBondContact O-N 3.36Å; E39-A43 WeakPolarHBondContact O-CB 3.31Å; E39-A43 PolarHBondContact O-N 3.11Å; E39-H87 IonicContact OE1-ND1 3.74Å; E39-H87 IonicContact OE2-CE1 3.95Å; E39-H87 IonicContact OE2-CG 3.64Å; E39-H87 IonicContact OE2-ND1 3.81Å; E39-H87 PolarHBondContact OE2-ND1 3.24Å; E39-I90 HydrophobicContact CG-CG2 3.98Å; E39-A91 HydrophobicContact CB-CB 3.81Å |
| 40 | I | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 41% | 0.41 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 176.5 | -68.4 | 168.3 | 0 | 0 | 0 | 110.2 | S36 E37 Y42 A43 K44 A91 | S36-I40 WeakPolarHBondContact O-CG1 3.45Å; S36-I40 PolarHBondContact O-N 3.47Å; E37-I40 PolarHBondContact O-N 3.31Å; I40-Y42 PolarHBondContact O-N 2.91Å; I40-A43 PolarHBondContact O-N 3.42Å; I40-K44 VanDerWaalsContact O-CB 3.29Å; I40-K44 WeakPolarHBondContact O-CB 3.47Å; I40-K44 PolarHBondContact O-N 2.87Å; I40-A91 HydrophobicContact CD1-CB 4.04Å; I40-A91 HydrophobicContact CG1-CB 3.44Å; I40-A91 VanDerWaalsContact CG1-CB 3.44Å |
| 41 | N | 98.6 | Very high | 98.2 | Very high | 88 Ų | 88 | 68.3 Ų | 68.3 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | -179.9 | -174.5 | 41.6 | 0 | 0 | 0 | 112.2 | E37 I38 E39 Q45 | E37-N41 WeakPolarHBondContact O-CB 3.26Å; E37-N41 PolarHBondContact O-N 3.32Å; I38-N41 PolarHBondContact O-N 2.94Å; E39-N41 VanDerWaalsContact C-N 3.28Å; E39-N41 PolarHBondContact O-N 3.42Å; N41-Q45 PolarHBondContact ND2-NE2 2.66Å; N41-Q45 WeakPolarHBondContact O-CG 3.41Å; N41-Q45 PolarHBondContact O-N 3.21Å; N41-Q45 VanDerWaalsContact O-N 3.09Å; N41-Q45 PolarHBondContact O-NE2 3.43Å |
| 42 | Y | 98.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 70.8 Ų | 70.8 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -49 | 176.1 | 179 | -120.2 | 0 | 0 | 0 | 111.8 | I38 E39 I40 K44 Q45 I46 Y83 H87 | I38-Y42 WeakPolarHBondContact O-CB 3.33Å; I38-Y42 PolarHBondContact O-N 2.83Å; E39-Y42 PolarHBondContact O-N 3.36Å; I40-Y42 PolarHBondContact O-N 2.91Å; Y42-K44 VanDerWaalsContact C-N 3.32Å; Y42-K44 PolarHBondContact O-N 3.46Å; Y42-Q45 PolarHBondContact O-N 2.79Å; Y42-Q45 VanDerWaalsContact O-N 3.17Å; Y42-I46 HydrophobicContact CD1-CD1 3.9Å; Y42-I46 HydrophobicContact CD2-CD1 4.16Å; Y42-I46 HydrophobicContact CD2-CG1 4.5Å; Y42-I46 HydrophobicContact CE1-CD1 3.38Å; Y42-I46 HydrophobicContact CE2-CD1 3.67Å; Y42-I46 HydrophobicContact CE2-CG1 4.13Å; Y42-I46 HydrophobicContact CG-CD1 4.27Å; Y42-I46 PolarHBondContact O-N 3.46Å; Y42-Y83 HydrophobicContact CE1-CE1 4.25Å; Y42-H87 AromaticContact CD1-CE1 3.78Å; Y42-H87 AromaticContact CD1-CG 3.87Å; Y42-H87 AromaticContact CD1-ND1 3.62Å; Y42-H87 AromaticContact CE1-CD2 3.9Å; Y42-H87 AromaticContact CE1-CE1 3.53Å; Y42-H87 AromaticContact CE1-ND1 3.85Å; Y42-H87 AromaticContact CE1-NE2 3.53Å |
| 43 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E39 I40 Q45 I46 R47 A84 H87 E88 | E39-A43 WeakPolarHBondContact O-CB 3.31Å; E39-A43 PolarHBondContact O-N 3.11Å; I40-A43 PolarHBondContact O-N 3.42Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 3.29Å; A43-I46 PolarHBondContact O-N 3.35Å; A43-R47 WeakPolarHBondContact O-CB 3.37Å; A43-R47 PolarHBondContact O-N 3.43Å; A43-A84 WeakPolarHBondContact CB-O 3.34Å; A43-H87 HydrophobicContact CB-CB 3.83Å; A43-E88 HydrophobicContact CB-CG 3.48Å; A43-E88 VanDerWaalsContact CB-CG 3.48Å |
| 44 | K | 98.5 | Very high | 97.4 | Very high | 121 Ų | 121 | 74.9 Ų | 74.9 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 177.2 | -175 | 176.5 | -177.8 | 177.5 | 0 | 112 | I40 Y42 R47 N48 | I40-K44 VanDerWaalsContact O-CB 3.29Å; I40-K44 WeakPolarHBondContact O-CB 3.47Å; I40-K44 PolarHBondContact O-N 2.87Å; Y42-K44 VanDerWaalsContact C-N 3.32Å; Y42-K44 PolarHBondContact O-N 3.46Å; K44-R47 PolarHBondContact O-N 3.43Å; K44-N48 VanDerWaalsContact O-CB 3.32Å; K44-N48 WeakPolarHBondContact O-CB 3.39Å; K44-N48 PolarHBondContact O-N 2.89Å; K44-N48 PolarHBondContact O-ND2 3.36Å |
| 45 | Q | 98.6 | Very high | 96.7 | Very high | 113 Ų | 113 | 72.7 Ų | 72.7 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.6 | -74.9 | 176.5 | 74.1 | 0 | 0 | 112 | N41 Y42 A43 N48 L49 | N41-Q45 PolarHBondContact ND2-NE2 2.66Å; N41-Q45 WeakPolarHBondContact O-CG 3.41Å; N41-Q45 PolarHBondContact O-N 3.21Å; N41-Q45 VanDerWaalsContact O-N 3.09Å; N41-Q45 PolarHBondContact O-NE2 3.43Å; Y42-Q45 PolarHBondContact O-N 2.79Å; Y42-Q45 VanDerWaalsContact O-N 3.17Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 3.29Å; Q45-N48 PolarHBondContact O-N 2.9Å; Q45-L49 WeakPolarHBondContact O-CB 3.35Å; Q45-L49 PolarHBondContact O-N 3.31Å |
| 46 | I | 98.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 177 | -66.2 | 166.7 | 0 | 0 | 0 | 111.2 | Y42 A43 N48 L49 S50 L80 Y83 A84 | Y42-I46 HydrophobicContact CD1-CD1 3.9Å; Y42-I46 HydrophobicContact CD2-CD1 4.16Å; Y42-I46 HydrophobicContact CD2-CG1 4.5Å; Y42-I46 HydrophobicContact CE1-CD1 3.38Å; Y42-I46 HydrophobicContact CE2-CD1 3.67Å; Y42-I46 HydrophobicContact CE2-CG1 4.13Å; Y42-I46 HydrophobicContact CG-CD1 4.27Å; Y42-I46 PolarHBondContact O-N 3.46Å; A43-I46 PolarHBondContact O-N 3.35Å; I46-N48 VanDerWaalsContact C-N 3.34Å; I46-N48 PolarHBondContact O-N 2.89Å; I46-L49 WeakPolarHBondContact O-CB 3.13Å; I46-L49 PolarHBondContact O-N 3.44Å; I46-L49 VanDerWaalsContact O-N 3.14Å; I46-S50 PolarHBondContact O-N 3.31Å; I46-L80 HydrophobicContact CG2-CD1 3.57Å; I46-L80 HydrophobicContact CG2-CD2 4.17Å; I46-L80 HydrophobicContact CG2-CG 3.5Å; I46-L80 VanDerWaalsContact CG2-CG 3.5Å; I46-L80 WeakPolarHBondContact CG2-O 3.28Å; I46-Y83 HydrophobicContact CD1-CD1 3.95Å; I46-Y83 HydrophobicContact CD1-CE1 3.75Å; I46-A84 HydrophobicContact CB-CB 3.94Å; I46-A84 HydrophobicContact CG2-CB 3.84Å |
| 47 | R | 97.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 86.9 Ų | 86.9 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 178.6 | -178.6 | 169.6 | -64.7 | 148.3 | 4.8 | 112 | A43 K44 L49 S50 K51 A84 E88 | A43-R47 WeakPolarHBondContact O-CB 3.37Å; A43-R47 PolarHBondContact O-N 3.43Å; K44-R47 PolarHBondContact O-N 3.43Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 3.19Å; R47-S50 PolarHBondContact O-N 3.21Å; R47-K51 HydrophobicContact CG-CD 4.12Å; R47-K51 HydrophobicContact CG-CG 4.48Å; R47-K51 WeakPolarHBondContact O-CB 3.5Å; R47-K51 WeakPolarHBondContact O-CG 3.42Å; R47-K51 PolarHBondContact O-N 3.13Å; R47-A84 HydrophobicContact CB-CB 4.23Å; R47-E88 VanDerWaalsContact CZ-CD 3.49Å; R47-E88 IonicContact CZ-OE1 2.76Å; R47-E88 VanDerWaalsContact CZ-OE1 3.26Å; R47-E88 IonicContact CZ-OE2 3.09Å; R47-E88 IonicContact NH1-OE1 3.82Å; R47-E88 PolarHBondContact NH1-OE1 2.87Å; R47-E88 IonicContact NH1-OE2 2.62Å; R47-E88 PolarHBondContact NH1-OE2 3.05Å; R47-E88 IonicContact NH2-OE1 2.9Å; R47-E88 PolarHBondContact NH2-OE1 3.49Å; R47-E88 IonicContact NH2-OE2 3.35Å; R47-E88 PolarHBondContact NH2-OE2 3.46Å |
| 48 | N | 97.6 | Very high | 92.6 | Very high | 87 Ų | 87 | 89.6 Ų | 89.6 | 47% | 0.465 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.1 | -72 | -19.1 | 0 | 0 | 0 | 111.4 | K44 Q45 I46 K52 | K44-N48 VanDerWaalsContact O-CB 3.32Å; K44-N48 WeakPolarHBondContact O-CB 3.39Å; K44-N48 PolarHBondContact O-N 2.89Å; K44-N48 PolarHBondContact O-ND2 3.36Å; Q45-N48 PolarHBondContact O-N 2.9Å; I46-N48 VanDerWaalsContact C-N 3.34Å; I46-N48 PolarHBondContact O-N 2.89Å; N48-K52 VanDerWaalsContact O-CB 3.23Å; N48-K52 WeakPolarHBondContact O-CB 3.3Å; N48-K52 PolarHBondContact O-N 3Å |
| 49 | L | 98.1 | Very high | 91 | Very high | 86 Ų | 86 | 86 Ų | 86 | 45% | 0.45 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 173.6 | -176.5 | 70.2 | 0 | 0 | 0 | 110.9 | Q45 I46 R47 K51 K52 Y53 L80 | Q45-L49 WeakPolarHBondContact O-CB 3.35Å; Q45-L49 PolarHBondContact O-N 3.31Å; I46-L49 WeakPolarHBondContact O-CB 3.13Å; I46-L49 PolarHBondContact O-N 3.44Å; I46-L49 VanDerWaalsContact O-N 3.14Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 3.19Å; L49-K51 PolarHBondContact O-N 3.1Å; L49-K52 WeakPolarHBondContact O-CB 3.32Å; L49-K52 PolarHBondContact O-N 3.12Å; L49-Y53 HydrophobicContact CD1-CD2 4.04Å; L49-Y53 HydrophobicContact CD1-CE2 3.63Å; L49-Y53 VanDerWaalsContact O-CD2 3.32Å; L49-Y53 WeakPolarHBondContact O-CD2 3.4Å; L49-Y53 PolarHBondContact O-N 3.48Å; L49-L80 HydrophobicContact CD2-CD2 4.41Å |
| 50 | S | 96.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 94.7 Ų | 94.7 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -55.8 | -52.1 | 178.2 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | I46 R47 K52 Y53 Q54 L77 | I46-S50 PolarHBondContact O-N 3.31Å; R47-S50 PolarHBondContact O-N 3.21Å; S50-K52 VanDerWaalsContact C-N 3.28Å; S50-K52 PolarHBondContact O-N 3.22Å; S50-Y53 PolarHBondContact O-N 2.91Å; S50-Y53 VanDerWaalsContact O-N 3.16Å; S50-Q54 WeakPolarHBondContact O-CG 3.31Å; S50-Q54 PolarHBondContact O-N 3.03Å; S50-L77 PolarHBondContact OG-O 3.47Å |
| 51 | K | 94.5 | Very high | 87.6 | Confident | 131 Ų | 131 | 95.3 Ų | 95.3 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.6 | -34.9 | 179.1 | -73.1 | 179.7 | 179.5 | 179.6 | 0 | 113.5 | R47 L49 Y53 Q54 | R47-K51 HydrophobicContact CG-CD 4.12Å; R47-K51 HydrophobicContact CG-CG 4.48Å; R47-K51 WeakPolarHBondContact O-CB 3.5Å; R47-K51 WeakPolarHBondContact O-CG 3.42Å; R47-K51 PolarHBondContact O-N 3.13Å; L49-K51 PolarHBondContact O-N 3.1Å; K51-Y53 VanDerWaalsContact C-N 3.28Å; K51-Y53 PolarHBondContact O-N 3.24Å; K51-Q54 PolarHBondContact O-N 3.3Å |
| 52 | K | 95.4 | Very high | 85.8 | Confident | 154 Ų | 154 | 96.7 Ų | 96.7 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.2 | -32.7 | -179.9 | 179.2 | -179 | 177.3 | -174.1 | 0 | 112.6 | N48 L49 S50 | N48-K52 VanDerWaalsContact O-CB 3.23Å; N48-K52 WeakPolarHBondContact O-CB 3.3Å; N48-K52 PolarHBondContact O-N 3Å; L49-K52 WeakPolarHBondContact O-CB 3.32Å; L49-K52 PolarHBondContact O-N 3.12Å; S50-K52 VanDerWaalsContact C-N 3.28Å; S50-K52 PolarHBondContact O-N 3.22Å |
| 53 | Y | 93 | Very high | 84 | Confident | 121 Ų | 121 | 97.9 Ų | 97.9 | 48% | 0.475 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -102.2 | -1.7 | -176.5 | -70.6 | -82.4 | 0 | 0 | 0 | 113.7 | L49 S50 K51 L77 | L49-Y53 HydrophobicContact CD1-CD2 4.04Å; L49-Y53 HydrophobicContact CD1-CE2 3.63Å; L49-Y53 VanDerWaalsContact O-CD2 3.32Å; L49-Y53 WeakPolarHBondContact O-CD2 3.4Å; L49-Y53 PolarHBondContact O-N 3.48Å; S50-Y53 PolarHBondContact O-N 2.91Å; S50-Y53 VanDerWaalsContact O-N 3.16Å; K51-Y53 VanDerWaalsContact C-N 3.28Å; K51-Y53 PolarHBondContact O-N 3.24Å; Y53-L77 VanDerWaalsContact C-CD1 3.45Å; Y53-L77 VanDerWaalsContact O-CD1 3.27Å; Y53-L77 WeakPolarHBondContact O-CD1 3.45Å |
| 54 | Q | 91.1 | Very high | 82.3 | Confident | 55 Ų | 55 | 102.5 Ų | 102.5 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -65.8 | 148.6 | 171.7 | -79.8 | -74.1 | 12.7 | 0 | 0 | 111.5 | S50 K51 K56 L77 N78 | S50-Q54 WeakPolarHBondContact O-CG 3.31Å; S50-Q54 PolarHBondContact O-N 3.03Å; K51-Q54 PolarHBondContact O-N 3.3Å; Q54-K56 PolarHBondContact O-N 2.92Å; Q54-L77 HydrophobicContact CG-CD1 4.3Å; Q54-N78 PolarHBondContact NE2-OD1 3.15Å |
| 55 | P | 84.7 | Confident | 80.9 | Confident | 45 Ų | 45 | 98 Ų | 98 | 29% | 0.292 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 136.5 | 175.3 | -22.8 | 33.9 | 0 | 0 | 0 | 111.5 | F74 | P55-F74 HydrophobicContact CG-CD1 3.72Å; P55-F74 HydrophobicContact CG-CD2 3.99Å; P55-F74 HydrophobicContact CG-CE1 3.44Å; P55-F74 VanDerWaalsContact CG-CE1 3.44Å; P55-F74 HydrophobicContact CG-CE2 3.72Å; P55-F74 HydrophobicContact CG-CG 4.01Å; P55-F74 HydrophobicContact CG-CZ 3.45Å; P55-F74 VanDerWaalsContact CG-CZ 3.45Å |
| 56 | K | 81.6 | Confident | 80.1 | Confident | 159 Ų | 159 | 97.6 Ų | 97.6 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 131.4 | 171 | -64.9 | 178.5 | -176.4 | 175.1 | 0 | 108.9 | Q54 N58 S59 | Q54-K56 PolarHBondContact O-N 2.92Å; K56-N58 PolarHBondContact O-N 3.4Å; K56-S59 PolarHBondContact O-N 3.44Å |
| 57 | K | 65.3 | Low | 79.7 | Confident | 197 Ų | 197 | 98.4 Ų | 98.4 | 86% | 0.857 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 130.8 | 171.8 | -80.3 | -175.3 | 172.3 | -179.4 | 0 | 110 | ||
| 58 | N | 61.9 | Low | 79.6 | Confident | 154 Ų | 154 | 96 Ų | 96 | 82% | 0.824 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 29.4 | 179.3 | -50.7 | -25.2 | 0 | 0 | 0 | 116 | K56 | K56-N58 PolarHBondContact O-N 3.4Š|
| 59 | S | 66.3 | Low | 79.5 | Confident | 32 Ų | 32 | 97 Ų | 97 | 22% | 0.224 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -99.3 | 160.1 | 173.3 | 100.5 | 0 | 0 | 0 | 0 | 111.8 | K56 E61 E62 | K56-S59 PolarHBondContact O-N 3.44Å; S59-E61 PolarHBondContact O-N 2.82Å; S59-E61 VanDerWaalsContact O-N 3.07Å; S59-E61 WeakPolarHBondContact OG-CB 3.21Å; S59-E61 WeakPolarHBondContact OG-CG 3.28Å; S59-E61 PolarHBondContact OG-N 3.34Å; S59-E61 PolarHBondContact OG-OE2 2.92Å; S59-E62 WeakPolarHBondContact O-CB 3.36Å; S59-E62 PolarHBondContact O-N 2.97Å |
| 60 | R | 62.3 | Low | 79.2 | Confident | 197 Ų | 197 | 93.7 Ų | 93.7 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.5 | 171.2 | -168.6 | 179.2 | 177.9 | -169.1 | -3.1 | 112.6 | E62 E63 | R60-E62 VanDerWaalsContact C-N 3.26Å; R60-E62 PolarHBondContact O-N 3.05Å; R60-E63 PolarHBondContact O-N 3.18Å |
| 61 | E | 61.5 | Low | 79.1 | Confident | 93 Ų | 93 | 99.2 Ų | 99.2 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.7 | -20.6 | 178 | -55.4 | 155.2 | 155.6 | 0 | 0 | 112 | S59 E63 E64 S65 | S59-E61 PolarHBondContact O-N 2.82Å; S59-E61 VanDerWaalsContact O-N 3.07Å; S59-E61 WeakPolarHBondContact OG-CB 3.21Å; S59-E61 WeakPolarHBondContact OG-CG 3.28Å; S59-E61 PolarHBondContact OG-N 3.34Å; S59-E61 PolarHBondContact OG-OE2 2.92Å; E61-E63 VanDerWaalsContact C-N 3.27Å; E61-E63 PolarHBondContact O-N 3.42Å; E61-E64 CarbonylContact O-C 3.5Å; E61-E64 PolarHBondContact O-N 3.48Å; E61-E64 VanDerWaalsContact O-N 3.11Å; E61-S65 PolarHBondContact O-N 2.85Å; E61-S65 PolarHBondContact O-OG 3.44Å |
| 62 | E | 61.5 | Low | 79.1 | Confident | 117 Ų | 117 | 93.1 Ų | 93.1 | 55% | 0.547 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | 172.9 | -162.2 | 168.8 | -166.3 | 0 | 0 | 111 | S59 R60 S65 | S59-E62 WeakPolarHBondContact O-CB 3.36Å; S59-E62 PolarHBondContact O-N 2.97Å; R60-E62 VanDerWaalsContact C-N 3.26Å; R60-E62 PolarHBondContact O-N 3.05Å; E62-S65 WeakPolarHBondContact O-CB 3.35Å; E62-S65 PolarHBondContact O-N 3.46Å |
| 63 | E | 61.3 | Low | 79.2 | Confident | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -73.5 | -26.6 | 170.5 | -75.4 | -169.2 | 138.3 | 0 | 0 | 113.2 | R60 E61 S65 K66 | R60-E63 PolarHBondContact O-N 3.18Å; E61-E63 VanDerWaalsContact C-N 3.27Å; E61-E63 PolarHBondContact O-N 3.42Å; E63-S65 VanDerWaalsContact C-N 3.34Å; E63-K66 WeakPolarHBondContact O-CD 3.4Å; E63-K66 WeakPolarHBondContact O-CE 3.4Å; E63-K66 WeakPolarHBondContact O-CG 3.36Å |
| 64 | E | 63.4 | Low | 79.2 | Confident | 97 Ų | 97 | 86.4 Ų | 86.4 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -82.5 | -13.9 | 176.1 | -65.3 | 177.4 | -179.7 | 0 | 0 | 112.4 | E61 K66 F67 C70 | E61-E64 CarbonylContact O-C 3.5Å; E61-E64 PolarHBondContact O-N 3.48Å; E61-E64 VanDerWaalsContact O-N 3.11Å; E64-K66 PolarHBondContact O-N 3.43Å; E64-F67 WeakPolarHBondContact O-CD2 3.42Å; E64-F67 PolarHBondContact O-N 3.32Å; E64-C70 WeakPolarHBondContact O-CB 3.19Å; E64-C70 PolarHBondContact O-SG 3.44Å |
| 65 | S | 69 | Low | 79.4 | Confident | 27 Ų | 27 | 86.5 Ų | 86.5 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -0.5 | 176.5 | -57 | 0 | 0 | 0 | 0 | 113.8 | E61 E62 E63 R71 F74 | E61-S65 PolarHBondContact O-N 2.85Å; E61-S65 PolarHBondContact O-OG 3.44Å; E62-S65 WeakPolarHBondContact O-CB 3.35Å; E62-S65 PolarHBondContact O-N 3.46Å; E63-S65 VanDerWaalsContact C-N 3.34Å; S65-R71 WeakPolarHBondContact O-CG 3.12Å; S65-F74 VanDerWaalsContact OG-CE2 3.31Å; S65-F74 WeakPolarHBondContact OG-CE2 3.46Å |
| 66 | K | 79.9 | Confident | 80.1 | Confident | 103 Ų | 103 | 86.4 Ų | 86.4 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -31.1 | 179.7 | -59 | 173.5 | -167.4 | 168.9 | 0 | 112.1 | E63 E64 R71 Q267 | E63-K66 WeakPolarHBondContact O-CD 3.4Å; E63-K66 WeakPolarHBondContact O-CE 3.4Å; E63-K66 WeakPolarHBondContact O-CG 3.36Å; E64-K66 PolarHBondContact O-N 3.43Å; K66-R71 PolarHBondContact O-NE 2.94Å; K66-Q267 PolarHBondContact O-OE1 3.01Å |
| 67 | F | 91.8 | Very high | 80.8 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -73.4 | 143.3 | -178.6 | -59 | -63.9 | 0 | 0 | 0 | 111.8 | E64 F69 C70 R71 D264 Q267 V268 | E64-F67 WeakPolarHBondContact O-CD2 3.42Å; E64-F67 PolarHBondContact O-N 3.32Å; F67-F69 VanDerWaalsContact C-N 3.3Å; F67-F69 HydrophobicContact CB-CD1 3.6Å; F67-F69 HydrophobicContact CB-CE1 3.29Å; F67-F69 HydrophobicContact CB-CZ 4.02Å; F67-F69 HydrophobicContact CD1-CE1 4.48Å; F67-F69 AromaticContact CD2-CE1 4Å; F67-F69 HydrophobicContact CD2-CE1 4Å; F67-F69 HydrophobicContact CD2-CZ 4.16Å; F67-F69 HydrophobicContact CG-CD1 4.42Å; F67-F69 AromaticContact CG-CE1 3.68Å; F67-F69 HydrophobicContact CG-CE1 3.68Å; F67-F69 HydrophobicContact CG-CZ 4.3Å; F67-F69 PolarHBondContact O-N 2.96Å; F67-C70 PolarHBondContact O-N 3.13Å; F67-R71 WeakPolarHBondContact O-CG 3.45Å; F67-R71 PolarHBondContact O-N 3.15Å; F67-R71 VanDerWaalsContact O-N 3.12Å; F67-D264 WeakPolarHBondContact CA-OD1 3.37Å; F67-D264 HydrophobicContact CD1-CB 3.94Å; F67-Q267 HydrophobicContact CD1-CB 4.39Å; F67-Q267 HydrophobicContact CE1-CB 4.01Å; F67-V268 HydrophobicContact CE1-CG2 3.64Å; F67-V268 HydrophobicContact CZ-CG2 3.8Å |
| 68 | S | 95.3 | Very high | 82.3 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.5 | -40.6 | -179.6 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | C70 R71 A72 E260 D264 | S68-C70 PolarHBondContact O-N 2.81Å; S68-R71 PolarHBondContact O-N 3.06Å; S68-A72 WeakPolarHBondContact O-CB 3.48Å; S68-A72 PolarHBondContact O-N 3.37Å; S68-E260 PolarHBondContact OG-N 3.43Å; S68-D264 WeakPolarHBondContact CB-OD1 3.47Å; S68-D264 PolarHBondContact N-OD1 3.12Å; S68-D264 PolarHBondContact N-OD2 3.38Å; S68-D264 PolarHBondContact OG-OD1 3.48Å; S68-D264 PolarHBondContact OG-OD2 3.31Å |
| 69 | F | 94.4 | Very high | 84 | Confident | 107 Ų | 107 | 68.2 Ų | 68.2 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 178.7 | 73 | -91.2 | 0 | 0 | 0 | 113.4 | F67 F73 I259 D264 | F67-F69 VanDerWaalsContact C-N 3.3Å; F67-F69 HydrophobicContact CB-CD1 3.6Å; F67-F69 HydrophobicContact CB-CE1 3.29Å; F67-F69 HydrophobicContact CB-CZ 4.02Å; F67-F69 HydrophobicContact CD1-CE1 4.48Å; F67-F69 AromaticContact CD2-CE1 4Å; F67-F69 HydrophobicContact CD2-CE1 4Å; F67-F69 HydrophobicContact CD2-CZ 4.16Å; F67-F69 HydrophobicContact CG-CD1 4.42Å; F67-F69 AromaticContact CG-CE1 3.68Å; F67-F69 HydrophobicContact CG-CE1 3.68Å; F67-F69 HydrophobicContact CG-CZ 4.3Å; F67-F69 PolarHBondContact O-N 2.96Å; F69-F73 PolarHBondContact O-N 2.96Å; F69-F73 VanDerWaalsContact O-N 3.1Å; F69-I259 HydrophobicContact CB-CD1 4.22Å; F69-I259 HydrophobicContact CB-CG1 4.48Å; F69-I259 HydrophobicContact CB-CG2 4.14Å; F69-D264 WeakPolarHBondContact CD1-OD2 3.42Å; F69-D264 PolarHBondContact N-OD2 2.88Å |
| 70 | C | 93.3 | Very high | 85.5 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 12% | 0.122 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 174.3 | -68.1 | 0 | 0 | 0 | 0 | 110.9 | E64 F67 S68 A72 F73 F74 | E64-C70 WeakPolarHBondContact O-CB 3.19Å; E64-C70 PolarHBondContact O-SG 3.44Å; F67-C70 PolarHBondContact O-N 3.13Å; S68-C70 PolarHBondContact O-N 2.81Å; C70-A72 VanDerWaalsContact C-N 3.33Å; C70-A72 PolarHBondContact O-N 3.05Å; C70-F73 PolarHBondContact O-N 2.96Å; C70-F74 HydrophobicContact CB-CE2 4.03Å; C70-F74 HydrophobicContact CB-CZ 4.35Å; C70-F74 WeakPolarHBondContact O-CD2 3.21Å; C70-F74 VanDerWaalsContact O-CG 3.31Å; C70-F74 WeakPolarHBondContact O-CG 3.12Å; C70-F74 PolarHBondContact O-N 3.19Å |
| 71 | R | 92.8 | Very high | 87.2 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.5 | -67.2 | -178.6 | -70.4 | 159.9 | 1.7 | 112.1 | S65 K66 F67 S68 F74 T75 | S65-R71 WeakPolarHBondContact O-CG 3.12Å; K66-R71 PolarHBondContact O-NE 2.94Å; F67-R71 WeakPolarHBondContact O-CG 3.45Å; F67-R71 PolarHBondContact O-N 3.15Å; F67-R71 VanDerWaalsContact O-N 3.12Å; S68-R71 PolarHBondContact O-N 3.06Å; R71-F74 PolarHBondContact O-N 3.29Å; R71-T75 WeakPolarHBondContact O-CB 3.18Å; R71-T75 PolarHBondContact O-N 2.97Å; R71-T75 PolarHBondContact O-OG1 3.11Å |
| 72 | A | 96.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S68 C70 F74 T75 T76 A255 I259 | S68-A72 WeakPolarHBondContact O-CB 3.48Å; S68-A72 PolarHBondContact O-N 3.37Å; C70-A72 VanDerWaalsContact C-N 3.33Å; C70-A72 PolarHBondContact O-N 3.05Å; A72-F74 PolarHBondContact O-N 3.47Å; A72-T75 PolarHBondContact O-N 2.97Å; A72-T76 PolarHBondContact O-N 2.79Å; A72-T76 PolarHBondContact O-OG1 3.41Å; A72-A255 HydrophobicContact CB-CB 4.45Å; A72-A255 WeakPolarHBondContact CB-O 3.25Å; A72-I259 HydrophobicContact CB-CD1 3.87Å; A72-I259 HydrophobicContact CB-CG1 3.62Å |
| 73 | F | 96 | Very high | 90.7 | Very high | 97 Ų | 97 | 57.4 Ų | 57.4 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177 | 179.7 | -118.8 | 0 | 0 | 0 | 112.6 | F69 C70 T75 T76 L77 | F69-F73 PolarHBondContact O-N 2.96Å; F69-F73 VanDerWaalsContact O-N 3.1Å; C70-F73 PolarHBondContact O-N 2.96Å; F73-T75 VanDerWaalsContact C-N 3.32Å; F73-T75 PolarHBondContact O-N 3.47Å; F73-T76 WeakPolarHBondContact O-CB 3.38Å; F73-T76 PolarHBondContact O-N 3.27Å; F73-L77 HydrophobicContact CD1-CD1 4.23Å; F73-L77 HydrophobicContact CE1-CD1 3.73Å; F73-L77 HydrophobicContact CE1-CG 4.24Å; F73-L77 HydrophobicContact CE2-CD2 4.08Å; F73-L77 HydrophobicContact CE2-CG 4.27Å; F73-L77 HydrophobicContact CZ-CD1 3.95Å; F73-L77 HydrophobicContact CZ-CD2 3.91Å; F73-L77 HydrophobicContact CZ-CG 4.07Å; F73-L77 WeakPolarHBondContact O-CG 3.38Å; F73-L77 PolarHBondContact O-N 3.09Å |
| 74 | F | 93.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 178.3 | -56.3 | -35.2 | 0 | 0 | 0 | 112.9 | P55 S65 C70 R71 A72 L77 N78 | P55-F74 HydrophobicContact CG-CD1 3.72Å; P55-F74 HydrophobicContact CG-CD2 3.99Å; P55-F74 HydrophobicContact CG-CE1 3.44Å; P55-F74 VanDerWaalsContact CG-CE1 3.44Å; P55-F74 HydrophobicContact CG-CE2 3.72Å; P55-F74 HydrophobicContact CG-CG 4.01Å; P55-F74 HydrophobicContact CG-CZ 3.45Å; P55-F74 VanDerWaalsContact CG-CZ 3.45Å; S65-F74 VanDerWaalsContact OG-CE2 3.31Å; S65-F74 WeakPolarHBondContact OG-CE2 3.46Å; C70-F74 HydrophobicContact CB-CE2 4.03Å; C70-F74 HydrophobicContact CB-CZ 4.35Å; C70-F74 WeakPolarHBondContact O-CD2 3.21Å; C70-F74 VanDerWaalsContact O-CG 3.31Å; C70-F74 WeakPolarHBondContact O-CG 3.12Å; C70-F74 PolarHBondContact O-N 3.19Å; R71-F74 PolarHBondContact O-N 3.29Å; A72-F74 PolarHBondContact O-N 3.47Å; F74-L77 HydrophobicContact CD1-CD1 4.24Å; F74-L77 PolarHBondContact O-N 3.2Å; F74-N78 PolarHBondContact O-N 3.01Å; F74-N78 PolarHBondContact O-ND2 3.06Å |
| 75 | T | 96 | Very high | 94.1 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 34% | 0.344 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 172.2 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | R71 A72 F73 L77 N78 E79 A255 | R71-T75 WeakPolarHBondContact O-CB 3.18Å; R71-T75 PolarHBondContact O-N 2.97Å; R71-T75 PolarHBondContact O-OG1 3.11Å; A72-T75 PolarHBondContact O-N 2.97Å; F73-T75 VanDerWaalsContact C-N 3.32Å; F73-T75 PolarHBondContact O-N 3.47Å; T75-L77 VanDerWaalsContact C-N 3.29Å; T75-L77 PolarHBondContact O-N 2.99Å; T75-N78 WeakPolarHBondContact O-CB 3.39Å; T75-N78 PolarHBondContact O-N 3.19Å; T75-E79 WeakPolarHBondContact O-CG 3.17Å; T75-E79 PolarHBondContact O-N 3.18Å; T75-A255 HydrophobicContact CG2-CB 3.8Å |
| 76 | T | 97.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -39.2 | 173.8 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | A72 F73 E79 L80 M252 | A72-T76 PolarHBondContact O-N 2.79Å; A72-T76 PolarHBondContact O-OG1 3.41Å; F73-T76 WeakPolarHBondContact O-CB 3.38Å; F73-T76 PolarHBondContact O-N 3.27Å; T76-E79 PolarHBondContact O-N 3.01Å; T76-L80 VanDerWaalsContact O-CB 3.31Å; T76-L80 WeakPolarHBondContact O-CB 3.29Å; T76-L80 PolarHBondContact O-N 3.37Å; T76-M252 HydrophobicContact CG2-CB 4.47Å; T76-M252 HydrophobicContact CG2-CG 3.99Å; T76-M252 HydrophobicContact CG2-SD 4.2Å |
| 77 | L | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 175.4 | -65.5 | 179.9 | 0 | 0 | 0 | 112.5 | S50 Y53 Q54 F73 F74 T75 L80 N81 | S50-L77 PolarHBondContact OG-O 3.47Å; Y53-L77 VanDerWaalsContact C-CD1 3.45Å; Y53-L77 VanDerWaalsContact O-CD1 3.27Å; Y53-L77 WeakPolarHBondContact O-CD1 3.45Å; Q54-L77 HydrophobicContact CG-CD1 4.3Å; F73-L77 HydrophobicContact CD1-CD1 4.23Å; F73-L77 HydrophobicContact CE1-CD1 3.73Å; F73-L77 HydrophobicContact CE1-CG 4.24Å; F73-L77 HydrophobicContact CE2-CD2 4.08Å; F73-L77 HydrophobicContact CE2-CG 4.27Å; F73-L77 HydrophobicContact CZ-CD1 3.95Å; F73-L77 HydrophobicContact CZ-CD2 3.91Å; F73-L77 HydrophobicContact CZ-CG 4.07Å; F73-L77 WeakPolarHBondContact O-CG 3.38Å; F73-L77 PolarHBondContact O-N 3.09Å; F74-L77 HydrophobicContact CD1-CD1 4.24Å; F74-L77 PolarHBondContact O-N 3.2Å; T75-L77 VanDerWaalsContact C-N 3.29Å; T75-L77 PolarHBondContact O-N 2.99Å; L77-L80 PolarHBondContact O-N 2.97Å; L77-N81 PolarHBondContact O-N 2.84Å |
| 78 | N | 96.8 | Very high | 96.7 | Very high | 80 Ų | 80 | 45 Ų | 45 | 43% | 0.428 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.8 | -49 | 175.2 | -67.7 | -28.1 | 0 | 0 | 0 | 111 | Q54 F74 T75 L80 N81 D82 | Q54-N78 PolarHBondContact NE2-OD1 3.15Å; F74-N78 PolarHBondContact O-N 3.01Å; F74-N78 PolarHBondContact O-ND2 3.06Å; T75-N78 WeakPolarHBondContact O-CB 3.39Å; T75-N78 PolarHBondContact O-N 3.19Å; N78-L80 PolarHBondContact O-N 3.01Å; N78-N81 WeakPolarHBondContact O-CA 3.31Å; N78-N81 WeakPolarHBondContact O-CB 3.46Å; N78-N81 PolarHBondContact O-N 3.49Å; N78-D82 PolarHBondContact O-N 2.82Å |
| 79 | E | 98.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -36.7 | 176.1 | -63.5 | -63.4 | 169.5 | 0 | 0 | 111.6 | T75 T76 N81 D82 Y83 C248 M252 | T75-E79 WeakPolarHBondContact O-CG 3.17Å; T75-E79 PolarHBondContact O-N 3.18Å; T76-E79 PolarHBondContact O-N 3.01Å; E79-N81 VanDerWaalsContact C-N 3.33Å; E79-N81 PolarHBondContact O-N 3.35Å; E79-D82 PolarHBondContact O-N 3.38Å; E79-Y83 WeakPolarHBondContact O-CB 3.41Å; E79-Y83 PolarHBondContact O-N 2.94Å; E79-C248 HydrophobicContact CB-CB 4.48Å; E79-C248 WeakPolarHBondContact OE2-CA 3.3Å; E79-M252 HydrophobicContact CB-CE 3.69Å; E79-M252 HydrophobicContact CB-CG 3.69Å; E79-M252 HydrophobicContact CG-CG 4.2Å |
| 80 | L | 97.9 | Very high | 97.1 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.7 | -32.2 | 176.2 | -172 | 63.9 | 0 | 0 | 0 | 112.4 | I46 L49 T76 L77 N78 A84 M252 | I46-L80 HydrophobicContact CG2-CD1 3.57Å; I46-L80 HydrophobicContact CG2-CD2 4.17Å; I46-L80 HydrophobicContact CG2-CG 3.5Å; I46-L80 VanDerWaalsContact CG2-CG 3.5Å; I46-L80 WeakPolarHBondContact CG2-O 3.28Å; L49-L80 HydrophobicContact CD2-CD2 4.41Å; T76-L80 VanDerWaalsContact O-CB 3.31Å; T76-L80 WeakPolarHBondContact O-CB 3.29Å; T76-L80 PolarHBondContact O-N 3.37Å; L77-L80 PolarHBondContact O-N 2.97Å; N78-L80 PolarHBondContact O-N 3.01Å; L80-A84 PolarHBondContact O-N 3.05Å; L80-A84 VanDerWaalsContact O-N 3.11Å; L80-M252 HydrophobicContact CB-CE 3.78Å; L80-M252 HydrophobicContact CD1-CE 4.13Å; L80-M252 VanDerWaalsContact N-CE 3.33Å |
| 81 | N | 97.2 | Very high | 97.3 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.2 | -40.1 | 173.4 | 177.3 | 83.4 | 0 | 0 | 0 | 111.6 | L77 N78 E79 A84 G85 | L77-N81 PolarHBondContact O-N 2.84Å; N78-N81 WeakPolarHBondContact O-CA 3.31Å; N78-N81 WeakPolarHBondContact O-CB 3.46Å; N78-N81 PolarHBondContact O-N 3.49Å; E79-N81 VanDerWaalsContact C-N 3.33Å; E79-N81 PolarHBondContact O-N 3.35Å; N81-A84 WeakPolarHBondContact O-CB 3.38Å; N81-A84 PolarHBondContact O-N 3.17Å; N81-G85 PolarHBondContact O-N 3Å; N81-G85 VanDerWaalsContact O-N 3.1Å |
| 82 | D | 97.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.4 | -38 | 177.6 | -67.3 | -11.4 | 0 | 0 | 0 | 111.4 | N78 E79 A84 G85 Q86 | N78-D82 PolarHBondContact O-N 2.82Å; E79-D82 PolarHBondContact O-N 3.38Å; D82-A84 VanDerWaalsContact C-N 3.33Å; D82-A84 PolarHBondContact O-N 3.3Å; D82-G85 WeakPolarHBondContact O-CA 3.47Å; D82-G85 PolarHBondContact O-N 3.47Å; D82-Q86 PolarHBondContact O-N 3.01Å; D82-Q86 VanDerWaalsContact O-N 3.11Å |
| 83 | Y | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.5 | -45.9 | 169.3 | 178.6 | -86.8 | 0 | 0 | 0 | 111.6 | Y42 I46 E79 G85 Q86 H87 V245 | Y42-Y83 HydrophobicContact CE1-CE1 4.25Å; I46-Y83 HydrophobicContact CD1-CD1 3.95Å; I46-Y83 HydrophobicContact CD1-CE1 3.75Å; E79-Y83 WeakPolarHBondContact O-CB 3.41Å; E79-Y83 PolarHBondContact O-N 2.94Å; Y83-G85 VanDerWaalsContact C-N 3.28Å; Y83-G85 PolarHBondContact O-N 2.99Å; Y83-Q86 WeakPolarHBondContact O-CB 3.35Å; Y83-Q86 PolarHBondContact O-N 3.24Å; Y83-Q86 VanDerWaalsContact O-N 3.13Å; Y83-H87 AromaticContact CD1-CD2 3.87Å; Y83-H87 AromaticContact CE1-CD2 3.36Å; Y83-H87 WeakPolarHBondContact CE1-CD2 3.23Å; Y83-H87 AromaticContact CE1-NE2 3.22Å; Y83-H87 WeakPolarHBondContact CE1-NE2 3.49Å; Y83-H87 AromaticContact CZ-CD2 3.75Å; Y83-H87 AromaticContact CZ-NE2 3.18Å; Y83-H87 PolarHBondContact O-CD2 3.04Å; Y83-H87 PolarHBondContact O-N 3.23Å; Y83-H87 PolarHBondContact OH-NE2 2.93Å; Y83-V245 HydrophobicContact CD2-CG1 4.01Å; Y83-V245 HydrophobicContact CD2-CG2 4.2Å; Y83-V245 HydrophobicContact CE2-CB 4.45Å; Y83-V245 HydrophobicContact CE2-CG1 3.63Å; Y83-V245 HydrophobicContact CE2-CG2 4.13Å |
| 84 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A43 I46 R47 L80 N81 D82 Q86 H87 E88 | A43-A84 WeakPolarHBondContact CB-O 3.34Å; I46-A84 HydrophobicContact CB-CB 3.94Å; I46-A84 HydrophobicContact CG2-CB 3.84Å; R47-A84 HydrophobicContact CB-CB 4.23Å; L80-A84 PolarHBondContact O-N 3.05Å; L80-A84 VanDerWaalsContact O-N 3.11Å; N81-A84 WeakPolarHBondContact O-CB 3.38Å; N81-A84 PolarHBondContact O-N 3.17Å; D82-A84 VanDerWaalsContact C-N 3.33Å; D82-A84 PolarHBondContact O-N 3.3Å; A84-Q86 VanDerWaalsContact C-N 3.28Å; A84-Q86 PolarHBondContact O-N 2.77Å; A84-H87 PolarHBondContact O-N 3.41Å; A84-E88 PolarHBondContact O-N 3.5Å |
| 85 | G | 98.3 | Very high | 98.1 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 19% | 0.186 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -38.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N81 D82 Y83 H87 E88 V89 | N81-G85 PolarHBondContact O-N 3Å; N81-G85 VanDerWaalsContact O-N 3.1Å; D82-G85 WeakPolarHBondContact O-CA 3.47Å; D82-G85 PolarHBondContact O-N 3.47Å; Y83-G85 VanDerWaalsContact C-N 3.28Å; Y83-G85 PolarHBondContact O-N 2.99Å; G85-H87 VanDerWaalsContact C-N 3.33Å; G85-H87 PolarHBondContact O-N 3.27Å; G85-E88 PolarHBondContact O-N 2.75Å; G85-V89 WeakPolarHBondContact O-CG2 3.31Å; G85-V89 PolarHBondContact O-N 3.37Å |
| 86 | Q | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -34.7 | 177 | -59.5 | -48.5 | -49.3 | 0 | 0 | 113 | D82 Y83 A84 E88 V89 I90 V241 I244 V245 | D82-Q86 PolarHBondContact O-N 3.01Å; D82-Q86 VanDerWaalsContact O-N 3.11Å; Y83-Q86 WeakPolarHBondContact O-CB 3.35Å; Y83-Q86 PolarHBondContact O-N 3.24Å; Y83-Q86 VanDerWaalsContact O-N 3.13Å; A84-Q86 VanDerWaalsContact C-N 3.28Å; A84-Q86 PolarHBondContact O-N 2.77Å; Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-V89 WeakPolarHBondContact O-CB 3.34Å; Q86-V89 PolarHBondContact O-N 2.96Å; Q86-I90 PolarHBondContact O-N 3.46Å; Q86-V241 HydrophobicContact CB-CB 4.23Å; Q86-V241 HydrophobicContact CB-CG1 4.37Å; Q86-I244 VanDerWaalsContact CD-CG2 3.45Å; Q86-I244 HydrophobicContact CG-CB 4.09Å; Q86-I244 HydrophobicContact CG-CG2 3.75Å; Q86-V245 HydrophobicContact CB-CG2 4.2Å; Q86-V245 HydrophobicContact CG-CG2 4.43Å |
| 87 | H | 98.5 | Very high | 98.2 | Very high | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -32.8 | 173.4 | -80.5 | -83.6 | 0 | 0 | 0 | 112.7 | E39 Y42 A43 Y83 A84 G85 I90 A91 | E39-H87 IonicContact OE1-ND1 3.74Å; E39-H87 IonicContact OE2-CE1 3.95Å; E39-H87 IonicContact OE2-CG 3.64Å; E39-H87 IonicContact OE2-ND1 3.81Å; E39-H87 PolarHBondContact OE2-ND1 3.24Å; Y42-H87 AromaticContact CD1-CE1 3.78Å; Y42-H87 AromaticContact CD1-CG 3.87Å; Y42-H87 AromaticContact CD1-ND1 3.62Å; Y42-H87 AromaticContact CE1-CD2 3.9Å; Y42-H87 AromaticContact CE1-CE1 3.53Å; Y42-H87 AromaticContact CE1-ND1 3.85Å; Y42-H87 AromaticContact CE1-NE2 3.53Å; A43-H87 HydrophobicContact CB-CB 3.83Å; Y83-H87 AromaticContact CD1-CD2 3.87Å; Y83-H87 AromaticContact CE1-CD2 3.36Å; Y83-H87 WeakPolarHBondContact CE1-CD2 3.23Å; Y83-H87 AromaticContact CE1-NE2 3.22Å; Y83-H87 WeakPolarHBondContact CE1-NE2 3.49Å; Y83-H87 AromaticContact CZ-CD2 3.75Å; Y83-H87 AromaticContact CZ-NE2 3.18Å; Y83-H87 PolarHBondContact O-CD2 3.04Å; Y83-H87 PolarHBondContact O-N 3.23Å; Y83-H87 PolarHBondContact OH-NE2 2.93Å; A84-H87 PolarHBondContact O-N 3.41Å; G85-H87 VanDerWaalsContact C-N 3.33Å; G85-H87 PolarHBondContact O-N 3.27Å; H87-I90 PolarHBondContact O-N 2.67Å; H87-A91 PolarHBondContact O-N 3.01Å; H87-A91 VanDerWaalsContact O-N 3.16Å |
| 88 | E | 98.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 171.3 | -63.8 | -176.2 | 161.7 | 0 | 0 | 111.6 | A43 R47 A84 G85 Q86 I90 A91 E92 | A43-E88 HydrophobicContact CB-CG 3.48Å; A43-E88 VanDerWaalsContact CB-CG 3.48Å; R47-E88 VanDerWaalsContact CZ-CD 3.49Å; R47-E88 IonicContact CZ-OE1 2.76Å; R47-E88 VanDerWaalsContact CZ-OE1 3.26Å; R47-E88 IonicContact CZ-OE2 3.09Å; R47-E88 IonicContact NH1-OE1 3.82Å; R47-E88 PolarHBondContact NH1-OE1 2.87Å; R47-E88 IonicContact NH1-OE2 2.62Å; R47-E88 PolarHBondContact NH1-OE2 3.05Å; R47-E88 IonicContact NH2-OE1 2.9Å; R47-E88 PolarHBondContact NH2-OE1 3.49Å; R47-E88 IonicContact NH2-OE2 3.35Å; R47-E88 PolarHBondContact NH2-OE2 3.46Å; A84-E88 PolarHBondContact O-N 3.5Å; G85-E88 PolarHBondContact O-N 2.75Å; Q86-E88 VanDerWaalsContact C-N 3.33Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 2.77Å; E88-A91 WeakPolarHBondContact O-CB 3.27Å; E88-A91 PolarHBondContact O-N 2.98Å; E88-A91 VanDerWaalsContact O-N 3.08Å; E88-E92 WeakPolarHBondContact O-CG 3.38Å; E88-E92 PolarHBondContact O-N 3.3Å |
| 89 | V | 98.6 | Very high | 98.3 | Very high | 52 Ų | 52 | 39 Ų | 39 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | G85 Q86 N93 V241 | G85-V89 WeakPolarHBondContact O-CG2 3.31Å; G85-V89 PolarHBondContact O-N 3.37Å; Q86-V89 WeakPolarHBondContact O-CB 3.34Å; Q86-V89 PolarHBondContact O-N 2.96Å; V89-N93 WeakPolarHBondContact CG1-ND2 3.22Å; V89-N93 WeakPolarHBondContact O-CB 3.16Å; V89-N93 PolarHBondContact O-N 3.24Å; V89-N93 PolarHBondContact O-ND2 3.01Å; V89-V241 HydrophobicContact CG1-CG1 4.4Å |
| 90 | I | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -52.6 | 172 | -68.7 | 163.2 | 0 | 0 | 0 | 109.9 | E39 Q86 H87 E88 E92 N93 L94 V237 V241 | E39-I90 HydrophobicContact CG-CG2 3.98Å; Q86-I90 PolarHBondContact O-N 3.46Å; H87-I90 PolarHBondContact O-N 2.67Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 2.77Å; I90-E92 PolarHBondContact O-N 3.07Å; I90-N93 PolarHBondContact O-N 2.97Å; I90-L94 HydrophobicContact CG2-CD1 3.85Å; I90-L94 HydrophobicContact CG2-CG 4.18Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 2.91Å; I90-V237 HydrophobicContact CB-CG1 4.33Å; I90-V237 HydrophobicContact CG2-CG1 4.04Å; I90-V241 HydrophobicContact CD1-CG1 4.35Å; I90-V241 HydrophobicContact CD1-CG2 3.53Å; I90-V241 HydrophobicContact CG1-CB 4.41Å; I90-V241 HydrophobicContact CG1-CG1 3.76Å; I90-V241 HydrophobicContact CG1-CG2 3.8Å |
| 91 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S36 E39 I40 H87 E88 N93 L94 T95 | S36-A91 WeakPolarHBondContact O-CB 3.31Å; E39-A91 HydrophobicContact CB-CB 3.81Å; I40-A91 HydrophobicContact CD1-CB 4.04Å; I40-A91 HydrophobicContact CG1-CB 3.44Å; I40-A91 VanDerWaalsContact CG1-CB 3.44Å; H87-A91 PolarHBondContact O-N 3.01Å; H87-A91 VanDerWaalsContact O-N 3.16Å; E88-A91 WeakPolarHBondContact O-CB 3.27Å; E88-A91 PolarHBondContact O-N 2.98Å; E88-A91 VanDerWaalsContact O-N 3.08Å; A91-N93 VanDerWaalsContact C-N 3.33Å; A91-N93 PolarHBondContact O-N 3.29Å; A91-L94 PolarHBondContact O-N 2.92Å; A91-T95 WeakPolarHBondContact O-CB 3.44Å; A91-T95 PolarHBondContact O-N 3.47Å; A91-T95 PolarHBondContact O-OG1 3.38Å |
| 92 | E | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 39.2 Ų | 39.2 | 57% | 0.565 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.1 | -42.1 | 177.3 | -74.2 | 176 | -175.5 | 0 | 0 | 111.4 | E88 I90 T95 S96 | E88-E92 WeakPolarHBondContact O-CG 3.38Å; E88-E92 PolarHBondContact O-N 3.3Å; I90-E92 PolarHBondContact O-N 3.07Å; E92-T95 PolarHBondContact O-N 3.08Å; E92-S96 WeakPolarHBondContact O-CB 3.22Å; E92-S96 PolarHBondContact O-N 3.11Å; E92-S96 PolarHBondContact O-OG 3.4Å |
| 93 | N | 98.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.2 | -40.9 | 178.5 | -77.1 | -45.3 | 0 | 0 | 0 | 112.8 | V89 I90 A91 T95 Q97 V237 | V89-N93 WeakPolarHBondContact CG1-ND2 3.22Å; V89-N93 WeakPolarHBondContact O-CB 3.16Å; V89-N93 PolarHBondContact O-N 3.24Å; V89-N93 PolarHBondContact O-ND2 3.01Å; I90-N93 PolarHBondContact O-N 2.97Å; A91-N93 VanDerWaalsContact C-N 3.33Å; A91-N93 PolarHBondContact O-N 3.29Å; N93-T95 PolarHBondContact O-N 3.17Å; N93-Q97 VanDerWaalsContact O-CB 3.26Å; N93-Q97 WeakPolarHBondContact O-CB 3.49Å; N93-Q97 WeakPolarHBondContact O-CG 3.47Å; N93-Q97 PolarHBondContact O-N 3.13Å; N93-Q97 PolarHBondContact OD1-NE2 3.04Å; N93-V237 HydrophobicContact CB-CB 4.44Å; N93-V237 HydrophobicContact CB-CG1 3.63Å; N93-V237 HydrophobicContact CB-CG2 3.88Å |
| 94 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 171.7 | -71.4 | 178.8 | 0 | 0 | 0 | 111 | V32 R35 I90 A91 I98 F99 F234 V237 | V32-L94 HydrophobicContact CG1-CB 4.18Å; R35-L94 HydrophobicContact CG-CD1 3.85Å; I90-L94 HydrophobicContact CG2-CD1 3.85Å; I90-L94 HydrophobicContact CG2-CG 4.18Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 2.91Å; A91-L94 PolarHBondContact O-N 2.92Å; L94-I98 HydrophobicContact CD2-CD1 3.95Å; L94-I98 WeakPolarHBondContact O-CB 3.47Å; L94-I98 PolarHBondContact O-N 3.18Å; L94-F99 PolarHBondContact O-N 3.02Å; L94-F99 VanDerWaalsContact O-N 3.09Å; L94-F234 HydrophobicContact CD1-CE2 4.44Å; L94-F234 HydrophobicContact CD2-CD2 3.59Å; L94-F234 HydrophobicContact CD2-CE2 3.96Å; L94-F234 HydrophobicContact CD2-CG 4.17Å; L94-V237 HydrophobicContact CD2-CB 4.25Å; L94-V237 HydrophobicContact CD2-CG1 4.28Å; L94-V237 HydrophobicContact CD2-CG2 4.48Å; L94-V237 HydrophobicContact CG-CG1 4.17Å |
| 95 | T | 98.4 | Very high | 98.4 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -68.1 | -55.2 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | S36 A91 E92 N93 F99 V100 | S36-T95 PolarHBondContact OG-OG1 3.1Å; A91-T95 WeakPolarHBondContact O-CB 3.44Å; A91-T95 PolarHBondContact O-N 3.47Å; A91-T95 PolarHBondContact O-OG1 3.38Å; E92-T95 PolarHBondContact O-N 3.08Å; N93-T95 PolarHBondContact O-N 3.17Å; T95-F99 HydrophobicContact CG2-CD1 4.19Å; T95-F99 WeakPolarHBondContact O-CB 3.43Å; T95-F99 PolarHBondContact O-N 3.44Å; T95-V100 HydrophobicContact CG2-CG2 4.41Å; T95-V100 WeakPolarHBondContact O-CG2 3.43Å; T95-V100 PolarHBondContact O-N 3.15Å |
| 96 | S | 98 | Very high | 98.4 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -73.6 | -44.7 | -172.4 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | E92 | E92-S96 WeakPolarHBondContact O-CB 3.22Å; E92-S96 PolarHBondContact O-N 3.11Å; E92-S96 PolarHBondContact O-OG 3.4Å |
| 97 | Q | 98.1 | Very high | 98.4 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -84.7 | -21.1 | -173 | -55.9 | -175.2 | 32.6 | 0 | 0 | 113.2 | N93 T233 | N93-Q97 VanDerWaalsContact O-CB 3.26Å; N93-Q97 WeakPolarHBondContact O-CB 3.49Å; N93-Q97 WeakPolarHBondContact O-CG 3.47Å; N93-Q97 PolarHBondContact O-N 3.13Å; N93-Q97 PolarHBondContact OD1-NE2 3.04Å; Q97-T233 HydrophobicContact CB-CG2 4.27Å |
| 98 | I | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -120.5 | -62.3 | -176.4 | -53.1 | 173.5 | 0 | 0 | 0 | 110.9 | Y28 V32 L94 E101 L102 C230 T233 F234 | Y28-I98 HydrophobicContact CE1-CG2 4.24Å; V32-I98 HydrophobicContact CB-CG2 4.36Å; V32-I98 HydrophobicContact CG1-CB 4.05Å; V32-I98 HydrophobicContact CG1-CG2 3.94Å; V32-I98 HydrophobicContact CG2-CG2 4.02Å; L94-I98 HydrophobicContact CD2-CD1 3.95Å; L94-I98 WeakPolarHBondContact O-CB 3.47Å; L94-I98 PolarHBondContact O-N 3.18Å; I98-E101 PolarHBondContact O-N 3.07Å; I98-L102 HydrophobicContact CG2-CD1 3.73Å; I98-L102 HydrophobicContact CG2-CG 4.3Å; I98-L102 VanDerWaalsContact O-CB 3.25Å; I98-L102 WeakPolarHBondContact O-CB 3.42Å; I98-L102 WeakPolarHBondContact O-CG 3.42Å; I98-L102 PolarHBondContact O-N 3.43Å; I98-C230 HydrophobicContact CG2-CB 4.04Å; I98-T233 HydrophobicContact CD1-CG2 4.09Å; I98-T233 HydrophobicContact CG1-CG2 3.98Å; I98-F234 HydrophobicContact CD1-CB 3.82Å; I98-F234 HydrophobicContact CD1-CD2 4.27Å |
| 99 | F | 98.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 20% | 0.202 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -62.1 | -51.4 | -171.5 | 169.8 | -102.8 | 0 | 0 | 0 | 113.2 | N29 K33 L94 T95 T103 | N29-F99 VanDerWaalsContact OD1-CA 3.29Å; N29-F99 WeakPolarHBondContact OD1-CA 2.89Å; N29-F99 WeakPolarHBondContact OD1-CD2 3Å; N29-F99 PolarHBondContact OD1-O 3.33Å; N29-F99 VanDerWaalsContact OD1-O 3.11Å; K33-F99 HydrophobicContact CB-CD2 3.73Å; K33-F99 HydrophobicContact CB-CE2 3.85Å; K33-F99 HydrophobicContact CB-CG 4.36Å; K33-F99 HydrophobicContact CD-CD2 4.47Å; K33-F99 HydrophobicContact CD-CE2 3.79Å; K33-F99 HydrophobicContact CD-CZ 3.83Å; K33-F99 HydrophobicContact CG-CD2 4.21Å; K33-F99 HydrophobicContact CG-CE2 4.02Å; K33-F99 HydrophobicContact CG-CZ 4.26Å; L94-F99 PolarHBondContact O-N 3.02Å; L94-F99 VanDerWaalsContact O-N 3.09Å; T95-F99 HydrophobicContact CG2-CD1 4.19Å; T95-F99 WeakPolarHBondContact O-CB 3.43Å; T95-F99 PolarHBondContact O-N 3.44Å; F99-T103 WeakPolarHBondContact O-CB 3.3Å; F99-T103 PolarHBondContact O-N 3.22Å; F99-T103 PolarHBondContact O-OG1 3.32Å |
| 100 | V | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -64.1 | -45 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | T95 T103 R104 | T95-V100 HydrophobicContact CG2-CG2 4.41Å; T95-V100 WeakPolarHBondContact O-CG2 3.43Å; T95-V100 PolarHBondContact O-N 3.15Å; V100-T103 WeakPolarHBondContact O-CB 3.5Å; V100-T103 PolarHBondContact O-N 3.31Å; V100-R104 PolarHBondContact O-N 3.29Å |
| 101 | E | 97.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | -179.3 | -77.8 | -61.4 | 118.5 | 0 | 0 | 113.5 | I98 R104 Y105 R226 | I98-E101 PolarHBondContact O-N 3.07Å; E101-R104 IonicContact OE1-NE 3.47Å; E101-R104 IonicContact OE1-NH2 3.99Å; E101-R104 IonicContact OE2-CZ 3.12Å; E101-R104 IonicContact OE2-NE 3.82Å; E101-R104 IonicContact OE2-NH2 2.64Å; E101-R104 PolarHBondContact OE2-NH2 3.33Å; E101-Y105 WeakPolarHBondContact O-CB 3.36Å; E101-Y105 PolarHBondContact O-N 3.01Å; E101-R226 IonicContact OE2-NH2 2.68Å; E101-R226 PolarHBondContact OE2-NH2 3.43Å |
| 102 | L | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 174 | -78.8 | -179.1 | 0 | 0 | 0 | 111.9 | V25 Y28 N29 I98 Y105 L106 R226 I227 C230 | V25-L102 HydrophobicContact CG1-CD2 4.3Å; Y28-L102 HydrophobicContact CD1-CD1 3.67Å; Y28-L102 HydrophobicContact CE1-CD1 3.89Å; N29-L102 HydrophobicContact CB-CB 4.42Å; I98-L102 HydrophobicContact CG2-CD1 3.73Å; I98-L102 HydrophobicContact CG2-CG 4.3Å; I98-L102 VanDerWaalsContact O-CB 3.25Å; I98-L102 WeakPolarHBondContact O-CB 3.42Å; I98-L102 WeakPolarHBondContact O-CG 3.42Å; I98-L102 PolarHBondContact O-N 3.43Å; L102-Y105 HydrophobicContact CD2-CD1 4.42Å; L102-Y105 PolarHBondContact O-N 3.11Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.42Å; L102-L106 PolarHBondContact O-N 3.49Å; L102-R226 HydrophobicContact CD2-CG 4.25Å; L102-I227 HydrophobicContact CD1-CD1 4.34Å; L102-I227 HydrophobicContact CD2-CD1 4.21Å; L102-C230 HydrophobicContact CD1-CB 4.18Å; L102-C230 VanDerWaalsContact CD2-SG 3.59Å |
| 103 | T | 98.5 | Very high | 98.4 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | N29 F99 V100 L106 Q107 | N29-T103 PolarHBondContact ND2-OG1 3.37Å; F99-T103 WeakPolarHBondContact O-CB 3.3Å; F99-T103 PolarHBondContact O-N 3.22Å; F99-T103 PolarHBondContact O-OG1 3.32Å; V100-T103 WeakPolarHBondContact O-CB 3.5Å; V100-T103 PolarHBondContact O-N 3.31Å; T103-L106 PolarHBondContact O-N 2.92Å; T103-Q107 PolarHBondContact O-N 3.44Å |
| 104 | R | 98.3 | Very high | 98.4 | Very high | 115 Ų | 115 | 56 Ų | 56 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 174.5 | -177.1 | 174.5 | 64.4 | 91.7 | -6 | 111.7 | V100 E101 L106 Q107 E108 | V100-R104 PolarHBondContact O-N 3.29Å; E101-R104 IonicContact OE1-NE 3.47Å; E101-R104 IonicContact OE1-NH2 3.99Å; E101-R104 IonicContact OE2-CZ 3.12Å; E101-R104 IonicContact OE2-NE 3.82Å; E101-R104 IonicContact OE2-NH2 2.64Å; E101-R104 PolarHBondContact OE2-NH2 3.33Å; R104-L106 VanDerWaalsContact C-N 3.29Å; R104-L106 PolarHBondContact O-N 3.02Å; R104-Q107 WeakPolarHBondContact O-CB 3.44Å; R104-Q107 PolarHBondContact O-N 3.39Å; R104-Q107 VanDerWaalsContact O-N 3.15Å; R104-E108 IonicContact NH1-OE1 2.65Å; R104-E108 PolarHBondContact NH1-OE1 3.22Å; R104-E108 VanDerWaalsContact NH1-OE1 3.09Å; R104-E108 PolarHBondContact O-N 3.1Å |
| 105 | Y | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -37.3 | 178.9 | 176.1 | -112.5 | 0 | 0 | 0 | 113 | E101 L102 Q107 E108 L109 R223 R226 | E101-Y105 WeakPolarHBondContact O-CB 3.36Å; E101-Y105 PolarHBondContact O-N 3.01Å; L102-Y105 HydrophobicContact CD2-CD1 4.42Å; L102-Y105 PolarHBondContact O-N 3.11Å; Y105-Q107 VanDerWaalsContact C-N 3.31Å; Y105-Q107 PolarHBondContact O-N 3.16Å; Y105-E108 PolarHBondContact O-N 3.25Å; Y105-L109 HydrophobicContact CE1-CB 4.49Å; Y105-L109 HydrophobicContact CE1-CD2 4.07Å; Y105-L109 VanDerWaalsContact O-CB 3.29Å; Y105-L109 WeakPolarHBondContact O-CB 3.41Å; Y105-L109 PolarHBondContact O-N 3.17Å; Y105-R223 HydrophobicContact CE1-CG 4.46Å; Y105-R223 WeakPolarHBondContact OH-CA 3.44Å; Y105-R223 WeakPolarHBondContact OH-CB 3.49Å; Y105-R223 PolarHBondContact OH-N 3.36Å; Y105-R226 HydrophobicContact CD1-CG 3.87Å; Y105-R226 HydrophobicContact CE1-CB 4.09Å; Y105-R226 HydrophobicContact CE1-CG 3.89Å; Y105-R226 HydrophobicContact CG-CG 4.28Å |
| 106 | L | 98.5 | Very high | 98.4 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 176.3 | -87.2 | 166.6 | 0 | 0 | 0 | 112.9 | I22 V25 E26 N29 L102 T103 R104 K110 | I22-L106 HydrophobicContact CG2-CD2 4.02Å; V25-L106 HydrophobicContact CB-CD2 3.82Å; V25-L106 HydrophobicContact CB-CG 4.46Å; V25-L106 HydrophobicContact CG1-CD1 4.03Å; V25-L106 HydrophobicContact CG1-CD2 3.55Å; V25-L106 HydrophobicContact CG1-CG 3.66Å; E26-L106 HydrophobicContact CG-CD1 3.86Å; E26-L106 HydrophobicContact CG-CD2 3.88Å; N29-L106 HydrophobicContact CB-CD1 4.48Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.42Å; L102-L106 PolarHBondContact O-N 3.49Å; T103-L106 PolarHBondContact O-N 2.92Å; R104-L106 VanDerWaalsContact C-N 3.29Å; R104-L106 PolarHBondContact O-N 3.02Å; L106-K110 WeakPolarHBondContact O-CB 3.33Å; L106-K110 VanDerWaalsContact O-CG 3.31Å; L106-K110 WeakPolarHBondContact O-CG 3.44Å; L106-K110 PolarHBondContact O-N 3.5Å |
| 107 | Q | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 55.8 Ų | 55.8 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.8 | -46.9 | 177.6 | -66.7 | 176.5 | -23.6 | 0 | 0 | 110.9 | T103 R104 Y105 K110 A111 | T103-Q107 PolarHBondContact O-N 3.44Å; R104-Q107 WeakPolarHBondContact O-CB 3.44Å; R104-Q107 PolarHBondContact O-N 3.39Å; R104-Q107 VanDerWaalsContact O-N 3.15Å; Y105-Q107 VanDerWaalsContact C-N 3.31Å; Y105-Q107 PolarHBondContact O-N 3.16Å; Q107-K110 PolarHBondContact O-N 3.4Å; Q107-A111 PolarHBondContact O-N 3.28Å; Q107-A111 VanDerWaalsContact O-N 3.13Å |
| 108 | E | 98.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.3 | -64.3 | 172.3 | -163.5 | 0 | 0 | 111.1 | R104 Y105 K110 A111 E112 | R104-E108 IonicContact NH1-OE1 2.65Å; R104-E108 PolarHBondContact NH1-OE1 3.22Å; R104-E108 VanDerWaalsContact NH1-OE1 3.09Å; R104-E108 PolarHBondContact O-N 3.1Å; Y105-E108 PolarHBondContact O-N 3.25Å; E108-K110 PolarHBondContact O-N 3.46Å; E108-A111 PolarHBondContact O-N 2.67Å; E108-E112 WeakPolarHBondContact O-CB 3.43Å; E108-E112 PolarHBondContact O-N 2.68Å |
| 109 | L | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | -180 | 178.4 | 64.4 | 0 | 0 | 0 | 112.5 | I22 Y105 E112 R113 M219 R223 | I22-L109 HydrophobicContact CD1-CG 4.42Å; I22-L109 HydrophobicContact CG1-CD2 3.77Å; I22-L109 HydrophobicContact CG1-CG 4.12Å; Y105-L109 HydrophobicContact CE1-CB 4.49Å; Y105-L109 HydrophobicContact CE1-CD2 4.07Å; Y105-L109 VanDerWaalsContact O-CB 3.29Å; Y105-L109 WeakPolarHBondContact O-CB 3.41Å; Y105-L109 PolarHBondContact O-N 3.17Å; L109-E112 PolarHBondContact O-N 3.34Å; L109-R113 VanDerWaalsContact O-CB 3.27Å; L109-R113 WeakPolarHBondContact O-CB 3.44Å; L109-R113 PolarHBondContact O-N 3.45Å; L109-M219 HydrophobicContact CD1-CG 3.57Å; L109-M219 HydrophobicContact CD1-SD 3.96Å; L109-R223 HydrophobicContact CD1-CB 4.33Å; L109-R223 HydrophobicContact CD1-CG 4.5Å; L109-R223 HydrophobicContact CD2-CB 4.23Å; L109-R223 HydrophobicContact CD2-CG 3.56Å |
| 110 | K | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.7 | -78.5 | 175.9 | 178.6 | -175.2 | 0 | 111.7 | I22 E26 L106 Q107 E108 K114 | I22-K110 HydrophobicContact CD1-CG 4.03Å; I22-K110 HydrophobicContact CG2-CG 4.14Å; E26-K110 WeakPolarHBondContact OE1-CE 3.49Å; E26-K110 IonicContact OE1-NZ 2.87Å; E26-K110 PolarHBondContact OE1-NZ 3.43Å; L106-K110 WeakPolarHBondContact O-CB 3.33Å; L106-K110 VanDerWaalsContact O-CG 3.31Å; L106-K110 WeakPolarHBondContact O-CG 3.44Å; L106-K110 PolarHBondContact O-N 3.5Å; Q107-K110 PolarHBondContact O-N 3.4Å; E108-K110 PolarHBondContact O-N 3.46Å; K110-K114 WeakPolarHBondContact O-CB 3.36Å; K110-K114 PolarHBondContact O-N 3.14Å |
| 111 | A | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q107 E108 R113 K114 T115 | Q107-A111 PolarHBondContact O-N 3.28Å; Q107-A111 VanDerWaalsContact O-N 3.13Å; E108-A111 PolarHBondContact O-N 2.67Å; A111-R113 PolarHBondContact O-N 2.86Å; A111-K114 PolarHBondContact O-N 3.25Å; A111-T115 PolarHBondContact O-N 2.64Å; A111-T115 VanDerWaalsContact O-N 3.08Å; A111-T115 PolarHBondContact O-OG1 3.44Å |
| 112 | E | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 176.4 | -176.1 | 173.5 | -174 | 0 | 0 | 111.4 | E108 L109 K114 T115 H116 M219 K222 | E108-E112 WeakPolarHBondContact O-CB 3.43Å; E108-E112 PolarHBondContact O-N 2.68Å; L109-E112 PolarHBondContact O-N 3.34Å; E112-K114 PolarHBondContact O-N 3.06Å; E112-T115 PolarHBondContact O-N 3.47Å; E112-H116 VanDerWaalsContact CG-NE2 3.3Å; E112-H116 WeakPolarHBondContact CG-NE2 3.45Å; E112-H116 PolarHBondContact O-CD2 3.33Å; E112-H116 PolarHBondContact O-N 3.21Å; E112-H116 VanDerWaalsContact O-N 3.1Å; E112-H116 IonicContact OE1-NE2 2.75Å; E112-H116 PolarHBondContact OE1-NE2 2.86Å; E112-M219 HydrophobicContact CB-SD 4.36Å; E112-M219 HydrophobicContact CG-CG 4.16Å; E112-M219 HydrophobicContact CG-SD 4.02Å; E112-K222 IonicContact OE2-NZ 3.68Å |
| 113 | R | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 63 Ų | 63 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 175.5 | 179.8 | 179.5 | 174.2 | -80.9 | -0.8 | 111.7 | E15 T18 I22 L109 A111 T115 H116 F117 M219 | E15-R113 PolarHBondContact O-NH2 3.4Å; E15-R113 IonicContact OE1-NH2 3.44Å; T18-R113 PolarHBondContact OG1-NE 2.87Å; I22-R113 HydrophobicContact CD1-CB 4.5Å; I22-R113 VanDerWaalsContact CD1-CD 3.42Å; L109-R113 VanDerWaalsContact O-CB 3.27Å; L109-R113 WeakPolarHBondContact O-CB 3.44Å; L109-R113 PolarHBondContact O-N 3.45Å; A111-R113 PolarHBondContact O-N 2.86Å; R113-T115 VanDerWaalsContact C-N 3.28Å; R113-T115 PolarHBondContact O-N 3.43Å; R113-H116 PolarHBondContact O-N 2.98Å; R113-F117 HydrophobicContact CG-CD2 3.67Å; R113-F117 HydrophobicContact CG-CE2 3.8Å; R113-F117 WeakPolarHBondContact O-CD2 3.33Å; R113-F117 PolarHBondContact O-N 2.97Å; R113-F117 VanDerWaalsContact O-N 3.08Å; R113-M219 VanDerWaalsContact CA-SD 3.54Å; R113-M219 HydrophobicContact CB-CE 4.01Å; R113-M219 HydrophobicContact CB-SD 3.74Å; R113-M219 HydrophobicContact CG-CE 4.16Å |
| 114 | K | 98.7 | Very high | 98.5 | Very high | 157 Ų | 157 | 64.1 Ų | 64.1 | 68% | 0.683 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.4 | -42.4 | -179.2 | -175.2 | 178.8 | 178.2 | -179.1 | 0 | 111.3 | K110 A111 E112 H118 | K110-K114 WeakPolarHBondContact O-CB 3.36Å; K110-K114 PolarHBondContact O-N 3.14Å; A111-K114 PolarHBondContact O-N 3.25Å; E112-K114 PolarHBondContact O-N 3.06Å; K114-H118 WeakPolarHBondContact O-CB 3.47Å; K114-H118 PolarHBondContact O-N 3.46Å |
| 115 | T | 98.7 | Very high | 98.5 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | A111 E112 R113 F117 H118 D119 | A111-T115 PolarHBondContact O-N 2.64Å; A111-T115 VanDerWaalsContact O-N 3.08Å; A111-T115 PolarHBondContact O-OG1 3.44Å; E112-T115 PolarHBondContact O-N 3.47Å; R113-T115 VanDerWaalsContact C-N 3.28Å; R113-T115 PolarHBondContact O-N 3.43Å; T115-F117 PolarHBondContact O-N 3.25Å; T115-H118 WeakPolarHBondContact O-CB 3.23Å; T115-H118 PolarHBondContact O-N 2.98Å; T115-H118 VanDerWaalsContact O-N 3.12Å; T115-D119 PolarHBondContact O-N 2.95Å |
| 116 | H | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | -178.2 | -62.4 | -30.4 | 0 | 0 | 0 | 112.5 | E112 R113 D119 G120 L216 | E112-H116 VanDerWaalsContact CG-NE2 3.3Å; E112-H116 WeakPolarHBondContact CG-NE2 3.45Å; E112-H116 PolarHBondContact O-CD2 3.33Å; E112-H116 PolarHBondContact O-N 3.21Å; E112-H116 VanDerWaalsContact O-N 3.1Å; E112-H116 IonicContact OE1-NE2 2.75Å; E112-H116 PolarHBondContact OE1-NE2 2.86Å; R113-H116 PolarHBondContact O-N 2.98Å; H116-D119 PolarHBondContact O-N 3.45Å; H116-G120 PolarHBondContact O-N 3.29Å; H116-G120 VanDerWaalsContact O-N 3.08Å; H116-L216 HydrophobicContact CB-CD2 3.61Å; H116-L216 HydrophobicContact CB-CG 4.02Å |
| 117 | F | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.5 | -31.2 | 174.5 | -81.4 | -73.8 | 0 | 0 | 0 | 113 | F11 L14 E15 T18 R113 T115 G120 R121 L216 | F11-F117 HydrophobicContact CD1-CD1 4.48Å; F11-F117 AromaticContact CE1-CD1 3.72Å; F11-F117 HydrophobicContact CE1-CD1 3.72Å; F11-F117 HydrophobicContact CE1-CE1 4.23Å; F11-F117 HydrophobicContact CE2-CD1 4.07Å; F11-F117 HydrophobicContact CE2-CE1 4.41Å; F11-F117 AromaticContact CZ-CD1 3.48Å; F11-F117 HydrophobicContact CZ-CD1 3.48Å; F11-F117 VanDerWaalsContact CZ-CD1 3.48Å; F11-F117 HydrophobicContact CZ-CE1 4.15Å; F11-F117 HydrophobicContact CZ-CG 4.48Å; L14-F117 HydrophobicContact CB-CZ 4.36Å; E15-F117 HydrophobicContact CB-CD1 4.1Å; E15-F117 HydrophobicContact CB-CE1 3.52Å; E15-F117 HydrophobicContact CB-CZ 3.8Å; E15-F117 HydrophobicContact CG-CD1 4.11Å; E15-F117 HydrophobicContact CG-CE1 3.96Å; E15-F117 HydrophobicContact CG-CE2 4.41Å; E15-F117 HydrophobicContact CG-CG 4.46Å; E15-F117 HydrophobicContact CG-CZ 4.15Å; T18-F117 WeakPolarHBondContact OG1-CE2 3.45Å; R113-F117 HydrophobicContact CG-CD2 3.67Å; R113-F117 HydrophobicContact CG-CE2 3.8Å; R113-F117 WeakPolarHBondContact O-CD2 3.33Å; R113-F117 PolarHBondContact O-N 2.97Å; R113-F117 VanDerWaalsContact O-N 3.08Å; T115-F117 PolarHBondContact O-N 3.25Å; F117-G120 PolarHBondContact O-N 3.48Å; F117-R121 WeakPolarHBondContact O-CG 3.36Å; F117-R121 PolarHBondContact O-N 3.42Å; F117-L216 HydrophobicContact CD2-CD2 3.9Å; F117-L216 HydrophobicContact CE1-CD1 4.02Å; F117-L216 HydrophobicContact CE2-CD1 4.24Å; F117-L216 HydrophobicContact CE2-CD2 3.45Å; F117-L216 VanDerWaalsContact CE2-CD2 3.45Å; F117-L216 HydrophobicContact CZ-CD1 3.78Å; F117-L216 HydrophobicContact CZ-CD2 3.85Å; F117-L216 HydrophobicContact CZ-CG 4.5Å |
| 118 | H | 98.7 | Very high | 98.5 | Very high | 114 Ų | 114 | 67.8 Ų | 67.8 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 172.4 | 179.2 | 76.9 | 0 | 0 | 0 | 111.4 | K114 T115 G120 R121 K122 | K114-H118 WeakPolarHBondContact O-CB 3.47Å; K114-H118 PolarHBondContact O-N 3.46Å; T115-H118 WeakPolarHBondContact O-CB 3.23Å; T115-H118 PolarHBondContact O-N 2.98Å; T115-H118 VanDerWaalsContact O-N 3.12Å; H118-G120 VanDerWaalsContact C-N 3.28Å; H118-G120 PolarHBondContact O-N 3.27Å; H118-R121 PolarHBondContact O-N 3.11Å; H118-K122 WeakPolarHBondContact O-CB 3.41Å; H118-K122 PolarHBondContact O-N 2.91Å |
| 119 | D | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 67 Ų | 67 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.3 | -74.8 | -11.1 | 0 | 0 | 0 | 111.5 | T115 H116 K122 A123 I212 | T115-D119 PolarHBondContact O-N 2.95Å; H116-D119 PolarHBondContact O-N 3.45Å; D119-K122 PolarHBondContact O-N 3.05Å; D119-A123 PolarHBondContact O-N 3.19Å; D119-I212 HydrophobicContact CB-CD1 4.24Å; D119-I212 HydrophobicContact CB-CG1 4.46Å |
| 120 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H116 F117 H118 K122 A123 Q124 | H116-G120 PolarHBondContact O-N 3.29Å; H116-G120 VanDerWaalsContact O-N 3.08Å; F117-G120 PolarHBondContact O-N 3.48Å; H118-G120 VanDerWaalsContact C-N 3.28Å; H118-G120 PolarHBondContact O-N 3.27Å; G120-K122 VanDerWaalsContact C-N 3.31Å; G120-K122 PolarHBondContact O-N 3.29Å; G120-A123 WeakPolarHBondContact O-CB 3.33Å; G120-A123 PolarHBondContact O-N 3.17Å; G120-Q124 WeakPolarHBondContact O-CG 3.41Å; G120-Q124 PolarHBondContact O-N 3Å |
| 121 | R | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 68.9 Ų | 68.9 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.5 | -71.3 | 179.2 | -169.3 | 117.7 | 3.3 | 111.8 | F11 E15 F117 H118 A123 Q124 Q125 | F11-R121 HydrophobicContact CE1-CG 4.1Å; F11-R121 HydrophobicContact CZ-CG 4.02Å; E15-R121 IonicContact OE1-CZ 3.41Å; E15-R121 IonicContact OE1-NH2 2.93Å; E15-R121 PolarHBondContact OE1-NH2 3.36Å; E15-R121 IonicContact OE2-NH2 3.62Å; E15-R121 PolarHBondContact OE2-NH2 3.37Å; F117-R121 WeakPolarHBondContact O-CG 3.36Å; F117-R121 PolarHBondContact O-N 3.42Å; H118-R121 PolarHBondContact O-N 3.11Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.07Å; R121-Q124 PolarHBondContact O-N 2.91Å; R121-Q125 WeakPolarHBondContact O-CB 3.48Å; R121-Q125 VanDerWaalsContact O-CG 3.26Å; R121-Q125 WeakPolarHBondContact O-CG 3.33Å; R121-Q125 PolarHBondContact O-N 3.43Å |
| 122 | K | 98.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 71.9 Ų | 71.9 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 175.9 | -173.9 | 178.8 | -180 | 179.4 | 0 | 111.4 | H118 D119 G120 Y126 | H118-K122 WeakPolarHBondContact O-CB 3.41Å; H118-K122 PolarHBondContact O-N 2.91Å; D119-K122 PolarHBondContact O-N 3.05Å; G120-K122 VanDerWaalsContact C-N 3.31Å; G120-K122 PolarHBondContact O-N 3.29Å; K122-Y126 WeakPolarHBondContact O-CB 3.49Å; K122-Y126 PolarHBondContact O-N 2.9Å |
| 123 | A | 98.3 | Very high | 98.4 | Very high | 11 Ų | 11 | 72.6 Ų | 72.6 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D119 G120 R121 Y126 I127 H204 I208 I212 | D119-A123 PolarHBondContact O-N 3.19Å; G120-A123 WeakPolarHBondContact O-CB 3.33Å; G120-A123 PolarHBondContact O-N 3.17Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.07Å; A123-Y126 PolarHBondContact O-N 3.43Å; A123-I127 PolarHBondContact O-N 3.23Å; A123-H204 PolarHBondContact O-CE1 3.19Å; A123-H204 PolarHBondContact O-ND1 3.39Å; A123-I208 HydrophobicContact CB-CG2 3.75Å; A123-I212 HydrophobicContact CB-CD1 4.13Å |
| 124 | Q | 97.5 | Very high | 98.3 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 175.6 | -72.5 | 174.6 | -24.9 | 0 | 0 | 112.1 | G120 R121 Y126 I127 E128 | G120-Q124 WeakPolarHBondContact O-CG 3.41Å; G120-Q124 PolarHBondContact O-N 3Å; R121-Q124 PolarHBondContact O-N 2.91Å; Q124-Y126 VanDerWaalsContact C-N 3.27Å; Q124-Y126 PolarHBondContact O-N 3.46Å; Q124-I127 VanDerWaalsContact O-CG2 3.27Å; Q124-I127 WeakPolarHBondContact O-CG2 3.45Å; Q124-I127 PolarHBondContact O-N 2.87Å; Q124-E128 WeakPolarHBondContact O-CB 3.48Å; Q124-E128 PolarHBondContact O-N 2.88Å |
| 125 | Q | 98.4 | Very high | 98.3 | Very high | 119 Ų | 119 | 66 Ų | 66 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.2 | -37.4 | 176.5 | -73.2 | 171.7 | 0.9 | 0 | 0 | 112.1 | R121 S129 | R121-Q125 WeakPolarHBondContact O-CB 3.48Å; R121-Q125 VanDerWaalsContact O-CG 3.26Å; R121-Q125 WeakPolarHBondContact O-CG 3.33Å; R121-Q125 PolarHBondContact O-N 3.43Å; Q125-S129 WeakPolarHBondContact O-CB 3.41Å; Q125-S129 PolarHBondContact O-N 3.38Å; Q125-S129 PolarHBondContact O-OG 3.35Å |
| 126 | Y | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 66 Ų | 66 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -51.9 | 176.9 | -178.5 | -100.5 | 0 | 0 | 0 | 111.7 | K122 A123 Q124 E128 S129 S130 E200 | K122-Y126 WeakPolarHBondContact O-CB 3.49Å; K122-Y126 PolarHBondContact O-N 2.9Å; A123-Y126 PolarHBondContact O-N 3.43Å; Q124-Y126 VanDerWaalsContact C-N 3.27Å; Q124-Y126 PolarHBondContact O-N 3.46Å; Y126-E128 VanDerWaalsContact C-N 3.34Å; Y126-E128 PolarHBondContact O-N 3.45Å; Y126-S129 PolarHBondContact O-N 2.99Å; Y126-S130 PolarHBondContact O-N 2.94Å; Y126-E200 HydrophobicContact CE1-CB 4.48Å; Y126-E200 HydrophobicContact CE1-CG 4.25Å; Y126-E200 PolarHBondContact OH-OE1 2.8Å |
| 127 | I | 98.1 | Very high | 98.2 | Very high | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -35.3 | -178.1 | -166.2 | 62.8 | 0 | 0 | 0 | 111.9 | A123 Q124 S130 W131 F197 E200 Q201 H204 | A123-I127 PolarHBondContact O-N 3.23Å; Q124-I127 VanDerWaalsContact O-CG2 3.27Å; Q124-I127 WeakPolarHBondContact O-CG2 3.45Å; Q124-I127 PolarHBondContact O-N 2.87Å; I127-S130 PolarHBondContact O-N 3.28Å; I127-W131 WeakPolarHBondContact O-CB 3.47Å; I127-W131 PolarHBondContact O-N 3.36Å; I127-F197 HydrophobicContact CD1-CD2 4.23Å; I127-F197 HydrophobicContact CD1-CE2 3.68Å; I127-F197 HydrophobicContact CD1-CZ 4.31Å; I127-F197 HydrophobicContact CG1-CE2 4.16Å; I127-E200 HydrophobicContact CD1-CB 4.24Å; I127-Q201 HydrophobicContact CD1-CB 4.19Å; I127-H204 HydrophobicContact CD1-CB 4.48Å |
| 128 | E | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 70.1 Ų | 70.1 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 174.6 | -167.8 | -168.2 | 162.9 | 0 | 0 | 111.7 | Q124 Y126 W131 K132 | Q124-E128 WeakPolarHBondContact O-CB 3.48Å; Q124-E128 PolarHBondContact O-N 2.88Å; Y126-E128 VanDerWaalsContact C-N 3.34Å; Y126-E128 PolarHBondContact O-N 3.45Å; E128-W131 PolarHBondContact O-N 3.4Å; E128-K132 WeakPolarHBondContact O-CG 3.31Å; E128-K132 PolarHBondContact O-N 2.86Å; E128-K132 WeakPolarHBondContact OE1-CE 3.37Å; E128-K132 IonicContact OE1-NZ 2.74Å; E128-K132 PolarHBondContact OE1-NZ 3.08Å |
| 129 | S | 98.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 177 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | Q125 Y126 K132 Q133 | Q125-S129 WeakPolarHBondContact O-CB 3.41Å; Q125-S129 PolarHBondContact O-N 3.38Å; Q125-S129 PolarHBondContact O-OG 3.35Å; Y126-S129 PolarHBondContact O-N 2.99Å; S129-K132 PolarHBondContact O-N 3.16Å; S129-Q133 PolarHBondContact O-N 2.75Å; S129-Q133 VanDerWaalsContact O-N 3.1Å |
| 130 | S | 97.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 73.9 Ų | 73.9 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.2 | -171 | 0 | 0 | 0 | 0 | 112.1 | Y126 I127 K132 Q133 L134 E200 | Y126-S130 PolarHBondContact O-N 2.94Å; I127-S130 PolarHBondContact O-N 3.28Å; S130-K132 PolarHBondContact O-N 3.44Å; S130-Q133 WeakPolarHBondContact O-CB 3.48Å; S130-Q133 PolarHBondContact O-N 3.44Å; S130-L134 PolarHBondContact O-N 3.02Å; S130-E200 VanDerWaalsContact CB-OE2 3.25Å; S130-E200 WeakPolarHBondContact CB-OE2 3.46Å; S130-E200 PolarHBondContact OG-OE2 3.17Å |
| 131 | W | 98.2 | Very high | 98.2 | Very high | 125 Ų | 125 | 76.1 Ų | 76.1 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 173.4 | 175.5 | -107.7 | 0 | 0 | 0 | 112.5 | I127 E128 Q133 L134 E135 F197 | I127-W131 WeakPolarHBondContact O-CB 3.47Å; I127-W131 PolarHBondContact O-N 3.36Å; E128-W131 PolarHBondContact O-N 3.4Å; W131-Q133 VanDerWaalsContact C-N 3.26Å; W131-Q133 PolarHBondContact O-N 2.57Å; W131-L134 HydrophobicContact CE3-CD2 4.03Å; W131-L134 HydrophobicContact CZ3-CD2 4Å; W131-L134 PolarHBondContact O-N 2.88Å; W131-E135 WeakPolarHBondContact O-CB 3.33Å; W131-E135 PolarHBondContact O-N 3.2Å; W131-F197 HydrophobicContact CB-CD2 4.44Å; W131-F197 HydrophobicContact CB-CE2 3.68Å; W131-F197 HydrophobicContact CB-CZ 4.15Å; W131-F197 HydrophobicContact CD2-CZ 4.29Å; W131-F197 HydrophobicContact CE3-CD1 4.28Å; W131-F197 AromaticContact CE3-CE1 3.61Å; W131-F197 HydrophobicContact CE3-CE1 3.61Å; W131-F197 AromaticContact CE3-CE2 3.99Å; W131-F197 HydrophobicContact CE3-CE2 3.99Å; W131-F197 AromaticContact CE3-CZ 3.45Å; W131-F197 HydrophobicContact CE3-CZ 3.45Å; W131-F197 VanDerWaalsContact CE3-CZ 3.45Å; W131-F197 AromaticContact CZ3-CE1 3.95Å; W131-F197 HydrophobicContact CZ3-CE1 3.95Å; W131-F197 HydrophobicContact CZ3-CZ 4.21Å |
| 132 | K | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 76.2 Ų | 76.2 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -38.2 | 176.5 | -74.9 | 171.9 | -176.5 | 164.2 | 0 | 111.8 | E128 S129 S130 S136 | E128-K132 WeakPolarHBondContact O-CG 3.31Å; E128-K132 PolarHBondContact O-N 2.86Å; E128-K132 WeakPolarHBondContact OE1-CE 3.37Å; E128-K132 IonicContact OE1-NZ 2.74Å; E128-K132 PolarHBondContact OE1-NZ 3.08Å; S129-K132 PolarHBondContact O-N 3.16Å; S130-K132 PolarHBondContact O-N 3.44Å; K132-S136 WeakPolarHBondContact O-CB 3.48Å; K132-S136 PolarHBondContact O-N 2.65Å |
| 133 | Q | 97.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 76.2 Ų | 76.2 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 175.8 | -171.7 | 170.5 | 32.4 | 0 | 0 | 111.7 | S129 S130 W131 E135 S136 C137 Y193 | S129-Q133 PolarHBondContact O-N 2.75Å; S129-Q133 VanDerWaalsContact O-N 3.1Å; S130-Q133 WeakPolarHBondContact O-CB 3.48Å; S130-Q133 PolarHBondContact O-N 3.44Å; W131-Q133 VanDerWaalsContact C-N 3.26Å; W131-Q133 PolarHBondContact O-N 2.57Å; Q133-E135 PolarHBondContact O-N 3.45Å; Q133-S136 WeakPolarHBondContact O-CB 3.45Å; Q133-S136 PolarHBondContact O-N 3.25Å; Q133-C137 PolarHBondContact O-N 3.43Å; Q133-C137 PolarHBondContact O-SG 2.95Å; Q133-Y193 HydrophobicContact CG-CD1 3.9Å; Q133-Y193 HydrophobicContact CG-CE1 3.67Å; Q133-Y193 PolarHBondContact NE2-OH 2.92Å; Q133-Y193 VanDerWaalsContact NE2-OH 3.11Å |
| 134 | L | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -47.9 | 175.5 | 175.2 | 61.9 | 0 | 0 | 0 | 111.8 | S130 W131 S136 C137 K138 Y190 L194 F197 | S130-L134 PolarHBondContact O-N 3.02Å; W131-L134 HydrophobicContact CE3-CD2 4.03Å; W131-L134 HydrophobicContact CZ3-CD2 4Å; W131-L134 PolarHBondContact O-N 2.88Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.17Å; L134-C137 PolarHBondContact O-N 3.35Å; L134-K138 WeakPolarHBondContact O-CB 3.35Å; L134-K138 PolarHBondContact O-N 3.49Å; L134-Y190 HydrophobicContact CD1-CD2 3.84Å; L134-Y190 HydrophobicContact CD1-CE2 3.61Å; L134-Y190 HydrophobicContact CG-CE2 4.47Å; L134-L194 HydrophobicContact CD1-CB 3.9Å; L134-L194 HydrophobicContact CD1-CD1 4.22Å; L134-L194 HydrophobicContact CD2-CD1 3.96Å; L134-F197 HydrophobicContact CB-CB 4.46Å; L134-F197 HydrophobicContact CD2-CB 3.87Å; L134-F197 HydrophobicContact CD2-CD1 3.57Å; L134-F197 HydrophobicContact CD2-CE1 4.3Å; L134-F197 HydrophobicContact CD2-CG 3.71Å |
| 135 | E | 98.4 | Very high | 98.2 | Very high | 40 Ų | 40 | 74.4 Ų | 74.4 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | -178.7 | -176.9 | 57.2 | -156.6 | 0 | 0 | 111.5 | W131 Q133 K138 R139 | W131-E135 WeakPolarHBondContact O-CB 3.33Å; W131-E135 PolarHBondContact O-N 3.2Å; Q133-E135 PolarHBondContact O-N 3.45Å; E135-K138 PolarHBondContact O-N 2.94Å; E135-R139 WeakPolarHBondContact O-CB 3.29Å; E135-R139 VanDerWaalsContact O-CG 3.29Å; E135-R139 WeakPolarHBondContact O-CG 3.32Å; E135-R139 PolarHBondContact O-N 3.37Å; E135-R139 IonicContact OE1-CZ 3.67Å; E135-R139 IonicContact OE1-NE 3.22Å; E135-R139 PolarHBondContact OE1-NE 3.38Å; E135-R139 IonicContact OE1-NH2 3.09Å; E135-R139 PolarHBondContact OE1-NH2 3.3Å |
| 136 | S | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 74 Ų | 74 | 54% | 0.538 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | K132 Q133 L134 K138 R139 R140 | K132-S136 WeakPolarHBondContact O-CB 3.48Å; K132-S136 PolarHBondContact O-N 2.65Å; Q133-S136 WeakPolarHBondContact O-CB 3.45Å; Q133-S136 PolarHBondContact O-N 3.25Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.17Å; S136-K138 PolarHBondContact O-N 3.49Å; S136-R139 PolarHBondContact O-N 3.49Å; S136-R140 PolarHBondContact O-N 3.09Å |
| 137 | C | 97.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 70.4 Ų | 70.4 | 14% | 0.142 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 177.2 | -70.4 | 0 | 0 | 0 | 0 | 112 | Q133 L134 R140 F141 Y193 | Q133-C137 PolarHBondContact O-N 3.43Å; Q133-C137 PolarHBondContact O-SG 2.95Å; L134-C137 PolarHBondContact O-N 3.35Å; C137-R140 PolarHBondContact O-N 3Å; C137-F141 PolarHBondContact O-N 3.05Å; C137-Y193 HydrophobicContact CB-CD2 4.27Å; C137-Y193 WeakPolarHBondContact SG-CD2 3.49Å |
| 138 | K | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 69.7 Ų | 69.7 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 175.4 | -176.6 | -175.8 | 171 | -168.5 | 0 | 111.8 | L134 E135 S136 R140 F141 E142 Y190 | L134-K138 WeakPolarHBondContact O-CB 3.35Å; L134-K138 PolarHBondContact O-N 3.49Å; E135-K138 PolarHBondContact O-N 2.94Å; S136-K138 PolarHBondContact O-N 3.49Å; K138-R140 VanDerWaalsContact C-N 3.34Å; K138-R140 PolarHBondContact O-N 3.22Å; K138-F141 PolarHBondContact O-N 2.96Å; K138-E142 PolarHBondContact O-N 3.17Å; K138-Y190 HydrophobicContact CB-CD2 3.81Å; K138-Y190 HydrophobicContact CB-CE2 3.66Å; K138-Y190 HydrophobicContact CD-CE2 4.33Å; K138-Y190 HydrophobicContact CG-CD2 4.41Å; K138-Y190 HydrophobicContact CG-CE2 3.92Å |
| 139 | R | 98.4 | Very high | 98.2 | Very high | 149 Ų | 149 | 69.2 Ų | 69.2 | 56% | 0.562 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.2 | -36.8 | 177.6 | -73 | 175.3 | -173.7 | -163.5 | 1.2 | 112.6 | E135 S136 R143 | E135-R139 WeakPolarHBondContact O-CB 3.29Å; E135-R139 VanDerWaalsContact O-CG 3.29Å; E135-R139 WeakPolarHBondContact O-CG 3.32Å; E135-R139 PolarHBondContact O-N 3.37Å; E135-R139 IonicContact OE1-CZ 3.67Å; E135-R139 IonicContact OE1-NE 3.22Å; E135-R139 PolarHBondContact OE1-NE 3.38Å; E135-R139 IonicContact OE1-NH2 3.09Å; E135-R139 PolarHBondContact OE1-NH2 3.3Å; S136-R139 PolarHBondContact O-N 3.49Å; R139-R143 PolarHBondContact O-N 3.43Å |
| 140 | R | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 173.6 | 180 | 178.3 | 171.5 | -136.2 | -2.7 | 110.8 | S136 C137 K138 E142 R143 D144 D189 | S136-R140 PolarHBondContact O-N 3.09Å; C137-R140 PolarHBondContact O-N 3Å; K138-R140 VanDerWaalsContact C-N 3.34Å; K138-R140 PolarHBondContact O-N 3.22Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 PolarHBondContact O-N 3.39Å; R140-R143 WeakPolarHBondContact O-CB 3.47Å; R140-R143 PolarHBondContact O-N 2.94Å; R140-R143 VanDerWaalsContact O-N 3.16Å; R140-D144 IonicContact NE-OD2 3.91Å; R140-D144 PolarHBondContact O-N 3.21Å; R140-D189 IonicContact CZ-OD2 3.49Å; R140-D189 IonicContact NH1-OD2 2.6Å; R140-D189 PolarHBondContact NH1-OD2 3.5Å |
| 141 | F | 98.5 | Very high | 98.1 | Very high | 48 Ų | 48 | 73.2 Ų | 73.2 | 21% | 0.211 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 176.8 | 172.7 | -123.4 | 0 | 0 | 0 | 112.2 | C137 K138 R143 D144 C145 K187 Y190 | C137-F141 PolarHBondContact O-N 3.05Å; K138-F141 PolarHBondContact O-N 2.96Å; F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 2.99Å; F141-D144 PolarHBondContact O-N 3.31Å; F141-C145 WeakPolarHBondContact CE2-SG 3.33Å; F141-C145 WeakPolarHBondContact CZ-SG 3.17Å; F141-C145 PolarHBondContact O-N 2.67Å; F141-C145 PolarHBondContact O-SG 2.99Å; F141-K187 HydrophobicContact CD2-CB 3.8Å; F141-K187 HydrophobicContact CD2-CG 4.49Å; F141-K187 HydrophobicContact CE2-CB 3.43Å; F141-K187 VanDerWaalsContact CE2-CB 3.43Å; F141-K187 HydrophobicContact CE2-CD 4.3Å; F141-K187 HydrophobicContact CE2-CG 3.83Å; F141-K187 HydrophobicContact CZ-CB 4.04Å; F141-K187 HydrophobicContact CZ-CD 4.25Å; F141-K187 HydrophobicContact CZ-CG 3.89Å; F141-Y190 AromaticContact CD1-CD1 3.9Å; F141-Y190 HydrophobicContact CD1-CD1 3.9Å; F141-Y190 HydrophobicContact CE1-CD1 4.4Å |
| 142 | E | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 69.7 Ų | 69.7 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.9 | -170.1 | -170.4 | 161.2 | 0 | 0 | 112.2 | K138 R140 K146 | K138-E142 PolarHBondContact O-N 3.17Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 PolarHBondContact O-N 3.39Å; E142-K146 WeakPolarHBondContact O-CG 3.06Å; E142-K146 PolarHBondContact O-N 3.03Å; E142-K146 VanDerWaalsContact O-N 3.16Å; E142-K146 WeakPolarHBondContact OE1-CE 3.37Å; E142-K146 IonicContact OE1-NZ 3.74Å; E142-K146 PolarHBondContact OE1-NZ 3.45Å |
| 143 | R | 98.4 | Very high | 98.1 | Very high | 134 Ų | 134 | 69.1 Ų | 69.1 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 177 | -171.5 | -168 | -52.6 | 124.8 | 3.7 | 111.6 | R139 R140 F141 C145 K146 E147 | R139-R143 PolarHBondContact O-N 3.43Å; R140-R143 WeakPolarHBondContact O-CB 3.47Å; R140-R143 PolarHBondContact O-N 2.94Å; R140-R143 VanDerWaalsContact O-N 3.16Å; F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 2.99Å; R143-C145 VanDerWaalsContact C-N 3.3Å; R143-C145 PolarHBondContact O-N 2.65Å; R143-K146 PolarHBondContact O-N 3.14Å; R143-E147 WeakPolarHBondContact O-CG 3.33Å; R143-E147 PolarHBondContact O-N 3.38Å |
| 144 | D | 98.2 | Very high | 98 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | -177.7 | -66.7 | -15.6 | 0 | 0 | 0 | 110.9 | R140 F141 E147 A148 A183 S186 | R140-D144 IonicContact NE-OD2 3.91Å; R140-D144 PolarHBondContact O-N 3.21Å; F141-D144 PolarHBondContact O-N 3.31Å; D144-E147 PolarHBondContact O-N 2.9Å; D144-A148 WeakPolarHBondContact O-CB 3.46Å; D144-A148 PolarHBondContact O-N 2.72Å; D144-A183 HydrophobicContact CB-CB 4.13Å; D144-S186 WeakPolarHBondContact CB-OG 3.5Å; D144-S186 WeakPolarHBondContact OD2-CB 3.49Å; D144-S186 PolarHBondContact OD2-OG 3.35Å |
| 145 | C | 98.2 | Very high | 98 | Very high | 36 Ų | 36 | 73 Ų | 73 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 171.6 | -70.6 | 0 | 0 | 0 | 0 | 112 | F141 R143 E147 A148 D149 | F141-C145 WeakPolarHBondContact CE2-SG 3.33Å; F141-C145 WeakPolarHBondContact CZ-SG 3.17Å; F141-C145 PolarHBondContact O-N 2.67Å; F141-C145 PolarHBondContact O-SG 2.99Å; R143-C145 VanDerWaalsContact C-N 3.3Å; R143-C145 PolarHBondContact O-N 2.65Å; C145-E147 PolarHBondContact O-N 3.39Å; C145-A148 PolarHBondContact O-N 2.86Å; C145-A148 VanDerWaalsContact O-N 3.15Å; C145-D149 VanDerWaalsContact O-CG 3.31Å; C145-D149 PolarHBondContact O-N 3.28Å |
| 146 | K | 98.3 | Very high | 97.9 | Very high | 111 Ų | 111 | 75.8 Ų | 75.8 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -29.4 | 177.5 | -70.7 | 174.9 | -173.8 | 170.8 | 0 | 112.5 | E142 R143 R150 | E142-K146 WeakPolarHBondContact O-CG 3.06Å; E142-K146 PolarHBondContact O-N 3.03Å; E142-K146 VanDerWaalsContact O-N 3.16Å; E142-K146 WeakPolarHBondContact OE1-CE 3.37Å; E142-K146 IonicContact OE1-NZ 3.74Å; E142-K146 PolarHBondContact OE1-NZ 3.45Å; R143-K146 PolarHBondContact O-N 3.14Å; K146-R150 WeakPolarHBondContact O-CB 3.38Å; K146-R150 VanDerWaalsContact O-CG 3.3Å; K146-R150 WeakPolarHBondContact O-CG 3.47Å; K146-R150 PolarHBondContact O-N 3.11Å; K146-R150 PolarHBondContact O-NE 3.1Å; K146-R150 VanDerWaalsContact O-NE 3.08Å |
| 147 | E | 97.9 | Very high | 97.8 | Very high | 46 Ų | 46 | 78.9 Ų | 78.9 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -75.9 | -39.9 | 174.8 | -77.1 | 178 | -168.9 | 0 | 0 | 112.3 | R143 D144 C145 R150 A151 R179 | R143-E147 WeakPolarHBondContact O-CG 3.33Å; R143-E147 PolarHBondContact O-N 3.38Å; D144-E147 PolarHBondContact O-N 2.9Å; C145-E147 PolarHBondContact O-N 3.39Å; E147-R150 IonicContact OE1-NH2 3.84Å; E147-A151 WeakPolarHBondContact O-CB 3.39Å; E147-A151 PolarHBondContact O-N 3.45Å; E147-R179 IonicContact OE2-CZ 3.33Å; E147-R179 IonicContact OE2-NH1 3.93Å; E147-R179 PolarHBondContact OE2-NH1 3Å; E147-R179 IonicContact OE2-NH2 3.82Å |
| 148 | A | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 79.6 Ų | 79.6 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D144 C145 R150 A151 Q152 R179 A183 | D144-A148 WeakPolarHBondContact O-CB 3.46Å; D144-A148 PolarHBondContact O-N 2.72Å; C145-A148 PolarHBondContact O-N 2.86Å; C145-A148 VanDerWaalsContact O-N 3.15Å; A148-R150 VanDerWaalsContact C-N 3.33Å; A148-R150 PolarHBondContact O-N 3.41Å; A148-A151 PolarHBondContact O-N 2.8Å; A148-A151 VanDerWaalsContact O-N 3.17Å; A148-Q152 VanDerWaalsContact O-CB 3.3Å; A148-Q152 WeakPolarHBondContact O-CB 3.41Å; A148-Q152 PolarHBondContact O-N 2.98Å; A148-R179 HydrophobicContact CB-CB 4.22Å; A148-A183 HydrophobicContact CB-CB 4.12Å |
| 149 | D | 97.9 | Very high | 97.5 | Very high | 89 Ų | 89 | 80.4 Ų | 80.4 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 178.7 | -67.3 | -21.6 | 0 | 0 | 0 | 112 | C145 Q152 Q153 | C145-D149 VanDerWaalsContact O-CG 3.31Å; C145-D149 PolarHBondContact O-N 3.28Å; D149-Q152 PolarHBondContact O-N 2.99Å; D149-Q153 WeakPolarHBondContact O-CB 3.26Å; D149-Q153 VanDerWaalsContact O-CG 3.27Å; D149-Q153 WeakPolarHBondContact O-CG 3.5Å; D149-Q153 PolarHBondContact O-N 2.9Å |
| 150 | R | 98.2 | Very high | 97.4 | Very high | 149 Ų | 149 | 77.3 Ų | 77.3 | 56% | 0.562 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 175.8 | -81.4 | -175.8 | -70.4 | 147.8 | -11.4 | 112.4 | K146 E147 A148 Q152 Y154 | K146-R150 WeakPolarHBondContact O-CB 3.38Å; K146-R150 VanDerWaalsContact O-CG 3.3Å; K146-R150 WeakPolarHBondContact O-CG 3.47Å; K146-R150 PolarHBondContact O-N 3.11Å; K146-R150 PolarHBondContact O-NE 3.1Å; K146-R150 VanDerWaalsContact O-NE 3.08Å; E147-R150 IonicContact OE1-NH2 3.84Å; A148-R150 VanDerWaalsContact C-N 3.33Å; A148-R150 PolarHBondContact O-N 3.41Å; R150-Q152 VanDerWaalsContact C-N 3.33Å; R150-Y154 WeakPolarHBondContact O-CB 3.34Å; R150-Y154 PolarHBondContact O-N 3.09Å |
| 151 | A | 97.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 75.7 Ų | 75.7 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E147 A148 Y154 F155 A176 R179 | E147-A151 WeakPolarHBondContact O-CB 3.39Å; E147-A151 PolarHBondContact O-N 3.45Å; A148-A151 PolarHBondContact O-N 2.8Å; A148-A151 VanDerWaalsContact O-N 3.17Å; A151-Y154 PolarHBondContact O-N 2.95Å; A151-F155 PolarHBondContact O-N 3.28Å; A151-A176 HydrophobicContact CB-CB 4.32Å; A151-R179 HydrophobicContact CB-CB 4.1Å; A151-R179 HydrophobicContact CB-CG 3.89Å |
| 152 | Q | 97.8 | Very high | 96.7 | Very high | 51 Ų | 51 | 81 Ų | 81 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 176.3 | -176.2 | 57.8 | 30.1 | 0 | 0 | 111.6 | A148 D149 R150 Y154 F155 E156 | A148-Q152 VanDerWaalsContact O-CB 3.3Å; A148-Q152 WeakPolarHBondContact O-CB 3.41Å; A148-Q152 PolarHBondContact O-N 2.98Å; D149-Q152 PolarHBondContact O-N 2.99Å; R150-Q152 VanDerWaalsContact C-N 3.33Å; Q152-Y154 VanDerWaalsContact C-N 3.26Å; Q152-Y154 PolarHBondContact O-N 3.14Å; Q152-F155 WeakPolarHBondContact O-CB 3.32Å; Q152-F155 PolarHBondContact O-N 3.37Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.25Å; Q152-E156 PolarHBondContact NE2-OE1 2.77Å; Q152-E156 WeakPolarHBondContact O-CG 3.4Å; Q152-E156 PolarHBondContact O-N 2.81Å |
| 153 | Q | 97.6 | Very high | 96.5 | Very high | 107 Ų | 107 | 83.1 Ų | 83.1 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 174.3 | -72.3 | 172.5 | 24 | 0 | 0 | 112.6 | D149 K157 | D149-Q153 WeakPolarHBondContact O-CB 3.26Å; D149-Q153 VanDerWaalsContact O-CG 3.27Å; D149-Q153 WeakPolarHBondContact O-CG 3.5Å; D149-Q153 PolarHBondContact O-N 2.9Å; Q153-K157 WeakPolarHBondContact O-CB 3.42Å; Q153-K157 VanDerWaalsContact O-CG 3.28Å; Q153-K157 WeakPolarHBondContact O-CG 3.42Å; Q153-K157 PolarHBondContact O-N 3.44Å; Q153-K157 VanDerWaalsContact O-N 3.11Å |
| 154 | Y | 96.6 | Very high | 96.2 | Very high | 130 Ų | 130 | 78.5 Ų | 78.5 | 51% | 0.51 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 175.6 | 179.3 | -106 | 0 | 0 | 0 | 111.5 | R150 A151 Q152 K157 M158 A172 | R150-Y154 WeakPolarHBondContact O-CB 3.34Å; R150-Y154 PolarHBondContact O-N 3.09Å; A151-Y154 PolarHBondContact O-N 2.95Å; Q152-Y154 VanDerWaalsContact C-N 3.26Å; Q152-Y154 PolarHBondContact O-N 3.14Å; Y154-K157 PolarHBondContact O-N 2.93Å; Y154-M158 HydrophobicContact CD1-CG 4.27Å; Y154-M158 HydrophobicContact CD2-CG 4.45Å; Y154-M158 HydrophobicContact CE1-CG 3.87Å; Y154-M158 HydrophobicContact CE2-CE 4.01Å; Y154-M158 HydrophobicContact CE2-CG 4.05Å; Y154-M158 HydrophobicContact CE2-SD 4.11Å; Y154-M158 VanDerWaalsContact O-CG 3.3Å; Y154-M158 WeakPolarHBondContact O-CG 3.39Å; Y154-M158 PolarHBondContact O-N 2.6Å; Y154-A172 HydrophobicContact CD1-CB 4Å; Y154-A172 HydrophobicContact CE1-CB 3.93Å |
| 155 | F | 97.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 81.6 Ų | 81.6 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 173.4 | 161.4 | -109.5 | 0 | 0 | 0 | 111.7 | A151 Q152 K157 M158 D159 V169 A172 R173 A176 | A151-F155 PolarHBondContact O-N 3.28Å; Q152-F155 WeakPolarHBondContact O-CB 3.32Å; Q152-F155 PolarHBondContact O-N 3.37Å; F155-K157 VanDerWaalsContact C-N 3.29Å; F155-K157 PolarHBondContact O-N 3.09Å; F155-M158 PolarHBondContact O-N 3.44Å; F155-M158 VanDerWaalsContact O-N 3.1Å; F155-D159 HydrophobicContact CE2-CB 4.13Å; F155-D159 HydrophobicContact CZ-CB 4.33Å; F155-D159 WeakPolarHBondContact O-CB 3.36Å; F155-D159 PolarHBondContact O-N 3.19Å; F155-V169 HydrophobicContact CD2-CG1 4.5Å; F155-V169 HydrophobicContact CE2-CG1 4.01Å; F155-A172 HydrophobicContact CB-CB 4.26Å; F155-A172 HydrophobicContact CD2-CB 4.4Å; F155-R173 HydrophobicContact CD2-CB 3.69Å; F155-R173 HydrophobicContact CD2-CG 4.26Å; F155-R173 HydrophobicContact CE2-CB 3.61Å; F155-R173 HydrophobicContact CE2-CG 3.88Å; F155-R173 HydrophobicContact CZ-CB 4.38Å; F155-R173 HydrophobicContact CZ-CG 4.16Å; F155-A176 HydrophobicContact CB-CB 4.05Å |
| 156 | E | 96.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 89 Ų | 89 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 179.1 | -72.5 | 167.2 | -173.1 | 0 | 0 | 112.5 | Q152 A160 | Q152-E156 WeakPolarHBondContact CG-OE1 3.25Å; Q152-E156 PolarHBondContact NE2-OE1 2.77Å; Q152-E156 WeakPolarHBondContact O-CG 3.4Å; Q152-E156 PolarHBondContact O-N 2.81Å; E156-A160 WeakPolarHBondContact O-CB 3.42Å; E156-A160 PolarHBondContact O-N 3.17Å; E156-A160 VanDerWaalsContact O-N 3.13Å |
| 157 | K | 96.4 | Very high | 95.6 | Very high | 141 Ų | 141 | 87.1 Ų | 87.1 | 61% | 0.613 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.5 | -42.6 | 174.1 | -75.5 | 174.3 | -175.9 | 176.9 | 0 | 112.6 | Q153 Y154 F155 D161 | Q153-K157 WeakPolarHBondContact O-CB 3.42Å; Q153-K157 VanDerWaalsContact O-CG 3.28Å; Q153-K157 WeakPolarHBondContact O-CG 3.42Å; Q153-K157 PolarHBondContact O-N 3.44Å; Q153-K157 VanDerWaalsContact O-N 3.11Å; Y154-K157 PolarHBondContact O-N 2.93Å; F155-K157 VanDerWaalsContact C-N 3.29Å; F155-K157 PolarHBondContact O-N 3.09Å; K157-D161 PolarHBondContact O-N 3.06Å |
| 158 | M | 94.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 88.8 Ų | 88.8 | 18% | 0.182 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 178.7 | -68.4 | -67.7 | 99.2 | 0 | 0 | 111.8 | Y154 F155 A160 D161 V164 V169 A172 | Y154-M158 HydrophobicContact CD1-CG 4.27Å; Y154-M158 HydrophobicContact CD2-CG 4.45Å; Y154-M158 HydrophobicContact CE1-CG 3.87Å; Y154-M158 HydrophobicContact CE2-CE 4.01Å; Y154-M158 HydrophobicContact CE2-CG 4.05Å; Y154-M158 HydrophobicContact CE2-SD 4.11Å; Y154-M158 VanDerWaalsContact O-CG 3.3Å; Y154-M158 WeakPolarHBondContact O-CG 3.39Å; Y154-M158 PolarHBondContact O-N 2.6Å; F155-M158 PolarHBondContact O-N 3.44Å; F155-M158 VanDerWaalsContact O-N 3.1Å; M158-A160 VanDerWaalsContact C-N 3.34Å; M158-D161 PolarHBondContact O-N 3.47Å; M158-V164 HydrophobicContact CE-CG2 4.44Å; M158-V164 HydrophobicContact SD-CG1 4.13Å; M158-V164 HydrophobicContact SD-CG2 4.07Å; M158-V169 HydrophobicContact CB-CG2 4.45Å; M158-V169 WeakPolarHBondContact O-CG2 3.5Å; M158-A172 HydrophobicContact CB-CB 4.33Å; M158-A172 HydrophobicContact CG-CB 4.22Å |
| 159 | D | 95.3 | Very high | 95.3 | Very high | 105 Ų | 105 | 89.7 Ų | 89.7 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.2 | -32.7 | 178.7 | -168.2 | 57.3 | 0 | 0 | 0 | 112.3 | F155 V169 | F155-D159 HydrophobicContact CE2-CB 4.13Å; F155-D159 HydrophobicContact CZ-CB 4.33Å; F155-D159 WeakPolarHBondContact O-CB 3.36Å; F155-D159 PolarHBondContact O-N 3.19Å; D159-V169 HydrophobicContact CB-CG1 4.04Å; D159-V169 WeakPolarHBondContact OD1-CG1 3.49Å |
| 160 | A | 94.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 89 Ų | 89 | 69% | 0.694 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -79.6 | -16.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E156 M158 I162 | E156-A160 WeakPolarHBondContact O-CB 3.42Å; E156-A160 PolarHBondContact O-N 3.17Å; E156-A160 VanDerWaalsContact O-N 3.13Å; M158-A160 VanDerWaalsContact C-N 3.34Å; A160-I162 PolarHBondContact O-N 2.99Å |
| 161 | D | 93.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 89.2 Ų | 89.2 | 35% | 0.348 | 46% | 0.459 | S | S | . | . | trans | -86.1 | 108.5 | -178.3 | -170.6 | -8.9 | 0 | 0 | 0 | 111.2 | K157 M158 N163 V164 | K157-D161 PolarHBondContact O-N 3.06Å; M158-D161 PolarHBondContact O-N 3.47Å; D161-N163 PolarHBondContact O-N 3.22Å; D161-N163 WeakPolarHBondContact OD1-CB 3.39Å; D161-N163 PolarHBondContact OD1-N 3.42Å; D161-N163 PolarHBondContact OD1-ND2 2.99Å; D161-V164 HydrophobicContact CB-CB 4.38Å; D161-V164 HydrophobicContact CB-CG2 3.71Å; D161-V164 PolarHBondContact O-N 3.31Å; D161-V164 VanDerWaalsContact O-N 3.12Å | ||
| 162 | I | 89.4 | Confident | 95 | Very high | 161 Ų | 161 | 88.7 Ų | 88.7 | 83% | 0.826 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.3 | 179.4 | -163.1 | 163.1 | 0 | 0 | 0 | 113.8 | A160 | A160-I162 PolarHBondContact O-N 2.99Š|
| 163 | N | 92.4 | Very high | 95 | Very high | 139 Ų | 139 | 91.8 Ų | 91.8 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.3 | -177.8 | -50.6 | -65.9 | 0 | 0 | 0 | 113.3 | D161 | D161-N163 PolarHBondContact O-N 3.22Å; D161-N163 WeakPolarHBondContact OD1-CB 3.39Å; D161-N163 PolarHBondContact OD1-N 3.42Å; D161-N163 PolarHBondContact OD1-ND2 2.99Å |
| 164 | V | 93.8 | Very high | 95 | Very high | 37 Ų | 37 | 92 Ų | 92 | 22% | 0.224 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -91 | 145 | -178 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | M158 D161 D168 V169 | M158-V164 HydrophobicContact CE-CG2 4.44Å; M158-V164 HydrophobicContact SD-CG1 4.13Å; M158-V164 HydrophobicContact SD-CG2 4.07Å; D161-V164 HydrophobicContact CB-CB 4.38Å; D161-V164 HydrophobicContact CB-CG2 3.71Å; D161-V164 PolarHBondContact O-N 3.31Å; D161-V164 VanDerWaalsContact O-N 3.12Å; V164-D168 HydrophobicContact CG1-CB 3.65Å; V164-V169 HydrophobicContact CG1-CG2 3.97Å |
| 165 | T | 94.5 | Very high | 94.9 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 45% | 0.454 | 46% | 0.459 | S | S | . | . | trans | -75.6 | 150.1 | -179.3 | 80 | 0 | 0 | 0 | 0 | 111.6 | A167 D168 V169 | T165-A167 PolarHBondContact O-N 3.43Å; T165-A167 VanDerWaalsContact O-N 3.14Å; T165-A167 PolarHBondContact OG1-N 3.43Å; T165-D168 PolarHBondContact O-N 3.06Å; T165-D168 VanDerWaalsContact OG1-CG 3.22Å; T165-D168 PolarHBondContact OG1-N 3.31Å; T165-D168 PolarHBondContact OG1-OD2 2.64Å; T165-V169 PolarHBondContact O-N 3.29Å; T165-V169 VanDerWaalsContact O-N 3.07Å | ||
| 166 | K | 93.3 | Very high | 95 | Very high | 191 Ų | 191 | 88.1 Ų | 88.1 | 83% | 0.83 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -56.4 | -30.7 | 174.2 | -68.6 | -176.8 | 177.9 | -179.4 | 0 | 113.2 | E170 | K166-E170 WeakPolarHBondContact O-CB 3.43Å; K166-E170 PolarHBondContact O-N 3.04Å |
| 167 | A | 94.5 | Very high | 95 | Very high | 73 Ų | 73 | 88.6 Ų | 88.6 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.5 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T165 E170 K171 | T165-A167 PolarHBondContact O-N 3.43Å; T165-A167 VanDerWaalsContact O-N 3.14Å; T165-A167 PolarHBondContact OG1-N 3.43Å; A167-E170 PolarHBondContact O-N 2.91Å; A167-K171 WeakPolarHBondContact O-CB 3.44Å; A167-K171 PolarHBondContact O-N 2.91Å |
| 168 | D | 93.6 | Very high | 95.1 | Very high | 81 Ų | 81 | 86.3 Ų | 86.3 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 177.6 | -63.4 | -47.3 | 0 | 0 | 0 | 111.8 | V164 T165 K171 A172 | V164-D168 HydrophobicContact CG1-CB 3.65Å; T165-D168 PolarHBondContact O-N 3.06Å; T165-D168 VanDerWaalsContact OG1-CG 3.22Å; T165-D168 PolarHBondContact OG1-N 3.31Å; T165-D168 PolarHBondContact OG1-OD2 2.64Å; D168-K171 PolarHBondContact O-N 3.41Å; D168-A172 PolarHBondContact O-N 3.47Å |
| 169 | V | 95.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 87.8 Ų | 87.8 | 13% | 0.127 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 111 | F155 M158 D159 V164 T165 K171 A172 R173 | F155-V169 HydrophobicContact CD2-CG1 4.5Å; F155-V169 HydrophobicContact CE2-CG1 4.01Å; M158-V169 HydrophobicContact CB-CG2 4.45Å; M158-V169 WeakPolarHBondContact O-CG2 3.5Å; D159-V169 HydrophobicContact CB-CG1 4.04Å; D159-V169 WeakPolarHBondContact OD1-CG1 3.49Å; V164-V169 HydrophobicContact CG1-CG2 3.97Å; T165-V169 PolarHBondContact O-N 3.29Å; T165-V169 VanDerWaalsContact O-N 3.07Å; V169-K171 VanDerWaalsContact C-N 3.32Å; V169-K171 PolarHBondContact O-N 2.99Å; V169-A172 PolarHBondContact O-N 3.48Å; V169-R173 WeakPolarHBondContact O-CB 3.42Å; V169-R173 PolarHBondContact O-N 3.02Å |
| 170 | E | 95.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 86.7 Ų | 86.7 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 179.4 | -175.2 | 56.2 | -148.6 | 0 | 0 | 111.8 | K166 A167 R173 Q174 | K166-E170 WeakPolarHBondContact O-CB 3.43Å; K166-E170 PolarHBondContact O-N 3.04Å; A167-E170 PolarHBondContact O-N 2.91Å; E170-R173 WeakPolarHBondContact O-CB 3.21Å; E170-R173 PolarHBondContact O-N 2.99Å; E170-R173 IonicContact OE2-NH1 3.67Å; E170-Q174 WeakPolarHBondContact O-CG 3.49Å; E170-Q174 PolarHBondContact O-N 2.76Å; E170-Q174 PolarHBondContact OE1-NE2 3.22Å |
| 171 | K | 96.4 | Very high | 95.5 | Very high | 153 Ų | 153 | 87.8 Ų | 87.8 | 67% | 0.665 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 172.5 | -175.1 | -178.9 | 179 | -177.1 | 0 | 112 | A167 D168 V169 R173 Q174 Q175 | A167-K171 WeakPolarHBondContact O-CB 3.44Å; A167-K171 PolarHBondContact O-N 2.91Å; D168-K171 PolarHBondContact O-N 3.41Å; V169-K171 VanDerWaalsContact C-N 3.32Å; V169-K171 PolarHBondContact O-N 2.99Å; K171-R173 VanDerWaalsContact C-N 3.31Å; K171-R173 PolarHBondContact O-N 3.07Å; K171-Q174 PolarHBondContact O-N 3.32Å; K171-Q175 WeakPolarHBondContact O-CB 3.35Å; K171-Q175 PolarHBondContact O-N 3.36Å; K171-Q175 VanDerWaalsContact O-N 3.07Å |
| 172 | A | 95.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 88 Ų | 88 | 4% | 0.041 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y154 F155 M158 D168 V169 Q175 A176 | Y154-A172 HydrophobicContact CD1-CB 4Å; Y154-A172 HydrophobicContact CE1-CB 3.93Å; F155-A172 HydrophobicContact CB-CB 4.26Å; F155-A172 HydrophobicContact CD2-CB 4.4Å; M158-A172 HydrophobicContact CB-CB 4.33Å; M158-A172 HydrophobicContact CG-CB 4.22Å; D168-A172 PolarHBondContact O-N 3.47Å; V169-A172 PolarHBondContact O-N 3.48Å; A172-Q175 PolarHBondContact O-N 3.24Å; A172-A176 WeakPolarHBondContact O-CB 3.41Å; A172-A176 PolarHBondContact O-N 2.98Å |
| 173 | R | 96.8 | Very high | 96.1 | Very high | 116 Ų | 116 | 80.8 Ų | 80.8 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 175.3 | -170 | -175.6 | -175.3 | 179.6 | 4.5 | 112.5 | F155 V169 E170 K171 Q175 A176 Q177 | F155-R173 HydrophobicContact CD2-CB 3.69Å; F155-R173 HydrophobicContact CD2-CG 4.26Å; F155-R173 HydrophobicContact CE2-CB 3.61Å; F155-R173 HydrophobicContact CE2-CG 3.88Å; F155-R173 HydrophobicContact CZ-CB 4.38Å; F155-R173 HydrophobicContact CZ-CG 4.16Å; V169-R173 WeakPolarHBondContact O-CB 3.42Å; V169-R173 PolarHBondContact O-N 3.02Å; E170-R173 WeakPolarHBondContact O-CB 3.21Å; E170-R173 PolarHBondContact O-N 2.99Å; E170-R173 IonicContact OE2-NH1 3.67Å; K171-R173 VanDerWaalsContact C-N 3.31Å; K171-R173 PolarHBondContact O-N 3.07Å; R173-Q175 VanDerWaalsContact C-N 3.3Å; R173-Q175 PolarHBondContact O-N 3.34Å; R173-A176 PolarHBondContact O-N 3.39Å; R173-Q177 WeakPolarHBondContact O-CG 3.37Å; R173-Q177 PolarHBondContact O-N 3.39Å |
| 174 | Q | 97.1 | Very high | 96.4 | Very high | 111 Ų | 111 | 77.4 Ų | 77.4 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 177.7 | -72.8 | 174.2 | 13.3 | 0 | 0 | 111.4 | E170 K171 Q177 M178 | E170-Q174 WeakPolarHBondContact O-CG 3.49Å; E170-Q174 PolarHBondContact O-N 2.76Å; E170-Q174 PolarHBondContact OE1-NE2 3.22Å; K171-Q174 PolarHBondContact O-N 3.32Å; Q174-Q177 PolarHBondContact O-N 3.2Å; Q174-M178 WeakPolarHBondContact O-CB 3.46Å; Q174-M178 PolarHBondContact O-N 2.98Å |
| 175 | Q | 96.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 79.5 Ų | 79.5 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.1 | -176.8 | 65 | 26.3 | 0 | 0 | 112 | K171 A172 R173 M178 R179 | K171-Q175 WeakPolarHBondContact O-CB 3.35Å; K171-Q175 PolarHBondContact O-N 3.36Å; K171-Q175 VanDerWaalsContact O-N 3.07Å; A172-Q175 PolarHBondContact O-N 3.24Å; R173-Q175 VanDerWaalsContact C-N 3.3Å; R173-Q175 PolarHBondContact O-N 3.34Å; Q175-M178 PolarHBondContact O-N 3.32Å; Q175-R179 VanDerWaalsContact NE2-NE 3.16Å; Q175-R179 WeakPolarHBondContact O-CG 3.44Å; Q175-R179 PolarHBondContact O-N 3.4Å |
| 176 | A | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.017 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A151 F155 A172 R173 M178 R179 H180 | A151-A176 HydrophobicContact CB-CB 4.32Å; F155-A176 HydrophobicContact CB-CB 4.05Å; A172-A176 WeakPolarHBondContact O-CB 3.41Å; A172-A176 PolarHBondContact O-N 2.98Å; R173-A176 PolarHBondContact O-N 3.39Å; A176-M178 PolarHBondContact O-N 3.24Å; A176-R179 PolarHBondContact O-N 2.85Å; A176-H180 PolarHBondContact O-CD2 2.85Å; A176-H180 PolarHBondContact O-N 3Å |
| 177 | Q | 97.6 | Very high | 97 | Very high | 110 Ų | 110 | 72.9 Ų | 72.9 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.8 | -74.6 | 178.2 | -16.6 | 0 | 0 | 112.3 | R173 Q174 R179 H180 Q181 | R173-Q177 WeakPolarHBondContact O-CG 3.37Å; R173-Q177 PolarHBondContact O-N 3.39Å; Q174-Q177 PolarHBondContact O-N 3.2Å; Q177-R179 PolarHBondContact O-N 2.95Å; Q177-H180 PolarHBondContact O-N 3.46Å; Q177-Q181 PolarHBondContact O-N 3.47Å |
| 178 | M | 97.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 71.1 Ų | 71.1 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.2 | -176.6 | -179.5 | 69 | 0 | 0 | 111.5 | Q174 Q175 A176 Q181 M182 | Q174-M178 WeakPolarHBondContact O-CB 3.46Å; Q174-M178 PolarHBondContact O-N 2.98Å; Q175-M178 PolarHBondContact O-N 3.32Å; A176-M178 PolarHBondContact O-N 3.24Å; M178-Q181 PolarHBondContact O-N 3.02Å; M178-M182 WeakPolarHBondContact O-CG 3.37Å; M178-M182 PolarHBondContact O-N 3.48Å |
| 179 | R | 97.7 | Very high | 97.3 | Very high | 68 Ų | 68 | 70.3 Ų | 70.3 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 177.4 | -65.8 | -56.6 | -170.3 | 147.1 | 13.1 | 112.6 | E147 A148 A151 Q175 A176 Q177 M182 A183 | E147-R179 IonicContact OE2-CZ 3.33Å; E147-R179 IonicContact OE2-NH1 3.93Å; E147-R179 PolarHBondContact OE2-NH1 3Å; E147-R179 IonicContact OE2-NH2 3.82Å; A148-R179 HydrophobicContact CB-CB 4.22Å; A151-R179 HydrophobicContact CB-CB 4.1Å; A151-R179 HydrophobicContact CB-CG 3.89Å; Q175-R179 VanDerWaalsContact NE2-NE 3.16Å; Q175-R179 WeakPolarHBondContact O-CG 3.44Å; Q175-R179 PolarHBondContact O-N 3.4Å; A176-R179 PolarHBondContact O-N 2.85Å; Q177-R179 PolarHBondContact O-N 2.95Å; R179-M182 PolarHBondContact O-N 3.06Å; R179-A183 PolarHBondContact O-N 2.95Å |
| 180 | H | 98.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 171.5 | -89.9 | -62.1 | 0 | 0 | 0 | 112.6 | A176 Q177 A183 S184 | A176-H180 PolarHBondContact O-CD2 2.85Å; A176-H180 PolarHBondContact O-N 3Å; Q177-H180 PolarHBondContact O-N 3.46Å; H180-A183 PolarHBondContact O-N 2.74Å; H180-S184 PolarHBondContact O-N 2.95Å |
| 181 | Q | 98 | Very high | 97.6 | Very high | 107 Ų | 107 | 71.7 Ų | 71.7 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175 | -173.2 | 61 | 50.4 | 0 | 0 | 111.1 | Q177 M178 A183 S184 D185 | Q177-Q181 PolarHBondContact O-N 3.47Å; M178-Q181 PolarHBondContact O-N 3.02Å; Q181-A183 VanDerWaalsContact C-N 3.31Å; Q181-A183 PolarHBondContact O-N 3.47Å; Q181-S184 WeakPolarHBondContact O-CA 3.4Å; Q181-S184 WeakPolarHBondContact O-CB 3.43Å; Q181-S184 PolarHBondContact O-N 3.48Å; Q181-D185 PolarHBondContact NE2-OD1 2.98Å; Q181-D185 VanDerWaalsContact O-CG 3.26Å; Q181-D185 PolarHBondContact O-N 3.37Å |
| 182 | M | 97.6 | Very high | 97.7 | Very high | 68 Ų | 68 | 68 Ų | 68 | 34% | 0.335 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58 | -41.9 | 176.3 | -68.2 | 179.6 | 71.8 | 0 | 0 | 112.6 | M178 R179 S184 D185 S186 | M178-M182 WeakPolarHBondContact O-CG 3.37Å; M178-M182 PolarHBondContact O-N 3.48Å; R179-M182 PolarHBondContact O-N 3.06Å; M182-S184 VanDerWaalsContact C-N 3.34Å; M182-D185 PolarHBondContact O-N 3.35Å; M182-S186 PolarHBondContact O-N 3.46Å; M182-S186 PolarHBondContact O-OG 3.43Å; M182-S186 VanDerWaalsContact O-OG 3.08Å |
| 183 | A | 97.9 | Very high | 97.8 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D144 A148 R179 H180 Q181 S186 K187 | D144-A183 HydrophobicContact CB-CB 4.13Å; A148-A183 HydrophobicContact CB-CB 4.12Å; R179-A183 PolarHBondContact O-N 2.95Å; H180-A183 PolarHBondContact O-N 2.74Å; Q181-A183 VanDerWaalsContact C-N 3.31Å; Q181-A183 PolarHBondContact O-N 3.47Å; A183-S186 PolarHBondContact O-OG 3.06Å; A183-K187 WeakPolarHBondContact O-CB 3.27Å; A183-K187 PolarHBondContact O-N 3.27Å |
| 184 | S | 98 | Very high | 97.8 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | H180 Q181 M182 K187 G188 | H180-S184 PolarHBondContact O-N 2.95Å; Q181-S184 WeakPolarHBondContact O-CA 3.4Å; Q181-S184 WeakPolarHBondContact O-CB 3.43Å; Q181-S184 PolarHBondContact O-N 3.48Å; M182-S184 VanDerWaalsContact C-N 3.34Å; S184-K187 WeakPolarHBondContact O-CB 3.38Å; S184-K187 PolarHBondContact O-N 3.42Å; S184-G188 PolarHBondContact O-N 2.9Å; S184-G188 VanDerWaalsContact O-N 3.1Å |
| 185 | D | 97.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 178.2 | -62.3 | -18.1 | 0 | 0 | 0 | 110.6 | Q181 M182 K187 G188 D189 | Q181-D185 PolarHBondContact NE2-OD1 2.98Å; Q181-D185 VanDerWaalsContact O-CG 3.26Å; Q181-D185 PolarHBondContact O-N 3.37Å; M182-D185 PolarHBondContact O-N 3.35Å; D185-K187 VanDerWaalsContact C-N 3.28Å; D185-K187 PolarHBondContact O-N 3.45Å; D185-G188 WeakPolarHBondContact O-CA 3.27Å; D185-G188 PolarHBondContact O-N 3.17Å; D185-D189 PolarHBondContact O-N 3.47Å |
| 186 | S | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.4 | -25.1 | 177.3 | 59 | 0 | 0 | 0 | 0 | 113.7 | D144 M182 A183 Y190 | D144-S186 WeakPolarHBondContact CB-OG 3.5Å; D144-S186 WeakPolarHBondContact OD2-CB 3.49Å; D144-S186 PolarHBondContact OD2-OG 3.35Å; M182-S186 PolarHBondContact O-N 3.46Å; M182-S186 PolarHBondContact O-OG 3.43Å; M182-S186 VanDerWaalsContact O-OG 3.08Å; A183-S186 PolarHBondContact O-OG 3.06Å; S186-Y190 WeakPolarHBondContact O-CB 3.33Å; S186-Y190 PolarHBondContact O-N 2.9Å |
| 187 | K | 98.2 | Very high | 98 | Very high | 126 Ų | 126 | 71.2 Ų | 71.2 | 55% | 0.548 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 167.2 | -171.2 | -179.7 | 175.5 | -178.9 | 0 | 111.7 | F141 A183 S184 D185 Y190 S191 | F141-K187 HydrophobicContact CD2-CB 3.8Å; F141-K187 HydrophobicContact CD2-CG 4.49Å; F141-K187 HydrophobicContact CE2-CB 3.43Å; F141-K187 VanDerWaalsContact CE2-CB 3.43Å; F141-K187 HydrophobicContact CE2-CD 4.3Å; F141-K187 HydrophobicContact CE2-CG 3.83Å; F141-K187 HydrophobicContact CZ-CB 4.04Å; F141-K187 HydrophobicContact CZ-CD 4.25Å; F141-K187 HydrophobicContact CZ-CG 3.89Å; A183-K187 WeakPolarHBondContact O-CB 3.27Å; A183-K187 PolarHBondContact O-N 3.27Å; S184-K187 WeakPolarHBondContact O-CB 3.38Å; S184-K187 PolarHBondContact O-N 3.42Å; D185-K187 VanDerWaalsContact C-N 3.28Å; D185-K187 PolarHBondContact O-N 3.45Å; K187-Y190 PolarHBondContact O-N 3.05Å; K187-S191 WeakPolarHBondContact O-CB 3.47Å; K187-S191 PolarHBondContact O-N 3.1Å |
| 188 | G | 98 | Very high | 98 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S184 D185 S191 S192 | S184-G188 PolarHBondContact O-N 2.9Å; S184-G188 VanDerWaalsContact O-N 3.1Å; D185-G188 WeakPolarHBondContact O-CA 3.27Å; D185-G188 PolarHBondContact O-N 3.17Å; G188-S191 PolarHBondContact O-N 3.24Å; G188-S192 WeakPolarHBondContact O-CB 3.48Å; G188-S192 PolarHBondContact O-N 3.26Å; G188-S192 PolarHBondContact O-OG 3.01Å |
| 189 | D | 97.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 35% | 0.348 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.2 | -54 | 174.3 | -70.9 | -21.3 | 0 | 0 | 0 | 110.9 | R140 D185 S191 S192 Y193 | R140-D189 IonicContact CZ-OD2 3.49Å; R140-D189 IonicContact NH1-OD2 2.6Å; R140-D189 PolarHBondContact NH1-OD2 3.5Å; D185-D189 PolarHBondContact O-N 3.47Å; D189-S191 PolarHBondContact O-N 3.08Å; D189-S192 PolarHBondContact O-N 2.81Å; D189-Y193 VanDerWaalsContact O-CD2 3.26Å; D189-Y193 WeakPolarHBondContact O-CD2 3.35Å; D189-Y193 PolarHBondContact O-N 2.98Å |
| 190 | Y | 98.5 | Very high | 98.1 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | -179.8 | 170.4 | -124.1 | 0 | 0 | 0 | 112.2 | L134 K138 F141 S186 K187 S192 Y193 L194 | L134-Y190 HydrophobicContact CD1-CD2 3.84Å; L134-Y190 HydrophobicContact CD1-CE2 3.61Å; L134-Y190 HydrophobicContact CG-CE2 4.47Å; K138-Y190 HydrophobicContact CB-CD2 3.81Å; K138-Y190 HydrophobicContact CB-CE2 3.66Å; K138-Y190 HydrophobicContact CD-CE2 4.33Å; K138-Y190 HydrophobicContact CG-CD2 4.41Å; K138-Y190 HydrophobicContact CG-CE2 3.92Å; F141-Y190 AromaticContact CD1-CD1 3.9Å; F141-Y190 HydrophobicContact CD1-CD1 3.9Å; F141-Y190 HydrophobicContact CE1-CD1 4.4Å; S186-Y190 WeakPolarHBondContact O-CB 3.33Å; S186-Y190 PolarHBondContact O-N 2.9Å; K187-Y190 PolarHBondContact O-N 3.05Å; Y190-S192 VanDerWaalsContact C-N 3.3Å; Y190-S192 PolarHBondContact O-N 2.9Å; Y190-Y193 PolarHBondContact O-N 3.47Å; Y190-L194 HydrophobicContact CE2-CB 4.38Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.47Å; Y190-L194 PolarHBondContact O-N 3.22Å |
| 191 | S | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 68 Ų | 68 | 49% | 0.49 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 112 | K187 G188 D189 L194 Q195 | K187-S191 WeakPolarHBondContact O-CB 3.47Å; K187-S191 PolarHBondContact O-N 3.1Å; G188-S191 PolarHBondContact O-N 3.24Å; D189-S191 PolarHBondContact O-N 3.08Å; S191-L194 PolarHBondContact O-N 3.31Å; S191-Q195 PolarHBondContact O-N 3.31Å; S191-Q195 VanDerWaalsContact O-N 3.11Å |
| 192 | S | 98 | Very high | 98.1 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 53% | 0.531 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | -179.6 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | G188 D189 Y190 L194 Q195 K196 | G188-S192 WeakPolarHBondContact O-CB 3.48Å; G188-S192 PolarHBondContact O-N 3.26Å; G188-S192 PolarHBondContact O-OG 3.01Å; D189-S192 PolarHBondContact O-N 2.81Å; Y190-S192 VanDerWaalsContact C-N 3.3Å; Y190-S192 PolarHBondContact O-N 2.9Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.26Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-K196 PolarHBondContact O-N 2.97Å; S192-K196 VanDerWaalsContact O-N 3.08Å |
| 193 | Y | 97.8 | Very high | 98.1 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.6 | -34.3 | 176 | -81.7 | -71.7 | 0 | 0 | 0 | 112.9 | Q133 C137 D189 Y190 K196 F197 | Q133-Y193 HydrophobicContact CG-CD1 3.9Å; Q133-Y193 HydrophobicContact CG-CE1 3.67Å; Q133-Y193 PolarHBondContact NE2-OH 2.92Å; Q133-Y193 VanDerWaalsContact NE2-OH 3.11Å; C137-Y193 HydrophobicContact CB-CD2 4.27Å; C137-Y193 WeakPolarHBondContact SG-CD2 3.49Å; D189-Y193 VanDerWaalsContact O-CD2 3.26Å; D189-Y193 WeakPolarHBondContact O-CD2 3.35Å; D189-Y193 PolarHBondContact O-N 2.98Å; Y190-Y193 PolarHBondContact O-N 3.47Å; Y193-K196 PolarHBondContact O-N 3.27Å; Y193-F197 WeakPolarHBondContact O-CB 3.25Å; Y193-F197 PolarHBondContact O-N 3.32Å |
| 194 | L | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 66 Ų | 66 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176 | 179.5 | 62.4 | 0 | 0 | 0 | 111.3 | L134 Y190 S191 S192 K196 F197 N198 | L134-L194 HydrophobicContact CD1-CB 3.9Å; L134-L194 HydrophobicContact CD1-CD1 4.22Å; L134-L194 HydrophobicContact CD2-CD1 3.96Å; Y190-L194 HydrophobicContact CE2-CB 4.38Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.47Å; Y190-L194 PolarHBondContact O-N 3.22Å; S191-L194 PolarHBondContact O-N 3.31Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.26Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 3.07Å; L194-F197 PolarHBondContact O-N 3.39Å; L194-N198 WeakPolarHBondContact O-CB 3.25Å; L194-N198 VanDerWaalsContact O-CG 3.28Å; L194-N198 PolarHBondContact O-N 3.21Å; L194-N198 PolarHBondContact O-ND2 2.95Å |
| 195 | Q | 98.3 | Very high | 98.2 | Very high | 148 Ų | 148 | 66.5 Ų | 66.5 | 69% | 0.692 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 176.7 | -174.6 | 178.6 | 5 | 0 | 0 | 111.2 | S191 S192 N198 Q199 | S191-Q195 PolarHBondContact O-N 3.31Å; S191-Q195 VanDerWaalsContact O-N 3.11Å; S192-Q195 PolarHBondContact O-N 3.45Å; Q195-N198 PolarHBondContact O-N 3.17Å; Q195-Q199 PolarHBondContact O-N 3.27Å |
| 196 | K | 97.9 | Very high | 98.1 | Very high | 97 Ų | 97 | 69.2 Ų | 69.2 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 176.4 | -179.2 | -178.8 | 170.9 | -173.3 | 0 | 111.7 | S192 Y193 L194 N198 Q199 E200 | S192-K196 PolarHBondContact O-N 2.97Å; S192-K196 VanDerWaalsContact O-N 3.08Å; Y193-K196 PolarHBondContact O-N 3.27Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 3.07Å; K196-N198 PolarHBondContact O-N 3.36Å; K196-Q199 PolarHBondContact O-N 2.76Å; K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 IonicContact NZ-OE1 2.62Å; K196-E200 WeakPolarHBondContact O-CG 3.46Å; K196-E200 PolarHBondContact O-N 3.03Å |
| 197 | F | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | -179.8 | 176.2 | -97.9 | 0 | 0 | 0 | 112.1 | I127 W131 L134 Y193 L194 Q199 E200 Q201 | I127-F197 HydrophobicContact CD1-CD2 4.23Å; I127-F197 HydrophobicContact CD1-CE2 3.68Å; I127-F197 HydrophobicContact CD1-CZ 4.31Å; I127-F197 HydrophobicContact CG1-CE2 4.16Å; W131-F197 HydrophobicContact CB-CD2 4.44Å; W131-F197 HydrophobicContact CB-CE2 3.68Å; W131-F197 HydrophobicContact CB-CZ 4.15Å; W131-F197 HydrophobicContact CD2-CZ 4.29Å; W131-F197 HydrophobicContact CE3-CD1 4.28Å; W131-F197 AromaticContact CE3-CE1 3.61Å; W131-F197 HydrophobicContact CE3-CE1 3.61Å; W131-F197 AromaticContact CE3-CE2 3.99Å; W131-F197 HydrophobicContact CE3-CE2 3.99Å; W131-F197 AromaticContact CE3-CZ 3.45Å; W131-F197 HydrophobicContact CE3-CZ 3.45Å; W131-F197 VanDerWaalsContact CE3-CZ 3.45Å; W131-F197 AromaticContact CZ3-CE1 3.95Å; W131-F197 HydrophobicContact CZ3-CE1 3.95Å; W131-F197 HydrophobicContact CZ3-CZ 4.21Å; L134-F197 HydrophobicContact CB-CB 4.46Å; L134-F197 HydrophobicContact CD2-CB 3.87Å; L134-F197 HydrophobicContact CD2-CD1 3.57Å; L134-F197 HydrophobicContact CD2-CE1 4.3Å; L134-F197 HydrophobicContact CD2-CG 3.71Å; Y193-F197 WeakPolarHBondContact O-CB 3.25Å; Y193-F197 PolarHBondContact O-N 3.32Å; L194-F197 PolarHBondContact O-N 3.39Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-Q199 PolarHBondContact O-N 2.78Å; F197-E200 PolarHBondContact O-N 3.27Å; F197-Q201 HydrophobicContact CE1-CB 4.24Å; F197-Q201 HydrophobicContact CZ-CB 4.34Å; F197-Q201 VanDerWaalsContact O-CB 3.24Å; F197-Q201 WeakPolarHBondContact O-CB 3.49Å; F197-Q201 PolarHBondContact O-N 3.48Å |
| 198 | N | 98.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 69.6 Ų | 69.6 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 178.3 | -73.8 | -16.7 | 0 | 0 | 0 | 112.2 | L194 Q195 K196 N202 | L194-N198 WeakPolarHBondContact O-CB 3.25Å; L194-N198 VanDerWaalsContact O-CG 3.28Å; L194-N198 PolarHBondContact O-N 3.21Å; L194-N198 PolarHBondContact O-ND2 2.95Å; Q195-N198 PolarHBondContact O-N 3.17Å; K196-N198 PolarHBondContact O-N 3.36Å; N198-N202 WeakPolarHBondContact O-CB 3.37Å; N198-N202 PolarHBondContact O-N 2.83Å |
| 199 | Q | 98.4 | Very high | 98.1 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 174 | -177.8 | 59.8 | 49.5 | 0 | 0 | 111.1 | Q195 K196 F197 Q201 N202 D203 | Q195-Q199 PolarHBondContact O-N 3.27Å; K196-Q199 PolarHBondContact O-N 2.76Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-Q199 PolarHBondContact O-N 2.78Å; Q199-Q201 VanDerWaalsContact C-N 3.31Å; Q199-Q201 PolarHBondContact O-N 3.33Å; Q199-N202 WeakPolarHBondContact O-CB 3.34Å; Q199-N202 PolarHBondContact O-N 2.84Å; Q199-D203 VanDerWaalsContact NE2-CG 3.31Å; Q199-D203 PolarHBondContact NE2-OD1 3.03Å; Q199-D203 PolarHBondContact NE2-OD2 3.44Å; Q199-D203 VanDerWaalsContact O-CG 3.27Å; Q199-D203 PolarHBondContact O-N 3.41Å |
| 200 | E | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 179.6 | -70.4 | 175.3 | 158.8 | 0 | 0 | 112.3 | Y126 I127 S130 K196 F197 D203 H204 | Y126-E200 HydrophobicContact CE1-CB 4.48Å; Y126-E200 HydrophobicContact CE1-CG 4.25Å; Y126-E200 PolarHBondContact OH-OE1 2.8Å; I127-E200 HydrophobicContact CD1-CB 4.24Å; S130-E200 VanDerWaalsContact CB-OE2 3.25Å; S130-E200 WeakPolarHBondContact CB-OE2 3.46Å; S130-E200 PolarHBondContact OG-OE2 3.17Å; K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 IonicContact NZ-OE1 2.62Å; K196-E200 WeakPolarHBondContact O-CG 3.46Å; K196-E200 PolarHBondContact O-N 3.03Å; F197-E200 PolarHBondContact O-N 3.27Å; E200-D203 PolarHBondContact O-N 3.16Å; E200-H204 VanDerWaalsContact O-CB 3.22Å; E200-H204 WeakPolarHBondContact O-CB 3.41Å; E200-H204 PolarHBondContact O-N 2.97Å |
| 201 | Q | 98.2 | Very high | 98.2 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 174.4 | -176.2 | 179.2 | 69.2 | 0 | 0 | 111.1 | I127 F197 Q199 H204 Y205 | I127-Q201 HydrophobicContact CD1-CB 4.19Å; F197-Q201 HydrophobicContact CE1-CB 4.24Å; F197-Q201 HydrophobicContact CZ-CB 4.34Å; F197-Q201 VanDerWaalsContact O-CB 3.24Å; F197-Q201 WeakPolarHBondContact O-CB 3.49Å; F197-Q201 PolarHBondContact O-N 3.48Å; Q199-Q201 VanDerWaalsContact C-N 3.31Å; Q199-Q201 PolarHBondContact O-N 3.33Å; Q201-H204 WeakPolarHBondContact O-CB 3.49Å; Q201-H204 PolarHBondContact O-N 3.26Å; Q201-Y205 HydrophobicContact CG-CD2 3.72Å; Q201-Y205 HydrophobicContact CG-CE2 3.7Å; Q201-Y205 VanDerWaalsContact O-CD2 3.25Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.4Å; Q201-Y205 PolarHBondContact O-N 3.47Å; Q201-Y205 VanDerWaalsContact O-N 3.08Å |
| 202 | N | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 65.4 Ų | 65.4 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.9 | 178.4 | 80.3 | 0 | 0 | 0 | 111 | N198 Q199 H204 Y205 H206 | N198-N202 WeakPolarHBondContact O-CB 3.37Å; N198-N202 PolarHBondContact O-N 2.83Å; Q199-N202 WeakPolarHBondContact O-CB 3.34Å; Q199-N202 PolarHBondContact O-N 2.84Å; N202-H204 VanDerWaalsContact C-N 3.3Å; N202-H204 PolarHBondContact O-N 3.07Å; N202-Y205 PolarHBondContact O-N 3.07Å; N202-H206 VanDerWaalsContact O-CB 3.29Å; N202-H206 WeakPolarHBondContact O-CB 3.35Å; N202-H206 PolarHBondContact O-CD2 3.38Å; N202-H206 PolarHBondContact O-N 2.98Å; N202-H206 PolarHBondContact OD1-CD2 2.97Å; N202-H206 VanDerWaalsContact OD1-CD2 3.25Å |
| 203 | D | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.9 | -64.3 | -19.3 | 0 | 0 | 0 | 111.5 | Q199 E200 T207 I208 | Q199-D203 VanDerWaalsContact NE2-CG 3.31Å; Q199-D203 PolarHBondContact NE2-OD1 3.03Å; Q199-D203 PolarHBondContact NE2-OD2 3.44Å; Q199-D203 VanDerWaalsContact O-CG 3.27Å; Q199-D203 PolarHBondContact O-N 3.41Å; E200-D203 PolarHBondContact O-N 3.16Å; D203-T207 CarbonylContact O-C 3.59Å; D203-T207 WeakPolarHBondContact O-CA 3.34Å; D203-T207 VanDerWaalsContact O-CB 3.27Å; D203-T207 WeakPolarHBondContact O-CB 3.39Å; D203-T207 PolarHBondContact O-N 2.87Å; D203-I208 PolarHBondContact O-N 2.86Å |
| 204 | H | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -58.5 | -54.5 | 176.2 | -175.8 | 89.3 | 0 | 0 | 0 | 111.9 | A123 I127 E200 Q201 N202 I208 I209 | A123-H204 PolarHBondContact O-CE1 3.19Å; A123-H204 PolarHBondContact O-ND1 3.39Å; I127-H204 HydrophobicContact CD1-CB 4.48Å; E200-H204 VanDerWaalsContact O-CB 3.22Å; E200-H204 WeakPolarHBondContact O-CB 3.41Å; E200-H204 PolarHBondContact O-N 2.97Å; Q201-H204 WeakPolarHBondContact O-CB 3.49Å; Q201-H204 PolarHBondContact O-N 3.26Å; N202-H204 VanDerWaalsContact C-N 3.3Å; N202-H204 PolarHBondContact O-N 3.07Å; H204-I208 PolarHBondContact O-N 2.68Å; H204-I209 VanDerWaalsContact NE2-CG1 3.34Å; H204-I209 WeakPolarHBondContact NE2-CG1 3.29Å; H204-I209 WeakPolarHBondContact O-CB 3.43Å; H204-I209 WeakPolarHBondContact O-CG1 3.37Å; H204-I209 PolarHBondContact O-N 3.11Å |
| 205 | Y | 97.9 | Very high | 98.3 | Very high | 79 Ų | 79 | 63.4 Ų | 63.4 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -84.4 | -25.1 | -173.1 | -68.2 | -65.5 | 0 | 0 | 0 | 114.3 | W8 Q201 N202 P210 | W8-Y205 AromaticContact CE3-CD1 3.58Å; W8-Y205 HydrophobicContact CE3-CD1 3.58Å; W8-Y205 AromaticContact CE3-CE1 3.49Å; W8-Y205 HydrophobicContact CE3-CE1 3.49Å; W8-Y205 VanDerWaalsContact CE3-CE1 3.49Å; W8-Y205 AromaticContact CZ3-CD1 3.91Å; W8-Y205 HydrophobicContact CZ3-CD1 3.91Å; W8-Y205 AromaticContact CZ3-CE1 3.45Å; W8-Y205 HydrophobicContact CZ3-CE1 3.45Å; W8-Y205 VanDerWaalsContact CZ3-CE1 3.45Å; Q201-Y205 HydrophobicContact CG-CD2 3.72Å; Q201-Y205 HydrophobicContact CG-CE2 3.7Å; Q201-Y205 VanDerWaalsContact O-CD2 3.25Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.4Å; Q201-Y205 PolarHBondContact O-N 3.47Å; Q201-Y205 VanDerWaalsContact O-N 3.08Å; N202-Y205 PolarHBondContact O-N 3.07Å; Y205-P210 WeakPolarHBondContact O-CD 3.38Å; Y205-P210 VanDerWaalsContact O-CG 3.26Å; Y205-P210 WeakPolarHBondContact O-CG 3.15Å |
| 206 | H | 97.6 | Very high | 98.3 | Very high | 138 Ų | 138 | 56.3 Ų | 56.3 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | I | π-helix | trans | -105.8 | -6.1 | -177.1 | -62.4 | -65.7 | 0 | 0 | 0 | 114.3 | N202 | N202-H206 VanDerWaalsContact O-CB 3.29Å; N202-H206 WeakPolarHBondContact O-CB 3.35Å; N202-H206 PolarHBondContact O-CD2 3.38Å; N202-H206 PolarHBondContact O-N 2.98Å; N202-H206 PolarHBondContact OD1-CD2 2.97Å; N202-H206 VanDerWaalsContact OD1-CD2 3.25Å |
| 207 | T | 97.9 | Very high | 98.3 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -134 | -58 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | D203 N211 | D203-T207 CarbonylContact O-C 3.59Å; D203-T207 WeakPolarHBondContact O-CA 3.34Å; D203-T207 VanDerWaalsContact O-CB 3.27Å; D203-T207 WeakPolarHBondContact O-CB 3.39Å; D203-T207 PolarHBondContact O-N 2.87Å; T207-N211 WeakPolarHBondContact O-CB 3.42Å; T207-N211 PolarHBondContact O-N 2.91Å; T207-N211 VanDerWaalsContact O-N 3.17Å; T207-N211 PolarHBondContact O-ND2 2.85Å |
| 208 | I | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 56 Ų | 56 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -70.1 | -56.8 | -168.1 | -59.7 | 171.6 | 0 | 0 | 0 | 111.4 | A123 D203 H204 N211 I212 | A123-I208 HydrophobicContact CB-CG2 3.75Å; D203-I208 PolarHBondContact O-N 2.86Å; H204-I208 PolarHBondContact O-N 2.68Å; I208-N211 PolarHBondContact O-N 3.02Å; I208-I212 HydrophobicContact CG2-CD1 3.83Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.21Å; I208-I212 VanDerWaalsContact O-N 3.09Å |
| 209 | I | 98 | Very high | 98.4 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 179.5 | -67.6 | -62.8 | 0 | 0 | 0 | 111.7 | W8 H204 N211 I212 F213 | W8-I209 HydrophobicContact CB-CG2 4.4Å; H204-I209 VanDerWaalsContact NE2-CG1 3.34Å; H204-I209 WeakPolarHBondContact NE2-CG1 3.29Å; H204-I209 WeakPolarHBondContact O-CB 3.43Å; H204-I209 WeakPolarHBondContact O-CG1 3.37Å; H204-I209 PolarHBondContact O-N 3.11Å; I209-N211 VanDerWaalsContact C-N 3.3Å; I209-N211 PolarHBondContact O-N 3.18Å; I209-I212 PolarHBondContact O-N 3.02Å; I209-F213 HydrophobicContact CG2-CD1 4.47Å; I209-F213 HydrophobicContact CG2-CD2 4.04Å; I209-F213 HydrophobicContact CG2-CE1 4.45Å; I209-F213 HydrophobicContact CG2-CE2 3.97Å; I209-F213 HydrophobicContact CG2-CG 4.3Å; I209-F213 HydrophobicContact CG2-CZ 4.2Å; I209-F213 WeakPolarHBondContact O-CB 3.2Å; I209-F213 PolarHBondContact O-N 3.3Å |
| 210 | P | 98.4 | Very high | 98.4 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.6 | -43.2 | 175.8 | -28.3 | 34.2 | 0 | 0 | 0 | 113.9 | G4 Y205 F213 Q214 | G4-P210 WeakPolarHBondContact O-CG 3.34Å; Y205-P210 WeakPolarHBondContact O-CD 3.38Å; Y205-P210 VanDerWaalsContact O-CG 3.26Å; Y205-P210 WeakPolarHBondContact O-CG 3.15Å; P210-F213 PolarHBondContact O-N 3.16Å; P210-Q214 VanDerWaalsContact O-CB 3.32Å; P210-Q214 WeakPolarHBondContact O-CB 3.28Å; P210-Q214 PolarHBondContact O-N 3.06Å |
| 211 | N | 98.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.1 | -39.3 | 179.3 | -73.9 | -27.8 | 0 | 0 | 0 | 112.7 | T207 I208 I209 K215 | T207-N211 WeakPolarHBondContact O-CB 3.42Å; T207-N211 PolarHBondContact O-N 2.91Å; T207-N211 VanDerWaalsContact O-N 3.17Å; T207-N211 PolarHBondContact O-ND2 2.85Å; I208-N211 PolarHBondContact O-N 3.02Å; I209-N211 VanDerWaalsContact C-N 3.3Å; I209-N211 PolarHBondContact O-N 3.18Å; N211-K215 WeakPolarHBondContact O-CG 3.3Å; N211-K215 PolarHBondContact O-N 3.2Å |
| 212 | I | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 177.4 | -65.5 | 168.3 | 0 | 0 | 0 | 110.1 | D119 A123 I208 I209 Q214 K215 L216 | D119-I212 HydrophobicContact CB-CD1 4.24Å; D119-I212 HydrophobicContact CB-CG1 4.46Å; A123-I212 HydrophobicContact CB-CD1 4.13Å; I208-I212 HydrophobicContact CG2-CD1 3.83Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.21Å; I208-I212 VanDerWaalsContact O-N 3.09Å; I209-I212 PolarHBondContact O-N 3.02Å; I212-Q214 VanDerWaalsContact C-N 3.34Å; I212-K215 WeakPolarHBondContact O-CB 3.4Å; I212-K215 PolarHBondContact O-N 3.49Å; I212-L216 PolarHBondContact O-N 3.42Å |
| 213 | F | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72 | -29.9 | -179.6 | -78.5 | 13.4 | 0 | 0 | 0 | 112.5 | W3 L7 F11 L14 I209 P210 L216 Q217 | W3-F213 HydrophobicContact CB-CB 4.3Å; L7-F213 WeakPolarHBondContact O-CE2 3.28Å; F11-F213 HydrophobicContact CB-CZ 4.22Å; F11-F213 AromaticContact CD2-CE1 3.63Å; F11-F213 HydrophobicContact CD2-CE1 3.63Å; F11-F213 AromaticContact CD2-CZ 3.79Å; F11-F213 HydrophobicContact CD2-CZ 3.79Å; F11-F213 HydrophobicContact CE2-CE1 4.14Å; F11-F213 HydrophobicContact CG-CZ 4.48Å; L14-F213 HydrophobicContact CD1-CD1 4.16Å; L14-F213 HydrophobicContact CD1-CD2 3.69Å; L14-F213 HydrophobicContact CD1-CE1 4.12Å; L14-F213 HydrophobicContact CD1-CE2 3.68Å; L14-F213 HydrophobicContact CD1-CG 3.94Å; L14-F213 HydrophobicContact CD1-CZ 3.89Å; I209-F213 HydrophobicContact CG2-CD1 4.47Å; I209-F213 HydrophobicContact CG2-CD2 4.04Å; I209-F213 HydrophobicContact CG2-CE1 4.45Å; I209-F213 HydrophobicContact CG2-CE2 3.97Å; I209-F213 HydrophobicContact CG2-CG 4.3Å; I209-F213 HydrophobicContact CG2-CZ 4.2Å; I209-F213 WeakPolarHBondContact O-CB 3.2Å; I209-F213 PolarHBondContact O-N 3.3Å; P210-F213 PolarHBondContact O-N 3.16Å; F213-L216 HydrophobicContact CD1-CD1 3.88Å; F213-L216 HydrophobicContact CE1-CD1 4.24Å; F213-L216 PolarHBondContact O-N 3.02Å; F213-Q217 WeakPolarHBondContact O-CB 3.48Å; F213-Q217 PolarHBondContact O-N 2.84Å |
| 214 | Q | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 170.2 | -169.2 | 60.3 | 54.6 | 0 | 0 | 111 | S2 P210 I212 L216 Q217 D218 | S2-Q214 PolarHBondContact OG-OE1 2.95Å; P210-Q214 VanDerWaalsContact O-CB 3.32Å; P210-Q214 WeakPolarHBondContact O-CB 3.28Å; P210-Q214 PolarHBondContact O-N 3.06Å; I212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-L216 VanDerWaalsContact C-N 3.32Å; Q214-L216 PolarHBondContact O-N 3.41Å; Q214-Q217 PolarHBondContact O-N 3.31Å; Q214-Q217 VanDerWaalsContact O-N 3.16Å; Q214-D218 PolarHBondContact NE2-OD1 3.27Å; Q214-D218 WeakPolarHBondContact O-CB 3.41Å; Q214-D218 PolarHBondContact O-N 3.27Å |
| 215 | K | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 56.4 Ų | 56.4 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 173.9 | -68.7 | 171.9 | 178.4 | -178 | 0 | 112.5 | N211 I212 M219 | N211-K215 WeakPolarHBondContact O-CG 3.3Å; N211-K215 PolarHBondContact O-N 3.2Å; I212-K215 WeakPolarHBondContact O-CB 3.4Å; I212-K215 PolarHBondContact O-N 3.49Å; K215-M219 VanDerWaalsContact O-CB 3.25Å; K215-M219 WeakPolarHBondContact O-CB 3.46Å; K215-M219 PolarHBondContact O-N 2.91Å |
| 216 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 174.8 | -73.8 | 171.8 | 0 | 0 | 0 | 112 | W3 H116 F117 I212 F213 Q214 M219 E220 | W3-L216 HydrophobicContact CE3-CB 4.27Å; W3-L216 HydrophobicContact CZ3-CB 4.22Å; H116-L216 HydrophobicContact CB-CD2 3.61Å; H116-L216 HydrophobicContact CB-CG 4.02Å; F117-L216 HydrophobicContact CD2-CD2 3.9Å; F117-L216 HydrophobicContact CE1-CD1 4.02Å; F117-L216 HydrophobicContact CE2-CD1 4.24Å; F117-L216 HydrophobicContact CE2-CD2 3.45Å; F117-L216 VanDerWaalsContact CE2-CD2 3.45Å; F117-L216 HydrophobicContact CZ-CD1 3.78Å; F117-L216 HydrophobicContact CZ-CD2 3.85Å; F117-L216 HydrophobicContact CZ-CG 4.5Å; I212-L216 PolarHBondContact O-N 3.42Å; F213-L216 HydrophobicContact CD1-CD1 3.88Å; F213-L216 HydrophobicContact CE1-CD1 4.24Å; F213-L216 PolarHBondContact O-N 3.02Å; Q214-L216 VanDerWaalsContact C-N 3.32Å; Q214-L216 PolarHBondContact O-N 3.41Å; L216-M219 HydrophobicContact CD2-CE 3.95Å; L216-E220 WeakPolarHBondContact O-CB 3.29Å; L216-E220 PolarHBondContact O-N 3.27Å |
| 217 | Q | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 176.8 | -173.9 | 177.1 | -18.1 | 0 | 0 | 111.1 | W3 F213 Q214 M219 E220 E221 | W3-Q217 HydrophobicContact CB-CB 4.27Å; W3-Q217 HydrophobicContact CD2-CB 3.66Å; W3-Q217 HydrophobicContact CD2-CG 3.84Å; W3-Q217 HydrophobicContact CE3-CB 3.64Å; W3-Q217 HydrophobicContact CE3-CG 4.27Å; W3-Q217 HydrophobicContact CG-CB 3.93Å; W3-Q217 HydrophobicContact CG-CG 4Å; W3-Q217 HydrophobicContact CZ3-CB 4.29Å; F213-Q217 WeakPolarHBondContact O-CB 3.48Å; F213-Q217 PolarHBondContact O-N 2.84Å; Q214-Q217 PolarHBondContact O-N 3.31Å; Q214-Q217 VanDerWaalsContact O-N 3.16Å; Q217-M219 VanDerWaalsContact C-N 3.32Å; Q217-M219 PolarHBondContact O-N 3.33Å; Q217-E220 PolarHBondContact O-N 2.93Å; Q217-E221 HydrophobicContact CG-CG 4.39Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.34Å; Q217-E221 PolarHBondContact NE2-OE1 3.43Å; Q217-E221 WeakPolarHBondContact O-CG 3.28Å; Q217-E221 PolarHBondContact O-N 3.45Å |
| 218 | D | 98.8 | Very high | 98.6 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 43% | 0.428 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 178.7 | -63.2 | -14.7 | 0 | 0 | 0 | 111.1 | Q214 E220 K222 | Q214-D218 PolarHBondContact NE2-OD1 3.27Å; Q214-D218 WeakPolarHBondContact O-CB 3.41Å; Q214-D218 PolarHBondContact O-N 3.27Å; D218-E220 VanDerWaalsContact C-N 3.31Å; D218-E220 PolarHBondContact O-N 3.32Å; D218-K222 VanDerWaalsContact O-CB 3.25Å; D218-K222 WeakPolarHBondContact O-CB 3.28Å; D218-K222 PolarHBondContact O-N 3.19Å |
| 219 | M | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 173.6 | 179.1 | -164.2 | 72 | 0 | 0 | 111.2 | T18 L109 E112 R113 K215 L216 Q217 R223 | T18-M219 HydrophobicContact CG2-CE 3.94Å; L109-M219 HydrophobicContact CD1-CG 3.57Å; L109-M219 HydrophobicContact CD1-SD 3.96Å; E112-M219 HydrophobicContact CB-SD 4.36Å; E112-M219 HydrophobicContact CG-CG 4.16Å; E112-M219 HydrophobicContact CG-SD 4.02Å; R113-M219 VanDerWaalsContact CA-SD 3.54Å; R113-M219 HydrophobicContact CB-CE 4.01Å; R113-M219 HydrophobicContact CB-SD 3.74Å; R113-M219 HydrophobicContact CG-CE 4.16Å; K215-M219 VanDerWaalsContact O-CB 3.25Å; K215-M219 WeakPolarHBondContact O-CB 3.46Å; K215-M219 PolarHBondContact O-N 2.91Å; L216-M219 HydrophobicContact CD2-CE 3.95Å; Q217-M219 VanDerWaalsContact C-N 3.32Å; Q217-M219 PolarHBondContact O-N 3.33Å; M219-R223 WeakPolarHBondContact O-CB 3.47Å; M219-R223 PolarHBondContact O-N 3.34Å; M219-R223 VanDerWaalsContact O-N 3.07Å |
| 220 | E | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.9 | -43.2 | -178.9 | -174.1 | 74.1 | 154 | 0 | 0 | 112.7 | W3 H17 L216 Q217 D218 R223 I224 | W3-E220 HydrophobicContact CH2-CB 3.59Å; W3-E220 HydrophobicContact CH2-CG 3.62Å; W3-E220 HydrophobicContact CZ2-CB 4.38Å; W3-E220 HydrophobicContact CZ2-CG 4.2Å; W3-E220 HydrophobicContact CZ3-CB 4.1Å; H17-E220 IonicContact CD2-OE1 2.68Å; H17-E220 PolarHBondContact CD2-OE1 3.31Å; H17-E220 VanDerWaalsContact CD2-OE1 3.3Å; H17-E220 IonicContact NE2-OE1 3.85Å; H17-E220 PolarHBondContact NE2-OE1 2.95Å; L216-E220 WeakPolarHBondContact O-CB 3.29Å; L216-E220 PolarHBondContact O-N 3.27Å; Q217-E220 PolarHBondContact O-N 2.93Å; D218-E220 VanDerWaalsContact C-N 3.31Å; D218-E220 PolarHBondContact O-N 3.32Å; E220-R223 VanDerWaalsContact CD-CZ 3.4Å; E220-R223 VanDerWaalsContact CG-NH2 3.31Å; E220-R223 WeakPolarHBondContact O-CB 3Å; E220-R223 PolarHBondContact O-N 2.95Å; E220-R223 IonicContact OE1-CZ 3.39Å; E220-R223 VanDerWaalsContact OE1-CZ 3.3Å; E220-R223 IonicContact OE1-NE 2.72Å; E220-R223 IonicContact OE1-NH2 2.67Å; E220-R223 PolarHBondContact OE1-NH2 3.03Å; E220-R223 IonicContact OE2-CZ 3.88Å; E220-R223 VanDerWaalsContact OE2-CZ 3.23Å; E220-R223 IonicContact OE2-NE 2.7Å; E220-R223 PolarHBondContact OE2-NE 2.89Å; E220-R223 IonicContact OE2-NH2 3.07Å; E220-R223 PolarHBondContact OE2-NH2 3.37Å; E220-R223 VanDerWaalsContact OE2-NH2 3.09Å; E220-I224 HydrophobicContact CG-CD1 4.34Å; E220-I224 WeakPolarHBondContact O-CG1 3.39Å; E220-I224 PolarHBondContact O-N 3.04Å |
| 221 | E | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.5 | -72.1 | 178.4 | -171.6 | 0 | 0 | 110.5 | Q217 R223 I224 E225 | Q217-E221 HydrophobicContact CG-CG 4.39Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.34Å; Q217-E221 PolarHBondContact NE2-OE1 3.43Å; Q217-E221 WeakPolarHBondContact O-CG 3.28Å; Q217-E221 PolarHBondContact O-N 3.45Å; E221-R223 VanDerWaalsContact C-N 3.26Å; E221-R223 PolarHBondContact O-N 2.62Å; E221-I224 WeakPolarHBondContact O-CB 3.5Å; E221-I224 PolarHBondContact O-N 3.46Å; E221-I224 VanDerWaalsContact O-N 3.11Å; E221-E225 WeakPolarHBondContact O-CG 3.41Å; E221-E225 PolarHBondContact O-N 3.16Å |
| 222 | K | 98.8 | Very high | 98.6 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.4 | -39.2 | 173.3 | 178.4 | -176.3 | 167 | -163.6 | 0 | 112.2 | E112 D218 R226 | E112-K222 IonicContact OE2-NZ 3.68Å; D218-K222 VanDerWaalsContact O-CB 3.25Å; D218-K222 WeakPolarHBondContact O-CB 3.28Å; D218-K222 PolarHBondContact O-N 3.19Å; K222-R226 VanDerWaalsContact O-CB 3.32Å; K222-R226 WeakPolarHBondContact O-CB 3.45Å; K222-R226 PolarHBondContact O-N 2.89Å |
| 223 | R | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.7 | 178.5 | -80.6 | -48.4 | 179 | 14.7 | 112 | V25 Y105 L109 M219 E220 E221 I227 | V25-R223 HydrophobicContact CG2-CG 4.03Å; Y105-R223 HydrophobicContact CE1-CG 4.46Å; Y105-R223 WeakPolarHBondContact OH-CA 3.44Å; Y105-R223 WeakPolarHBondContact OH-CB 3.49Å; Y105-R223 PolarHBondContact OH-N 3.36Å; L109-R223 HydrophobicContact CD1-CB 4.33Å; L109-R223 HydrophobicContact CD1-CG 4.5Å; L109-R223 HydrophobicContact CD2-CB 4.23Å; L109-R223 HydrophobicContact CD2-CG 3.56Å; M219-R223 WeakPolarHBondContact O-CB 3.47Å; M219-R223 PolarHBondContact O-N 3.34Å; M219-R223 VanDerWaalsContact O-N 3.07Å; E220-R223 VanDerWaalsContact CD-CZ 3.4Å; E220-R223 VanDerWaalsContact CG-NH2 3.31Å; E220-R223 WeakPolarHBondContact O-CB 3Å; E220-R223 PolarHBondContact O-N 2.95Å; E220-R223 IonicContact OE1-CZ 3.39Å; E220-R223 VanDerWaalsContact OE1-CZ 3.3Å; E220-R223 IonicContact OE1-NE 2.72Å; E220-R223 IonicContact OE1-NH2 2.67Å; E220-R223 PolarHBondContact OE1-NH2 3.03Å; E220-R223 IonicContact OE2-CZ 3.88Å; E220-R223 VanDerWaalsContact OE2-CZ 3.23Å; E220-R223 IonicContact OE2-NE 2.7Å; E220-R223 PolarHBondContact OE2-NE 2.89Å; E220-R223 IonicContact OE2-NH2 3.07Å; E220-R223 PolarHBondContact OE2-NH2 3.37Å; E220-R223 VanDerWaalsContact OE2-NH2 3.09Å; E221-R223 VanDerWaalsContact C-N 3.26Å; E221-R223 PolarHBondContact O-N 2.62Å; R223-I227 PolarHBondContact O-N 3.08Å; R223-I227 VanDerWaalsContact O-N 3.14Å |
| 224 | I | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 175.6 | -64.5 | 166.4 | 0 | 0 | 0 | 110.4 | E220 E221 R226 I227 G228 | E220-I224 HydrophobicContact CG-CD1 4.34Å; E220-I224 WeakPolarHBondContact O-CG1 3.39Å; E220-I224 PolarHBondContact O-N 3.04Å; E221-I224 WeakPolarHBondContact O-CB 3.5Å; E221-I224 PolarHBondContact O-N 3.46Å; E221-I224 VanDerWaalsContact O-N 3.11Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.44Å; I224-I227 PolarHBondContact O-N 3.33Å; I224-G228 PolarHBondContact O-N 2.81Å |
| 225 | E | 98.7 | Very high | 98.6 | Very high | 142 Ų | 142 | 54.8 Ų | 54.8 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 178.8 | -72.5 | -177.8 | 168.5 | 0 | 0 | 111.8 | E221 I227 G228 A229 | E221-E225 WeakPolarHBondContact O-CG 3.41Å; E221-E225 PolarHBondContact O-N 3.16Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 3.26Å; E225-G228 PolarHBondContact O-N 3.07Å; E225-A229 PolarHBondContact O-N 3.4Å |
| 226 | R | 98.5 | Very high | 98.6 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.2 | -176.8 | 58.4 | 171.5 | -164.5 | -2.6 | 111.7 | E101 L102 Y105 K222 I224 A229 C230 | E101-R226 IonicContact OE2-NH2 2.68Å; E101-R226 PolarHBondContact OE2-NH2 3.43Å; L102-R226 HydrophobicContact CD2-CG 4.25Å; Y105-R226 HydrophobicContact CD1-CG 3.87Å; Y105-R226 HydrophobicContact CE1-CB 4.09Å; Y105-R226 HydrophobicContact CE1-CG 3.89Å; Y105-R226 HydrophobicContact CG-CG 4.28Å; K222-R226 VanDerWaalsContact O-CB 3.32Å; K222-R226 WeakPolarHBondContact O-CB 3.45Å; K222-R226 PolarHBondContact O-N 2.89Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.44Å; R226-A229 PolarHBondContact O-N 3Å; R226-C230 PolarHBondContact O-N 3.44Å; R226-C230 PolarHBondContact O-SG 2.95Å; R226-C230 VanDerWaalsContact O-SG 3.37Å |
| 227 | I | 98.4 | Very high | 98.6 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.8 | -81.6 | -53.3 | 0 | 0 | 0 | 111.9 | F24 V25 Y28 L102 R223 I224 E225 A229 C230 M231 | F24-I227 HydrophobicContact CE1-CG2 4.07Å; V25-I227 HydrophobicContact CB-CD1 4.31Å; V25-I227 HydrophobicContact CG1-CD1 4.07Å; V25-I227 HydrophobicContact CG2-CD1 3.9Å; V25-I227 HydrophobicContact CG2-CG1 3.7Å; Y28-I227 HydrophobicContact CD1-CD1 3.87Å; Y28-I227 HydrophobicContact CG-CD1 4.47Å; L102-I227 HydrophobicContact CD1-CD1 4.34Å; L102-I227 HydrophobicContact CD2-CD1 4.21Å; R223-I227 PolarHBondContact O-N 3.08Å; R223-I227 VanDerWaalsContact O-N 3.14Å; I224-I227 PolarHBondContact O-N 3.33Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 3.26Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 3.15Å; I227-C230 PolarHBondContact O-N 3.15Å; I227-M231 HydrophobicContact CG2-CE 3.86Å; I227-M231 HydrophobicContact CG2-CG 4.49Å; I227-M231 HydrophobicContact CG2-SD 4.12Å; I227-M231 WeakPolarHBondContact O-CG 3.32Å; I227-M231 PolarHBondContact O-N 3.33Å |
| 228 | G | 98.3 | Very high | 98.5 | Very high | 41 Ų | 41 | 55.1 Ų | 55.1 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I224 E225 M231 K232 | I224-G228 PolarHBondContact O-N 2.81Å; E225-G228 PolarHBondContact O-N 3.07Å; G228-M231 PolarHBondContact O-N 3.34Å; G228-K232 PolarHBondContact O-N 3.04Å; G228-K232 VanDerWaalsContact O-N 3.07Å |
| 229 | A | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E225 R226 I227 M231 K232 T233 | E225-A229 PolarHBondContact O-N 3.4Å; R226-A229 PolarHBondContact O-N 3Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 3.15Å; A229-M231 PolarHBondContact O-N 2.58Å; A229-K232 WeakPolarHBondContact O-CB 3.37Å; A229-K232 PolarHBondContact O-N 2.89Å; A229-K232 VanDerWaalsContact O-N 3.17Å; A229-T233 PolarHBondContact O-N 3Å; A229-T233 PolarHBondContact O-OG1 3.32Å; A229-T233 VanDerWaalsContact O-OG1 3.11Å |
| 230 | C | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 178 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | Y28 I98 L102 R226 I227 K232 T233 F234 | Y28-C230 HydrophobicContact CE1-CB 4.05Å; I98-C230 HydrophobicContact CG2-CB 4.04Å; L102-C230 HydrophobicContact CD1-CB 4.18Å; L102-C230 VanDerWaalsContact CD2-SG 3.59Å; R226-C230 PolarHBondContact O-N 3.44Å; R226-C230 PolarHBondContact O-SG 2.95Å; R226-C230 VanDerWaalsContact O-SG 3.37Å; I227-C230 PolarHBondContact O-N 3.15Å; C230-K232 VanDerWaalsContact C-N 3.29Å; C230-K232 PolarHBondContact O-N 3.48Å; C230-T233 PolarHBondContact O-N 3.25Å; C230-F234 WeakPolarHBondContact O-CB 3.46Å; C230-F234 PolarHBondContact O-N 3.09Å |
| 231 | M | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 63.9 Ų | 63.9 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 175.4 | -72.4 | -177.8 | 174 | 0 | 0 | 112.5 | F24 Y28 I227 G228 A229 F234 | F24-M231 HydrophobicContact CE1-CE 4.15Å; F24-M231 HydrophobicContact CZ-CE 4.06Å; Y28-M231 HydrophobicContact CD2-CE 3.8Å; Y28-M231 HydrophobicContact CE1-CG 4.33Å; Y28-M231 HydrophobicContact CE2-CE 3.84Å; Y28-M231 HydrophobicContact CE2-CG 3.81Å; Y28-M231 HydrophobicContact CG-CE 4.4Å; Y28-M231 WeakPolarHBondContact OH-CA 3.33Å; I227-M231 HydrophobicContact CG2-CE 3.86Å; I227-M231 HydrophobicContact CG2-CG 4.49Å; I227-M231 HydrophobicContact CG2-SD 4.12Å; I227-M231 WeakPolarHBondContact O-CG 3.32Å; I227-M231 PolarHBondContact O-N 3.33Å; G228-M231 PolarHBondContact O-N 3.34Å; A229-M231 PolarHBondContact O-N 2.58Å; M231-F234 WeakPolarHBondContact O-CB 3.32Å |
| 232 | K | 98.6 | Very high | 98.3 | Very high | 134 Ų | 134 | 64.8 Ų | 64.8 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.1 | -49 | 172.4 | -179.6 | 178.7 | 169.1 | -177.5 | 0 | 111.1 | G228 A229 C230 F234 A235 E236 | G228-K232 PolarHBondContact O-N 3.04Å; G228-K232 VanDerWaalsContact O-N 3.07Å; A229-K232 WeakPolarHBondContact O-CB 3.37Å; A229-K232 PolarHBondContact O-N 2.89Å; A229-K232 VanDerWaalsContact O-N 3.17Å; C230-K232 VanDerWaalsContact C-N 3.29Å; C230-K232 PolarHBondContact O-N 3.48Å; K232-F234 PolarHBondContact O-N 3.07Å; K232-A235 PolarHBondContact O-N 3.2Å; K232-A235 VanDerWaalsContact O-N 3.15Å; K232-E236 WeakPolarHBondContact CE-OE1 3.37Å; K232-E236 IonicContact NZ-OE1 3.78Å; K232-E236 WeakPolarHBondContact O-CG 3.38Å; K232-E236 PolarHBondContact O-N 2.89Å; K232-E236 VanDerWaalsContact O-N 3.07Å |
| 233 | T | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.6 | -40.5 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | Q97 I98 A229 C230 A235 E236 V237 | Q97-T233 HydrophobicContact CB-CG2 4.27Å; I98-T233 HydrophobicContact CD1-CG2 4.09Å; I98-T233 HydrophobicContact CG1-CG2 3.98Å; A229-T233 PolarHBondContact O-N 3Å; A229-T233 PolarHBondContact O-OG1 3.32Å; A229-T233 VanDerWaalsContact O-OG1 3.11Å; C230-T233 PolarHBondContact O-N 3.25Å; T233-A235 VanDerWaalsContact C-N 3.32Å; T233-A235 PolarHBondContact O-N 3.35Å; T233-E236 PolarHBondContact O-N 3.34Å; T233-V237 HydrophobicContact CG2-CG2 4.27Å; T233-V237 WeakPolarHBondContact O-CG2 3.34Å; T233-V237 PolarHBondContact O-N 3.37Å |
| 234 | F | 98.7 | Very high | 98.2 | Very high | 34 Ų | 34 | 67.4 Ų | 67.4 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -52.9 | -48.1 | 177.5 | -175.4 | -84 | 0 | 0 | 0 | 112.1 | F31 V32 R35 L94 I98 C230 M231 K232 | F31-F234 AromaticContact CE1-CE2 3.86Å; F31-F234 HydrophobicContact CE1-CE2 3.86Å; F31-F234 AromaticContact CE1-CZ 3.86Å; F31-F234 HydrophobicContact CE1-CZ 3.86Å; F31-F234 HydrophobicContact CZ-CZ 4.12Å; V32-F234 HydrophobicContact CG1-CD2 4.47Å; V32-F234 HydrophobicContact CG2-CD2 3.96Å; V32-F234 HydrophobicContact CG2-CE2 4.13Å; R35-F234 HydrophobicContact CB-CE2 4.36Å; R35-F234 HydrophobicContact CG-CE2 3.84Å; R35-F234 HydrophobicContact CG-CZ 3.72Å; L94-F234 HydrophobicContact CD1-CE2 4.44Å; L94-F234 HydrophobicContact CD2-CD2 3.59Å; L94-F234 HydrophobicContact CD2-CE2 3.96Å; L94-F234 HydrophobicContact CD2-CG 4.17Å; I98-F234 HydrophobicContact CD1-CB 3.82Å; I98-F234 HydrophobicContact CD1-CD2 4.27Å; C230-F234 WeakPolarHBondContact O-CB 3.46Å; C230-F234 PolarHBondContact O-N 3.09Å; M231-F234 WeakPolarHBondContact O-CB 3.32Å; K232-F234 PolarHBondContact O-N 3.07Å |
| 235 | A | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74 | -26.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K232 T233 R239 | K232-A235 PolarHBondContact O-N 3.2Å; K232-A235 VanDerWaalsContact O-N 3.15Å; T233-A235 VanDerWaalsContact C-N 3.32Å; T233-A235 PolarHBondContact O-N 3.35Å; A235-R239 PolarHBondContact O-N 3.45Å; A235-R239 PolarHBondContact O-NH1 2.92Å |
| 236 | E | 98.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73 | -37 | 177.5 | -72.5 | 174.9 | 169.9 | 0 | 0 | 112.3 | K232 T233 D238 R239 Q240 | K232-E236 WeakPolarHBondContact CE-OE1 3.37Å; K232-E236 IonicContact NZ-OE1 3.78Å; K232-E236 WeakPolarHBondContact O-CG 3.38Å; K232-E236 PolarHBondContact O-N 2.89Å; K232-E236 VanDerWaalsContact O-N 3.07Å; T233-E236 PolarHBondContact O-N 3.34Å; E236-D238 PolarHBondContact O-N 3.15Å; E236-R239 WeakPolarHBondContact O-CB 3.37Å; E236-R239 PolarHBondContact O-N 3.31Å; E236-R239 VanDerWaalsContact O-N 3.1Å; E236-Q240 VanDerWaalsContact O-CG 3.3Å; E236-Q240 WeakPolarHBondContact O-CG 3.32Å; E236-Q240 PolarHBondContact O-N 3.28Å |
| 237 | V | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | I90 N93 L94 T233 R239 Q240 | I90-V237 HydrophobicContact CB-CG1 4.33Å; I90-V237 HydrophobicContact CG2-CG1 4.04Å; N93-V237 HydrophobicContact CB-CB 4.44Å; N93-V237 HydrophobicContact CB-CG1 3.63Å; N93-V237 HydrophobicContact CB-CG2 3.88Å; L94-V237 HydrophobicContact CD2-CB 4.25Å; L94-V237 HydrophobicContact CD2-CG1 4.28Å; L94-V237 HydrophobicContact CD2-CG2 4.48Å; L94-V237 HydrophobicContact CG-CG1 4.17Å; T233-V237 HydrophobicContact CG2-CG2 4.27Å; T233-V237 WeakPolarHBondContact O-CG2 3.34Å; T233-V237 PolarHBondContact O-N 3.37Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 2.86Å; V237-Q240 PolarHBondContact O-N 3.28Å |
| 238 | D | 95.9 | Very high | 98.2 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 175.9 | -79.5 | -38.9 | 0 | 0 | 0 | 111.8 | R35 E236 Q240 V241 | R35-D238 IonicContact NH2-OD1 3.21Å; R35-D238 IonicContact NH2-OD2 3.3Å; E236-D238 PolarHBondContact O-N 3.15Å; D238-Q240 VanDerWaalsContact C-N 3.35Å; D238-Q240 PolarHBondContact O-N 3.18Å; D238-V241 VanDerWaalsContact O-CG2 3.23Å; D238-V241 WeakPolarHBondContact O-CG2 3.4Å |
| 239 | R | 98.4 | Very high | 98.2 | Very high | 149 Ų | 149 | 63 Ų | 63 | 56% | 0.562 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.7 | -32.9 | -179.8 | -171.6 | 177.2 | -68.7 | 95.1 | 3.5 | 112.6 | A235 E236 V237 V241 L242 | A235-R239 PolarHBondContact O-N 3.45Å; A235-R239 PolarHBondContact O-NH1 2.92Å; E236-R239 WeakPolarHBondContact O-CB 3.37Å; E236-R239 PolarHBondContact O-N 3.31Å; E236-R239 VanDerWaalsContact O-N 3.1Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 2.86Å; R239-V241 VanDerWaalsContact C-N 3.28Å; R239-V241 PolarHBondContact O-N 3.31Å; R239-L242 HydrophobicContact CG-CD1 4.24Å; R239-L242 PolarHBondContact O-N 3.06Å |
| 240 | Q | 97.8 | Very high | 98.2 | Very high | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.2 | -28.5 | -176.9 | -77 | 172 | 16.7 | 0 | 0 | 113.2 | E236 V237 D238 P243 | E236-Q240 VanDerWaalsContact O-CG 3.3Å; E236-Q240 WeakPolarHBondContact O-CG 3.32Å; E236-Q240 PolarHBondContact O-N 3.28Å; V237-Q240 PolarHBondContact O-N 3.28Å; D238-Q240 VanDerWaalsContact C-N 3.35Å; D238-Q240 PolarHBondContact O-N 3.18Å; Q240-P243 WeakPolarHBondContact O-CD 3.36Å |
| 241 | V | 97.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -83.9 | -17.3 | 179.8 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | Q86 V89 I90 D238 R239 P243 I244 V245 | Q86-V241 HydrophobicContact CB-CB 4.23Å; Q86-V241 HydrophobicContact CB-CG1 4.37Å; V89-V241 HydrophobicContact CG1-CG1 4.4Å; I90-V241 HydrophobicContact CD1-CG1 4.35Å; I90-V241 HydrophobicContact CD1-CG2 3.53Å; I90-V241 HydrophobicContact CG1-CB 4.41Å; I90-V241 HydrophobicContact CG1-CG1 3.76Å; I90-V241 HydrophobicContact CG1-CG2 3.8Å; D238-V241 VanDerWaalsContact O-CG2 3.23Å; D238-V241 WeakPolarHBondContact O-CG2 3.4Å; R239-V241 VanDerWaalsContact C-N 3.28Å; R239-V241 PolarHBondContact O-N 3.31Å; V241-P243 VanDerWaalsContact C-CD 3.44Å; V241-I244 PolarHBondContact O-N 3.49Å; V241-V245 HydrophobicContact CB-CG2 4.48Å; V241-V245 HydrophobicContact CG2-CG2 4.36Å; V241-V245 PolarHBondContact O-N 3.45Å |
| 242 | L | 97.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 56% | 0.56 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.9 | -41.8 | -175.6 | -65.3 | 177.6 | 0 | 0 | 0 | 114.2 | R239 I244 V245 G246 | R239-L242 HydrophobicContact CG-CD1 4.24Å; R239-L242 PolarHBondContact O-N 3.06Å; L242-I244 VanDerWaalsContact C-N 3.34Å; L242-I244 PolarHBondContact O-N 3.25Å; L242-V245 PolarHBondContact O-N 3.44Å; L242-G246 PolarHBondContact O-N 3Å |
| 243 | P | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 61.5 Ų | 61.5 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 177.8 | -23.9 | 35.9 | 0 | 0 | 0 | 113.3 | Q240 V241 G246 K247 | Q240-P243 WeakPolarHBondContact O-CD 3.36Å; V241-P243 VanDerWaalsContact C-CD 3.44Å; P243-G246 PolarHBondContact O-N 3.47Å; P243-K247 PolarHBondContact O-N 3.31Å |
| 244 | I | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 64 Ų | 64 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.7 | -38.2 | -179.7 | -53.5 | -60.3 | 0 | 0 | 0 | 110.8 | Q86 V241 L242 G246 K247 C248 | Q86-I244 VanDerWaalsContact CD-CG2 3.45Å; Q86-I244 HydrophobicContact CG-CB 4.09Å; Q86-I244 HydrophobicContact CG-CG2 3.75Å; V241-I244 PolarHBondContact O-N 3.49Å; L242-I244 VanDerWaalsContact C-N 3.34Å; L242-I244 PolarHBondContact O-N 3.25Å; I244-G246 VanDerWaalsContact C-N 3.3Å; I244-G246 PolarHBondContact O-N 2.9Å; I244-K247 WeakPolarHBondContact O-CB 3.45Å; I244-K247 PolarHBondContact O-N 3.4Å; I244-C248 PolarHBondContact O-N 3.48Å; I244-C248 PolarHBondContact O-SG 2.81Å |
| 245 | V | 98.2 | Very high | 98.2 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 170.4 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | Y83 Q86 V241 L242 K247 C248 L249 | Y83-V245 HydrophobicContact CD2-CG1 4.01Å; Y83-V245 HydrophobicContact CD2-CG2 4.2Å; Y83-V245 HydrophobicContact CE2-CB 4.45Å; Y83-V245 HydrophobicContact CE2-CG1 3.63Å; Y83-V245 HydrophobicContact CE2-CG2 4.13Å; Q86-V245 HydrophobicContact CB-CG2 4.2Å; Q86-V245 HydrophobicContact CG-CG2 4.43Å; V241-V245 HydrophobicContact CB-CG2 4.48Å; V241-V245 HydrophobicContact CG2-CG2 4.36Å; V241-V245 PolarHBondContact O-N 3.45Å; L242-V245 PolarHBondContact O-N 3.44Å; V245-K247 VanDerWaalsContact C-N 3.33Å; V245-K247 PolarHBondContact O-N 3.5Å; V245-C248 WeakPolarHBondContact O-CB 3.49Å; V245-C248 PolarHBondContact O-N 2.92Å; V245-C248 VanDerWaalsContact O-N 3.13Å; V245-L249 HydrophobicContact CG1-CD1 4.25Å; V245-L249 WeakPolarHBondContact O-CG 3.32Å; V245-L249 PolarHBondContact O-N 3.36Å; V245-L249 VanDerWaalsContact O-N 3.09Å |
| 246 | G | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L242 P243 I244 C248 L249 D250 | L242-G246 PolarHBondContact O-N 3Å; P243-G246 PolarHBondContact O-N 3.47Å; I244-G246 VanDerWaalsContact C-N 3.3Å; I244-G246 PolarHBondContact O-N 2.9Å; G246-C248 VanDerWaalsContact C-N 3.31Å; G246-C248 PolarHBondContact O-N 2.91Å; G246-L249 PolarHBondContact O-N 2.86Å; G246-L249 VanDerWaalsContact O-N 3.15Å; G246-D250 VanDerWaalsContact O-CG 3.3Å; G246-D250 PolarHBondContact O-N 2.97Å |
| 247 | K | 98.6 | Very high | 98.1 | Very high | 144 Ų | 144 | 67.2 Ų | 67.2 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.5 | -40.7 | 175.6 | -173.9 | -175.5 | 175.1 | -171.5 | 0 | 113 | P243 I244 V245 D250 G251 | P243-K247 PolarHBondContact O-N 3.31Å; I244-K247 WeakPolarHBondContact O-CB 3.45Å; I244-K247 PolarHBondContact O-N 3.4Å; V245-K247 VanDerWaalsContact C-N 3.33Å; V245-K247 PolarHBondContact O-N 3.5Å; K247-D250 PolarHBondContact O-N 3.44Å; K247-G251 PolarHBondContact O-N 3.11Å |
| 248 | C | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | E79 I244 V245 G246 G251 M252 | E79-C248 HydrophobicContact CB-CB 4.48Å; E79-C248 WeakPolarHBondContact OE2-CA 3.3Å; I244-C248 PolarHBondContact O-N 3.48Å; I244-C248 PolarHBondContact O-SG 2.81Å; V245-C248 WeakPolarHBondContact O-CB 3.49Å; V245-C248 PolarHBondContact O-N 2.92Å; V245-C248 VanDerWaalsContact O-N 3.13Å; G246-C248 VanDerWaalsContact C-N 3.31Å; G246-C248 PolarHBondContact O-N 2.91Å; C248-G251 PolarHBondContact O-N 2.99Å; C248-M252 WeakPolarHBondContact O-CG 3.29Å; C248-M252 PolarHBondContact O-N 3.1Å |
| 249 | L | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 71 Ų | 71 | 45% | 0.45 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 178.5 | -62.5 | 174.8 | 0 | 0 | 0 | 112 | V245 G246 G251 M252 T253 | V245-L249 HydrophobicContact CG1-CD1 4.25Å; V245-L249 WeakPolarHBondContact O-CG 3.32Å; V245-L249 PolarHBondContact O-N 3.36Å; V245-L249 VanDerWaalsContact O-N 3.09Å; G246-L249 PolarHBondContact O-N 2.86Å; G246-L249 VanDerWaalsContact O-N 3.15Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-M252 PolarHBondContact O-N 3.39Å; L249-T253 PolarHBondContact O-N 2.62Å; L249-T253 PolarHBondContact O-OG1 3.34Å |
| 250 | D | 98.5 | Very high | 98.2 | Very high | 109 Ų | 109 | 68.9 Ų | 68.9 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 174.3 | -67.6 | -22.2 | 0 | 0 | 0 | 111.1 | G246 K247 T253 T254 | G246-D250 VanDerWaalsContact O-CG 3.3Å; G246-D250 PolarHBondContact O-N 2.97Å; K247-D250 PolarHBondContact O-N 3.44Å; D250-T253 PolarHBondContact O-N 3.26Å; D250-T254 WeakPolarHBondContact O-CB 3.48Å; D250-T254 PolarHBondContact O-N 3.12Å; D250-T254 PolarHBondContact O-OG1 3.02Å |
| 251 | G | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 14% | 0.144 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K247 C248 L249 T253 T254 A255 | K247-G251 PolarHBondContact O-N 3.11Å; C248-G251 PolarHBondContact O-N 2.99Å; L249-G251 VanDerWaalsContact C-N 3.32Å; G251-T253 VanDerWaalsContact C-N 3.34Å; G251-T253 PolarHBondContact O-N 2.85Å; G251-T254 PolarHBondContact O-N 2.98Å; G251-A255 WeakPolarHBondContact O-CB 3.26Å; G251-A255 PolarHBondContact O-N 2.96Å |
| 252 | M | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 76.2 Ų | 76.2 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175 | -65.4 | 179 | -172.8 | 0 | 0 | 112.3 | T76 E79 L80 C248 L249 A255 A256 | T76-M252 HydrophobicContact CG2-CB 4.47Å; T76-M252 HydrophobicContact CG2-CG 3.99Å; T76-M252 HydrophobicContact CG2-SD 4.2Å; E79-M252 HydrophobicContact CB-CE 3.69Å; E79-M252 HydrophobicContact CB-CG 3.69Å; E79-M252 HydrophobicContact CG-CG 4.2Å; L80-M252 HydrophobicContact CB-CE 3.78Å; L80-M252 HydrophobicContact CD1-CE 4.13Å; L80-M252 VanDerWaalsContact N-CE 3.33Å; C248-M252 WeakPolarHBondContact O-CG 3.29Å; C248-M252 PolarHBondContact O-N 3.1Å; L249-M252 PolarHBondContact O-N 3.39Å; M252-A255 PolarHBondContact O-N 2.76Å; M252-A256 PolarHBondContact O-N 3.35Å; M252-A256 VanDerWaalsContact O-N 3.13Å |
| 253 | T | 98.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.6 | -48.5 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | L249 D250 G251 A255 A256 E257 | L249-T253 PolarHBondContact O-N 2.62Å; L249-T253 PolarHBondContact O-OG1 3.34Å; D250-T253 PolarHBondContact O-N 3.26Å; G251-T253 VanDerWaalsContact C-N 3.34Å; G251-T253 PolarHBondContact O-N 2.85Å; T253-A255 VanDerWaalsContact C-N 3.29Å; T253-A255 PolarHBondContact O-N 2.99Å; T253-A256 WeakPolarHBondContact O-CB 3.49Å; T253-A256 PolarHBondContact O-N 2.87Å; T253-A256 VanDerWaalsContact O-N 3.12Å; T253-E257 WeakPolarHBondContact O-CG 3.29Å; T253-E257 PolarHBondContact O-N 3.4Å |
| 254 | T | 98.5 | Very high | 97.9 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 53% | 0.534 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 177 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | D250 G251 A256 E257 S258 | D250-T254 WeakPolarHBondContact O-CB 3.48Å; D250-T254 PolarHBondContact O-N 3.12Å; D250-T254 PolarHBondContact O-OG1 3.02Å; G251-T254 PolarHBondContact O-N 2.98Å; T254-A256 PolarHBondContact O-N 3.4Å; T254-E257 PolarHBondContact O-N 2.95Å; T254-S258 PolarHBondContact O-N 3.08Å |
| 255 | A | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A72 T75 G251 M252 T253 S258 | A72-A255 HydrophobicContact CB-CB 4.45Å; A72-A255 WeakPolarHBondContact CB-O 3.25Å; T75-A255 HydrophobicContact CG2-CB 3.8Å; G251-A255 WeakPolarHBondContact O-CB 3.26Å; G251-A255 PolarHBondContact O-N 2.96Å; M252-A255 PolarHBondContact O-N 2.76Å; T253-A255 VanDerWaalsContact C-N 3.29Å; T253-A255 PolarHBondContact O-N 2.99Å; A255-S258 PolarHBondContact O-N 2.76Å; A255-S258 PolarHBondContact O-OG 2.91Å |
| 256 | A | 98.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M252 T253 T254 S258 I259 | M252-A256 PolarHBondContact O-N 3.35Å; M252-A256 VanDerWaalsContact O-N 3.13Å; T253-A256 WeakPolarHBondContact O-CB 3.49Å; T253-A256 PolarHBondContact O-N 2.87Å; T253-A256 VanDerWaalsContact O-N 3.12Å; T254-A256 PolarHBondContact O-N 3.4Å; A256-S258 PolarHBondContact O-N 3.36Å; A256-I259 WeakPolarHBondContact O-CG1 3.27Å; A256-I259 PolarHBondContact O-N 3.46Å |
| 257 | E | 98.4 | Very high | 97.5 | Very high | 150 Ų | 150 | 74.5 Ų | 74.5 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.1 | -22.3 | 176.4 | -69.8 | 176.6 | 169.4 | 0 | 0 | 113.1 | T253 T254 I259 | T253-E257 WeakPolarHBondContact O-CG 3.29Å; T253-E257 PolarHBondContact O-N 3.4Å; T254-E257 PolarHBondContact O-N 2.95Å; E257-I259 PolarHBondContact O-N 2.8Å |
| 258 | S | 97.6 | Very high | 97.2 | Very high | 63 Ų | 63 | 70.6 Ų | 70.6 | 44% | 0.441 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1 | 178.4 | 78.5 | 0 | 0 | 0 | 0 | 115.1 | T254 A255 A256 E260 | T254-S258 PolarHBondContact O-N 3.08Å; A255-S258 PolarHBondContact O-N 2.76Å; A255-S258 PolarHBondContact O-OG 2.91Å; A256-S258 PolarHBondContact O-N 3.36Å; S258-E260 PolarHBondContact O-N 3.49Å |
| 259 | I | 98 | Very high | 97 | Very high | 68 Ų | 68 | 73.9 Ų | 73.9 | 35% | 0.349 | 41% | 0.412 | S | S | . | . | trans | -74.2 | 126.6 | -178.8 | -62 | 177.6 | 0 | 0 | 0 | 110.3 | F69 A72 A256 E257 P261 | F69-I259 HydrophobicContact CB-CD1 4.22Å; F69-I259 HydrophobicContact CB-CG1 4.48Å; F69-I259 HydrophobicContact CB-CG2 4.14Å; A72-I259 HydrophobicContact CB-CD1 3.87Å; A72-I259 HydrophobicContact CB-CG1 3.62Å; A256-I259 WeakPolarHBondContact O-CG1 3.27Å; A256-I259 PolarHBondContact O-N 3.46Å; E257-I259 PolarHBondContact O-N 2.8Å; I259-P261 WeakPolarHBondContact O-CD 3.18Å | ||
| 260 | E | 97.4 | Very high | 96.7 | Very high | 103 Ų | 103 | 76 Ų | 76 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | trans | -121.5 | 89.6 | -176.4 | -65.3 | -168.2 | 126 | 0 | 0 | 111.8 | S68 S258 K262 T263 D264 | S68-E260 PolarHBondContact OG-N 3.43Å; S258-E260 PolarHBondContact O-N 3.49Å; E260-K262 VanDerWaalsContact C-N 3.28Å; E260-K262 PolarHBondContact O-N 3.41Å; E260-T263 WeakPolarHBondContact CB-OG1 3.31Å; E260-T263 PolarHBondContact O-N 3.35Å; E260-T263 PolarHBondContact OE2-OG1 2.99Å; E260-D264 PolarHBondContact O-N 3.27Å | ||
| 261 | P | 97.7 | Very high | 96.3 | Very high | 91 Ų | 91 | 74.1 Ų | 74.1 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.6 | -33.6 | -174.3 | -25.7 | 34.3 | 0 | 0 | 0 | 114.6 | I259 S265 | I259-P261 WeakPolarHBondContact O-CD 3.18Å; P261-S265 WeakPolarHBondContact O-CB 3.42Å; P261-S265 PolarHBondContact O-N 3.48Å; P261-S265 PolarHBondContact O-OG 3.31Å |
| 262 | K | 97.5 | Very high | 95.9 | Very high | 185 Ų | 185 | 81.7 Ų | 81.7 | 80% | 0.804 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.6 | -44 | 179.2 | -67.6 | -174.1 | -179.3 | 178.4 | 0 | 111.4 | E260 D264 S265 Q266 | E260-K262 VanDerWaalsContact C-N 3.28Å; E260-K262 PolarHBondContact O-N 3.41Å; K262-D264 VanDerWaalsContact C-N 3.32Å; K262-S265 PolarHBondContact O-N 3.03Å; K262-Q266 WeakPolarHBondContact O-CB 3.38Å; K262-Q266 PolarHBondContact O-N 3.39Å |
| 263 | T | 95.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 87.8 Ų | 87.8 | 33% | 0.325 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | E260 S265 Q266 Q267 | E260-T263 WeakPolarHBondContact CB-OG1 3.31Å; E260-T263 PolarHBondContact O-N 3.35Å; E260-T263 PolarHBondContact OE2-OG1 2.99Å; T263-S265 PolarHBondContact O-N 3.48Å; T263-Q266 WeakPolarHBondContact O-CB 3.4Å; T263-Q266 PolarHBondContact O-N 3.21Å; T263-Q267 WeakPolarHBondContact O-CG 3.21Å; T263-Q267 PolarHBondContact O-N 3.37Å |
| 264 | D | 95.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 88 Ų | 88 | 6% | 0.064 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64 | -42 | 179 | -71.9 | -13 | 0 | 0 | 0 | 112.1 | F67 S68 F69 E260 K262 Q266 Q267 V268 | F67-D264 WeakPolarHBondContact CA-OD1 3.37Å; F67-D264 HydrophobicContact CD1-CB 3.94Å; S68-D264 WeakPolarHBondContact CB-OD1 3.47Å; S68-D264 PolarHBondContact N-OD1 3.12Å; S68-D264 PolarHBondContact N-OD2 3.38Å; S68-D264 PolarHBondContact OG-OD1 3.48Å; S68-D264 PolarHBondContact OG-OD2 3.31Å; F69-D264 WeakPolarHBondContact CD1-OD2 3.42Å; F69-D264 PolarHBondContact N-OD2 2.88Å; E260-D264 PolarHBondContact O-N 3.27Å; K262-D264 VanDerWaalsContact C-N 3.32Å; D264-Q266 VanDerWaalsContact C-N 3.3Å; D264-Q266 PolarHBondContact O-N 3.06Å; D264-Q267 WeakPolarHBondContact O-CB 3.49Å; D264-Q267 PolarHBondContact O-N 3.18Å; D264-V268 WeakPolarHBondContact O-CG2 3.37Å; D264-V268 PolarHBondContact O-N 3.01Å; D264-V268 VanDerWaalsContact O-N 3.13Å |
| 265 | S | 95.9 | Very high | 95.2 | Very high | 77 Ų | 77 | 86.7 Ų | 86.7 | 54% | 0.538 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | P261 K262 T263 V268 V269 | P261-S265 WeakPolarHBondContact O-CB 3.42Å; P261-S265 PolarHBondContact O-N 3.48Å; P261-S265 PolarHBondContact O-OG 3.31Å; K262-S265 PolarHBondContact O-N 3.03Å; T263-S265 PolarHBondContact O-N 3.48Å; S265-V268 WeakPolarHBondContact O-CB 3.14Å; S265-V268 PolarHBondContact O-N 3.44Å; S265-V269 PolarHBondContact O-N 3.32Å |
| 266 | Q | 95.3 | Very high | 95 | Very high | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 176.5 | -178.3 | 59.8 | 33.8 | 0 | 0 | 111.6 | K262 T263 D264 V268 V269 E270 | K262-Q266 WeakPolarHBondContact O-CB 3.38Å; K262-Q266 PolarHBondContact O-N 3.39Å; T263-Q266 WeakPolarHBondContact O-CB 3.4Å; T263-Q266 PolarHBondContact O-N 3.21Å; D264-Q266 VanDerWaalsContact C-N 3.3Å; D264-Q266 PolarHBondContact O-N 3.06Å; Q266-V268 VanDerWaalsContact C-N 3.26Å; Q266-V268 PolarHBondContact O-N 2.97Å; Q266-V269 WeakPolarHBondContact O-CB 3.44Å; Q266-V269 PolarHBondContact O-N 3.06Å; Q266-V269 VanDerWaalsContact O-N 3.08Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.37Å; Q266-E270 PolarHBondContact NE2-OE1 3.15Å; Q266-E270 VanDerWaalsContact NE2-OE1 3.16Å; Q266-E270 PolarHBondContact O-N 3.42Å |
| 267 | Q | 93 | Very high | 94.7 | Very high | 44 Ų | 44 | 100.7 Ų | 100.7 | 21% | 0.206 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -60.2 | -34.6 | 174.4 | -75 | -179 | 4.4 | 0 | 0 | 112.7 | K66 F67 T263 D264 E270 S271 | K66-Q267 PolarHBondContact O-OE1 3.01Å; F67-Q267 HydrophobicContact CD1-CB 4.39Å; F67-Q267 HydrophobicContact CE1-CB 4.01Å; T263-Q267 WeakPolarHBondContact O-CG 3.21Å; T263-Q267 PolarHBondContact O-N 3.37Å; D264-Q267 WeakPolarHBondContact O-CB 3.49Å; D264-Q267 PolarHBondContact O-N 3.18Å; Q267-E270 PolarHBondContact O-N 2.94Å; Q267-S271 VanDerWaalsContact O-CB 3.32Å; Q267-S271 WeakPolarHBondContact O-CB 3.35Å; Q267-S271 PolarHBondContact O-N 3.35Å; Q267-S271 PolarHBondContact O-OG 3.46Å |
| 268 | V | 93.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 99.1 Ų | 99.1 | 38% | 0.376 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | F67 D264 S265 Q266 E270 S271 Y272 | F67-V268 HydrophobicContact CE1-CG2 3.64Å; F67-V268 HydrophobicContact CZ-CG2 3.8Å; D264-V268 WeakPolarHBondContact O-CG2 3.37Å; D264-V268 PolarHBondContact O-N 3.01Å; D264-V268 VanDerWaalsContact O-N 3.13Å; S265-V268 WeakPolarHBondContact O-CB 3.14Å; S265-V268 PolarHBondContact O-N 3.44Å; Q266-V268 VanDerWaalsContact C-N 3.26Å; Q266-V268 PolarHBondContact O-N 2.97Å; V268-E270 VanDerWaalsContact C-N 3.32Å; V268-E270 PolarHBondContact O-N 3.42Å; V268-S271 PolarHBondContact O-N 3Å; V268-Y272 HydrophobicContact CG1-CD2 3.7Å; V268-Y272 HydrophobicContact CG1-CE2 4.12Å; V268-Y272 WeakPolarHBondContact O-CD2 3.38Å; V268-Y272 PolarHBondContact O-N 3.49Å |
| 269 | V | 93.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | S265 Q266 S271 Y272 K273 | S265-V269 PolarHBondContact O-N 3.32Å; Q266-V269 WeakPolarHBondContact O-CB 3.44Å; Q266-V269 PolarHBondContact O-N 3.06Å; Q266-V269 VanDerWaalsContact O-N 3.08Å; V269-S271 VanDerWaalsContact C-N 3.29Å; V269-S271 PolarHBondContact O-N 3.32Å; V269-Y272 PolarHBondContact O-N 3.22Å; V269-K273 HydrophobicContact CG1-CB 4.27Å; V269-K273 HydrophobicContact CG1-CD 4.45Å; V269-K273 WeakPolarHBondContact O-CA 3.34Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 PolarHBondContact O-N 2.92Å |
| 270 | E | 91.5 | Very high | 93.8 | Very high | 131 Ų | 131 | 104.1 Ų | 104.1 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -34.9 | 178.8 | -71.4 | 168.7 | -167.2 | 0 | 0 | 113 | Q266 Q267 V268 | Q266-E270 WeakPolarHBondContact CG-OE1 3.37Å; Q266-E270 PolarHBondContact NE2-OE1 3.15Å; Q266-E270 VanDerWaalsContact NE2-OE1 3.16Å; Q266-E270 PolarHBondContact O-N 3.42Å; Q267-E270 PolarHBondContact O-N 2.94Å; V268-E270 VanDerWaalsContact C-N 3.32Å; V268-E270 PolarHBondContact O-N 3.42Å |
| 271 | S | 90.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.8 | -31.1 | -179.7 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | Q267 V268 V269 | Q267-S271 VanDerWaalsContact O-CB 3.32Å; Q267-S271 WeakPolarHBondContact O-CB 3.35Å; Q267-S271 PolarHBondContact O-N 3.35Å; Q267-S271 PolarHBondContact O-OG 3.46Å; V268-S271 PolarHBondContact O-N 3Å; V269-S271 VanDerWaalsContact C-N 3.29Å; V269-S271 PolarHBondContact O-N 3.32Å |
| 272 | Y | 91.3 | Very high | 93.1 | Very high | 173 Ų | 173 | 109 Ų | 109 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -120.4 | -6.9 | -170 | -61.7 | -70.5 | 0 | 0 | 0 | 115.2 | V268 V269 S274 | V268-Y272 HydrophobicContact CG1-CD2 3.7Å; V268-Y272 HydrophobicContact CG1-CE2 4.12Å; V268-Y272 WeakPolarHBondContact O-CD2 3.38Å; V268-Y272 PolarHBondContact O-N 3.49Å; V269-Y272 PolarHBondContact O-N 3.22Å; Y272-S274 PolarHBondContact O-N 3.42Å |
| 273 | K | 93.9 | Very high | 92.8 | Very high | 165 Ų | 165 | 108.5 Ų | 108.5 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | trans | -59.8 | 110.6 | 176.5 | 179.5 | 176.9 | -177.9 | -177.6 | 0 | 109.1 | V269 G275 | V269-K273 HydrophobicContact CG1-CB 4.27Å; V269-K273 HydrophobicContact CG1-CD 4.45Å; V269-K273 WeakPolarHBondContact O-CA 3.34Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 PolarHBondContact O-N 2.92Å; K273-G275 PolarHBondContact O-N 3.26Å | ||
| 274 | S | 94.5 | Very high | 92.4 | Very high | 80 Ų | 80 | 114.3 Ų | 114.3 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | trans | -74.5 | -15 | -175.9 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | Y272 F276 | Y272-S274 PolarHBondContact O-N 3.42Å; S274-F276 VanDerWaalsContact CB-CD2 3.43Å; S274-F276 PolarHBondContact O-N 2.7Å; S274-F276 VanDerWaalsContact OG-CD2 3.26Å; S274-F276 WeakPolarHBondContact OG-CD2 3.32Å; S274-F276 PolarHBondContact OG-N 2.82Å | ||
| 275 | G | 92.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 119.9 Ų | 119.9 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | trans | 76.3 | -0.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K273 | K273-G275 PolarHBondContact O-N 3.26Š| ||
| 276 | F | 92.8 | Very high | 91.1 | Very high | 180 Ų | 180 | 119.6 Ų | 119.6 | 79% | 0.789 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.3 | 174.5 | -65.7 | -59.9 | 0 | 0 | 0 | 111.1 | S274 | S274-F276 VanDerWaalsContact CB-CD2 3.43Å; S274-F276 PolarHBondContact O-N 2.7Å; S274-F276 VanDerWaalsContact OG-CD2 3.26Å; S274-F276 WeakPolarHBondContact OG-CD2 3.32Å; S274-F276 PolarHBondContact OG-N 2.82Å |
| 277 | E | 91.7 | Very high | 90.1 | Very high | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 148.4 | 164.5 | -66.8 | -172.1 | 164.6 | 0 | 0 | 109.9 | ||
| 278 | P | 92.6 | Very high | 89.3 | Confident | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 139.8 | 170.8 | -24 | 34.3 | 0 | 0 | 0 | 110.7 | S280 | P278-S280 PolarHBondContact O-N 3.49Š|
| 279 | P | 92.5 | Very high | 87.6 | Confident | 131 Ų | 131 | 129.8 Ų | 129.8 | 85% | 0.851 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.4 | 177.7 | -23.9 | 32.7 | 0 | 0 | 0 | 111.2 | ||
| 280 | S | 89.9 | Confident | 85.8 | Confident | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 165.2 | 172.1 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | P278 V282 | P278-S280 PolarHBondContact O-N 3.49Å; S280-V282 PolarHBondContact O-N 3.35Å |
| 281 | D | 92.3 | Very high | 83.9 | Confident | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 136.8 | 173.5 | -69.8 | -21.8 | 0 | 0 | 0 | 110.4 | E283 | D281-E283 PolarHBondContact O-N 2.92Š|
| 282 | V | 89.5 | Confident | 82.3 | Confident | 144 Ų | 144 | 140 Ų | 140 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.4 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | S280 | S280-V282 PolarHBondContact O-N 3.35Š|
| 283 | E | 91.2 | Very high | 80.4 | Confident | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.7 | 179.7 | -64.1 | -170 | 164.2 | 0 | 0 | 111.3 | D281 E285 | D281-E283 PolarHBondContact O-N 2.92Å; E283-E285 PolarHBondContact O-N 3.29Å |
| 284 | F | 85.9 | Confident | 78 | Confident | 174 Ų | 174 | 142.2 Ų | 142.2 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -70.7 | 114.5 | 174 | 174.2 | -108.6 | 0 | 0 | 0 | 110 | D286 | F284-D286 HydrophobicContact CD1-CB 3.91Å; F284-D286 HydrophobicContact CE1-CB 3.56Å; F284-D286 PolarHBondContact O-N 2.9Å; F284-D286 VanDerWaalsContact O-N 3.13Å | ||
| 285 | E | 84.1 | Confident | 75.6 | Confident | 129 Ų | 129 | 144.4 Ų | 144.4 | 60% | 0.603 | 77% | 0.771 | S | S | * | * | trans | -77.9 | 93.7 | 172.4 | -69.1 | -173 | -175.4 | 0 | 0 | 110.3 | E283 Y287 | E283-E285 PolarHBondContact O-N 3.29Å; E285-Y287 HydrophobicContact CB-CE1 4.39Å; E285-Y287 HydrophobicContact CB-CE2 4.03Å; E285-Y287 VanDerWaalsContact O-CD2 3.29Å; E285-Y287 WeakPolarHBondContact O-CD2 3.42Å; E285-Y287 PolarHBondContact O-N 2.91Å; E285-Y287 VanDerWaalsContact O-N 3.15Å; E285-Y287 VanDerWaalsContact OE2-CZ 3.29Å; E285-Y287 PolarHBondContact OE2-OH 3.27Å | ||
| 286 | D | 81.4 | Confident | 73.3 | Confident | 72 Ų | 72 | 147 Ų | 147 | 39% | 0.385 | 78% | 0.78 | S | S | . | * | trans | -75.6 | 94.5 | 175.5 | -173.5 | -1.8 | 0 | 0 | 0 | 111.5 | F284 G288 Q289 | F284-D286 HydrophobicContact CD1-CB 3.91Å; F284-D286 HydrophobicContact CE1-CB 3.56Å; F284-D286 PolarHBondContact O-N 2.9Å; F284-D286 VanDerWaalsContact O-N 3.13Å; D286-G288 PolarHBondContact O-N 2.9Å; D286-G288 WeakPolarHBondContact OD1-CA 3.41Å; D286-G288 PolarHBondContact OD1-N 2.99Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.48Å; D286-Q289 PolarHBondContact OD2-NE2 2.88Å | ||
| 287 | Y | 75.1 | Confident | 71 | Confident | 198 Ų | 198 | 146.7 Ų | 146.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -1 | 176.6 | -58.5 | -74.1 | 0 | 0 | 0 | 114.3 | E285 | E285-Y287 HydrophobicContact CB-CE1 4.39Å; E285-Y287 HydrophobicContact CB-CE2 4.03Å; E285-Y287 VanDerWaalsContact O-CD2 3.29Å; E285-Y287 WeakPolarHBondContact O-CD2 3.42Å; E285-Y287 PolarHBondContact O-N 2.91Å; E285-Y287 VanDerWaalsContact O-N 3.15Å; E285-Y287 VanDerWaalsContact OE2-CZ 3.29Å; E285-Y287 PolarHBondContact OE2-OH 3.27Å |
| 288 | G | 74.3 | Confident | 68.5 | Low | 73 Ų | 73 | 145.8 Ų | 145.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -10.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | D286 | D286-G288 PolarHBondContact O-N 2.9Å; D286-G288 WeakPolarHBondContact OD1-CA 3.41Å; D286-G288 PolarHBondContact OD1-N 2.99Å |
| 289 | Q | 57.7 | Low | 65.9 | Low | 146 Ų | 146 | 145.8 Ų | 145.8 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -97 | 137.6 | 177.9 | -71.1 | -176.8 | 36.1 | 0 | 0 | 112.4 | D286 M291 | D286-Q289 WeakPolarHBondContact OD2-CG 3.48Å; D286-Q289 PolarHBondContact OD2-NE2 2.88Å; Q289-M291 PolarHBondContact O-N 3.1Å; Q289-M291 VanDerWaalsContact O-N 3.17Å |
| 290 | A | 56.6 | Low | 63.3 | Low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -61 | 119.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K292 | A290-K292 PolarHBondContact O-N 3.02Š| ||
| 291 | M | 51.9 | Low | 60.6 | Low | 197 Ų | 197 | 146.8 Ų | 146.8 | 97% | 0.97 | 78% | 0.781 | S | S | * | * | trans | -44.9 | 101.9 | -170.4 | -143.8 | 135.6 | -167.5 | 0 | 0 | 113.6 | Q289 | Q289-M291 PolarHBondContact O-N 3.1Å; Q289-M291 VanDerWaalsContact O-N 3.17Å | ||
| 292 | K | 56.1 | Low | 57.7 | Low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -89.5 | 127.7 | 164.2 | -76.7 | -173 | 179.4 | 177.5 | 0 | 108.9 | A290 T294 | A290-K292 PolarHBondContact O-N 3.02Å; K292-T294 PolarHBondContact O-N 2.93Å | ||
| 293 | R | 51.7 | Low | 55.1 | Low | 248 Ų | 248 | 145.5 Ų | 145.5 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -63 | 113.2 | 175.9 | -73.4 | -179.4 | 176.8 | -171.2 | -0.5 | 109.6 | ||||
| 294 | T | 44.9 | Very low | 52.4 | Low | 138 Ų | 138 | 146.1 Ų | 146.1 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -80.4 | 130.2 | 166.8 | 47.3 | 0 | 0 | 0 | 0 | 109.5 | K292 | K292-T294 PolarHBondContact O-N 2.93Š| ||
| 295 | V | 44.1 | Very low | 49.8 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -80.9 | 128.8 | 171.5 | 173.6 | 0 | 0 | 0 | 0 | 106.8 | E297 | V295-E297 PolarHBondContact O-N 2.93Å; V295-E297 VanDerWaalsContact O-N 3.13Å | ||
| 296 | S | 43.1 | Very low | 47.3 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 103.9 | 172.7 | 65.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 297 | E | 44.4 | Very low | 45 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -93.1 | 92.9 | 160.9 | -70.4 | -145.3 | 153.8 | 0 | 0 | 108.9 | V295 | V295-E297 PolarHBondContact O-N 2.93Å; V295-E297 VanDerWaalsContact O-N 3.13Å | ||
| 298 | N | 39.4 | Very low | 43 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -161.6 | 84.2 | 141.2 | -107.9 | 1 | 0 | 0 | 0 | 108.3 | ||||
| 299 | S | 37.4 | Very low | 41.1 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -129.2 | 111.4 | 160 | -80 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 300 | L | 39 | Very low | 40.6 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -102.4 | 93.1 | 152.1 | -74.4 | 165.1 | 0 | 0 | 0 | 105.2 | ||||
| 301 | S | 33.5 | Very low | 39.3 | Very low | 91 Ų | 91 | 153.3 Ų | 153.3 | 64% | 0.636 | 83% | 0.828 | S | S | * | * | 57.8 | 97.7 | 90.9 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 302 | N | 31.4 | Very low | 38.3 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 96% | 0.957 | 82% | 0.822 | S | S | * | * | trans | -151.9 | 130.8 | 130.5 | -110.9 | -16.1 | 0 | 0 | 0 | 110 | ||||
| 303 | A | 33.4 | Very low | 37.4 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -104.4 | 138.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 304 | K | 34.6 | Very low | 36.5 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | -177.2 | 132.6 | 120.3 | -101.7 | -177.5 | 179 | -173.7 | 0 | 113 | |||||
| 305 | E | 31.8 | Very low | 36.2 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | 54.5 | 127.7 | 155.4 | -64.2 | 172.8 | -174.8 | 0 | 0 | 118.4 | ||||
| 306 | G | 32.3 | Very low | 35.7 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | cis | 148.7 | 106.8 | 5.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 307 | K | 33.3 | Very low | 35.5 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | 165.1 | 127.5 | 139 | -103.4 | -174.4 | 170.2 | -177.5 | 0 | 114.2 | ||||
| 308 | E | 32.8 | Very low | 35 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | 66 | 140.4 | 143.3 | -70 | 175.1 | 167.5 | 0 | 0 | 123.2 | ||||
| 309 | K | 33.7 | Very low | 34.9 | Very low | 199 Ų | 199 | 153.9 Ų | 153.9 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | trans | -90.5 | -177.5 | -170.3 | -105.7 | -179.2 | -175.6 | 177.9 | 0 | 111.7 | ||||
| 310 | P | 46.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 71% | 0.714 | 83% | 0.832 | S | S | * | * | cis | -141.6 | 174.9 | -11.5 | 28.4 | -4.6 | 0 | 0 | 0 | 117.2 | ||||
| 311 | A | 30.4 | Very low | 34.8 | Very low | 107 Ų | 107 | 154.6 Ų | 154.6 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | trans | 79 | 120.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 312 | G | 31.6 | Very low | 34.9 | Very low | 81 Ų | 81 | 156.4 Ų | 156.4 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | 176.1 | 104.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 313 | K | 35.5 | Very low | 35 | Very low | 215 Ų | 215 | 156.5 Ų | 156.5 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -64.5 | 137.4 | 179 | -62.5 | 169.4 | 177.2 | 173.3 | 0 | 111.8 | ||||
| 314 | S | 33.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -174.5 | 151.9 | 133.9 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 315 | K | 38.3 | Very low | 34.6 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 152.5 | -169 | -60.2 | 166.1 | 175.1 | 178.4 | 0 | 114.4 | K317 | K315-K317 PolarHBondContact O-N 3.09Š|
| 316 | P | 34.9 | Very low | 34.6 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 121.3 | 170.4 | 30.6 | -29 | 0 | 0 | 0 | 109.4 | ||
| 317 | K | 37.4 | Very low | 34.5 | Very low | 193 Ų | 193 | 160.5 Ų | 160.5 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 126.2 | 167.4 | -75.1 | -174.5 | 178.6 | 179.5 | 0 | 108.4 | K315 | K315-K317 PolarHBondContact O-N 3.09Š|
| 318 | L | 34.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 133.4 | 165.9 | -150.5 | 76.3 | 0 | 0 | 0 | 109.6 | ||
| 319 | W | 36.6 | Very low | 34 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151.9 | -167 | -82.2 | 86.4 | 0 | 0 | 0 | 114.3 | ||
| 320 | P | 43 | Very low | 33.8 | Very low | 103 Ų | 103 | 154.5 Ų | 154.5 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | trans | -110 | 143 | -164.3 | 29.6 | -11.1 | 0 | 0 | 0 | 113.5 | ||||
| 321 | F | 32 | Very low | 32.9 | Very low | 195 Ų | 195 | 158.7 Ų | 158.7 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -85 | 118.9 | 156.6 | -88.8 | -89.8 | 0 | 0 | 0 | 110.5 | ||||
| 322 | I | 36.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 163.2 Ų | 163.2 | 66% | 0.662 | 82% | 0.824 | S | S | * | * | trans | 76.3 | 130.9 | 139.5 | -62.5 | 177.6 | 0 | 0 | 0 | 121.5 | ||||
| 323 | K | 32.3 | Very low | 32.6 | Very low | 181 Ų | 181 | 168.8 Ų | 168.8 | 79% | 0.787 | 83% | 0.825 | S | S | * | * | trans | 93.4 | 132 | 155.7 | -83.1 | 160.6 | -167.3 | 175.3 | 0 | 117.5 | ||||
| 324 | N | 31.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 167.5 Ų | 167.5 | 62% | 0.62 | 82% | 0.823 | S | S | * | * | cis | -169.8 | 147.3 | 44.5 | -116.6 | -7.6 | 0 | 0 | 0 | 115.2 | ||||
| 325 | K | 29.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 166.9 Ų | 166.9 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | trans | 62.3 | 121 | 131.3 | -67.6 | 176.2 | -175.5 | -177.3 | 0 | 124.1 | ||||
| 326 | N | 31.4 | Very low | 31.9 | Very low | 145 Ų | 145 | 165.9 Ų | 165.9 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | 176.7 | 142.5 | 102.7 | -96.6 | -13.3 | 0 | 0 | 0 | 108.5 | |||||
| 327 | K | 29.1 | Very low | 32.1 | Very low | 192 Ų | 192 | 164.3 Ų | 164.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | cis | -151.5 | 146.7 | 7.6 | -101.5 | 170.8 | 176.6 | 175.4 | 0 | 107.3 | ||||
| 328 | S | 25.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 162.6 Ų | 162.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -80.2 | 172.4 | 178.6 | -45.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 329 | P | 29.7 | Very low | 32.3 | Very low | 128 Ų | 128 | 164.6 Ų | 164.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -128.4 | 126.5 | 103.2 | 16.4 | 2.6 | 0 | 0 | 0 | 114.6 | |||||
| 330 | K | 30.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 160.9 Ų | 160.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 26.7 | 113.7 | 147.5 | -61 | -180 | 178.6 | 179.4 | 0 | 120.1 | ||||
| 331 | Q | 27.4 | Very low | 31.9 | Very low | 198 Ų | 198 | 161.8 Ų | 161.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -141.2 | 143.1 | 138.7 | -92.8 | -176.5 | -15.2 | 0 | 0 | 110.2 | ||||
| 332 | H | 27.2 | Very low | 32 | Very low | 203 Ų | 203 | 158.4 Ų | 158.4 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 142.4 | -176.4 | -111.8 | -103.1 | 0 | 0 | 0 | 112.3 | ||||
| 333 | K | 28.4 | Very low | 31.8 | Very low | 197 Ų | 197 | 161.8 Ų | 161.8 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -102.9 | 137.3 | 173.5 | -77 | -173.9 | 175.9 | -175.1 | 0 | 111.1 | ||||
| 334 | E | 29.9 | Very low | 32 | Very low | 189 Ų | 189 | 162 Ų | 162 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -122.5 | 155.4 | 149.4 | -99.3 | -173.4 | 157.8 | 0 | 0 | 109.8 | ||||
| 335 | P | 31.4 | Very low | 32.6 | Very low | 111 Ų | 111 | 160 Ų | 160 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -86.9 | 148.3 | -162.1 | 30.1 | -27.9 | 0 | 0 | 0 | 115.4 | S337 | P335-S337 PolarHBondContact O-N 2.98Š| ||
| 336 | L | 30.4 | Very low | 32.6 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -64.5 | 82.8 | 176.3 | -75.7 | 156.2 | 0 | 0 | 0 | 112.5 | ||
| 337 | S | 38.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 159.5 Ų | 159.5 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -129.5 | 5.8 | 156.4 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | P335 | P335-S337 PolarHBondContact O-N 2.98Š| ||
| 338 | H | 39.3 | Very low | 33.1 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -120.2 | 80.3 | 174.3 | -81.5 | -72.5 | 0 | 0 | 0 | 111.2 | ||||
| 339 | R | 38.2 | Very low | 33.3 | Very low | 217 Ų | 217 | 160.5 Ų | 160.5 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -154.3 | 13.6 | 162.8 | -119.4 | 178.6 | -169.3 | -167.4 | 2.4 | 116 | ||
| 340 | L | 32.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 160.8 Ų | 160.8 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -123.1 | 18.2 | 174.1 | -150.1 | 78.2 | 0 | 0 | 0 | 113.5 | ||
| 341 | N | 38.8 | Very low | 33.3 | Very low | 123 Ų | 123 | 160.5 Ų | 160.5 | 66% | 0.658 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -120 | -1.8 | 173.9 | -99.6 | -10.1 | 0 | 0 | 0 | 114.7 | ||
| 342 | D | 33.1 | Very low | 33.4 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 3.9 | -176.6 | -73.3 | -24.6 | 0 | 0 | 0 | 114.7 | ||
| 343 | F | 32.6 | Very low | 33.3 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 0.4 | 172.4 | -152.6 | -103.4 | 0 | 0 | 0 | 113.8 | ||
| 344 | M | 37.8 | Very low | 33.4 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -130.9 | 7.9 | 177.7 | -74.7 | -81 | -89.9 | 0 | 0 | 113.6 | ||
| 345 | A | 43.1 | Very low | 33.4 | Very low | 76 Ų | 76 | 152 Ų | 152 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | trans | -141.5 | 45.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 346 | S | 29.1 | Very low | 33.2 | Very low | 102 Ų | 102 | 155.3 Ų | 155.3 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -113.7 | 89.2 | 161.2 | 67.4 | 0 | 0 | 0 | 0 | 110.1 | P348 | S346-P348 WeakPolarHBondContact O-CD 3.29Š| ||
| 347 | K | 37.9 | Very low | 33.2 | Very low | 199 Ų | 199 | 158.9 Ų | 158.9 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 126 | 158.5 | -71 | 176.8 | 177.6 | 175 | 0 | 107.9 | K349 | K347-K349 PolarHBondContact O-N 3.17Š| ||
| 348 | P | 33.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 166.2 Ų | 166.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -63.4 | 120.3 | 157.5 | -13.6 | 28.3 | 0 | 0 | 0 | 107.5 | S346 M350 | S346-P348 WeakPolarHBondContact O-CD 3.29Å; P348-M350 VanDerWaalsContact C-N 3.3Å; P348-M350 PolarHBondContact O-N 3.25Å | ||
| 349 | K | 29.4 | Very low | 32.2 | Very low | 207 Ų | 207 | 162.4 Ų | 162.4 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 95.4 | 164.3 | -78.5 | -175.5 | 179.9 | 174.8 | 0 | 107.4 | K347 H351 | K347-K349 PolarHBondContact O-N 3.17Å; K349-H351 PolarHBondContact O-N 3.41Å | ||
| 350 | M | 30.5 | Very low | 32 | Very low | 134 Ų | 134 | 161.5 Ų | 161.5 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | -59.1 | 114.9 | 158.7 | -72.7 | -77.3 | -67.7 | 0 | 0 | 108.5 | P348 L353 | P348-M350 VanDerWaalsContact C-N 3.3Å; P348-M350 PolarHBondContact O-N 3.25Å; M350-L353 HydrophobicContact CE-CD1 4.44Å | ||
| 351 | H | 30.8 | Very low | 32 | Very low | 192 Ų | 192 | 162.4 Ų | 162.4 | 89% | 0.889 | 82% | 0.815 | S | S | * | * | trans | -110.6 | 71.5 | 158.8 | -132.2 | -76.9 | 0 | 0 | 0 | 108.6 | K349 | K349-H351 PolarHBondContact O-N 3.41Š| ||
| 352 | C | 28.7 | Very low | 31.9 | Very low | 93 Ų | 93 | 160.7 Ų | 160.7 | 63% | 0.628 | 81% | 0.813 | S | S | * | * | trans | -174.3 | 149.7 | 154.9 | 40.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 353 | L | 26.7 | Very low | 32.1 | Very low | 159 Ų | 159 | 159.7 Ų | 159.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 88.4 | 62.3 | -173.8 | -49.2 | 175.5 | 0 | 0 | 0 | 116 | M350 | M350-L353 HydrophobicContact CE-CD1 4.44Š| ||
| 354 | R | 29.1 | Very low | 32.2 | Very low | 245 Ų | 245 | 160.5 Ų | 160.5 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -95.2 | 135.1 | 132.7 | -93.7 | -176.6 | -178.8 | 167.1 | 1.2 | 108.1 | ||||
| 355 | S | 29.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 92.7 | 71.6 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 356 | L | 27.9 | Very low | 31.9 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -142.4 | 87.7 | 132.9 | -119.2 | 114.3 | 0 | 0 | 0 | 109.4 | ||||
| 357 | R | 30 | Very low | 32.6 | Very low | 241 Ų | 241 | 158.9 Ų | 158.9 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -139.6 | 102.7 | 151.1 | -90.9 | -149.8 | -158.9 | -99.8 | 4.7 | 108.4 | ||||
| 358 | R | 31.3 | Very low | 32.7 | Very low | 256 Ų | 256 | 159 Ų | 159 | 97% | 0.966 | 79% | 0.787 | S | S | * | * | -171 | 124.7 | 129.7 | -106.4 | -177.1 | -96.1 | -147.1 | 2.1 | 108.9 | |||||
| 359 | G | 27.2 | Very low | 33.1 | Very low | 77 Ų | 77 | 158.7 Ų | 158.7 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 160.3 | 106.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | Q | 33.9 | Very low | 33.8 | Very low | 198 Ų | 198 | 155.6 Ų | 155.6 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -57.2 | 132.5 | -168.6 | -81.4 | 158.3 | -89.2 | 0 | 0 | 114.9 | ||||
| 361 | Q | 31.3 | Very low | 34.4 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | trans | -132.3 | 142.7 | 143.8 | -77.4 | -172.2 | -3.7 | 0 | 0 | 110.1 | ||||
| 362 | S | 36.2 | Very low | 34.9 | Very low | 87 Ų | 87 | 149.8 Ų | 149.8 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -50.7 | 137.8 | -162.8 | 175.6 | 0 | 0 | 0 | 0 | 116.2 | R364 | S362-R364 VanDerWaalsContact C-N 3.29Å; S362-R364 PolarHBondContact O-N 2.99Å | ||
| 363 | P | 38.3 | Very low | 35.5 | Very low | 102 Ų | 102 | 152 Ų | 152 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -71.6 | -9.8 | -175.2 | -15.7 | 29.7 | 0 | 0 | 0 | 116.1 | ||
| 364 | R | 34.8 | Very low | 36.5 | Very low | 218 Ų | 218 | 151.2 Ų | 151.2 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -81.3 | -25 | -171.8 | -87.8 | -173.5 | 170.2 | -173.7 | -2 | 114.9 | S362 | S362-R364 VanDerWaalsContact C-N 3.29Å; S362-R364 PolarHBondContact O-N 2.99Å |
| 365 | S | 37.4 | Very low | 37.4 | Very low | 75 Ų | 75 | 150 Ų | 150 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -79.9 | -35.5 | -178.6 | 168.3 | 0 | 0 | 0 | 0 | 113 | I367 Y368 H369 | S365-I367 VanDerWaalsContact C-N 3.3Å; S365-I367 PolarHBondContact O-N 2.9Å; S365-Y368 PolarHBondContact O-N 3.44Å; S365-H369 PolarHBondContact O-N 2.89Å |
| 366 | L | 37.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -68.6 | -25.1 | -177.1 | -84.7 | 157.4 | 0 | 0 | 0 | 113.9 | K370 | L366-K370 PolarHBondContact O-N 3.5Å |
| 367 | I | 42.8 | Very low | 38.5 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 64% | 0.641 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -78.1 | -36.9 | -177.8 | -61.5 | 175.6 | 0 | 0 | 0 | 111.1 | S365 | S365-I367 VanDerWaalsContact C-N 3.3Å; S365-I367 PolarHBondContact O-N 2.9Å |
| 368 | Y | 39.6 | Very low | 39.3 | Very low | 200 Ų | 200 | 140 Ų | 140 | 78% | 0.784 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.2 | -36.3 | 175.4 | -99.2 | -87 | 0 | 0 | 0 | 112.5 | S365 L372 | S365-Y368 PolarHBondContact O-N 3.44Å; Y368-L372 PolarHBondContact O-N 3.08Å |
| 369 | H | 42.7 | Very low | 39.7 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 52% | 0.519 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -80.2 | -24.1 | -176.8 | -81.9 | -63.7 | 0 | 0 | 0 | 114.9 | S365 E371 M373 | S365-H369 PolarHBondContact O-N 2.89Å; H369-E371 VanDerWaalsContact C-N 3.34Å; H369-M373 PolarHBondContact O-N 2.89Å |
| 370 | K | 43.7 | Very low | 40.5 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.3 | -33.2 | 176 | -150.6 | 178 | -174.2 | -177.9 | 0 | 112 | L366 K374 | L366-K370 PolarHBondContact O-N 3.5Å; K370-K374 PolarHBondContact O-N 3.42Å |
| 371 | E | 42.5 | Very low | 41.1 | Very low | 98 Ų | 98 | 133 Ų | 133 | 46% | 0.458 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -81.5 | -25.1 | 179.5 | -126.8 | 54.4 | -166.4 | 0 | 0 | 112.8 | H369 K374 | H369-E371 VanDerWaalsContact C-N 3.34Å; E371-K374 IonicContact OE1-NZ 2.85Å; E371-K374 IonicContact OE2-NZ 3.23Å |
| 372 | L | 42.3 | Very low | 42 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 56% | 0.555 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.9 | -44.6 | 168.4 | -163.2 | 71.6 | 0 | 0 | 0 | 111.1 | Y368 K374 R375 T376 | Y368-L372 PolarHBondContact O-N 3.08Å; L372-K374 VanDerWaalsContact C-N 3.34Å; L372-K374 PolarHBondContact O-N 2.93Å; L372-R375 PolarHBondContact O-N 3.41Å; L372-T376 PolarHBondContact O-OG1 3.3Å; L372-T376 VanDerWaalsContact O-OG1 3.05Å |
| 373 | M | 41.7 | Very low | 42.6 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.6 | -27.5 | 179 | -80.8 | -156.7 | -76.9 | 0 | 0 | 114.4 | H369 R375 | H369-M373 PolarHBondContact O-N 2.89Å; M373-R375 VanDerWaalsContact C-N 3.32Å |
| 374 | K | 47.6 | Very low | 42.9 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.3 | -23.5 | 174.6 | -80.9 | -177.9 | -178.1 | 170 | 0 | 113.3 | K370 E371 L372 | K370-K374 PolarHBondContact O-N 3.42Å; E371-K374 IonicContact OE1-NZ 2.85Å; E371-K374 IonicContact OE2-NZ 3.23Å; L372-K374 VanDerWaalsContact C-N 3.34Å; L372-K374 PolarHBondContact O-N 2.93Å |
| 375 | R | 46.3 | Very low | 43.5 | Very low | 220 Ų | 220 | 127.2 Ų | 127.2 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -90.5 | -5.9 | -177.9 | -76.7 | -178.7 | 173.5 | 171.5 | -1 | 114.3 | L372 M373 | L372-R375 PolarHBondContact O-N 3.41Å; M373-R375 VanDerWaalsContact C-N 3.32Å |
| 376 | T | 44.7 | Very low | 44.1 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | trans | -117.9 | 17.3 | -167.4 | 45.7 | 0 | 0 | 0 | 0 | 116 | L372 G378 | L372-T376 PolarHBondContact O-OG1 3.3Å; L372-T376 VanDerWaalsContact O-OG1 3.05Å; T376-G378 PolarHBondContact O-N 3.09Å | ||
| 377 | L | 37.3 | Very low | 44.8 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 89% | 0.885 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 99.1 | 169.6 | -79.3 | 163.7 | 0 | 0 | 0 | 110 | ||
| 378 | G | 46.1 | Very low | 45 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.8 | 17.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | T376 | T376-G378 PolarHBondContact O-N 3.09Š|
| 379 | Q | 39.2 | Very low | 45.6 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 76% | 0.757 | 62% | 0.623 | S | S | * | * | trans | -136.5 | 146.3 | 175.9 | -80 | -83.3 | -22.5 | 0 | 0 | 113.2 | T381 | Q379-T381 PolarHBondContact O-N 3.39Š| ||
| 380 | P | 43.7 | Very low | 46.3 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -88.5 | 17.6 | -160.5 | -5.4 | 26.2 | 0 | 0 | 0 | 116.3 | ||
| 381 | T | 46.8 | Very low | 46.7 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 64% | 0.638 | 61% | 0.614 | S | S | * | * | trans | -110 | 9.7 | -164.5 | 40.8 | 0 | 0 | 0 | 0 | 117.3 | Q379 | Q379-T381 PolarHBondContact O-N 3.39Š| ||
| 382 | Y | 49.9 | Very low | 46.9 | Very low | 143 Ų | 143 | 119 Ų | 119 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | trans | -120.4 | 19.3 | -176.2 | -75.5 | -80.9 | 0 | 0 | 0 | 116.4 | F384 E385 A386 | Y382-F384 PolarHBondContact O-N 3.08Å; Y382-E385 HydrophobicContact CD1-CB 4.46Å; Y382-E385 HydrophobicContact CD1-CG 4.36Å; Y382-E385 WeakPolarHBondContact CD1-OE2 3.48Å; Y382-E385 VanDerWaalsContact CE1-OE2 3.26Å; Y382-E385 WeakPolarHBondContact CE1-OE2 3.36Å; Y382-A386 PolarHBondContact O-N 3.03Å | ||
| 383 | A | 49.8 | Very low | 47.2 | Very low | 63 Ų | 63 | 117.6 Ų | 117.6 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.7 | -21.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R387 | A383-R387 WeakPolarHBondContact O-CB 3.4Å; A383-R387 WeakPolarHBondContact O-CD 3.5Å; A383-R387 WeakPolarHBondContact O-CG 3.34Å; A383-R387 PolarHBondContact O-N 3.08Å |
| 384 | F | 45.5 | Very low | 47.7 | Very low | 148 Ų | 148 | 117.5 Ų | 117.5 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -75.7 | -48.1 | 179.4 | -166.6 | -96.8 | 0 | 0 | 0 | 111.9 | Y382 A386 R387 Q388 | Y382-F384 PolarHBondContact O-N 3.08Å; F384-A386 PolarHBondContact O-N 3.37Å; F384-R387 PolarHBondContact O-N 3.45Å; F384-Q388 HydrophobicContact CD1-CG 4.02Å; F384-Q388 HydrophobicContact CE1-CG 3.81Å; F384-Q388 HydrophobicContact CZ-CG 4.39Å; F384-Q388 WeakPolarHBondContact O-CG 3.38Å; F384-Q388 PolarHBondContact O-N 3.33Å |
| 385 | E | 46.8 | Very low | 47.5 | Very low | 124 Ų | 124 | 115.7 Ų | 115.7 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -35.1 | -179.5 | -72.2 | 177.2 | -177.3 | 0 | 0 | 112.6 | Y382 R387 Q388 Y389 | Y382-E385 HydrophobicContact CD1-CB 4.46Å; Y382-E385 HydrophobicContact CD1-CG 4.36Å; Y382-E385 WeakPolarHBondContact CD1-OE2 3.48Å; Y382-E385 VanDerWaalsContact CE1-OE2 3.26Å; Y382-E385 WeakPolarHBondContact CE1-OE2 3.36Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.1Å; E385-Q388 PolarHBondContact O-N 3.41Å; E385-Y389 WeakPolarHBondContact O-CB 3.48Å; E385-Y389 PolarHBondContact O-N 3.26Å |
| 386 | A | 49.4 | Very low | 47.7 | Very low | 60 Ų | 60 | 110.7 Ų | 110.7 | 50% | 0.496 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -36 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y382 F384 V390 | Y382-A386 PolarHBondContact O-N 3.03Å; F384-A386 PolarHBondContact O-N 3.37Å; A386-V390 VanDerWaalsContact O-CG2 3.31Å; A386-V390 WeakPolarHBondContact O-CG2 3.27Å; A386-V390 PolarHBondContact O-N 3.08Å; A386-V390 VanDerWaalsContact O-N 3.11Å |
| 387 | R | 53.4 | Low | 48 | Very low | 177 Ų | 177 | 110.2 Ų | 110.2 | 67% | 0.668 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.4 | -40.2 | 173.8 | -75.8 | 175.1 | -168.4 | -130 | 4.4 | 111.7 | A383 F384 E385 Y389 V390 L391 | A383-R387 WeakPolarHBondContact O-CB 3.4Å; A383-R387 WeakPolarHBondContact O-CD 3.5Å; A383-R387 WeakPolarHBondContact O-CG 3.34Å; A383-R387 PolarHBondContact O-N 3.08Å; F384-R387 PolarHBondContact O-N 3.45Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.1Å; R387-Y389 VanDerWaalsContact C-N 3.33Å; R387-Y389 PolarHBondContact O-N 2.87Å; R387-V390 PolarHBondContact O-N 3.3Å; R387-L391 WeakPolarHBondContact O-CB 3.44Å; R387-L391 VanDerWaalsContact O-CG 3.27Å; R387-L391 WeakPolarHBondContact O-CG 3.38Å; R387-L391 PolarHBondContact O-N 3.49Å |
| 388 | Q | 46.9 | Very low | 48.3 | Very low | 95 Ų | 95 | 107.3 Ų | 107.3 | 44% | 0.444 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.9 | -37.9 | 175.6 | -68.1 | -58.4 | -39 | 0 | 0 | 111.9 | F384 E385 L391 S392 | F384-Q388 HydrophobicContact CD1-CG 4.02Å; F384-Q388 HydrophobicContact CE1-CG 3.81Å; F384-Q388 HydrophobicContact CZ-CG 4.39Å; F384-Q388 WeakPolarHBondContact O-CG 3.38Å; F384-Q388 PolarHBondContact O-N 3.33Å; E385-Q388 PolarHBondContact O-N 3.41Å; Q388-L391 PolarHBondContact O-N 3.23Å; Q388-S392 WeakPolarHBondContact O-CB 3.32Å; Q388-S392 PolarHBondContact O-N 3.13Å; Q388-S392 PolarHBondContact O-OG 3.43Å |
| 389 | Y | 50.5 | Low | 48.3 | Very low | 152 Ų | 152 | 108.4 Ų | 108.4 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -40 | 175 | -177 | -107.6 | 0 | 0 | 0 | 113.1 | E385 R387 S392 L393 | E385-Y389 WeakPolarHBondContact O-CB 3.48Å; E385-Y389 PolarHBondContact O-N 3.26Å; R387-Y389 VanDerWaalsContact C-N 3.33Å; R387-Y389 PolarHBondContact O-N 2.87Å; Y389-S392 WeakPolarHBondContact CA-OG 3.05Å; Y389-S392 PolarHBondContact O-N 2.9Å; Y389-S392 PolarHBondContact O-OG 2.67Å; Y389-L393 HydrophobicContact CD1-CD1 3.8Å; Y389-L393 HydrophobicContact CE1-CD1 3.35Å; Y389-L393 HydrophobicContact CE1-CG 4.36Å; Y389-L393 HydrophobicContact CE2-CD1 4.3Å; Y389-L393 HydrophobicContact CG-CD1 4.45Å; Y389-L393 WeakPolarHBondContact O-CB 3.47Å; Y389-L393 WeakPolarHBondContact O-CG 3.25Å; Y389-L393 PolarHBondContact O-N 2.72Å |
| 390 | V | 58.1 | Low | 48.4 | Very low | 73 Ų | 73 | 103.9 Ų | 103.9 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | A386 R387 K394 | A386-V390 VanDerWaalsContact O-CG2 3.31Å; A386-V390 WeakPolarHBondContact O-CG2 3.27Å; A386-V390 PolarHBondContact O-N 3.08Å; A386-V390 VanDerWaalsContact O-N 3.11Å; R387-V390 PolarHBondContact O-N 3.3Å; V390-K394 HydrophobicContact CG1-CD 4.23Å; V390-K394 WeakPolarHBondContact O-CB 3.29Å; V390-K394 VanDerWaalsContact O-CG 3.28Å; V390-K394 WeakPolarHBondContact O-CG 3.43Å; V390-K394 PolarHBondContact O-N 3.02Å |
| 391 | L | 52.4 | Low | 48.3 | Very low | 98 Ų | 98 | 103.8 Ų | 103.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 174.4 | -76 | 167.2 | 0 | 0 | 0 | 111.7 | R387 Q388 K394 L395 | R387-L391 WeakPolarHBondContact O-CB 3.44Å; R387-L391 VanDerWaalsContact O-CG 3.27Å; R387-L391 WeakPolarHBondContact O-CG 3.38Å; R387-L391 PolarHBondContact O-N 3.49Å; Q388-L391 PolarHBondContact O-N 3.23Å; L391-K394 PolarHBondContact O-N 3.28Å; L391-L395 VanDerWaalsContact O-CB 3.3Å; L391-L395 WeakPolarHBondContact O-CB 3.47Å; L391-L395 PolarHBondContact O-N 3.23Å |
| 392 | S | 46.5 | Very low | 48.3 | Very low | 53 Ų | 53 | 101.9 Ų | 101.9 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 176.3 | 65.9 | 0 | 0 | 0 | 0 | 112 | Q388 Y389 L395 I396 | Q388-S392 WeakPolarHBondContact O-CB 3.32Å; Q388-S392 PolarHBondContact O-N 3.13Å; Q388-S392 PolarHBondContact O-OG 3.43Å; Y389-S392 WeakPolarHBondContact CA-OG 3.05Å; Y389-S392 PolarHBondContact O-N 2.9Å; Y389-S392 PolarHBondContact O-OG 2.67Å; S392-L395 PolarHBondContact O-N 3.47Å; S392-I396 WeakPolarHBondContact O-CD1 3.34Å; S392-I396 WeakPolarHBondContact O-CG1 3.4Å; S392-I396 PolarHBondContact O-N 3.4Å |
| 393 | L | 48.5 | Very low | 47.8 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 173 | -78.5 | 170 | 0 | 0 | 0 | 111.2 | Y389 L395 I396 T397 | Y389-L393 HydrophobicContact CD1-CD1 3.8Å; Y389-L393 HydrophobicContact CE1-CD1 3.35Å; Y389-L393 HydrophobicContact CE1-CG 4.36Å; Y389-L393 HydrophobicContact CE2-CD1 4.3Å; Y389-L393 HydrophobicContact CG-CD1 4.45Å; Y389-L393 WeakPolarHBondContact O-CB 3.47Å; Y389-L393 WeakPolarHBondContact O-CG 3.25Å; Y389-L393 PolarHBondContact O-N 2.72Å; L393-L395 VanDerWaalsContact C-N 3.33Å; L393-L395 PolarHBondContact O-N 3.43Å; L393-I396 PolarHBondContact O-N 2.9Å; L393-T397 PolarHBondContact O-N 2.95Å; L393-T397 PolarHBondContact O-OG1 3.33Å |
| 394 | K | 51.4 | Low | 47.3 | Very low | 137 Ų | 137 | 105.3 Ų | 105.3 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 175.9 | -78.9 | -179.1 | 175.5 | -172.4 | 0 | 112.3 | V390 L391 T397 L398 | V390-K394 HydrophobicContact CG1-CD 4.23Å; V390-K394 WeakPolarHBondContact O-CB 3.29Å; V390-K394 VanDerWaalsContact O-CG 3.28Å; V390-K394 WeakPolarHBondContact O-CG 3.43Å; V390-K394 PolarHBondContact O-N 3.02Å; L391-K394 PolarHBondContact O-N 3.28Å; K394-T397 PolarHBondContact O-N 2.96Å; K394-L398 VanDerWaalsContact O-CB 3.28Å; K394-L398 WeakPolarHBondContact O-CB 3.43Å; K394-L398 PolarHBondContact O-N 2.99Å |
| 395 | L | 45.3 | Very low | 47.3 | Very low | 105 Ų | 105 | 105 Ų | 105 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 178.3 | -160.6 | 74.2 | 0 | 0 | 0 | 111.9 | L391 S392 L393 N399 | L391-L395 VanDerWaalsContact O-CB 3.3Å; L391-L395 WeakPolarHBondContact O-CB 3.47Å; L391-L395 PolarHBondContact O-N 3.23Å; S392-L395 PolarHBondContact O-N 3.47Å; L393-L395 VanDerWaalsContact C-N 3.33Å; L393-L395 PolarHBondContact O-N 3.43Å; L395-N399 VanDerWaalsContact O-CB 3.31Å; L395-N399 WeakPolarHBondContact O-CB 3.43Å; L395-N399 VanDerWaalsContact O-CG 3.3Å; L395-N399 PolarHBondContact O-N 2.98Å; L395-N399 PolarHBondContact O-ND2 2.92Å |
| 396 | I | 50 | Low | 47.3 | Very low | 115 Ų | 115 | 105.4 Ų | 105.4 | 59% | 0.59 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 173 | -68.4 | 163.6 | 0 | 0 | 0 | 110.8 | S392 L393 N399 S400 | S392-I396 WeakPolarHBondContact O-CD1 3.34Å; S392-I396 WeakPolarHBondContact O-CG1 3.4Å; S392-I396 PolarHBondContact O-N 3.4Å; L393-I396 PolarHBondContact O-N 2.9Å; I396-N399 PolarHBondContact O-N 3.1Å; I396-S400 PolarHBondContact O-N 3.05Å |
| 397 | T | 51.4 | Low | 46.8 | Very low | 75 Ų | 75 | 109.4 Ų | 109.4 | 46% | 0.46 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.7 | -35.1 | 176.9 | -43.7 | 0 | 0 | 0 | 0 | 112.4 | L393 K394 S400 H401 | L393-T397 PolarHBondContact O-N 2.95Å; L393-T397 PolarHBondContact O-OG1 3.33Å; K394-T397 PolarHBondContact O-N 2.96Å; T397-S400 PolarHBondContact O-N 2.94Å; T397-S400 PolarHBondContact O-OG 3.44Å; T397-H401 PolarHBondContact O-N 3.08Å; T397-H401 PolarHBondContact O-ND1 3.15Å |
| 398 | L | 43.6 | Very low | 46 | Very low | 108 Ų | 108 | 104.9 Ų | 104.9 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.3 | -42.7 | 175.3 | -152.7 | 86.7 | 0 | 0 | 0 | 110.6 | K394 S400 H401 V402 | K394-L398 VanDerWaalsContact O-CB 3.28Å; K394-L398 WeakPolarHBondContact O-CB 3.43Å; K394-L398 PolarHBondContact O-N 2.99Å; L398-S400 VanDerWaalsContact C-N 3.31Å; L398-S400 PolarHBondContact O-N 2.93Å; L398-H401 PolarHBondContact O-N 3.38Å; L398-V402 HydrophobicContact CG-CG2 4.49Å; L398-V402 VanDerWaalsContact O-CB 3.29Å; L398-V402 WeakPolarHBondContact O-CB 3.38Å; L398-V402 WeakPolarHBondContact O-CG2 3.48Å; L398-V402 PolarHBondContact O-N 3.02Å |
| 399 | N | 44.4 | Very low | 45.4 | Very low | 94 Ų | 94 | 104.5 Ų | 104.5 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -30.4 | 175.3 | -78.2 | -28.8 | 0 | 0 | 0 | 112.9 | L395 I396 R403 | L395-N399 VanDerWaalsContact O-CB 3.31Å; L395-N399 WeakPolarHBondContact O-CB 3.43Å; L395-N399 VanDerWaalsContact O-CG 3.3Å; L395-N399 PolarHBondContact O-N 2.98Å; L395-N399 PolarHBondContact O-ND2 2.92Å; I396-N399 PolarHBondContact O-N 3.1Å; N399-R403 WeakPolarHBondContact O-CB 3.46Å; N399-R403 PolarHBondContact O-N 3.05Å |
| 400 | S | 43 | Very low | 45.2 | Very low | 66 Ų | 66 | 99.9 Ų | 99.9 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.3 | -38.8 | 172.8 | 91 | 0 | 0 | 0 | 0 | 112.2 | I396 T397 L398 S404 | I396-S400 PolarHBondContact O-N 3.05Å; T397-S400 PolarHBondContact O-N 2.94Å; T397-S400 PolarHBondContact O-OG 3.44Å; L398-S400 VanDerWaalsContact C-N 3.31Å; L398-S400 PolarHBondContact O-N 2.93Å; S400-S404 WeakPolarHBondContact O-CB 3.4Å; S400-S404 PolarHBondContact O-N 3.41Å |
| 401 | H | 41.8 | Very low | 45.4 | Very low | 115 Ų | 115 | 99.9 Ų | 99.9 | 53% | 0.532 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.4 | -37.5 | 175.4 | -85.4 | 72.4 | 0 | 0 | 0 | 112.2 | T397 L398 S404 L405 | T397-H401 PolarHBondContact O-N 3.08Å; T397-H401 PolarHBondContact O-ND1 3.15Å; L398-H401 PolarHBondContact O-N 3.38Å; H401-S404 WeakPolarHBondContact O-CB 3.34Å; H401-S404 PolarHBondContact O-N 3.14Å; H401-L405 WeakPolarHBondContact O-CB 3.34Å; H401-L405 WeakPolarHBondContact O-CD1 3.46Å; H401-L405 PolarHBondContact O-N 3.24Å |
| 402 | V | 46.3 | Very low | 46.2 | Very low | 63 Ų | 63 | 100 Ų | 100 | 38% | 0.382 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.9 | -38.1 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L398 L405 I406 | L398-V402 HydrophobicContact CG-CG2 4.49Å; L398-V402 VanDerWaalsContact O-CB 3.29Å; L398-V402 WeakPolarHBondContact O-CB 3.38Å; L398-V402 WeakPolarHBondContact O-CG2 3.48Å; L398-V402 PolarHBondContact O-N 3.02Å; V402-L405 PolarHBondContact O-N 3.01Å; V402-I406 HydrophobicContact CG1-CD1 3.71Å; V402-I406 HydrophobicContact CG1-CG1 4.47Å; V402-I406 WeakPolarHBondContact O-CD1 3.22Å; V402-I406 VanDerWaalsContact O-CG1 3.22Å; V402-I406 WeakPolarHBondContact O-CG1 3.24Å; V402-I406 PolarHBondContact O-N 3.24Å; V402-I406 VanDerWaalsContact O-N 3.08Å |
| 403 | R | 38.3 | Very low | 47.5 | Very low | 190 Ų | 190 | 99.2 Ų | 99.2 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.8 | -42.4 | 168.3 | -91.2 | -173.3 | 178.8 | -176.6 | -1.6 | 112.6 | N399 L405 I406 E407 | N399-R403 WeakPolarHBondContact O-CB 3.46Å; N399-R403 PolarHBondContact O-N 3.05Å; R403-L405 PolarHBondContact O-N 3.39Å; R403-I406 PolarHBondContact O-N 3.23Å; R403-E407 PolarHBondContact O-N 2.99Å |
| 404 | S | 39.7 | Very low | 49.2 | Very low | 89 Ų | 89 | 98 Ų | 98 | 62% | 0.622 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -22.3 | 176.2 | -178 | 0 | 0 | 0 | 0 | 114.1 | S400 H401 | S400-S404 WeakPolarHBondContact O-CB 3.4Å; S400-S404 PolarHBondContact O-N 3.41Å; H401-S404 WeakPolarHBondContact O-CB 3.34Å; H401-S404 PolarHBondContact O-N 3.14Å |
| 405 | L | 44.7 | Very low | 50.6 | Low | 141 Ų | 141 | 94.3 Ų | 94.3 | 74% | 0.738 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -90.2 | -21.5 | 177.2 | -85.6 | 156.2 | 0 | 0 | 0 | 112.8 | H401 V402 R403 | H401-L405 WeakPolarHBondContact O-CB 3.34Å; H401-L405 WeakPolarHBondContact O-CD1 3.46Å; H401-L405 PolarHBondContact O-N 3.24Å; V402-L405 PolarHBondContact O-N 3.01Å; R403-L405 PolarHBondContact O-N 3.39Å |
| 406 | I | 47.5 | Very low | 52.2 | Low | 133 Ų | 133 | 95.2 Ų | 95.2 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -86.1 | -30.5 | 178.2 | -68 | 167 | 0 | 0 | 0 | 111.2 | V402 R403 G408 | V402-I406 HydrophobicContact CG1-CD1 3.71Å; V402-I406 HydrophobicContact CG1-CG1 4.47Å; V402-I406 WeakPolarHBondContact O-CD1 3.22Å; V402-I406 VanDerWaalsContact O-CG1 3.22Å; V402-I406 WeakPolarHBondContact O-CG1 3.24Å; V402-I406 PolarHBondContact O-N 3.24Å; V402-I406 VanDerWaalsContact O-N 3.08Å; R403-I406 PolarHBondContact O-N 3.23Å; I406-G408 PolarHBondContact O-N 3.19Å |
| 407 | E | 39.1 | Very low | 53.6 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -95.6 | 86.2 | 174.2 | -72.9 | 172.6 | -174.9 | 0 | 0 | 110.3 | R403 S409 | R403-E407 PolarHBondContact O-N 2.99Å; E407-S409 VanDerWaalsContact C-N 3.28Å; E407-S409 PolarHBondContact O-N 2.77Å |
| 408 | G | 36.1 | Very low | 55.1 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 85% | 0.845 | 52% | 0.52 | S | S | * | . | trans | -69.6 | 74.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I406 | I406-G408 PolarHBondContact O-N 3.19Š| ||
| 409 | S | 34 | Very low | 56.9 | Low | 87 Ų | 87 | 90 Ų | 90 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -166.7 | 124.5 | 156.5 | 53.8 | 0 | 0 | 0 | 0 | 107 | E407 | E407-S409 VanDerWaalsContact C-N 3.28Å; E407-S409 PolarHBondContact O-N 2.77Å |
| 410 | G | 47.8 | Very low | 58.7 | Low | 54 Ų | 54 | 91.6 Ų | 91.6 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | trans | -53.8 | 161.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | E412 | G410-E412 PolarHBondContact O-N 3.48Š| ||
| 411 | P | 61.6 | Low | 60.6 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 47% | 0.474 | 52% | 0.524 | S | S | . | . | trans | -50.6 | 119.5 | -178.5 | -25.5 | 33.5 | 0 | 0 | 0 | 110.9 | D413 F414 S415 | P411-D413 WeakPolarHBondContact CB-OD1 3.49Å; P411-D413 PolarHBondContact O-N 2.87Å; P411-F414 PolarHBondContact O-N 2.95Å; P411-S415 WeakPolarHBondContact CB-OG 3.43Å | ||
| 412 | E | 69.6 | Low | 62.8 | Low | 100 Ų | 100 | 89.9 Ų | 89.9 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19.9 | -178.5 | -69.2 | -178.8 | 162.6 | 0 | 0 | 112.6 | G410 F414 K486 F487 W490 | G410-E412 PolarHBondContact O-N 3.48Å; E412-F414 WeakPolarHBondContact O-CD2 3.27Å; E412-F414 WeakPolarHBondContact O-CE2 3.46Å; E412-F414 PolarHBondContact O-N 3.42Å; E412-K486 IonicContact OE2-NZ 3.55Å; E412-K486 PolarHBondContact OE2-NZ 2.93Å; E412-F487 WeakPolarHBondContact O-CE1 3.46Å; E412-W490 HydrophobicContact CB-CH2 3.88Å; E412-W490 HydrophobicContact CB-CZ3 4.01Å |
| 413 | D | 74.4 | Confident | 64.9 | Low | 37 Ų | 37 | 91.3 Ų | 91.3 | 20% | 0.198 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.3 | 178.9 | 77.4 | -19.1 | 0 | 0 | 0 | 113.8 | P411 S415 R422 W490 | P411-D413 WeakPolarHBondContact CB-OD1 3.49Å; P411-D413 PolarHBondContact O-N 2.87Å; D413-S415 PolarHBondContact O-N 3.28Å; D413-S415 VanDerWaalsContact O-N 3.14Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 2.95Å; D413-S415 PolarHBondContact OD1-OG 3.12Å; D413-S415 WeakPolarHBondContact OD2-CB 3.26Å; D413-S415 PolarHBondContact OD2-OG 2.96Å; D413-R422 PolarHBondContact O-NE 3.2Å; D413-R422 PolarHBondContact O-NH2 3.37Å; D413-R422 IonicContact OD2-NH2 3.9Å; D413-R422 PolarHBondContact OD2-NH2 3.37Å; D413-R422 VanDerWaalsContact OD2-NH2 3.1Å; D413-W490 HydrophobicContact CB-CD2 3.64Å; D413-W490 HydrophobicContact CB-CE3 3.82Å; D413-W490 HydrophobicContact CB-CG 4.14Å; D413-W490 HydrophobicContact CB-CH2 3.92Å; D413-W490 HydrophobicContact CB-CZ2 3.82Å; D413-W490 HydrophobicContact CB-CZ3 3.96Å |
| 414 | F | 83 | Confident | 67.3 | Low | 51 Ų | 51 | 90.5 Ų | 90.5 | 22% | 0.224 | 50% | 0.504 | C | S | . | . | trans | 55.4 | 27 | -177.4 | -54.7 | -78.5 | 0 | 0 | 0 | 113.9 | P411 E412 H416 L417 R422 K425 L426 F487 | P411-F414 PolarHBondContact O-N 2.95Å; E412-F414 WeakPolarHBondContact O-CD2 3.27Å; E412-F414 WeakPolarHBondContact O-CE2 3.46Å; E412-F414 PolarHBondContact O-N 3.42Å; F414-H416 PolarHBondContact O-N 3.44Å; F414-L417 HydrophobicContact CB-CD1 4.08Å; F414-L417 HydrophobicContact CB-CG 4.46Å; F414-L417 HydrophobicContact CD1-CD1 4.18Å; F414-L417 HydrophobicContact CG-CD1 4.48Å; F414-L417 PolarHBondContact O-N 2.99Å; F414-R422 HydrophobicContact CB-CG 3.94Å; F414-R422 WeakPolarHBondContact O-CD 3.33Å; F414-R422 WeakPolarHBondContact O-CG 3.41Å; F414-K425 HydrophobicContact CD1-CB 4.27Å; F414-K425 HydrophobicContact CD2-CB 4.33Å; F414-K425 HydrophobicContact CE1-CB 4.37Å; F414-K425 HydrophobicContact CE2-CB 4.41Å; F414-K425 HydrophobicContact CG-CB 4.25Å; F414-K425 HydrophobicContact CZ-CB 4.43Å; F414-L426 HydrophobicContact CD2-CD2 3.61Å; F414-L426 HydrophobicContact CD2-CG 3.94Å; F414-L426 HydrophobicContact CE2-CD2 4.09Å; F414-F487 HydrophobicContact CE2-CE1 4.16Å | ||
| 415 | S | 80.3 | Confident | 69.6 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16.9 | -178.7 | 47.2 | 0 | 0 | 0 | 0 | 115 | P411 D413 L417 | P411-S415 WeakPolarHBondContact CB-OG 3.43Å; D413-S415 PolarHBondContact O-N 3.28Å; D413-S415 VanDerWaalsContact O-N 3.14Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 2.95Å; D413-S415 PolarHBondContact OD1-OG 3.12Å; D413-S415 WeakPolarHBondContact OD2-CB 3.26Å; D413-S415 PolarHBondContact OD2-OG 2.96Å; S415-L417 VanDerWaalsContact C-N 3.31Å |
| 416 | H | 79.4 | Confident | 71.9 | Confident | 124 Ų | 124 | 85.6 Ų | 85.6 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -11.5 | 175.7 | 67.7 | -81.3 | 0 | 0 | 0 | 114 | F414 | F414-H416 PolarHBondContact O-N 3.44Š|
| 417 | L | 80.4 | Confident | 74 | Confident | 43 Ų | 43 | 82.8 Ų | 82.8 | 23% | 0.225 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -96.1 | 150.1 | -176.7 | -61.2 | -178.4 | 0 | 0 | 0 | 113 | F414 S415 Q421 R422 K425 | F414-L417 HydrophobicContact CB-CD1 4.08Å; F414-L417 HydrophobicContact CB-CG 4.46Å; F414-L417 HydrophobicContact CD1-CD1 4.18Å; F414-L417 HydrophobicContact CG-CD1 4.48Å; F414-L417 PolarHBondContact O-N 2.99Å; S415-L417 VanDerWaalsContact C-N 3.31Å; L417-Q421 HydrophobicContact CB-CB 4.37Å; L417-R422 HydrophobicContact CB-CB 4.13Å; L417-K425 HydrophobicContact CD1-CB 4.42Å; L417-K425 HydrophobicContact CD1-CG 3.91Å |
| 418 | P | 82.1 | Confident | 76.4 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | trans | -54.3 | 147.7 | 168.8 | -24.8 | 33.6 | 0 | 0 | 0 | 112.5 | E420 Q421 R422 | P418-E420 PolarHBondContact O-N 3.34Å; P418-E420 VanDerWaalsContact O-N 3.15Å; P418-Q421 PolarHBondContact O-N 3.45Å; P418-R422 WeakPolarHBondContact O-CB 3.39Å; P418-R422 PolarHBondContact O-N 3.43Å | ||
| 419 | P | 81.3 | Confident | 79 | Confident | 74 Ų | 74 | 77 Ų | 77 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -52.2 | -41.9 | -170.7 | -30.2 | 35.8 | 0 | 0 | 0 | 115.8 | R423 V494 M498 | P419-R423 WeakPolarHBondContact O-CB 3.45Å; P419-R423 PolarHBondContact O-N 2.98Å; P419-V494 HydrophobicContact CB-CG1 4.28Å; P419-V494 WeakPolarHBondContact O-CG1 3.48Å; P419-M498 HydrophobicContact CB-SD 3.8Å |
| 420 | E | 82.3 | Confident | 81.9 | Confident | 128 Ų | 128 | 73.2 Ų | 73.2 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | 178.4 | -75.6 | 177.8 | 153.4 | 0 | 0 | 113 | P418 K424 M498 | P418-E420 PolarHBondContact O-N 3.34Å; P418-E420 VanDerWaalsContact O-N 3.15Å; E420-K424 PolarHBondContact O-N 3.29Å; E420-K424 VanDerWaalsContact O-N 3.07Å; E420-M498 HydrophobicContact CG-CE 3.5Å; E420-M498 HydrophobicContact CG-SD 4.19Å |
| 421 | Q | 82.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 74.7 Ų | 74.7 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 175.4 | -67.8 | -176.9 | -2 | 0 | 0 | 111 | L417 P418 K424 K425 | L417-Q421 HydrophobicContact CB-CB 4.37Å; P418-Q421 PolarHBondContact O-N 3.45Å; Q421-K424 PolarHBondContact O-N 3.2Å; Q421-K425 WeakPolarHBondContact O-CB 3.45Å; Q421-K425 WeakPolarHBondContact O-CG 3.25Å; Q421-K425 PolarHBondContact O-N 2.99Å |
| 422 | R | 88.1 | Confident | 85.6 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 12% | 0.121 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 173.6 | -171.1 | 175.5 | -179.5 | -164.1 | 3.8 | 110.9 | D413 F414 L417 P418 K424 K425 L426 V494 | D413-R422 PolarHBondContact O-NE 3.2Å; D413-R422 PolarHBondContact O-NH2 3.37Å; D413-R422 IonicContact OD2-NH2 3.9Å; D413-R422 PolarHBondContact OD2-NH2 3.37Å; D413-R422 VanDerWaalsContact OD2-NH2 3.1Å; F414-R422 HydrophobicContact CB-CG 3.94Å; F414-R422 WeakPolarHBondContact O-CD 3.33Å; F414-R422 WeakPolarHBondContact O-CG 3.41Å; L417-R422 HydrophobicContact CB-CB 4.13Å; P418-R422 WeakPolarHBondContact O-CB 3.39Å; P418-R422 PolarHBondContact O-N 3.43Å; R422-K424 PolarHBondContact O-N 3.42Å; R422-K425 PolarHBondContact O-N 2.83Å; R422-L426 HydrophobicContact CG-CD1 3.88Å; R422-L426 HydrophobicContact CG-CG 4.43Å; R422-L426 WeakPolarHBondContact O-CB 3.44Å; R422-L426 VanDerWaalsContact O-CG 3.27Å; R422-L426 WeakPolarHBondContact O-CG 3.29Å; R422-L426 PolarHBondContact O-N 3.32Å; R422-V494 HydrophobicContact CG-CG2 3.97Å |
| 423 | R | 90.6 | Very high | 86.7 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 175.1 | -168.2 | -170.5 | 71 | -145.1 | -2.9 | 111.6 | P419 K425 L426 Q427 L491 V494 | P419-R423 WeakPolarHBondContact O-CB 3.45Å; P419-R423 PolarHBondContact O-N 2.98Å; R423-K425 VanDerWaalsContact C-N 3.35Å; R423-K425 PolarHBondContact O-N 2.7Å; R423-L426 PolarHBondContact O-N 3.44Å; R423-Q427 WeakPolarHBondContact O-CB 3.41Å; R423-Q427 PolarHBondContact O-N 3.25Å; R423-L491 HydrophobicContact CB-CD1 4.27Å; R423-L491 HydrophobicContact CG-CD1 3.48Å; R423-L491 VanDerWaalsContact CG-CD1 3.48Å; R423-V494 HydrophobicContact CB-CG1 4.1Å |
| 424 | K | 90.1 | Very high | 87.7 | Confident | 172 Ų | 172 | 73 Ų | 73 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | -179.5 | -169.1 | 177.7 | -179.5 | -177.6 | 0 | 112.2 | E420 Q421 R422 G428 | E420-K424 PolarHBondContact O-N 3.29Å; E420-K424 VanDerWaalsContact O-N 3.07Å; Q421-K424 PolarHBondContact O-N 3.2Å; R422-K424 PolarHBondContact O-N 3.42Å; K424-G428 PolarHBondContact O-N 2.74Å |
| 425 | K | 87.7 | Confident | 88.3 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.3 | -41.6 | 177.3 | -74.4 | -67.5 | -169.5 | 179.3 | 0 | 112.8 | F414 L417 Q421 R422 R423 G428 K429 | F414-K425 HydrophobicContact CD1-CB 4.27Å; F414-K425 HydrophobicContact CD2-CB 4.33Å; F414-K425 HydrophobicContact CE1-CB 4.37Å; F414-K425 HydrophobicContact CE2-CB 4.41Å; F414-K425 HydrophobicContact CG-CB 4.25Å; F414-K425 HydrophobicContact CZ-CB 4.43Å; L417-K425 HydrophobicContact CD1-CB 4.42Å; L417-K425 HydrophobicContact CD1-CG 3.91Å; Q421-K425 WeakPolarHBondContact O-CB 3.45Å; Q421-K425 WeakPolarHBondContact O-CG 3.25Å; Q421-K425 PolarHBondContact O-N 2.99Å; R422-K425 PolarHBondContact O-N 2.83Å; R423-K425 VanDerWaalsContact C-N 3.35Å; R423-K425 PolarHBondContact O-N 2.7Å; K425-G428 PolarHBondContact O-N 3.02Å; K425-K429 PolarHBondContact O-N 2.91Å |
| 426 | L | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 174.4 | -73.5 | 169.8 | 0 | 0 | 0 | 111.2 | F414 R422 R423 K429 I430 F487 W490 L491 V494 | F414-L426 HydrophobicContact CD2-CD2 3.61Å; F414-L426 HydrophobicContact CD2-CG 3.94Å; F414-L426 HydrophobicContact CE2-CD2 4.09Å; R422-L426 HydrophobicContact CG-CD1 3.88Å; R422-L426 HydrophobicContact CG-CG 4.43Å; R422-L426 WeakPolarHBondContact O-CB 3.44Å; R422-L426 VanDerWaalsContact O-CG 3.27Å; R422-L426 WeakPolarHBondContact O-CG 3.29Å; R422-L426 PolarHBondContact O-N 3.32Å; R423-L426 PolarHBondContact O-N 3.44Å; L426-K429 PolarHBondContact O-N 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.45Å; L426-I430 PolarHBondContact O-N 2.92Å; L426-F487 HydrophobicContact CD2-CD1 3.66Å; L426-F487 HydrophobicContact CD2-CE1 4.28Å; L426-W490 HydrophobicContact CD1-CB 4.09Å; L426-W490 HydrophobicContact CD2-CB 4.03Å; L426-W490 HydrophobicContact CD2-CE3 4.17Å; L426-L491 HydrophobicContact CB-CB 4.46Å; L426-L491 HydrophobicContact CB-CD1 3.88Å; L426-V494 HydrophobicContact CD1-CG2 4.09Å |
| 427 | Q | 92.1 | Very high | 89.5 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.1 | -171.8 | 63.3 | 56.3 | 0 | 0 | 111.8 | R423 K429 I430 D431 L491 | R423-Q427 WeakPolarHBondContact O-CB 3.41Å; R423-Q427 PolarHBondContact O-N 3.25Å; Q427-K429 VanDerWaalsContact C-N 3.28Å; Q427-K429 PolarHBondContact O-N 3.31Å; Q427-I430 WeakPolarHBondContact O-CB 3.47Å; Q427-I430 PolarHBondContact O-N 3.33Å; Q427-I430 VanDerWaalsContact O-N 3.15Å; Q427-D431 PolarHBondContact NE2-OD1 3.24Å; Q427-D431 PolarHBondContact O-N 3.46Å; Q427-L491 VanDerWaalsContact OE1-CD2 3.27Å |
| 428 | G | 90.4 | Very high | 90.1 | Very high | 29 Ų | 29 | 75.3 Ų | 75.3 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K424 K425 D431 D432 | K424-G428 PolarHBondContact O-N 2.74Å; K425-G428 PolarHBondContact O-N 3.02Å; G428-D431 PolarHBondContact O-N 3.4Å; G428-D432 PolarHBondContact O-N 3.18Å |
| 429 | K | 91 | Very high | 90.7 | Very high | 77 Ų | 77 | 76.6 Ų | 76.6 | 34% | 0.335 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 176.5 | -172.1 | 61.3 | 176.1 | 174.5 | 0 | 112.3 | K425 L426 Q427 L433 F487 | K425-K429 PolarHBondContact O-N 2.91Å; L426-K429 PolarHBondContact O-N 3.31Å; Q427-K429 VanDerWaalsContact C-N 3.28Å; Q427-K429 PolarHBondContact O-N 3.31Å; K429-L433 HydrophobicContact CG-CD1 4.32Å; K429-L433 WeakPolarHBondContact O-CB 3.37Å; K429-L433 VanDerWaalsContact O-CG 3.28Å; K429-L433 WeakPolarHBondContact O-CG 3.41Å; K429-L433 PolarHBondContact O-N 3.49Å; K429-F487 HydrophobicContact CB-CD1 4.42Å; K429-F487 HydrophobicContact CB-CE1 4.48Å; K429-F487 HydrophobicContact CD-CZ 4.5Å; K429-F487 HydrophobicContact CG-CD1 4.03Å; K429-F487 HydrophobicContact CG-CD2 4.07Å; K429-F487 HydrophobicContact CG-CE1 3.78Å; K429-F487 HydrophobicContact CG-CE2 3.85Å; K429-F487 HydrophobicContact CG-CG 4.19Å; K429-F487 HydrophobicContact CG-CZ 3.72Å |
| 430 | I | 94.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 173.2 | -69.2 | 162.5 | 0 | 0 | 0 | 110.4 | L426 Q427 D432 L433 N434 V484 F487 E488 L491 | L426-I430 WeakPolarHBondContact O-CG1 3.45Å; L426-I430 PolarHBondContact O-N 2.92Å; Q427-I430 WeakPolarHBondContact O-CB 3.47Å; Q427-I430 PolarHBondContact O-N 3.33Å; Q427-I430 VanDerWaalsContact O-N 3.15Å; I430-D432 PolarHBondContact O-N 3.08Å; I430-L433 PolarHBondContact O-N 3.42Å; I430-N434 WeakPolarHBondContact CG2-ND2 3.3Å; I430-N434 WeakPolarHBondContact O-CB 3.25Å; I430-N434 PolarHBondContact O-N 3.43Å; I430-N434 PolarHBondContact O-ND2 2.98Å; I430-N434 VanDerWaalsContact O-ND2 3.1Å; I430-V484 HydrophobicContact CG2-CG1 4.3Å; I430-F487 HydrophobicContact CD1-CB 4.16Å; I430-F487 HydrophobicContact CG1-CB 3.66Å; I430-E488 HydrophobicContact CD1-CG 3.91Å; I430-E488 HydrophobicContact CG1-CG 4.41Å; I430-L491 HydrophobicContact CD1-CB 4.29Å; I430-L491 HydrophobicContact CD1-CD2 3.89Å |
| 431 | D | 94.1 | Very high | 91.8 | Very high | 85 Ų | 85 | 71.8 Ų | 71.8 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 179.4 | -61.3 | -18.6 | 0 | 0 | 0 | 111.5 | Q427 G428 N434 K435 | Q427-D431 PolarHBondContact NE2-OD1 3.24Å; Q427-D431 PolarHBondContact O-N 3.46Å; G428-D431 PolarHBondContact O-N 3.4Å; D431-N434 PolarHBondContact O-N 3.26Å; D431-K435 PolarHBondContact O-N 2.89Å |
| 432 | D | 92.1 | Very high | 92.4 | Very high | 97 Ų | 97 | 70.6 Ų | 70.6 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.3 | -73.4 | -25.8 | 0 | 0 | 0 | 112 | G428 I430 N434 K435 D436 | G428-D432 PolarHBondContact O-N 3.18Å; I430-D432 PolarHBondContact O-N 3.08Å; D432-N434 VanDerWaalsContact C-N 3.34Å; D432-N434 PolarHBondContact O-N 3.49Å; D432-K435 WeakPolarHBondContact O-CB 2.94Å; D432-K435 PolarHBondContact O-N 3.43Å; D432-D436 PolarHBondContact O-N 3.42Å |
| 433 | L | 93.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 73.3 Ų | 73.3 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.4 | -74.1 | 169.1 | 0 | 0 | 0 | 111.7 | K429 I430 K435 D436 I437 L480 E483 V484 F487 | K429-L433 HydrophobicContact CG-CD1 4.32Å; K429-L433 WeakPolarHBondContact O-CB 3.37Å; K429-L433 VanDerWaalsContact O-CG 3.28Å; K429-L433 WeakPolarHBondContact O-CG 3.41Å; K429-L433 PolarHBondContact O-N 3.49Å; I430-L433 PolarHBondContact O-N 3.42Å; L433-K435 VanDerWaalsContact C-N 3.3Å; L433-K435 PolarHBondContact O-N 3.11Å; L433-D436 PolarHBondContact O-N 2.53Å; L433-I437 VanDerWaalsContact O-CG1 3.32Å; L433-I437 WeakPolarHBondContact O-CG1 3.31Å; L433-I437 PolarHBondContact O-N 3.01Å; L433-L480 HydrophobicContact CD2-CD2 3.83Å; L433-E483 HydrophobicContact CD1-CB 4.22Å; L433-E483 HydrophobicContact CD1-CG 3.84Å; L433-E483 HydrophobicContact CD2-CG 4.39Å; L433-V484 HydrophobicContact CB-CG2 3.51Å; L433-V484 HydrophobicContact CD1-CG2 4.13Å; L433-V484 HydrophobicContact CG-CG2 4.45Å; L433-F487 HydrophobicContact CD1-CD2 3.62Å; L433-F487 HydrophobicContact CD1-CE2 3.98Å |
| 434 | N | 94.5 | Very high | 92.9 | Very high | 70 Ų | 70 | 72.8 Ų | 72.8 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 174.6 | -80.8 | -41.5 | 0 | 0 | 0 | 112.3 | I430 D431 D432 D436 I437 H438 | I430-N434 WeakPolarHBondContact CG2-ND2 3.3Å; I430-N434 WeakPolarHBondContact O-CB 3.25Å; I430-N434 PolarHBondContact O-N 3.43Å; I430-N434 PolarHBondContact O-ND2 2.98Å; I430-N434 VanDerWaalsContact O-ND2 3.1Å; D431-N434 PolarHBondContact O-N 3.26Å; D432-N434 VanDerWaalsContact C-N 3.34Å; D432-N434 PolarHBondContact O-N 3.49Å; N434-D436 VanDerWaalsContact C-N 3.34Å; N434-I437 PolarHBondContact O-N 2.93Å; N434-H438 PolarHBondContact O-N 3.36Å |
| 435 | K | 95.7 | Very high | 93.2 | Very high | 133 Ų | 133 | 67.7 Ų | 67.7 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 173.8 | -172.8 | 179.7 | -178.3 | 178.1 | 0 | 111.6 | D431 D432 L433 H438 K439 | D431-K435 PolarHBondContact O-N 2.89Å; D432-K435 WeakPolarHBondContact O-CB 2.94Å; D432-K435 PolarHBondContact O-N 3.43Å; L433-K435 VanDerWaalsContact C-N 3.3Å; L433-K435 PolarHBondContact O-N 3.11Å; K435-H438 PolarHBondContact O-N 2.85Å; K435-K439 WeakPolarHBondContact O-CG 3.44Å; K435-K439 PolarHBondContact O-N 3.37Å; K435-K439 VanDerWaalsContact O-N 3.12Å |
| 436 | D | 90.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | 177.9 | -70.7 | -20.6 | 0 | 0 | 0 | 112.3 | D432 L433 N434 H438 K439 E440 L480 | D432-D436 PolarHBondContact O-N 3.42Å; L433-D436 PolarHBondContact O-N 2.53Å; N434-D436 VanDerWaalsContact C-N 3.34Å; D436-H438 VanDerWaalsContact C-N 3.29Å; D436-H438 PolarHBondContact O-N 2.68Å; D436-K439 PolarHBondContact O-N 3.45Å; D436-K439 IonicContact OD1-NZ 3.26Å; D436-K439 PolarHBondContact OD1-NZ 3.26Å; D436-E440 PolarHBondContact O-N 3.03Å; D436-L480 HydrophobicContact CB-CD1 4.38Å |
| 437 | I | 94.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 168.9 | -70.1 | 166.8 | 0 | 0 | 0 | 110.4 | L433 N434 K439 E440 M441 I477 L480 Q481 V484 | L433-I437 VanDerWaalsContact O-CG1 3.32Å; L433-I437 WeakPolarHBondContact O-CG1 3.31Å; L433-I437 PolarHBondContact O-N 3.01Å; N434-I437 PolarHBondContact O-N 2.93Å; I437-K439 PolarHBondContact O-N 2.99Å; I437-E440 PolarHBondContact O-N 3.36Å; I437-M441 HydrophobicContact CG2-CG 4.33Å; I437-M441 HydrophobicContact CG2-SD 3.97Å; I437-M441 WeakPolarHBondContact O-CB 3.34Å; I437-M441 VanDerWaalsContact O-CG 3.29Å; I437-M441 WeakPolarHBondContact O-CG 3.39Å; I437-M441 PolarHBondContact O-N 2.98Å; I437-I477 HydrophobicContact CG2-CG2 4.49Å; I437-L480 HydrophobicContact CD1-CB 4.01Å; I437-L480 HydrophobicContact CG1-CB 3.46Å; I437-L480 VanDerWaalsContact CG1-CB 3.46Å; I437-L480 HydrophobicContact CG1-CD1 4.13Å; I437-L480 HydrophobicContact CG1-CG 4.41Å; I437-Q481 HydrophobicContact CD1-CG 3.9Å; I437-V484 HydrophobicContact CD1-CG2 3.74Å |
| 438 | H | 94.6 | Very high | 93.7 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | -179.9 | -161.9 | 62.8 | 0 | 0 | 0 | 112.2 | N434 K435 D436 E440 M441 D442 | N434-H438 PolarHBondContact O-N 3.36Å; K435-H438 PolarHBondContact O-N 2.85Å; D436-H438 VanDerWaalsContact C-N 3.29Å; D436-H438 PolarHBondContact O-N 2.68Å; H438-E440 PolarHBondContact O-N 2.75Å; H438-M441 WeakPolarHBondContact O-CB 3.5Å; H438-M441 PolarHBondContact O-N 2.88Å; H438-D442 IonicContact CD2-OD2 3.06Å; H438-D442 PolarHBondContact O-N 2.68Å |
| 439 | K | 93.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 69.7 Ų | 69.7 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175 | -68.6 | 173 | -165.7 | 155.9 | 0 | 112.4 | K435 D436 I437 M441 D442 Q443 | K435-K439 WeakPolarHBondContact O-CG 3.44Å; K435-K439 PolarHBondContact O-N 3.37Å; K435-K439 VanDerWaalsContact O-N 3.12Å; D436-K439 PolarHBondContact O-N 3.45Å; D436-K439 IonicContact OD1-NZ 3.26Å; D436-K439 PolarHBondContact OD1-NZ 3.26Å; I437-K439 PolarHBondContact O-N 2.99Å; K439-M441 VanDerWaalsContact C-N 3.33Å; K439-D442 PolarHBondContact O-N 3.35Å; K439-Q443 WeakPolarHBondContact O-CG 3.26Å; K439-Q443 PolarHBondContact O-N 2.72Å |
| 440 | E | 93.4 | Very high | 93.8 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 177.8 | -70.8 | -60.6 | 124.3 | 0 | 0 | 111.4 | D436 I437 H438 Q443 R444 I473 I477 L480 | D436-E440 PolarHBondContact O-N 3.03Å; I437-E440 PolarHBondContact O-N 3.36Å; H438-E440 PolarHBondContact O-N 2.75Å; E440-Q443 PolarHBondContact O-N 3.3Å; E440-Q443 PolarHBondContact OE1-NE2 2.93Å; E440-Q443 VanDerWaalsContact OE1-NE2 3.08Å; E440-R444 WeakPolarHBondContact O-CB 3.44Å; E440-R444 PolarHBondContact O-N 3.16Å; E440-I473 HydrophobicContact CB-CG2 4.35Å; E440-I473 WeakPolarHBondContact O-CG2 3.39Å; E440-I477 HydrophobicContact CB-CD1 4.2Å; E440-I477 HydrophobicContact CB-CG1 3.66Å; E440-L480 HydrophobicContact CG-CD1 4.2Å |
| 441 | M | 94 | Very high | 93.7 | Very high | 63 Ų | 63 | 72.1 Ų | 72.1 | 31% | 0.31 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 171.7 | -73.5 | -178.5 | 65.6 | 0 | 0 | 112.2 | I437 H438 K439 Q443 R444 D445 I477 | I437-M441 HydrophobicContact CG2-CG 4.33Å; I437-M441 HydrophobicContact CG2-SD 3.97Å; I437-M441 WeakPolarHBondContact O-CB 3.34Å; I437-M441 VanDerWaalsContact O-CG 3.29Å; I437-M441 WeakPolarHBondContact O-CG 3.39Å; I437-M441 PolarHBondContact O-N 2.98Å; H438-M441 WeakPolarHBondContact O-CB 3.5Å; H438-M441 PolarHBondContact O-N 2.88Å; K439-M441 VanDerWaalsContact C-N 3.33Å; M441-Q443 PolarHBondContact O-N 2.99Å; M441-R444 WeakPolarHBondContact O-CB 3.14Å; M441-R444 PolarHBondContact O-N 2.87Å; M441-D445 WeakPolarHBondContact O-CB 3.32Å; M441-D445 VanDerWaalsContact O-CG 3.29Å; M441-D445 PolarHBondContact O-N 2.76Å; M441-I477 HydrophobicContact CG-CD1 3.94Å |
| 442 | D | 94.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 71.6 Ų | 71.6 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.1 | -74.1 | -22.5 | 0 | 0 | 0 | 111.8 | H438 K439 D445 A446 | H438-D442 IonicContact CD2-OD2 3.06Å; H438-D442 PolarHBondContact O-N 2.68Å; K439-D442 PolarHBondContact O-N 3.35Å; D442-D445 PolarHBondContact O-N 2.68Å; D442-A446 WeakPolarHBondContact O-CB 3.5Å; D442-A446 PolarHBondContact O-N 2.75Å |
| 443 | Q | 92.8 | Very high | 93.6 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.6 | -74.1 | -178.8 | 50.2 | 0 | 0 | 111.7 | K439 E440 M441 D445 A446 L447 I473 | K439-Q443 WeakPolarHBondContact O-CG 3.26Å; K439-Q443 PolarHBondContact O-N 2.72Å; E440-Q443 PolarHBondContact O-N 3.3Å; E440-Q443 PolarHBondContact OE1-NE2 2.93Å; E440-Q443 VanDerWaalsContact OE1-NE2 3.08Å; M441-Q443 PolarHBondContact O-N 2.99Å; Q443-D445 VanDerWaalsContact C-N 3.33Å; Q443-D445 PolarHBondContact O-N 2.87Å; Q443-A446 PolarHBondContact O-N 3.36Å; Q443-L447 WeakPolarHBondContact O-CB 3.42Å; Q443-L447 PolarHBondContact O-N 3.39Å; Q443-I473 HydrophobicContact CB-CD1 4.3Å |
| 444 | R | 96.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 72.7 Ų | 72.7 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 175.2 | -173.4 | -161.7 | 65.9 | -167.7 | -4 | 111.2 | E440 M441 L447 T448 L470 I473 | E440-R444 WeakPolarHBondContact O-CB 3.44Å; E440-R444 PolarHBondContact O-N 3.16Å; M441-R444 WeakPolarHBondContact O-CB 3.14Å; M441-R444 PolarHBondContact O-N 2.87Å; R444-L447 PolarHBondContact O-N 2.76Å; R444-T448 WeakPolarHBondContact O-CB 3.28Å; R444-T448 PolarHBondContact O-N 2.98Å; R444-T448 PolarHBondContact O-OG1 3.49Å; R444-L470 HydrophobicContact CG-CD2 3.99Å; R444-I473 HydrophobicContact CB-CG2 3.76Å; R444-I473 HydrophobicContact CG-CG2 4.4Å |
| 445 | D | 95.2 | Very high | 93.4 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | -177 | -71.9 | 1.7 | 0 | 0 | 0 | 111.4 | M441 D442 Q443 T448 K449 | M441-D445 WeakPolarHBondContact O-CB 3.32Å; M441-D445 VanDerWaalsContact O-CG 3.29Å; M441-D445 PolarHBondContact O-N 2.76Å; D442-D445 PolarHBondContact O-N 2.68Å; Q443-D445 VanDerWaalsContact C-N 3.33Å; Q443-D445 PolarHBondContact O-N 2.87Å; D445-T448 PolarHBondContact O-N 3.38Å; D445-K449 WeakPolarHBondContact O-CG 3.11Å; D445-K449 PolarHBondContact O-N 3.19Å |
| 446 | A | 93.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 75.5 Ų | 75.5 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D442 Q443 K449 M450 | D442-A446 WeakPolarHBondContact O-CB 3.5Å; D442-A446 PolarHBondContact O-N 2.75Å; Q443-A446 PolarHBondContact O-N 3.36Å; A446-K449 PolarHBondContact O-N 2.81Å; A446-M450 PolarHBondContact O-N 2.84Å |
| 447 | L | 93.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 76 Ų | 76 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.6 | -34.5 | -180 | -168.3 | 63.9 | 0 | 0 | 0 | 112.1 | Q443 R444 M450 K451 V466 R469 L470 I473 | Q443-L447 WeakPolarHBondContact O-CB 3.42Å; Q443-L447 PolarHBondContact O-N 3.39Å; R444-L447 PolarHBondContact O-N 2.76Å; L447-M450 HydrophobicContact CD1-SD 4.23Å; L447-M450 WeakPolarHBondContact O-CB 3.49Å; L447-M450 PolarHBondContact O-N 3.35Å; L447-K451 PolarHBondContact O-N 2.92Å; L447-V466 HydrophobicContact CD1-CG1 3.56Å; L447-V466 HydrophobicContact CD2-CG1 3.92Å; L447-V466 HydrophobicContact CG-CG1 3.39Å; L447-R469 HydrophobicContact CD2-CB 3.84Å; L447-R469 HydrophobicContact CD2-CG 3.71Å; L447-L470 HydrophobicContact CB-CD2 4.02Å; L447-L470 HydrophobicContact CD2-CD2 3.91Å; L447-L470 HydrophobicContact CD2-CG 3.87Å; L447-L470 HydrophobicContact CG-CD2 4.05Å; L447-L470 HydrophobicContact CG-CG 4.15Å; L447-I473 HydrophobicContact CD2-CD1 3.86Å |
| 448 | T | 94.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 80.3 Ų | 80.3 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 172.9 | -58.2 | 0 | 0 | 0 | 0 | 111 | R444 D445 M450 K451 D452 | R444-T448 WeakPolarHBondContact O-CB 3.28Å; R444-T448 PolarHBondContact O-N 2.98Å; R444-T448 PolarHBondContact O-OG1 3.49Å; D445-T448 PolarHBondContact O-N 3.38Å; T448-M450 VanDerWaalsContact C-N 3.31Å; T448-M450 PolarHBondContact O-N 2.82Å; T448-K451 WeakPolarHBondContact O-CB 3.28Å; T448-K451 PolarHBondContact O-N 3.39Å; T448-D452 PolarHBondContact O-N 2.98Å |
| 449 | K | 93.9 | Very high | 92.2 | Very high | 144 Ų | 144 | 82.6 Ų | 82.6 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | 173.3 | -71.1 | 169.6 | -174.6 | 170.7 | 0 | 112 | D445 A446 D452 V453 | D445-K449 WeakPolarHBondContact O-CG 3.11Å; D445-K449 PolarHBondContact O-N 3.19Å; A446-K449 PolarHBondContact O-N 2.81Å; K449-D452 PolarHBondContact O-N 3.21Å; K449-V453 WeakPolarHBondContact O-CG2 3.47Å; K449-V453 PolarHBondContact O-N 3.1Å; K449-V453 VanDerWaalsContact O-N 3.1Å |
| 450 | M | 90.3 | Very high | 91.6 | Very high | 86 Ų | 86 | 83.5 Ų | 83.5 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.4 | -170.5 | -172.8 | -62.5 | 0 | 0 | 111.5 | A446 L447 T448 D452 V453 Y454 | A446-M450 PolarHBondContact O-N 2.84Å; L447-M450 HydrophobicContact CD1-SD 4.23Å; L447-M450 WeakPolarHBondContact O-CB 3.49Å; L447-M450 PolarHBondContact O-N 3.35Å; T448-M450 VanDerWaalsContact C-N 3.31Å; T448-M450 PolarHBondContact O-N 2.82Å; M450-D452 VanDerWaalsContact C-N 3.33Å; M450-D452 PolarHBondContact O-N 3.39Å; M450-V453 WeakPolarHBondContact O-CB 3.33Å; M450-V453 PolarHBondContact O-N 3.04Å; M450-V453 VanDerWaalsContact O-N 3.15Å; M450-Y454 HydrophobicContact CG-CE1 4.49Å; M450-Y454 HydrophobicContact CG-CE2 4.36Å; M450-Y454 PolarHBondContact O-N 3.45Å; M450-Y454 VanDerWaalsContact O-N 3.08Å |
| 451 | K | 91.6 | Very high | 91.2 | Very high | 49 Ų | 49 | 82.9 Ų | 82.9 | 21% | 0.213 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 173.6 | -173.1 | -179.3 | 177.4 | -175.3 | 0 | 111.5 | L447 T448 V453 Y454 I455 P463 V466 D467 L470 | L447-K451 PolarHBondContact O-N 2.92Å; T448-K451 WeakPolarHBondContact O-CB 3.28Å; T448-K451 PolarHBondContact O-N 3.39Å; K451-V453 VanDerWaalsContact C-N 3.27Å; K451-V453 PolarHBondContact O-N 2.87Å; K451-Y454 PolarHBondContact O-N 3.23Å; K451-Y454 VanDerWaalsContact O-N 3.15Å; K451-I455 HydrophobicContact CG-CD1 4.18Å; K451-I455 WeakPolarHBondContact O-CG1 3.29Å; K451-I455 PolarHBondContact O-N 3.48Å; K451-P463 HydrophobicContact CG-CB 4.28Å; K451-V466 HydrophobicContact CB-CB 4.32Å; K451-V466 HydrophobicContact CB-CG1 4.1Å; K451-V466 HydrophobicContact CG-CB 4.45Å; K451-D467 VanDerWaalsContact CE-OD1 3.32Å; K451-D467 WeakPolarHBondContact CE-OD1 3.5Å; K451-D467 IonicContact NZ-OD1 3.3Å; K451-D467 PolarHBondContact NZ-OD1 2.79Å; K451-D467 IonicContact NZ-OD2 2.67Å; K451-L470 HydrophobicContact CD-CD1 3.88Å |
| 452 | D | 92.6 | Very high | 90.9 | Very high | 74 Ų | 74 | 84.1 Ų | 84.1 | 40% | 0.396 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 176.4 | -72.1 | -22 | 0 | 0 | 0 | 112.9 | T448 K449 M450 I455 K456 | T448-D452 PolarHBondContact O-N 2.98Å; K449-D452 PolarHBondContact O-N 3.21Å; M450-D452 VanDerWaalsContact C-N 3.33Å; M450-D452 PolarHBondContact O-N 3.39Å; D452-I455 PolarHBondContact O-N 3.34Å; D452-K456 WeakPolarHBondContact O-CB 3.49Å; D452-K456 WeakPolarHBondContact O-CG 3.34Å; D452-K456 PolarHBondContact O-N 2.89Å |
| 453 | V | 92.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 81.4 Ų | 81.4 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | K449 M450 K451 I455 K456 N457 | K449-V453 WeakPolarHBondContact O-CG2 3.47Å; K449-V453 PolarHBondContact O-N 3.1Å; K449-V453 VanDerWaalsContact O-N 3.1Å; M450-V453 WeakPolarHBondContact O-CB 3.33Å; M450-V453 PolarHBondContact O-N 3.04Å; M450-V453 VanDerWaalsContact O-N 3.15Å; K451-V453 VanDerWaalsContact C-N 3.27Å; K451-V453 PolarHBondContact O-N 2.87Å; V453-I455 VanDerWaalsContact C-N 3.33Å; V453-K456 PolarHBondContact O-N 3Å; V453-N457 WeakPolarHBondContact O-CB 3.34Å; V453-N457 PolarHBondContact O-N 3.48Å |
| 454 | Y | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 81.2 Ų | 81.2 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 175.1 | -67.1 | -12.6 | 0 | 0 | 0 | 112.1 | M450 K451 N457 M460 V466 | M450-Y454 HydrophobicContact CG-CE1 4.49Å; M450-Y454 HydrophobicContact CG-CE2 4.36Å; M450-Y454 PolarHBondContact O-N 3.45Å; M450-Y454 VanDerWaalsContact O-N 3.08Å; K451-Y454 PolarHBondContact O-N 3.23Å; K451-Y454 VanDerWaalsContact O-N 3.15Å; Y454-N457 CarbonylContact O-C 3.51Å; Y454-N457 PolarHBondContact O-N 3.34Å; Y454-M460 HydrophobicContact CD1-CB 4.11Å; Y454-M460 HydrophobicContact CE1-CB 4.26Å; Y454-M460 WeakPolarHBondContact CE1-O 3.38Å; Y454-V466 HydrophobicContact CD2-CG2 3.84Å; Y454-V466 HydrophobicContact CE2-CG2 3.83Å |
| 455 | I | 91 | Very high | 90 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 48% | 0.482 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177 | -68.5 | 169.1 | 0 | 0 | 0 | 110.6 | K451 D452 V453 P463 | K451-I455 HydrophobicContact CG-CD1 4.18Å; K451-I455 WeakPolarHBondContact O-CG1 3.29Å; K451-I455 PolarHBondContact O-N 3.48Å; D452-I455 PolarHBondContact O-N 3.34Å; V453-I455 VanDerWaalsContact C-N 3.33Å; I455-P463 HydrophobicContact CB-CG 4.4Å; I455-P463 HydrophobicContact CD1-CB 4.49Å; I455-P463 HydrophobicContact CG1-CB 3.66Å; I455-P463 HydrophobicContact CG1-CG 3.68Å |
| 456 | K | 91.6 | Very high | 89.8 | Confident | 167 Ų | 167 | 78.2 Ų | 78.2 | 73% | 0.726 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -76 | -23.1 | -179 | -71.5 | 173.5 | -177.7 | 172.3 | 0 | 113.1 | D452 V453 | D452-K456 WeakPolarHBondContact O-CB 3.49Å; D452-K456 WeakPolarHBondContact O-CG 3.34Å; D452-K456 PolarHBondContact O-N 2.89Å; V453-K456 PolarHBondContact O-N 3Å |
| 457 | N | 88.7 | Confident | 89.7 | Confident | 74 Ų | 74 | 78.2 Ų | 78.2 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | trans | -140.3 | 81.3 | -174.4 | -129 | 2 | 0 | 0 | 0 | 111.2 | V453 Y454 Q459 M460 | V453-N457 WeakPolarHBondContact O-CB 3.34Å; V453-N457 PolarHBondContact O-N 3.48Å; Y454-N457 CarbonylContact O-C 3.51Å; Y454-N457 PolarHBondContact O-N 3.34Å; N457-Q459 PolarHBondContact O-N 2.89Å; N457-M460 HydrophobicContact CB-CG 4.14Å; N457-M460 WeakPolarHBondContact O-CB 3.46Å; N457-M460 PolarHBondContact O-N 3.26Å | ||
| 458 | P | 85.3 | Confident | 89.6 | Confident | 104 Ų | 104 | 81.6 Ų | 81.6 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -59.7 | -17.5 | -171.2 | -27 | 35.6 | 0 | 0 | 0 | 115.9 | M460 | P458-M460 VanDerWaalsContact C-N 3.31Š|
| 459 | Q | 84.6 | Confident | 89.3 | Confident | 163 Ų | 163 | 86.6 Ų | 86.6 | 76% | 0.762 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -75.3 | -15.2 | 175.6 | 65.7 | -171.3 | 2.5 | 0 | 0 | 114.1 | N457 | N457-Q459 PolarHBondContact O-N 2.89Š|
| 460 | M | 80.8 | Confident | 89.2 | Confident | 118 Ų | 118 | 80.9 Ų | 80.9 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -92 | -11.5 | -176.1 | -68.8 | -70.4 | -70.2 | 0 | 0 | 113.4 | Y454 N457 P458 | Y454-M460 HydrophobicContact CD1-CB 4.11Å; Y454-M460 HydrophobicContact CE1-CB 4.26Å; Y454-M460 WeakPolarHBondContact CE1-O 3.38Å; N457-M460 HydrophobicContact CB-CG 4.14Å; N457-M460 WeakPolarHBondContact O-CB 3.46Å; N457-M460 PolarHBondContact O-N 3.26Å; P458-M460 VanDerWaalsContact C-N 3.31Å |
| 461 | G | 85.3 | Confident | 89.4 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | trans | 155.9 | 164.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | P463 | G461-P463 WeakPolarHBondContact O-CD 3.45Š| ||
| 462 | D | 86.6 | Confident | 89.4 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | trans | -86.8 | 118.4 | 175.6 | -178.9 | -8.1 | 0 | 0 | 0 | 110.1 | T464 S465 | D462-T464 PolarHBondContact O-N 3.01Å; D462-T464 WeakPolarHBondContact OD1-CB 3.41Å; D462-T464 PolarHBondContact OD1-N 3.44Å; D462-T464 PolarHBondContact OD1-OG1 3.2Å; D462-T464 PolarHBondContact OD2-OG1 3.02Å; D462-S465 WeakPolarHBondContact O-CB 3.29Å; D462-S465 PolarHBondContact O-N 3.41Å; D462-S465 VanDerWaalsContact O-N 3.16Å; D462-S465 PolarHBondContact O-OG 2.62Å | ||
| 463 | P | 87.3 | Confident | 89.4 | Confident | 30 Ų | 30 | 80.2 Ų | 80.2 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -55.6 | -32.2 | 177 | -25 | 33.5 | 0 | 0 | 0 | 114.6 | K451 I455 G461 S465 V466 | K451-P463 HydrophobicContact CG-CB 4.28Å; I455-P463 HydrophobicContact CB-CG 4.4Å; I455-P463 HydrophobicContact CD1-CB 4.49Å; I455-P463 HydrophobicContact CG1-CB 3.66Å; I455-P463 HydrophobicContact CG1-CG 3.68Å; G461-P463 WeakPolarHBondContact O-CD 3.45Å; P463-S465 VanDerWaalsContact C-N 3.27Å; P463-S465 PolarHBondContact O-N 2.93Å; P463-V466 PolarHBondContact O-N 2.88Å |
| 464 | T | 89.3 | Confident | 89.4 | Confident | 86 Ų | 86 | 79 Ų | 79 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -75.1 | -20.3 | -176 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | D462 V466 D467 | D462-T464 PolarHBondContact O-N 3.01Å; D462-T464 WeakPolarHBondContact OD1-CB 3.41Å; D462-T464 PolarHBondContact OD1-N 3.44Å; D462-T464 PolarHBondContact OD1-OG1 3.2Å; D462-T464 PolarHBondContact OD2-OG1 3.02Å; T464-V466 PolarHBondContact O-N 2.97Å; T464-D467 PolarHBondContact O-N 3.21Å |
| 465 | S | 89.4 | Confident | 89.4 | Confident | 75 Ų | 75 | 81.2 Ų | 81.2 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -65.9 | -18.7 | 174.6 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | D462 P463 | D462-S465 WeakPolarHBondContact O-CB 3.29Å; D462-S465 PolarHBondContact O-N 3.41Å; D462-S465 VanDerWaalsContact O-N 3.16Å; D462-S465 PolarHBondContact O-OG 2.62Å; P463-S465 VanDerWaalsContact C-N 3.27Å; P463-S465 PolarHBondContact O-N 2.93Å |
| 466 | V | 90.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -88.4 | -22.1 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | L447 K451 Y454 P463 T464 R469 L470 | L447-V466 HydrophobicContact CD1-CG1 3.56Å; L447-V466 HydrophobicContact CD2-CG1 3.92Å; L447-V466 HydrophobicContact CG-CG1 3.39Å; K451-V466 HydrophobicContact CB-CB 4.32Å; K451-V466 HydrophobicContact CB-CG1 4.1Å; K451-V466 HydrophobicContact CG-CB 4.45Å; Y454-V466 HydrophobicContact CD2-CG2 3.84Å; Y454-V466 HydrophobicContact CE2-CG2 3.83Å; P463-V466 PolarHBondContact O-N 2.88Å; T464-V466 PolarHBondContact O-N 2.97Å; V466-R469 PolarHBondContact O-N 2.7Å; V466-L470 HydrophobicContact CG1-CD1 3.98Å; V466-L470 HydrophobicContact CG1-CG 4.11Å; V466-L470 PolarHBondContact O-N 2.74Å; V466-L470 VanDerWaalsContact O-N 3.08Å |
| 467 | D | 91.1 | Very high | 89.5 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 31% | 0.305 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | -174.8 | -74.3 | -37.6 | 0 | 0 | 0 | 115.4 | K451 T464 R469 L470 T471 | K451-D467 VanDerWaalsContact CE-OD1 3.32Å; K451-D467 WeakPolarHBondContact CE-OD1 3.5Å; K451-D467 IonicContact NZ-OD1 3.3Å; K451-D467 PolarHBondContact NZ-OD1 2.79Å; K451-D467 IonicContact NZ-OD2 2.67Å; T464-D467 PolarHBondContact O-N 3.21Å; D467-R469 VanDerWaalsContact C-N 3.28Å; D467-R469 PolarHBondContact O-N 2.85Å; D467-L470 PolarHBondContact O-N 2.92Å; D467-T471 PolarHBondContact O-N 2.93Å; D467-T471 PolarHBondContact O-OG1 2.81Å |
| 468 | P | 91.4 | Very high | 89.8 | Confident | 89 Ų | 89 | 74.7 Ų | 74.7 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 176.8 | -24.5 | 34.9 | 0 | 0 | 0 | 112.1 | T471 E472 | P468-T471 PolarHBondContact O-N 2.93Å; P468-E472 PolarHBondContact O-N 2.79Å |
| 469 | R | 89.5 | Confident | 90.2 | Very high | 157 Ų | 157 | 76 Ų | 76 | 59% | 0.592 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75.2 | -34.3 | -177.7 | -166.9 | 172.8 | -173 | 172.2 | 2 | 112.3 | L447 V466 D467 T471 E472 I473 | L447-R469 HydrophobicContact CD2-CB 3.84Å; L447-R469 HydrophobicContact CD2-CG 3.71Å; V466-R469 PolarHBondContact O-N 2.7Å; D467-R469 VanDerWaalsContact C-N 3.28Å; D467-R469 PolarHBondContact O-N 2.85Å; R469-T471 VanDerWaalsContact C-N 3.33Å; R469-E472 PolarHBondContact O-N 2.83Å; R469-I473 HydrophobicContact CG-CD1 4.36Å; R469-I473 VanDerWaalsContact O-CG1 3.28Å; R469-I473 WeakPolarHBondContact O-CG1 3.38Å; R469-I473 PolarHBondContact O-N 3.41Å |
| 470 | L | 91.8 | Very high | 90.6 | Very high | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 169.8 | -77.5 | 170.6 | 0 | 0 | 0 | 112.1 | R444 L447 K451 V466 D467 A474 | R444-L470 HydrophobicContact CG-CD2 3.99Å; L447-L470 HydrophobicContact CB-CD2 4.02Å; L447-L470 HydrophobicContact CD2-CD2 3.91Å; L447-L470 HydrophobicContact CD2-CG 3.87Å; L447-L470 HydrophobicContact CG-CD2 4.05Å; L447-L470 HydrophobicContact CG-CG 4.15Å; K451-L470 HydrophobicContact CD-CD1 3.88Å; V466-L470 HydrophobicContact CG1-CD1 3.98Å; V466-L470 HydrophobicContact CG1-CG 4.11Å; V466-L470 PolarHBondContact O-N 2.74Å; V466-L470 VanDerWaalsContact O-N 3.08Å; D467-L470 PolarHBondContact O-N 2.92Å; L470-A474 WeakPolarHBondContact O-CB 3.48Å; L470-A474 PolarHBondContact O-N 2.85Å |
| 471 | T | 93.4 | Very high | 91.3 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | D467 P468 R469 A474 Q475 | D467-T471 PolarHBondContact O-N 2.93Å; D467-T471 PolarHBondContact O-OG1 2.81Å; P468-T471 PolarHBondContact O-N 2.93Å; R469-T471 VanDerWaalsContact C-N 3.33Å; T471-A474 PolarHBondContact O-N 2.9Å; T471-Q475 WeakPolarHBondContact O-CG 3.32Å; T471-Q475 PolarHBondContact O-N 2.78Å |
| 472 | E | 91.7 | Very high | 91.7 | Very high | 111 Ų | 111 | 70 Ų | 70 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 176 | -174.8 | -179 | -179.1 | 0 | 0 | 112 | P468 R469 A474 Q475 N476 | P468-E472 PolarHBondContact O-N 2.79Å; R469-E472 PolarHBondContact O-N 2.83Å; E472-A474 VanDerWaalsContact C-N 3.3Å; E472-A474 PolarHBondContact O-N 2.83Å; E472-Q475 PolarHBondContact O-N 3.09Å; E472-N476 VanDerWaalsContact O-CG 3.31Å; E472-N476 PolarHBondContact O-N 3.28Å |
| 473 | I | 92.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.2 | -66.2 | 166.3 | 0 | 0 | 0 | 110.7 | E440 Q443 R444 L447 R469 Q475 N476 I477 | E440-I473 HydrophobicContact CB-CG2 4.35Å; E440-I473 WeakPolarHBondContact O-CG2 3.39Å; Q443-I473 HydrophobicContact CB-CD1 4.3Å; R444-I473 HydrophobicContact CB-CG2 3.76Å; R444-I473 HydrophobicContact CG-CG2 4.4Å; L447-I473 HydrophobicContact CD2-CD1 3.86Å; R469-I473 HydrophobicContact CG-CD1 4.36Å; R469-I473 VanDerWaalsContact O-CG1 3.28Å; R469-I473 WeakPolarHBondContact O-CG1 3.38Å; R469-I473 PolarHBondContact O-N 3.41Å; I473-Q475 PolarHBondContact O-N 2.87Å; I473-N476 PolarHBondContact O-N 2.77Å; I473-I477 HydrophobicContact CG2-CD1 3.92Å; I473-I477 HydrophobicContact CG2-CG1 4.43Å; I473-I477 WeakPolarHBondContact O-CG1 3.4Å; I473-I477 PolarHBondContact O-N 3.11Å |
| 474 | A | 92.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L470 T471 E472 N476 I477 E478 | L470-A474 WeakPolarHBondContact O-CB 3.48Å; L470-A474 PolarHBondContact O-N 2.85Å; T471-A474 PolarHBondContact O-N 2.9Å; E472-A474 VanDerWaalsContact C-N 3.3Å; E472-A474 PolarHBondContact O-N 2.83Å; A474-N476 VanDerWaalsContact C-N 3.34Å; A474-I477 PolarHBondContact O-N 3.02Å; A474-E478 PolarHBondContact O-N 2.94Å |
| 475 | Q | 93.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 70.4 Ų | 70.4 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 175.5 | -71.9 | 175.8 | 2.5 | 0 | 0 | 112.4 | T471 E472 I473 E478 K479 | T471-Q475 WeakPolarHBondContact O-CG 3.32Å; T471-Q475 PolarHBondContact O-N 2.78Å; E472-Q475 PolarHBondContact O-N 3.09Å; I473-Q475 PolarHBondContact O-N 2.87Å; Q475-E478 PolarHBondContact O-N 3.1Å; Q475-K479 WeakPolarHBondContact O-CG 3.35Å; Q475-K479 PolarHBondContact O-N 2.78Å |
| 476 | N | 90.5 | Very high | 92.5 | Very high | 53 Ų | 53 | 71 Ų | 71 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 176.9 | -69.8 | -17.6 | 0 | 0 | 0 | 111.6 | E472 I473 A474 E478 K479 L480 | E472-N476 VanDerWaalsContact O-CG 3.31Å; E472-N476 PolarHBondContact O-N 3.28Å; I473-N476 PolarHBondContact O-N 2.77Å; A474-N476 VanDerWaalsContact C-N 3.34Å; N476-E478 VanDerWaalsContact C-N 3.34Å; N476-E478 PolarHBondContact O-N 3.1Å; N476-K479 PolarHBondContact O-N 3.01Å; N476-L480 WeakPolarHBondContact O-CG 2.97Å; N476-L480 PolarHBondContact O-N 3.46Å |
| 477 | I | 93.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 70.9 Ų | 70.9 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 173.4 | -68.5 | 166.7 | 0 | 0 | 0 | 110.6 | I437 E440 M441 I473 A474 K479 L480 Q481 | I437-I477 HydrophobicContact CG2-CG2 4.49Å; E440-I477 HydrophobicContact CB-CD1 4.2Å; E440-I477 HydrophobicContact CB-CG1 3.66Å; M441-I477 HydrophobicContact CG-CD1 3.94Å; I473-I477 HydrophobicContact CG2-CD1 3.92Å; I473-I477 HydrophobicContact CG2-CG1 4.43Å; I473-I477 WeakPolarHBondContact O-CG1 3.4Å; I473-I477 PolarHBondContact O-N 3.11Å; A474-I477 PolarHBondContact O-N 3.02Å; I477-K479 PolarHBondContact O-N 3.36Å; I477-L480 PolarHBondContact O-N 2.98Å; I477-Q481 HydrophobicContact CG2-CG 4.32Å; I477-Q481 WeakPolarHBondContact O-CB 3.41Å; I477-Q481 VanDerWaalsContact O-CG 3.27Å; I477-Q481 WeakPolarHBondContact O-CG 3.41Å; I477-Q481 PolarHBondContact O-N 3.07Å |
| 478 | E | 95.1 | Very high | 92.6 | Very high | 134 Ų | 134 | 72.7 Ų | 72.7 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 178.7 | -172.6 | 178.6 | -170.1 | 0 | 0 | 112.2 | A474 Q475 N476 Q481 A482 | A474-E478 PolarHBondContact O-N 2.94Å; Q475-E478 PolarHBondContact O-N 3.1Å; N476-E478 VanDerWaalsContact C-N 3.34Å; N476-E478 PolarHBondContact O-N 3.1Å; E478-Q481 PolarHBondContact O-N 3.45Å; E478-A482 WeakPolarHBondContact O-CB 3.44Å; E478-A482 PolarHBondContact O-N 2.96Å |
| 479 | K | 92.6 | Very high | 92.5 | Very high | 131 Ų | 131 | 70.2 Ų | 70.2 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.9 | -46.8 | 175.4 | -74.2 | 171.7 | -173.3 | 168.4 | 0 | 112.3 | Q475 N476 I477 Q481 A482 E483 | Q475-K479 WeakPolarHBondContact O-CG 3.35Å; Q475-K479 PolarHBondContact O-N 2.78Å; N476-K479 PolarHBondContact O-N 3.01Å; I477-K479 PolarHBondContact O-N 3.36Å; K479-Q481 VanDerWaalsContact C-N 3.32Å; K479-Q481 PolarHBondContact O-N 3.35Å; K479-A482 PolarHBondContact O-N 3.46Å; K479-E483 PolarHBondContact O-N 3.31Å |
| 480 | L | 93.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 178.3 | -70.6 | 168.8 | 0 | 0 | 0 | 111.2 | L433 D436 I437 E440 N476 I477 E483 V484 | L433-L480 HydrophobicContact CD2-CD2 3.83Å; D436-L480 HydrophobicContact CB-CD1 4.38Å; I437-L480 HydrophobicContact CD1-CB 4.01Å; I437-L480 HydrophobicContact CG1-CB 3.46Å; I437-L480 VanDerWaalsContact CG1-CB 3.46Å; I437-L480 HydrophobicContact CG1-CD1 4.13Å; I437-L480 HydrophobicContact CG1-CG 4.41Å; E440-L480 HydrophobicContact CG-CD1 4.2Å; N476-L480 WeakPolarHBondContact O-CG 2.97Å; N476-L480 PolarHBondContact O-N 3.46Å; I477-L480 PolarHBondContact O-N 2.98Å; L480-E483 PolarHBondContact O-N 3.46Å; L480-V484 WeakPolarHBondContact O-CG2 3.17Å; L480-V484 PolarHBondContact O-N 3.29Å |
| 481 | Q | 94.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 64.6 Ų | 64.6 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.5 | -75.5 | 175.9 | -14 | 0 | 0 | 112.5 | I437 I477 E478 K479 E483 V484 Q485 | I437-Q481 HydrophobicContact CD1-CG 3.9Å; I477-Q481 HydrophobicContact CG2-CG 4.32Å; I477-Q481 WeakPolarHBondContact O-CB 3.41Å; I477-Q481 VanDerWaalsContact O-CG 3.27Å; I477-Q481 WeakPolarHBondContact O-CG 3.41Å; I477-Q481 PolarHBondContact O-N 3.07Å; E478-Q481 PolarHBondContact O-N 3.45Å; K479-Q481 VanDerWaalsContact C-N 3.32Å; K479-Q481 PolarHBondContact O-N 3.35Å; Q481-E483 VanDerWaalsContact C-N 3.29Å; Q481-E483 PolarHBondContact O-N 3.21Å; Q481-V484 PolarHBondContact O-N 2.96Å; Q481-Q485 WeakPolarHBondContact O-CG 3.15Å; Q481-Q485 PolarHBondContact O-N 3.31Å |
| 482 | A | 93.9 | Very high | 92.3 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E478 K479 Q485 K486 | E478-A482 WeakPolarHBondContact O-CB 3.44Å; E478-A482 PolarHBondContact O-N 2.96Å; K479-A482 PolarHBondContact O-N 3.46Å; A482-Q485 PolarHBondContact O-N 3.04Å; A482-K486 PolarHBondContact O-N 3.29Å; A482-K486 VanDerWaalsContact O-N 3.1Å |
| 483 | E | 90.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.1 | -163.1 | 175.9 | 171.4 | 0 | 0 | 111.6 | L433 K479 L480 Q481 Q485 K486 F487 | L433-E483 HydrophobicContact CD1-CB 4.22Å; L433-E483 HydrophobicContact CD1-CG 3.84Å; L433-E483 HydrophobicContact CD2-CG 4.39Å; K479-E483 PolarHBondContact O-N 3.31Å; L480-E483 PolarHBondContact O-N 3.46Å; Q481-E483 VanDerWaalsContact C-N 3.29Å; Q481-E483 PolarHBondContact O-N 3.21Å; E483-Q485 PolarHBondContact O-N 2.96Å; E483-K486 WeakPolarHBondContact O-CB 3.19Å; E483-K486 PolarHBondContact O-N 3.35Å; E483-F487 HydrophobicContact CG-CD2 3.95Å; E483-F487 HydrophobicContact CG-CE2 3.68Å; E483-F487 WeakPolarHBondContact O-CD2 3.4Å; E483-F487 PolarHBondContact O-N 3.41Å |
| 484 | V | 94.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.1 | -49.5 | 171.7 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | I430 L433 I437 L480 Q481 K486 F487 E488 | I430-V484 HydrophobicContact CG2-CG1 4.3Å; L433-V484 HydrophobicContact CB-CG2 3.51Å; L433-V484 HydrophobicContact CD1-CG2 4.13Å; L433-V484 HydrophobicContact CG-CG2 4.45Å; I437-V484 HydrophobicContact CD1-CG2 3.74Å; L480-V484 WeakPolarHBondContact O-CG2 3.17Å; L480-V484 PolarHBondContact O-N 3.29Å; Q481-V484 PolarHBondContact O-N 2.96Å; V484-K486 VanDerWaalsContact C-N 3.26Å; V484-K486 PolarHBondContact O-N 3.01Å; V484-F487 PolarHBondContact O-N 3.48Å; V484-F487 VanDerWaalsContact O-N 3.08Å; V484-E488 HydrophobicContact CG1-CG 4.04Å; V484-E488 WeakPolarHBondContact O-CB 3.33Å; V484-E488 WeakPolarHBondContact O-CG 3.35Å; V484-E488 PolarHBondContact O-N 3.46Å |
| 485 | Q | 93.4 | Very high | 91.4 | Very high | 138 Ų | 138 | 65 Ų | 65 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.7 | -37.2 | 178.2 | -74.5 | -178.1 | 0.5 | 0 | 0 | 112.8 | Q481 A482 E483 G489 | Q481-Q485 WeakPolarHBondContact O-CG 3.15Å; Q481-Q485 PolarHBondContact O-N 3.31Å; A482-Q485 PolarHBondContact O-N 3.04Å; E483-Q485 PolarHBondContact O-N 2.96Å; Q485-G489 PolarHBondContact O-N 3.35Å |
| 486 | K | 92.8 | Very high | 90.7 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.5 | 175.6 | -177.4 | 164.8 | -166.8 | 0 | 111.2 | E412 A482 E483 V484 W490 | E412-K486 IonicContact OE2-NZ 3.55Å; E412-K486 PolarHBondContact OE2-NZ 2.93Å; A482-K486 PolarHBondContact O-N 3.29Å; A482-K486 VanDerWaalsContact O-N 3.1Å; E483-K486 WeakPolarHBondContact O-CB 3.19Å; E483-K486 PolarHBondContact O-N 3.35Å; V484-K486 VanDerWaalsContact C-N 3.26Å; V484-K486 PolarHBondContact O-N 3.01Å; K486-W490 HydrophobicContact CD-CH2 4.17Å; K486-W490 HydrophobicContact CD-CZ2 4.42Å; K486-W490 VanDerWaalsContact CE-CZ2 3.49Å; K486-W490 HydrophobicContact CG-CE3 4.49Å; K486-W490 HydrophobicContact CG-CH2 4.07Å; K486-W490 HydrophobicContact CG-CZ2 4.06Å; K486-W490 HydrophobicContact CG-CZ3 4.25Å; K486-W490 PolarHBondContact O-N 3.34Å |
| 487 | F | 90.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.9 | -36.3 | 177.6 | -77.3 | -74.7 | 0 | 0 | 0 | 113 | E412 F414 L426 K429 I430 L433 E483 V484 G489 W490 L491 | E412-F487 WeakPolarHBondContact O-CE1 3.46Å; F414-F487 HydrophobicContact CE2-CE1 4.16Å; L426-F487 HydrophobicContact CD2-CD1 3.66Å; L426-F487 HydrophobicContact CD2-CE1 4.28Å; K429-F487 HydrophobicContact CB-CD1 4.42Å; K429-F487 HydrophobicContact CB-CE1 4.48Å; K429-F487 HydrophobicContact CD-CZ 4.5Å; K429-F487 HydrophobicContact CG-CD1 4.03Å; K429-F487 HydrophobicContact CG-CD2 4.07Å; K429-F487 HydrophobicContact CG-CE1 3.78Å; K429-F487 HydrophobicContact CG-CE2 3.85Å; K429-F487 HydrophobicContact CG-CG 4.19Å; K429-F487 HydrophobicContact CG-CZ 3.72Å; I430-F487 HydrophobicContact CD1-CB 4.16Å; I430-F487 HydrophobicContact CG1-CB 3.66Å; L433-F487 HydrophobicContact CD1-CD2 3.62Å; L433-F487 HydrophobicContact CD1-CE2 3.98Å; E483-F487 HydrophobicContact CG-CD2 3.95Å; E483-F487 HydrophobicContact CG-CE2 3.68Å; E483-F487 WeakPolarHBondContact O-CD2 3.4Å; E483-F487 PolarHBondContact O-N 3.41Å; V484-F487 PolarHBondContact O-N 3.48Å; V484-F487 VanDerWaalsContact O-N 3.08Å; F487-G489 VanDerWaalsContact C-N 3.34Å; F487-W490 AromaticContact CD1-CE3 3.6Å; F487-W490 HydrophobicContact CD1-CE3 3.6Å; F487-W490 AromaticContact CD1-CZ3 3.81Å; F487-W490 HydrophobicContact CD1-CZ3 3.81Å; F487-W490 AromaticContact CE1-CE3 3.81Å; F487-W490 HydrophobicContact CE1-CE3 3.81Å; F487-W490 AromaticContact CE1-CZ3 3.54Å; F487-W490 HydrophobicContact CE1-CZ3 3.54Å; F487-W490 HydrophobicContact CG-CE3 4.28Å; F487-W490 HydrophobicContact CG-CZ3 4.5Å; F487-W490 HydrophobicContact CZ-CZ3 4.02Å; F487-W490 PolarHBondContact O-N 3.06Å; F487-L491 WeakPolarHBondContact O-CB 3.11Å; F487-L491 PolarHBondContact O-N 3.16Å |
| 488 | E | 91.6 | Very high | 88.3 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 172.9 | -74.9 | 179.1 | 153.3 | 0 | 0 | 111.7 | I430 V484 W490 L491 A492 | I430-E488 HydrophobicContact CD1-CG 3.91Å; I430-E488 HydrophobicContact CG1-CG 4.41Å; V484-E488 HydrophobicContact CG1-CG 4.04Å; V484-E488 WeakPolarHBondContact O-CB 3.33Å; V484-E488 WeakPolarHBondContact O-CG 3.35Å; V484-E488 PolarHBondContact O-N 3.46Å; E488-W490 VanDerWaalsContact C-N 3.34Å; E488-W490 PolarHBondContact O-N 2.65Å; E488-L491 WeakPolarHBondContact O-CB 3.49Å; E488-L491 PolarHBondContact O-N 3.33Å; E488-A492 WeakPolarHBondContact O-CB 3.37Å; E488-A492 PolarHBondContact O-N 2.93Å |
| 489 | G | 89.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 37% | 0.371 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q485 F487 A492 E493 | Q485-G489 PolarHBondContact O-N 3.35Å; F487-G489 VanDerWaalsContact C-N 3.34Å; G489-A492 PolarHBondContact O-N 2.82Å; G489-E493 PolarHBondContact O-N 2.8Å |
| 490 | W | 91.6 | Very high | 84 | Confident | 50 Ų | 50 | 74 Ų | 74 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.4 | -33.8 | 175.3 | -65.7 | -27.1 | 0 | 0 | 0 | 113.4 | E412 D413 L426 K486 F487 E488 V494 | E412-W490 HydrophobicContact CB-CH2 3.88Å; E412-W490 HydrophobicContact CB-CZ3 4.01Å; D413-W490 HydrophobicContact CB-CD2 3.64Å; D413-W490 HydrophobicContact CB-CE3 3.82Å; D413-W490 HydrophobicContact CB-CG 4.14Å; D413-W490 HydrophobicContact CB-CH2 3.92Å; D413-W490 HydrophobicContact CB-CZ2 3.82Å; D413-W490 HydrophobicContact CB-CZ3 3.96Å; L426-W490 HydrophobicContact CD1-CB 4.09Å; L426-W490 HydrophobicContact CD2-CB 4.03Å; L426-W490 HydrophobicContact CD2-CE3 4.17Å; K486-W490 HydrophobicContact CD-CH2 4.17Å; K486-W490 HydrophobicContact CD-CZ2 4.42Å; K486-W490 VanDerWaalsContact CE-CZ2 3.49Å; K486-W490 HydrophobicContact CG-CE3 4.49Å; K486-W490 HydrophobicContact CG-CH2 4.07Å; K486-W490 HydrophobicContact CG-CZ2 4.06Å; K486-W490 HydrophobicContact CG-CZ3 4.25Å; K486-W490 PolarHBondContact O-N 3.34Å; F487-W490 AromaticContact CD1-CE3 3.6Å; F487-W490 HydrophobicContact CD1-CE3 3.6Å; F487-W490 AromaticContact CD1-CZ3 3.81Å; F487-W490 HydrophobicContact CD1-CZ3 3.81Å; F487-W490 AromaticContact CE1-CE3 3.81Å; F487-W490 HydrophobicContact CE1-CE3 3.81Å; F487-W490 AromaticContact CE1-CZ3 3.54Å; F487-W490 HydrophobicContact CE1-CZ3 3.54Å; F487-W490 HydrophobicContact CG-CE3 4.28Å; F487-W490 HydrophobicContact CG-CZ3 4.5Å; F487-W490 HydrophobicContact CZ-CZ3 4.02Å; F487-W490 PolarHBondContact O-N 3.06Å; E488-W490 VanDerWaalsContact C-N 3.34Å; E488-W490 PolarHBondContact O-N 2.65Å; W490-V494 WeakPolarHBondContact O-CG2 3.24Å; W490-V494 PolarHBondContact O-N 2.84Å |
| 491 | L | 89.5 | Confident | 81.8 | Confident | 14 Ų | 14 | 82.8 Ų | 82.8 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 174.8 | -173.4 | 70.3 | 0 | 0 | 0 | 110.6 | R423 L426 Q427 I430 F487 E488 E493 V494 E495 | R423-L491 HydrophobicContact CB-CD1 4.27Å; R423-L491 HydrophobicContact CG-CD1 3.48Å; R423-L491 VanDerWaalsContact CG-CD1 3.48Å; L426-L491 HydrophobicContact CB-CB 4.46Å; L426-L491 HydrophobicContact CB-CD1 3.88Å; Q427-L491 VanDerWaalsContact OE1-CD2 3.27Å; I430-L491 HydrophobicContact CD1-CB 4.29Å; I430-L491 HydrophobicContact CD1-CD2 3.89Å; F487-L491 WeakPolarHBondContact O-CB 3.11Å; F487-L491 PolarHBondContact O-N 3.16Å; E488-L491 WeakPolarHBondContact O-CB 3.49Å; E488-L491 PolarHBondContact O-N 3.33Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-E493 PolarHBondContact O-N 3.06Å; L491-V494 WeakPolarHBondContact O-CB 3.26Å; L491-V494 PolarHBondContact O-N 2.94Å; L491-E495 WeakPolarHBondContact O-CG 3.32Å; L491-E495 PolarHBondContact O-N 3.37Å |
| 492 | A | 89.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E488 G489 V494 E495 E496 | E488-A492 WeakPolarHBondContact O-CB 3.37Å; E488-A492 PolarHBondContact O-N 2.93Å; G489-A492 PolarHBondContact O-N 2.82Å; A492-V494 VanDerWaalsContact C-N 3.25Å; A492-V494 PolarHBondContact O-N 3.35Å; A492-E495 PolarHBondContact O-N 2.99Å; A492-E496 PolarHBondContact O-N 3.39Å |
| 493 | E | 88.8 | Confident | 76.3 | Confident | 88 Ų | 88 | 86.5 Ų | 86.5 | 41% | 0.411 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -29.3 | 175.4 | -77.6 | -171.1 | -151.4 | 0 | 0 | 114.1 | G489 L491 R497 | G489-E493 PolarHBondContact O-N 2.8Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-E493 PolarHBondContact O-N 3.06Å; E493-R497 PolarHBondContact O-NH1 2.82Å; E493-R497 IonicContact OE2-NH1 4Å |
| 494 | V | 86.2 | Confident | 73.6 | Confident | 7 Ų | 7 | 88.9 Ų | 88.9 | 4% | 0.042 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -79.8 | -39.5 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | P419 R422 R423 L426 W490 L491 A492 R497 M498 | P419-V494 HydrophobicContact CB-CG1 4.28Å; P419-V494 WeakPolarHBondContact O-CG1 3.48Å; R422-V494 HydrophobicContact CG-CG2 3.97Å; R423-V494 HydrophobicContact CB-CG1 4.1Å; L426-V494 HydrophobicContact CD1-CG2 4.09Å; W490-V494 WeakPolarHBondContact O-CG2 3.24Å; W490-V494 PolarHBondContact O-N 2.84Å; L491-V494 WeakPolarHBondContact O-CB 3.26Å; L491-V494 PolarHBondContact O-N 2.94Å; A492-V494 VanDerWaalsContact C-N 3.25Å; A492-V494 PolarHBondContact O-N 3.35Å; V494-R497 PolarHBondContact O-N 2.88Å; V494-M498 VanDerWaalsContact O-CG 3.25Å; V494-M498 WeakPolarHBondContact O-CG 3.4Å; V494-M498 PolarHBondContact O-N 3.41Å |
| 495 | E | 83.6 | Confident | 70.8 | Confident | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 177.9 | -69.9 | -174.6 | 151.9 | 0 | 0 | 112.8 | L491 A492 R497 M498 | L491-E495 WeakPolarHBondContact O-CG 3.32Å; L491-E495 PolarHBondContact O-N 3.37Å; A492-E495 PolarHBondContact O-N 2.99Å; E495-R497 PolarHBondContact O-N 3.08Å; E495-M498 PolarHBondContact O-N 3.02Å |
| 496 | E | 77.6 | Confident | 68 | Low | 170 Ų | 170 | 102.5 Ų | 102.5 | 79% | 0.794 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.8 | 176.3 | -166.5 | -177.4 | 179.5 | 0 | 0 | 112.8 | A492 | A492-E496 PolarHBondContact O-N 3.39Š|
| 497 | R | 70.2 | Confident | 65 | Low | 183 Ų | 183 | 110 Ų | 110 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.9 | 180 | -72.4 | 179.2 | 168.7 | 109.5 | -6 | 113.8 | E493 V494 E495 | E493-R497 PolarHBondContact O-NH1 2.82Å; E493-R497 IonicContact OE2-NH1 4Å; V494-R497 PolarHBondContact O-N 2.88Å; E495-R497 PolarHBondContact O-N 3.08Å |
| 498 | M | 65.4 | Low | 62.2 | Low | 49 Ų | 49 | 115.3 Ų | 115.3 | 24% | 0.241 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -90.5 | 136.3 | 179.5 | -72.9 | -89.3 | -79.3 | 0 | 0 | 110.8 | P419 E420 V494 E495 S500 | P419-M498 HydrophobicContact CB-SD 3.8Å; E420-M498 HydrophobicContact CG-CE 3.5Å; E420-M498 HydrophobicContact CG-SD 4.19Å; V494-M498 VanDerWaalsContact O-CG 3.25Å; V494-M498 WeakPolarHBondContact O-CG 3.4Å; V494-M498 PolarHBondContact O-N 3.41Å; E495-M498 PolarHBondContact O-N 3.02Å; M498-S500 PolarHBondContact O-N 2.84Å |
| 499 | P | 50.4 | Low | 59.2 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121 | 173.3 | 24.8 | -29.8 | 0 | 0 | 0 | 110.2 | K501 | P499-K501 PolarHBondContact O-N 2.92Š|
| 500 | S | 46.8 | Very low | 56.3 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126.2 | 173.2 | 175 | 0 | 0 | 0 | 0 | 110.9 | M498 S502 | M498-S500 PolarHBondContact O-N 2.84Å; S500-S502 PolarHBondContact O-N 3.16Å; S500-S502 PolarHBondContact OG-OG 3.42Å; S500-S502 VanDerWaalsContact OG-OG 3.09Å |
| 501 | K | 47 | Very low | 53.3 | Low | 216 Ų | 216 | 126.3 Ų | 126.3 | 94% | 0.939 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -72.8 | 80.2 | 163.6 | -85.1 | -175.1 | 175.3 | 176.9 | 0 | 108.9 | P499 | P499-K501 PolarHBondContact O-N 2.92Š|
| 502 | S | 41.5 | Very low | 50.3 | Low | 81 Ų | 81 | 133.3 Ų | 133.3 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | trans | -151.7 | 79.9 | 163.8 | 61.7 | 0 | 0 | 0 | 0 | 109.8 | S500 | S500-S502 PolarHBondContact O-N 3.16Å; S500-S502 PolarHBondContact OG-OG 3.42Å; S500-S502 VanDerWaalsContact OG-OG 3.09Å | ||
| 503 | D | 30.4 | Very low | 47.4 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | trans | -178.2 | 102.9 | 140.9 | -106.4 | -32.1 | 0 | 0 | 0 | 111.4 | ||||
| 504 | S | 33.9 | Very low | 44.6 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -159.9 | 74.4 | 149.8 | -79.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 505 | H | 35.7 | Very low | 41.8 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -157.8 | 100.2 | 148.1 | -98 | 83.9 | 0 | 0 | 0 | 108.5 | ||||
| 506 | R | 34.8 | Very low | 39 | Very low | 251 Ų | 251 | 146.9 Ų | 146.9 | 95% | 0.947 | 75% | 0.752 | S | S | * | * | trans | -131.6 | 98.4 | 156.9 | -91.1 | -163.6 | 176.7 | -163.7 | 0.5 | 110.9 | ||||
| 507 | R | 29.9 | Very low | 36.6 | Very low | 245 Ų | 245 | 146.1 Ų | 146.1 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -168.9 | 116.7 | 142.2 | -153.4 | 171.1 | 176.2 | 177.6 | -2.2 | 103.9 | ||||
| 508 | S | 32 | Very low | 34.7 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | cis | -172.5 | 150.5 | 49.4 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 509 | G | 28.6 | Very low | 32.9 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | 91.3 | 98.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 510 | L | 29 | Very low | 31.8 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | 70.4 | 118.6 | 121 | -104.9 | 87.5 | 0 | 0 | 0 | 122.3 | |||||
| 511 | Y | 29.1 | Very low | 31.1 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 57.9 | 118.2 | 146.1 | 98.9 | -88.1 | 0 | 0 | 0 | 120.2 | ||||
| 512 | E | 26.7 | Very low | 30.4 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | 62.9 | 123.1 | 105.6 | -106.9 | 177.9 | 155.3 | 0 | 0 | 113.1 | |||||
| 513 | T | 28.1 | Very low | 29.9 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | cis | -168.1 | 144.3 | 41.8 | 18 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 514 | Q | 29.3 | Very low | 29.9 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 49.8 | 121.2 | 130.1 | -114.2 | 167.6 | 28.4 | 0 | 0 | 123.6 | ||||
| 515 | S | 27.3 | Very low | 29.9 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | 81 | 109.2 | 130.3 | 38.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 516 | N | 25.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | 67 | 141.3 | 119 | -75.9 | -11 | 0 | 0 | 0 | 124.4 | |||||
| 517 | I | 27.5 | Very low | 29.4 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 106.6 | 105.2 | 147.2 | -45.3 | -163.7 | 0 | 0 | 0 | 119 | ||||
| 518 | A | 29.1 | Very low | 29.2 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | 29.2 | 152.8 | 129.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 519 | V | 28.6 | Very low | 29.2 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 126.9 | 106.8 | 135.8 | -174.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 520 | S | 27.3 | Very low | 30.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 57.6 | 143.9 | 128.5 | -124.8 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 521 | N | 31 | Very low | 30 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | 95.1 | 110 | 138.7 | -84.2 | 19 | 0 | 0 | 0 | 123 | ||||
| 522 | N | 33.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | 54.3 | 121.2 | 115.7 | -72 | -6.6 | 0 | 0 | 0 | 123.6 | |||||
| 523 | C | 31.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 86% | 0.858 | 76% | 0.759 | S | S | * | * | 77.7 | 136.7 | 121.2 | -149.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 524 | A | 30 | Very low | 29.7 | Very low | 76 Ų | 76 | 135 Ų | 135 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | trans | 108.4 | 110.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 525 | Q | 32.7 | Very low | 29.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | 66.7 | 150.2 | 121.1 | -75.1 | -174.4 | -52 | 0 | 0 | 123.7 | |||||
| 526 | D | 28.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | trans | 77.2 | 144.6 | 152.3 | -82 | -34.2 | 0 | 0 | 0 | 116.9 | ||||
| 527 | R | 31.9 | Very low | 29.8 | Very low | 210 Ų | 210 | 135.2 Ų | 135.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | cis | -176.4 | 153 | -15.6 | -139.6 | -179.1 | -179.9 | 126.2 | -13.5 | 104.5 | ||||
| 528 | E | 27.6 | Very low | 29.8 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | 144.3 | 106.9 | 138.9 | -79.6 | -175.8 | 152.4 | 0 | 0 | 114.4 | ||||
| 529 | S | 30.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -67.7 | 172.7 | 142.3 | -84.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 530 | P | 48.2 | Very low | 29.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | cis | -140 | 172.2 | 34.1 | 25.2 | 1.6 | 0 | 0 | 0 | 114 | ||||
| 531 | D | 27.2 | Very low | 29.5 | Very low | 161 Ų | 161 | 141 Ų | 141 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | cis | 118.2 | 135.7 | 18.9 | -161.7 | 25.2 | 0 | 0 | 0 | 111.9 | ||||
| 532 | G | 26.4 | Very low | 29.3 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | 75.9 | 149.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 533 | S | 25 | Very low | 28.9 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | cis | 178.3 | 155.9 | 1.2 | -180 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 534 | Y | 24.8 | Very low | 28.7 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | 64.3 | 121.2 | 148.9 | -121.7 | -111.6 | 0 | 0 | 0 | 122.2 | ||||
| 535 | T | 31 | Very low | 28.5 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | 160.2 | 143.9 | 110.1 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 536 | E | 27.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -19 | 149.1 | 159.8 | -78.5 | 179.1 | 154.4 | 0 | 0 | 124.8 | ||||
| 537 | E | 27.1 | Very low | 27.9 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | 86.5 | 135.4 | 130 | -79 | -160.5 | 173.8 | 0 | 0 | 126.2 | |||||
| 538 | Q | 27.3 | Very low | 27.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 95.7 | 110.7 | 137.6 | -84.2 | 176.9 | 32.1 | 0 | 0 | 124 | ||||
| 539 | N | 24.7 | Very low | 27.8 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 58.8 | 127.9 | 125.6 | -84.4 | -13.1 | 0 | 0 | 0 | 123.1 | |||||
| 540 | T | 28.3 | Very low | 28 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | -158.1 | 132.4 | 116.8 | 15 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 541 | E | 25.6 | Very low | 27.1 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -56.8 | 159.8 | 173.5 | -69.4 | 168.6 | 107.1 | 0 | 0 | 112.7 | ||||
| 542 | T | 26 | Very low | 27.6 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | -174.8 | 121.7 | 77.4 | -53 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 543 | Q | 25.9 | Very low | 27.7 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 50.1 | 144.1 | 139.4 | -53.1 | 171.8 | 7.1 | 0 | 0 | 120.6 | ||||
| 544 | V | 27.8 | Very low | 28.5 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | cis | -154 | 144.7 | 43.5 | -156.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 545 | K | 25.6 | Very low | 28.7 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -62.9 | 153.2 | 176.1 | -75.7 | 166.3 | 165.2 | 170.7 | 0 | 115.6 | ||||
| 546 | A | 24 | Very low | 28.4 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | -145.7 | 122.3 | 122.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 547 | N | 23.5 | Very low | 28.7 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -114.6 | 142.2 | -177.2 | -162.1 | 51.9 | 0 | 0 | 0 | 107 | ||||
| 548 | I | 25.6 | Very low | 29 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -161.1 | 116.5 | 139.3 | -82.1 | 134.1 | 0 | 0 | 0 | 106.9 | ||||
| 549 | N | 31.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -125.6 | 151.9 | 145 | -111.2 | 2.1 | 0 | 0 | 0 | 105.4 | ||||
| 550 | P | 35.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | -147.8 | 134.6 | 104.1 | 33 | -14.5 | 0 | 0 | 0 | 114.5 | |||||
| 551 | T | 30.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -64.9 | 157.9 | 152.5 | 45.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 552 | P | 36.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | -151.7 | 155.2 | 100.8 | 37.2 | -19 | 0 | 0 | 0 | 117.5 | |||||
| 553 | N | 29.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | 87.2 | 158 | 139 | -103.5 | 8.6 | 0 | 0 | 0 | 122.3 | ||||
| 554 | P | 40.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | trans | -121.5 | -177.2 | -135.1 | 23.8 | 3.6 | 0 | 0 | 0 | 112.6 | ||||
| 555 | N | 29 | Very low | 31.2 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 79.7 | 106.9 | 175.4 | -65.8 | -13.7 | 0 | 0 | 0 | 117.2 | ||||
| 556 | T | 26.3 | Very low | 31.6 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -162.7 | 125.9 | 135.4 | 20.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 557 | I | 33.2 | Very low | 32.3 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -92.5 | 136.8 | 155.9 | -61.3 | 166 | 0 | 0 | 0 | 105.6 | ||||
| 558 | P | 33 | Very low | 33 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -139.8 | 144.2 | 114.7 | 21.8 | -0.8 | 0 | 0 | 0 | 114.5 | |||||
| 559 | T | 30 | Very low | 34 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -45.6 | 140.7 | 161.4 | -40.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 560 | T | 26.4 | Very low | 34.5 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -176.8 | 124 | 139.5 | 28.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 561 | M | 35.5 | Very low | 35.3 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -76.5 | 147.2 | 152.3 | -61.2 | -72.7 | -112 | 0 | 0 | 107.6 | ||||
| 562 | P | 37.6 | Very low | 36.8 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | -144.1 | 172.1 | 99.1 | 34.7 | -16.4 | 0 | 0 | 0 | 114.9 | |||||
| 563 | D | 30.3 | Very low | 38.2 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -49.7 | 163.1 | -173.9 | -65.7 | -52.9 | 0 | 0 | 0 | 119.4 | ||||
| 564 | D | 38.5 | Very low | 40.4 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 67.5 | 88.2 | 149.8 | -62.2 | -25.3 | 0 | 0 | 0 | 119.3 | ||||
| 565 | E | 33.1 | Very low | 42.3 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -137.2 | 110.9 | 143.2 | -72.8 | -166.8 | 172.9 | 0 | 0 | 110.6 | ||||
| 566 | E | 34.5 | Very low | 45 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | 49.8 | 123.6 | 136.3 | -65.7 | -178.8 | 164 | 0 | 0 | 120.8 | D568 | E566-D568 PolarHBondContact O-N 2.91Å; E566-D568 VanDerWaalsContact O-N 3.1Å | ||
| 567 | F | 38.3 | Very low | 48.1 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -64.1 | 93.6 | 166.2 | -164.8 | -89.6 | 0 | 0 | 0 | 108.9 | D569 | F567-D569 WeakPolarHBondContact CE1-OD1 3.48Š| ||
| 568 | D | 39.4 | Very low | 50.9 | Low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -88.1 | 114.7 | 163.1 | -97.7 | -23.7 | 0 | 0 | 0 | 108.8 | E566 D570 | E566-D568 PolarHBondContact O-N 2.91Å; E566-D568 VanDerWaalsContact O-N 3.1Å; D568-D570 PolarHBondContact O-N 3.17Å | ||
| 569 | D | 45.2 | Very low | 53.7 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | trans | -59.1 | 95.1 | 163.8 | -79.7 | -48.1 | 0 | 0 | 0 | 108.8 | F567 D571 | F567-D569 WeakPolarHBondContact CE1-OD1 3.48Å; D569-D571 PolarHBondContact O-N 2.83Å | ||
| 570 | D | 41 | Very low | 56.8 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 80% | 0.802 | 62% | 0.619 | S | S | * | * | trans | -73.2 | 79.4 | 161.4 | -82.2 | -34.7 | 0 | 0 | 0 | 108.8 | D568 E572 | D568-D570 PolarHBondContact O-N 3.17Å; D570-E572 PolarHBondContact O-N 3.36Å | ||
| 571 | D | 54.1 | Low | 60.1 | Low | 156 Ų | 156 | 113.7 Ų | 113.7 | 83% | 0.834 | 60% | 0.6 | S | S | * | * | trans | -65.8 | 68.4 | 151.5 | -95.3 | -37.1 | 0 | 0 | 0 | 108.1 | D569 P573 | D569-D571 PolarHBondContact O-N 2.83Å; D571-P573 VanDerWaalsContact O-CD 3.24Å; D571-P573 WeakPolarHBondContact O-CD 3.16Å | ||
| 572 | E | 61.5 | Low | 63 | Low | 167 Ų | 167 | 105 Ų | 105 | 78% | 0.78 | 56% | 0.558 | S | S | * | * | trans | -73.9 | 113.4 | 170.9 | -161.2 | 173.9 | -160 | 0 | 0 | 107.8 | D570 L574 | D570-E572 PolarHBondContact O-N 3.36Å; E572-L574 PolarHBondContact O-N 2.87Å | ||
| 573 | P | 65.9 | Low | 65.6 | Low | 66 Ų | 66 | 102.5 Ų | 102.5 | 43% | 0.429 | 54% | 0.538 | S | S | . | . | trans | -63.9 | 124.7 | -174.2 | 24 | -32.3 | 0 | 0 | 0 | 109.8 | D571 A575 | D571-P573 VanDerWaalsContact O-CD 3.24Å; D571-P573 WeakPolarHBondContact O-CD 3.16Å; P573-A575 PolarHBondContact O-N 2.85Å | ||
| 574 | L | 75.8 | Confident | 68.5 | Low | 75 Ų | 75 | 101.8 Ų | 101.8 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | trans | -42.8 | 133.1 | -178 | -70.9 | 171.4 | 0 | 0 | 0 | 111.9 | E572 I605 R617 | E572-L574 PolarHBondContact O-N 2.87Å; L574-I605 HydrophobicContact CB-CG2 3.63Å; L574-I605 HydrophobicContact CD1-CG2 3.9Å; L574-I605 HydrophobicContact CG-CG2 4.43Å; L574-R617 VanDerWaalsContact N-NH2 3.17Å; L574-R617 VanDerWaalsContact O-CZ 3.31Å; L574-R617 PolarHBondContact O-NH1 3.15Å; L574-R617 PolarHBondContact O-NH2 2.95Å | ||
| 575 | A | 80 | Confident | 71 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 69% | 0.694 | 51% | 0.511 | S | S | * | . | trans | -58.3 | 139.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P573 | P573-A575 PolarHBondContact O-N 2.85Š| ||
| 576 | T | 85.8 | Confident | 73.9 | Confident | 66 Ų | 66 | 91 Ų | 91 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | trans | -79.7 | 129.5 | 178.2 | 57 | 0 | 0 | 0 | 0 | 110.1 | Y603 V604 | T576-Y603 HydrophobicContact CG2-CD1 4.31Å; T576-Y603 HydrophobicContact CG2-CG 4.07Å; T576-V604 CarbonylContact C-O 3.52Å; T576-V604 WeakPolarHBondContact CA-O 3.41Å | ||
| 577 | I | 90.5 | Very high | 76.5 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | trans | -94.4 | -6.8 | -178.4 | 62.3 | 170.3 | 0 | 0 | 0 | 113.4 | V604 E607 L635 E636 | I577-V604 HydrophobicContact CD1-CG1 3.94Å; I577-V604 HydrophobicContact CG1-CB 4.17Å; I577-V604 HydrophobicContact CG1-CG1 3.78Å; I577-V604 WeakPolarHBondContact CG1-O 3.45Å; I577-V604 PolarHBondContact N-O 3.02Å; I577-E607 HydrophobicContact CD1-CB 4.17Å; I577-L635 HydrophobicContact CD1-CD2 4.19Å; I577-L635 HydrophobicContact CG1-CD2 4.14Å; I577-E636 PolarHBondContact O-N 3.24Å | ||
| 578 | G | 91.8 | Very high | 78.7 | Confident | 4 Ų | 4 | 81.6 Ų | 81.6 | 4% | 0.041 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -167 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V604 N634 | G578-V604 PolarHBondContact O-N 3.27Å; G578-N634 WeakPolarHBondContact CA-O 3.4Å |
| 579 | T | 93.6 | Very high | 80.2 | Confident | 53 Ų | 53 | 81.9 Ų | 81.9 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 154.4 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | L602 Y603 N634 | T579-L602 CarbonylContact C-O 3.54Å; T579-L602 WeakPolarHBondContact CA-O 3.35Å; T579-Y603 HydrophobicContact CG2-CD1 3.96Å; T579-Y603 HydrophobicContact CG2-CE1 4.13Å; T579-N634 PolarHBondContact N-O 3.28Å; T579-N634 PolarHBondContact O-N 3.22Å |
| 580 | C | 95.1 | Very high | 81.7 | Confident | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.3 | 172.1 | 67.8 | 0 | 0 | 0 | 0 | 112 | L601 L602 V604 I631 E632 V633 | C580-L601 WeakPolarHBondContact O-CA 3.46Å; C580-L602 PolarHBondContact N-O 2.96Å; C580-L602 PolarHBondContact O-N 3.2Å; C580-V604 HydrophobicContact CB-CG2 3.67Å; C580-I631 HydrophobicContact CB-CB 4.23Å; C580-I631 HydrophobicContact CB-CD1 4.02Å; C580-E632 CarbonylContact C-O 3.54Å; C580-E632 WeakPolarHBondContact CA-O 3.38Å; C580-E632 WeakPolarHBondContact CB-O 3.35Å; C580-V633 HydrophobicContact CB-CG2 4.1Å |
| 581 | K | 95.3 | Very high | 83.3 | Confident | 98 Ų | 98 | 84.2 Ų | 84.2 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.2 | 174.8 | -173.5 | 179.6 | 175.9 | -175.5 | 0 | 110.4 | L583 E600 L601 I631 E632 | K581-L583 PolarHBondContact O-N 2.94Å; K581-E600 CarbonylContact C-O 3.36Å; K581-E600 WeakPolarHBondContact CA-O 3.43Å; K581-L601 HydrophobicContact CB-CD2 3.76Å; K581-L601 HydrophobicContact CD-CD2 4.39Å; K581-L601 HydrophobicContact CG-CD2 3.95Å; K581-I631 CarbonylContact O-C 3.55Å; K581-I631 VanDerWaalsContact O-CA 3.29Å; K581-I631 WeakPolarHBondContact O-CA 3.46Å; K581-E632 PolarHBondContact N-O 3.5Å; K581-E632 PolarHBondContact O-N 2.97Å |
| 582 | A | 95 | Very high | 84.8 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.008 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 124.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | V596 A597 G599 E600 Y630 | A582-V596 HydrophobicContact CB-CB 4.25Å; A582-V596 HydrophobicContact CB-CG2 4.08Å; A582-A597 WeakPolarHBondContact CB-O 3.27Å; A582-G599 WeakPolarHBondContact O-CA 3.37Å; A582-G599 PolarHBondContact O-N 3.42Å; A582-E600 HydrophobicContact CB-CB 4.35Å; A582-E600 PolarHBondContact N-O 2.9Å; A582-Y630 CarbonylContact C-O 3.37Å |
| 583 | L | 92.2 | Very high | 86.1 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -88.2 | -24.9 | 176.7 | -63.8 | 177.1 | 0 | 0 | 0 | 112.2 | K581 E598 Y630 E632 | K581-L583 PolarHBondContact O-N 2.94Å; L583-E598 WeakPolarHBondContact O-CG 3.47Å; L583-Y630 PolarHBondContact N-O 3.03Å; L583-E632 HydrophobicContact CD1-CB 4.24Å; L583-E632 HydrophobicContact CD2-CB 4.01Å; L583-E632 HydrophobicContact CG-CB 4.14Å |
| 584 | Y | 91.9 | Very high | 87.4 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 51% | 0.51 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -142.5 | 152 | -178.9 | -59.8 | -67.4 | 0 | 0 | 0 | 109.9 | Y630 | Y584-Y630 HydrophobicContact CD2-CG 4.49Š|
| 585 | P | 91.9 | Very high | 88.2 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 51% | 0.506 | 38% | 0.376 | S | S | . | . | trans | -69.7 | 143 | 173.9 | 30.9 | -32.5 | 0 | 0 | 0 | 110.5 | V596 | P585-V596 CarbonylContact C-O 3.6Å; P585-V596 VanDerWaalsContact CA-O 3.28Å; P585-V596 WeakPolarHBondContact CA-O 3.49Å | ||
| 586 | F | 93.8 | Very high | 88.8 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -138.3 | 126.3 | 176.3 | 172.2 | -108.1 | 0 | 0 | 0 | 109.1 | T593 I594 A595 V596 W613 V626 P627 Y630 | F586-T593 HydrophobicContact CE1-CG2 4.45Å; F586-T593 HydrophobicContact CZ-CG2 4.28Å; F586-I594 VanDerWaalsContact CD1-O 3.28Å; F586-I594 WeakPolarHBondContact CD1-O 3.49Å; F586-A595 CarbonylContact O-C 3.45Å; F586-A595 WeakPolarHBondContact O-CA 3.3Å; F586-V596 HydrophobicContact CB-CG2 3.78Å; F586-V596 PolarHBondContact N-O 2.93Å; F586-V596 PolarHBondContact O-N 3.47Å; F586-W613 HydrophobicContact CE1-CZ3 4.46Å; F586-W613 HydrophobicContact CZ-CH2 4.14Å; F586-W613 AromaticContact CZ-CZ3 3.88Å; F586-W613 HydrophobicContact CZ-CZ3 3.88Å; F586-V626 HydrophobicContact CD1-CG1 4.15Å; F586-P627 HydrophobicContact CD2-CG 4.05Å; F586-P627 HydrophobicContact CE2-CG 3.91Å; F586-P627 HydrophobicContact CZ-CG 4.3Å; F586-Y630 HydrophobicContact CB-CD1 4.02Å; F586-Y630 HydrophobicContact CB-CE1 4.47Å |
| 587 | E | 88.2 | Confident | 89.1 | Confident | 147 Ų | 147 | 63.9 Ų | 63.9 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | trans | -91.1 | -7.8 | -168.3 | -68.9 | -179.3 | 163.2 | 0 | 0 | 114.5 | H589 A595 | E587-H589 IonicContact OE2-CE1 2.67Å; E587-H589 PolarHBondContact OE2-CE1 3.08Å; E587-H589 IonicContact OE2-NE2 2.57Å; E587-A595 WeakPolarHBondContact O-CB 3.49Å | ||
| 588 | G | 84.8 | Confident | 89.2 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | trans | 58.2 | 86.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T593 | G588-T593 VanDerWaalsContact C-OG1 3.31Å; G588-T593 VanDerWaalsContact CA-OG1 3.25Å; G588-T593 WeakPolarHBondContact CA-OG1 3.46Å | ||
| 589 | H | 71.7 | Confident | 89.1 | Confident | 149 Ų | 149 | 70 Ų | 70 | 69% | 0.69 | 38% | 0.384 | S | S | * | . | trans | -98 | -9.1 | -173.9 | -70 | 85 | 0 | 0 | 0 | 114.8 | E587 T593 | E587-H589 IonicContact OE2-CE1 2.67Å; E587-H589 PolarHBondContact OE2-CE1 3.08Å; E587-H589 IonicContact OE2-NE2 2.57Å; H589-T593 PolarHBondContact N-OG1 3.26Å | ||
| 590 | N | 76.4 | Confident | 89.2 | Confident | 116 Ų | 116 | 69.6 Ų | 69.6 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -118.3 | 150.6 | -173.4 | -63.3 | -19.3 | 0 | 0 | 0 | 110.7 | G592 T593 | N590-G592 PolarHBondContact O-N 3.47Å; N590-T593 HydrophobicContact CB-CG2 4.23Å; N590-T593 PolarHBondContact N-OG1 3.29Å; N590-T593 PolarHBondContact O-N 2.93Å; N590-T593 PolarHBondContact O-OG1 3.38Å |
| 591 | E | 74.7 | Confident | 89.1 | Confident | 208 Ų | 208 | 75.7 Ų | 75.7 | 97% | 0.972 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 124.8 | 172.8 | -166.8 | 172.9 | -174.8 | 0 | 0 | 109.8 | ||
| 592 | G | 84.7 | Confident | 89 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -1.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N590 G624 Y625 | N590-G592 PolarHBondContact O-N 3.47Å; G592-G624 CarbonylContact O-C 3.55Å; G592-G624 VanDerWaalsContact O-CA 3.26Å; G592-G624 WeakPolarHBondContact O-CA 3.17Å; G592-Y625 WeakPolarHBondContact O-CD2 3.47Å; G592-Y625 PolarHBondContact O-N 3.02Å |
| 593 | T | 89.7 | Confident | 89 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 19% | 0.19 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 145.5 | 172.2 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | F586 G588 H589 N590 W613 Y625 | F586-T593 HydrophobicContact CE1-CG2 4.45Å; F586-T593 HydrophobicContact CZ-CG2 4.28Å; G588-T593 VanDerWaalsContact C-OG1 3.31Å; G588-T593 VanDerWaalsContact CA-OG1 3.25Å; G588-T593 WeakPolarHBondContact CA-OG1 3.46Å; H589-T593 PolarHBondContact N-OG1 3.26Å; N590-T593 HydrophobicContact CB-CG2 4.23Å; N590-T593 PolarHBondContact N-OG1 3.29Å; N590-T593 PolarHBondContact O-N 2.93Å; N590-T593 PolarHBondContact O-OG1 3.38Å; T593-W613 HydrophobicContact CG2-CH2 4.48Å; T593-W613 HydrophobicContact CG2-CZ3 4.06Å; T593-Y625 WeakPolarHBondContact CA-O 3.38Å |
| 594 | I | 92.2 | Very high | 89 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | trans | -109.9 | 132.8 | 177.2 | -170.7 | 172.9 | 0 | 0 | 0 | 109.9 | F586 V596 V616 R618 E622 Y625 V626 | F586-I594 VanDerWaalsContact CD1-O 3.28Å; F586-I594 WeakPolarHBondContact CD1-O 3.49Å; I594-V596 HydrophobicContact CG2-CG1 4.3Å; I594-V616 HydrophobicContact CG2-CG2 3.64Å; I594-R618 HydrophobicContact CD1-CB 4Å; I594-E622 HydrophobicContact CD1-CB 4.44Å; I594-E622 HydrophobicContact CD1-CG 3.78Å; I594-E622 HydrophobicContact CG1-CG 4.41Å; I594-Y625 PolarHBondContact N-O 3.05Å; I594-V626 HydrophobicContact CG2-CG1 3.6Å | ||
| 595 | A | 92.3 | Very high | 89.1 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | trans | -74.1 | 135.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F586 E587 R618 | F586-A595 CarbonylContact O-C 3.45Å; F586-A595 WeakPolarHBondContact O-CA 3.3Å; E587-A595 WeakPolarHBondContact O-CB 3.49Å; A595-R618 PolarHBondContact O-NH2 3.27Å | ||
| 596 | V | 93.3 | Very high | 89 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -132.9 | 145.5 | -179.8 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | A582 P585 F586 I594 E600 L602 V626 | A582-V596 HydrophobicContact CB-CB 4.25Å; A582-V596 HydrophobicContact CB-CG2 4.08Å; P585-V596 CarbonylContact C-O 3.6Å; P585-V596 VanDerWaalsContact CA-O 3.28Å; P585-V596 WeakPolarHBondContact CA-O 3.49Å; F586-V596 HydrophobicContact CB-CG2 3.78Å; F586-V596 PolarHBondContact N-O 2.93Å; F586-V596 PolarHBondContact O-N 3.47Å; I594-V596 HydrophobicContact CG2-CG1 4.3Å; V596-E600 WeakPolarHBondContact CA-OE2 3.43Å; V596-L602 HydrophobicContact CB-CD1 4.25Å; V596-L602 HydrophobicContact CG1-CD1 3.42Å; V596-L602 VanDerWaalsContact CG1-CD1 3.42Å; V596-V626 HydrophobicContact CG1-CG1 3.8Å; V596-V626 HydrophobicContact CG2-CG1 4.13Å |
| 597 | A | 92.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | trans | -95.8 | 150.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A582 G599 E600 | A582-A597 WeakPolarHBondContact CB-O 3.27Å; A597-G599 PolarHBondContact O-N 3.46Å; A597-E600 PolarHBondContact N-OE2 3.43Å; A597-E600 WeakPolarHBondContact O-CB 3.3Å; A597-E600 PolarHBondContact O-N 2.93Å; A597-E600 VanDerWaalsContact O-N 3.09Å | ||
| 598 | E | 93.2 | Very high | 89 | Confident | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 128.9 | 173.7 | -178.1 | 176 | 167.4 | 0 | 0 | 111 | L583 | L583-E598 WeakPolarHBondContact O-CG 3.47Š|
| 599 | G | 89.6 | Confident | 89.1 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -2.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A582 A597 | A582-G599 WeakPolarHBondContact O-CA 3.37Å; A582-G599 PolarHBondContact O-N 3.42Å; A597-G599 PolarHBondContact O-N 3.46Å |
| 600 | E | 94.5 | Very high | 89.6 | Confident | 46 Ų | 46 | 70 Ų | 70 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | trans | -69 | 139.3 | 179.6 | -168.4 | 174.7 | 177.3 | 0 | 0 | 112.2 | K581 A582 V596 A597 R618 | K581-E600 CarbonylContact C-O 3.36Å; K581-E600 WeakPolarHBondContact CA-O 3.43Å; A582-E600 HydrophobicContact CB-CB 4.35Å; A582-E600 PolarHBondContact N-O 2.9Å; V596-E600 WeakPolarHBondContact CA-OE2 3.43Å; A597-E600 PolarHBondContact N-OE2 3.43Å; A597-E600 WeakPolarHBondContact O-CB 3.3Å; A597-E600 PolarHBondContact O-N 2.93Å; A597-E600 VanDerWaalsContact O-N 3.09Å; E600-R618 IonicContact OE1-CZ 3.6Å; E600-R618 VanDerWaalsContact OE1-CZ 3.22Å; E600-R618 IonicContact OE1-NE 2.6Å; E600-R618 PolarHBondContact OE1-NE 2.86Å; E600-R618 IonicContact OE1-NH2 2.76Å; E600-R618 PolarHBondContact OE1-NH2 3.19Å; E600-R618 IonicContact OE2-NH2 3.51Å; E600-R618 PolarHBondContact OE2-NH2 3.36Å | ||
| 601 | L | 93.3 | Very high | 90 | Very high | 130 Ų | 130 | 69.6 Ų | 69.6 | 68% | 0.681 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.3 | 178.9 | -68.4 | 173 | 0 | 0 | 0 | 110.5 | C580 K581 | C580-L601 WeakPolarHBondContact O-CA 3.46Å; K581-L601 HydrophobicContact CB-CD2 3.76Å; K581-L601 HydrophobicContact CD-CD2 4.39Å; K581-L601 HydrophobicContact CG-CD2 3.95Å |
| 602 | L | 93.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 161.7 | -175.4 | -59.8 | 151.5 | 0 | 0 | 0 | 110.1 | T579 C580 V596 V616 R618 | T579-L602 CarbonylContact C-O 3.54Å; T579-L602 WeakPolarHBondContact CA-O 3.35Å; C580-L602 PolarHBondContact N-O 2.96Å; C580-L602 PolarHBondContact O-N 3.2Å; V596-L602 HydrophobicContact CB-CD1 4.25Å; V596-L602 HydrophobicContact CG1-CD1 3.42Å; V596-L602 VanDerWaalsContact CG1-CD1 3.42Å; L602-V616 HydrophobicContact CB-CB 4.21Å; L602-V616 HydrophobicContact CD1-CG2 4.1Å; L602-R618 HydrophobicContact CD2-CB 3.68Å; L602-R618 HydrophobicContact CD2-CG 4.08Å |
| 603 | Y | 93.9 | Very high | 91.2 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 136 | 174.2 | -60.7 | -80.3 | 0 | 0 | 0 | 110.8 | T576 T579 V616 R617 | T576-Y603 HydrophobicContact CG2-CD1 4.31Å; T576-Y603 HydrophobicContact CG2-CG 4.07Å; T579-Y603 HydrophobicContact CG2-CD1 3.96Å; T579-Y603 HydrophobicContact CG2-CE1 4.13Å; Y603-V616 CarbonylContact O-C 3.48Å; Y603-V616 WeakPolarHBondContact O-CA 3.28Å; Y603-R617 PolarHBondContact N-O 3.47Å; Y603-R617 PolarHBondContact O-N 3.4Å |
| 604 | V | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.3 | 177 | -178 | 0 | 0 | 0 | 0 | 108.3 | T576 I577 G578 C580 T614 V633 L635 | T576-V604 CarbonylContact C-O 3.52Å; T576-V604 WeakPolarHBondContact CA-O 3.41Å; I577-V604 HydrophobicContact CD1-CG1 3.94Å; I577-V604 HydrophobicContact CG1-CB 4.17Å; I577-V604 HydrophobicContact CG1-CG1 3.78Å; I577-V604 WeakPolarHBondContact CG1-O 3.45Å; I577-V604 PolarHBondContact N-O 3.02Å; G578-V604 PolarHBondContact O-N 3.27Å; C580-V604 HydrophobicContact CB-CG2 3.67Å; V604-T614 HydrophobicContact CG1-CG2 3.84Å; V604-V633 HydrophobicContact CG2-CG1 4.18Å; V604-L635 HydrophobicContact CG1-CD2 4.42Å |
| 605 | I | 92.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -43.9 | 174.4 | -58.6 | 162.9 | 0 | 0 | 0 | 110 | L574 R615 R617 E623 | L574-I605 HydrophobicContact CB-CG2 3.63Å; L574-I605 HydrophobicContact CD1-CG2 3.9Å; L574-I605 HydrophobicContact CG-CG2 4.43Å; I605-R615 HydrophobicContact CB-CG 4.46Å; I605-R615 HydrophobicContact CD1-CG 4.34Å; I605-R615 PolarHBondContact N-O 3.07Å; I605-R617 HydrophobicContact CD1-CB 3.71Å; I605-R617 HydrophobicContact CD1-CG 4.5Å; I605-R617 HydrophobicContact CG1-CB 4.08Å; I605-E623 HydrophobicContact CD1-CB 4.45Å; I605-E623 HydrophobicContact CD1-CG 3.74Å; I605-E623 WeakPolarHBondContact CD1-OE2 3.43Å |
| 606 | E | 91.1 | Very high | 91.6 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.1 | -177.9 | -166.2 | 176.8 | -174.6 | 0 | 0 | 110.5 | K609 T614 R615 | E606-K609 WeakPolarHBondContact OE1-CE 3.5Å; E606-K609 IonicContact OE1-NZ 3.1Å; E606-K609 PolarHBondContact OE1-NZ 3.44Å; E606-T614 WeakPolarHBondContact O-CG2 3.33Å; E606-R615 HydrophobicContact CB-CB 3.86Å; E606-R615 PolarHBondContact N-O 2.92Å; E606-R615 PolarHBondContact O-N 3.44Å; E606-R615 VanDerWaalsContact O-N 3.16Å |
| 607 | E | 90.9 | Very high | 91.6 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | trans | -76.5 | 151.3 | 176.9 | -170 | 178.9 | -168.9 | 0 | 0 | 111.3 | I577 K609 | I577-E607 HydrophobicContact CD1-CB 4.17Å; E607-K609 PolarHBondContact O-N 3.32Å | ||
| 608 | D | 90.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | trans | -60.5 | 118.1 | 173.5 | 178.7 | 5.7 | 0 | 0 | 0 | 111.2 | G610 D611 G612 W613 T628 | D608-G610 VanDerWaalsContact C-N 3.26Å; D608-G610 PolarHBondContact O-N 3.35Å; D608-G610 VanDerWaalsContact OD1-CA 3.29Å; D608-G610 WeakPolarHBondContact OD1-CA 3.38Å; D608-G610 PolarHBondContact OD1-N 3.2Å; D608-D611 PolarHBondContact OD1-N 2.94Å; D608-D611 VanDerWaalsContact OD1-OD1 3.06Å; D608-G612 PolarHBondContact OD1-N 2.6Å; D608-G612 VanDerWaalsContact OD2-CA 3.29Å; D608-G612 WeakPolarHBondContact OD2-CA 3.49Å; D608-G612 PolarHBondContact OD2-N 3.13Å; D608-W613 WeakPolarHBondContact CA-O 3.32Å; D608-T628 HydrophobicContact CB-CG2 3.83Å; D608-T628 VanDerWaalsContact CB-OG1 3.3Å; D608-T628 WeakPolarHBondContact CB-OG1 3.49Å; D608-T628 PolarHBondContact OD2-OG1 3.07Å | ||
| 609 | K | 87.3 | Confident | 90.9 | Very high | 171 Ų | 171 | 62.2 Ų | 62.2 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | trans | -89.9 | 14.4 | 177.5 | -68.9 | 175 | -179.7 | 157 | 0 | 112.8 | E606 E607 | E606-K609 WeakPolarHBondContact OE1-CE 3.5Å; E606-K609 IonicContact OE1-NZ 3.1Å; E606-K609 PolarHBondContact OE1-NZ 3.44Å; E607-K609 PolarHBondContact O-N 3.32Å | ||
| 610 | G | 82.3 | Confident | 90.1 | Very high | 72 Ų | 72 | 68 Ų | 68 | 74% | 0.742 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 104.6 | 10.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D608 | D608-G610 VanDerWaalsContact C-N 3.26Å; D608-G610 PolarHBondContact O-N 3.35Å; D608-G610 VanDerWaalsContact OD1-CA 3.29Å; D608-G610 WeakPolarHBondContact OD1-CA 3.38Å; D608-G610 PolarHBondContact OD1-N 3.2Å |
| 611 | D | 85.2 | Confident | 89 | Confident | 109 Ų | 109 | 73.5 Ų | 73.5 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -93.7 | -8.5 | 174.3 | 67.3 | -20.6 | 0 | 0 | 0 | 112.8 | D608 W613 | D608-D611 PolarHBondContact OD1-N 2.94Å; D608-D611 VanDerWaalsContact OD1-OD1 3.06Å; D611-W613 PolarHBondContact OD1-N 2.98Å |
| 612 | G | 90.3 | Very high | 88.6 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 85.9 | 12.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D608 P627 T628 | D608-G612 PolarHBondContact OD1-N 2.6Å; D608-G612 VanDerWaalsContact OD2-CA 3.29Å; D608-G612 WeakPolarHBondContact OD2-CA 3.49Å; D608-G612 PolarHBondContact OD2-N 3.13Å; G612-P627 WeakPolarHBondContact O-CA 3.37Å; G612-T628 VanDerWaalsContact C-OG1 3.24Å; G612-T628 PolarHBondContact O-N 3.11Å; G612-T628 PolarHBondContact O-OG1 3.32Å |
| 613 | W | 94.3 | Very high | 88.4 | Confident | 93 Ų | 93 | 74 Ų | 74 | 35% | 0.352 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.2 | -179 | -64.4 | 90.7 | 0 | 0 | 0 | 111 | F586 T593 D608 D611 Y625 P627 T628 | F586-W613 HydrophobicContact CE1-CZ3 4.46Å; F586-W613 HydrophobicContact CZ-CH2 4.14Å; F586-W613 AromaticContact CZ-CZ3 3.88Å; F586-W613 HydrophobicContact CZ-CZ3 3.88Å; T593-W613 HydrophobicContact CG2-CH2 4.48Å; T593-W613 HydrophobicContact CG2-CZ3 4.06Å; D608-W613 WeakPolarHBondContact CA-O 3.32Å; D611-W613 PolarHBondContact OD1-N 2.98Å; W613-Y625 HydrophobicContact CB-CD1 4.04Å; W613-P627 HydrophobicContact CE3-CG 4.3Å; W613-P627 HydrophobicContact CH2-CG 4.05Å; W613-P627 HydrophobicContact CZ3-CG 3.78Å; W613-T628 VanDerWaalsContact C-OG1 3.27Å; W613-T628 PolarHBondContact N-OG1 3.33Å |
| 614 | T | 93.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.4 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 109 | V604 E606 V616 Y625 V626 T628 I631 | V604-T614 HydrophobicContact CG1-CG2 3.84Å; E606-T614 WeakPolarHBondContact O-CG2 3.33Å; T614-V616 HydrophobicContact CG2-CG1 3.99Å; T614-Y625 WeakPolarHBondContact O-CA 3.3Å; T614-V626 PolarHBondContact N-O 3.05Å; T614-V626 PolarHBondContact O-N 3.14Å; T614-T628 PolarHBondContact N-OG1 3.24Å; T614-T628 WeakPolarHBondContact OG1-CG2 3.5Å; T614-T628 PolarHBondContact OG1-OG1 2.94Å; T614-I631 HydrophobicContact CG2-CD1 3.71Å |
| 615 | R | 94.4 | Very high | 88.4 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.8 | 177.2 | -167.1 | 177.7 | 175.1 | 169.6 | -2.1 | 109.2 | I605 E606 E623 Y625 | I605-R615 HydrophobicContact CB-CG 4.46Å; I605-R615 HydrophobicContact CD1-CG 4.34Å; I605-R615 PolarHBondContact N-O 3.07Å; E606-R615 HydrophobicContact CB-CB 3.86Å; E606-R615 PolarHBondContact N-O 2.92Å; E606-R615 PolarHBondContact O-N 3.44Å; E606-R615 VanDerWaalsContact O-N 3.16Å; R615-E623 IonicContact CZ-OE2 3.93Å; R615-E623 IonicContact NE-OE2 2.81Å; R615-E623 PolarHBondContact NE-OE2 2.98Å; R615-E623 IonicContact NH2-OE2 3.74Å; R615-E623 PolarHBondContact NH2-OE2 3.41Å; R615-Y625 HydrophobicContact CB-CD1 4.01Å; R615-Y625 HydrophobicContact CB-CE1 3.65Å; R615-Y625 HydrophobicContact CG-CE1 4.15Å; R615-Y625 HydrophobicContact CG-CE2 4.41Å |
| 616 | V | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.2 | -175.3 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | I594 L602 Y603 T614 E623 G624 V626 I631 | I594-V616 HydrophobicContact CG2-CG2 3.64Å; L602-V616 HydrophobicContact CB-CB 4.21Å; L602-V616 HydrophobicContact CD1-CG2 4.1Å; Y603-V616 CarbonylContact O-C 3.48Å; Y603-V616 WeakPolarHBondContact O-CA 3.28Å; T614-V616 HydrophobicContact CG2-CG1 3.99Å; V616-E623 WeakPolarHBondContact O-CA 3.39Å; V616-G624 PolarHBondContact N-O 3.5Å; V616-G624 PolarHBondContact O-N 3.31Å; V616-V626 HydrophobicContact CB-CG2 4.49Å; V616-V626 HydrophobicContact CG1-CG2 3.81Å; V616-V626 HydrophobicContact CG2-CB 4.49Å; V616-V626 HydrophobicContact CG2-CG1 3.89Å; V616-V626 HydrophobicContact CG2-CG2 3.81Å; V616-I631 HydrophobicContact CG1-CD1 4.28Å |
| 617 | R | 93 | Very high | 88.7 | Confident | 19 Ų | 19 | 69 Ų | 69 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.5 | 178.5 | -171.5 | -178.5 | -68.4 | 143.3 | 2.2 | 109.6 | L574 Y603 I605 N619 E622 E623 | L574-R617 VanDerWaalsContact N-NH2 3.17Å; L574-R617 VanDerWaalsContact O-CZ 3.31Å; L574-R617 PolarHBondContact O-NH1 3.15Å; L574-R617 PolarHBondContact O-NH2 2.95Å; Y603-R617 PolarHBondContact N-O 3.47Å; Y603-R617 PolarHBondContact O-N 3.4Å; I605-R617 HydrophobicContact CD1-CB 3.71Å; I605-R617 HydrophobicContact CD1-CG 4.5Å; I605-R617 HydrophobicContact CG1-CB 4.08Å; R617-N619 WeakPolarHBondContact CD-O 3.42Å; R617-N619 WeakPolarHBondContact CG-O 3.46Å; R617-E622 WeakPolarHBondContact CA-O 3.47Å; R617-E623 HydrophobicContact CB-CG 4.03Å; R617-E623 HydrophobicContact CG-CG 3.77Å; R617-E623 IonicContact CZ-OE1 2.85Å; R617-E623 IonicContact NE-OE1 2.65Å; R617-E623 PolarHBondContact NE-OE1 3.29Å; R617-E623 IonicContact NH2-OE1 3.41Å; R617-E623 PolarHBondContact NH2-OE1 3.37Å |
| 618 | R | 90.1 | Very high | 88.8 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -50.9 | 170.8 | -175.3 | -173.8 | -75.4 | 135.6 | -2.2 | 110.8 | I594 A595 E600 L602 E622 | I594-R618 HydrophobicContact CD1-CB 4Å; A595-R618 PolarHBondContact O-NH2 3.27Å; E600-R618 IonicContact OE1-CZ 3.6Å; E600-R618 VanDerWaalsContact OE1-CZ 3.22Å; E600-R618 IonicContact OE1-NE 2.6Å; E600-R618 PolarHBondContact OE1-NE 2.86Å; E600-R618 IonicContact OE1-NH2 2.76Å; E600-R618 PolarHBondContact OE1-NH2 3.19Å; E600-R618 IonicContact OE2-NH2 3.51Å; E600-R618 PolarHBondContact OE2-NH2 3.36Å; L602-R618 HydrophobicContact CD2-CB 3.68Å; L602-R618 HydrophobicContact CD2-CG 4.08Å; R618-E622 HydrophobicContact CB-CB 4.48Å; R618-E622 WeakPolarHBondContact CD-OE2 3.37Å; R618-E622 IonicContact CZ-OE2 2.82Å; R618-E622 PolarHBondContact N-O 3.1Å; R618-E622 IonicContact NE-OE2 3.94Å; R618-E622 IonicContact NH1-OE1 2.7Å; R618-E622 PolarHBondContact NH1-OE1 2.98Å; R618-E622 IonicContact NH1-OE2 3.85Å; R618-E622 PolarHBondContact NH1-OE2 3.43Å |
| 619 | N | 80.9 | Confident | 89 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 57% | 0.572 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 177.6 | 179.9 | -69.6 | -30.2 | 0 | 0 | 0 | 110 | R617 D621 E622 | R617-N619 WeakPolarHBondContact CD-O 3.42Å; R617-N619 WeakPolarHBondContact CG-O 3.46Å; N619-D621 PolarHBondContact O-N 3.26Å; N619-E622 PolarHBondContact O-N 2.86Å |
| 620 | Q | 72.2 | Confident | 89.3 | Confident | 160 Ų | 160 | 63.6 Ų | 63.6 | 75% | 0.748 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.2 | -178.8 | -78.8 | 177.1 | -15.1 | 0 | 0 | 114.3 | ||
| 621 | D | 72 | Confident | 89.8 | Confident | 160 Ų | 160 | 60.6 Ų | 60.6 | 86% | 0.856 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -1.4 | -174.5 | -50.7 | -43 | 0 | 0 | 0 | 114.6 | N619 | N619-D621 PolarHBondContact O-N 3.26Š|
| 622 | E | 84.6 | Confident | 90.3 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 96.2 | -172.3 | -154.1 | -175.8 | -177.9 | 0 | 0 | 111.7 | I594 R617 R618 N619 | I594-E622 HydrophobicContact CD1-CB 4.44Å; I594-E622 HydrophobicContact CD1-CG 3.78Å; I594-E622 HydrophobicContact CG1-CG 4.41Å; R617-E622 WeakPolarHBondContact CA-O 3.47Å; R618-E622 HydrophobicContact CB-CB 4.48Å; R618-E622 WeakPolarHBondContact CD-OE2 3.37Å; R618-E622 IonicContact CZ-OE2 2.82Å; R618-E622 PolarHBondContact N-O 3.1Å; R618-E622 IonicContact NE-OE2 3.94Å; R618-E622 IonicContact NH1-OE1 2.7Å; R618-E622 PolarHBondContact NH1-OE1 2.98Å; R618-E622 IonicContact NH1-OE2 3.85Å; R618-E622 PolarHBondContact NH1-OE2 3.43Å; N619-E622 PolarHBondContact O-N 2.86Å |
| 623 | E | 91.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.7 | 177.5 | -66.6 | -176.8 | -169.7 | 0 | 0 | 111.6 | I605 R615 V616 R617 | I605-E623 HydrophobicContact CD1-CB 4.45Å; I605-E623 HydrophobicContact CD1-CG 3.74Å; I605-E623 WeakPolarHBondContact CD1-OE2 3.43Å; R615-E623 IonicContact CZ-OE2 3.93Å; R615-E623 IonicContact NE-OE2 2.81Å; R615-E623 PolarHBondContact NE-OE2 2.98Å; R615-E623 IonicContact NH2-OE2 3.74Å; R615-E623 PolarHBondContact NH2-OE2 3.41Å; V616-E623 WeakPolarHBondContact O-CA 3.39Å; R617-E623 HydrophobicContact CB-CG 4.03Å; R617-E623 HydrophobicContact CG-CG 3.77Å; R617-E623 IonicContact CZ-OE1 2.85Å; R617-E623 IonicContact NE-OE1 2.65Å; R617-E623 PolarHBondContact NE-OE1 3.29Å; R617-E623 IonicContact NH2-OE1 3.41Å; R617-E623 PolarHBondContact NH2-OE1 3.37Å |
| 624 | G | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -179.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | G592 V616 | G592-G624 CarbonylContact O-C 3.55Å; G592-G624 VanDerWaalsContact O-CA 3.26Å; G592-G624 WeakPolarHBondContact O-CA 3.17Å; V616-G624 PolarHBondContact N-O 3.5Å; V616-G624 PolarHBondContact O-N 3.31Å |
| 625 | Y | 94.6 | Very high | 89.7 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 30% | 0.302 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.6 | 178.6 | -69.2 | -87.7 | 0 | 0 | 0 | 111.6 | G592 T593 I594 W613 T614 R615 | G592-Y625 WeakPolarHBondContact O-CD2 3.47Å; G592-Y625 PolarHBondContact O-N 3.02Å; T593-Y625 WeakPolarHBondContact CA-O 3.38Å; I594-Y625 PolarHBondContact N-O 3.05Å; W613-Y625 HydrophobicContact CB-CD1 4.04Å; T614-Y625 WeakPolarHBondContact O-CA 3.3Å; R615-Y625 HydrophobicContact CB-CD1 4.01Å; R615-Y625 HydrophobicContact CB-CE1 3.65Å; R615-Y625 HydrophobicContact CG-CE1 4.15Å; R615-Y625 HydrophobicContact CG-CE2 4.41Å |
| 626 | V | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.1 | 169.6 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | F586 I594 V596 T614 V616 T628 I631 | F586-V626 HydrophobicContact CD1-CG1 4.15Å; I594-V626 HydrophobicContact CG2-CG1 3.6Å; V596-V626 HydrophobicContact CG1-CG1 3.8Å; V596-V626 HydrophobicContact CG2-CG1 4.13Å; T614-V626 PolarHBondContact N-O 3.05Å; T614-V626 PolarHBondContact O-N 3.14Å; V616-V626 HydrophobicContact CB-CG2 4.49Å; V616-V626 HydrophobicContact CG1-CG2 3.81Å; V616-V626 HydrophobicContact CG2-CB 4.49Å; V616-V626 HydrophobicContact CG2-CG1 3.89Å; V616-V626 HydrophobicContact CG2-CG2 3.81Å; V626-T628 PolarHBondContact O-N 3.04Å; V626-I631 HydrophobicContact CG2-CD1 3.87Å; V626-I631 HydrophobicContact CG2-CG1 4.44Å; V626-I631 HydrophobicContact CG2-CG2 3.76Å |
| 627 | P | 94.5 | Very high | 86.9 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 10% | 0.104 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 130.7 | 174.5 | -20.9 | 32.2 | 0 | 0 | 0 | 110.3 | F586 G612 W613 S629 Y630 | F586-P627 HydrophobicContact CD2-CG 4.05Å; F586-P627 HydrophobicContact CE2-CG 3.91Å; F586-P627 HydrophobicContact CZ-CG 4.3Å; G612-P627 WeakPolarHBondContact O-CA 3.37Å; W613-P627 HydrophobicContact CE3-CG 4.3Å; W613-P627 HydrophobicContact CH2-CG 4.05Å; W613-P627 HydrophobicContact CZ3-CG 3.78Å; P627-S629 PolarHBondContact O-N 3.47Å; P627-Y630 HydrophobicContact CB-CD2 3.78Å; P627-Y630 HydrophobicContact CB-CE2 4.45Å; P627-Y630 HydrophobicContact CB-CG 4.15Å; P627-Y630 HydrophobicContact CG-CD2 4.21Å; P627-Y630 HydrophobicContact CG-CG 4.29Å; P627-Y630 WeakPolarHBondContact O-CB 3.39Å; P627-Y630 PolarHBondContact O-N 2.94Å |
| 628 | T | 94.3 | Very high | 84.9 | Confident | 35 Ų | 35 | 83.3 Ų | 83.3 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -61.6 | -30.3 | -177.7 | -52.7 | 0 | 0 | 0 | 0 | 112 | D608 G612 W613 T614 V626 Y630 I631 | D608-T628 HydrophobicContact CB-CG2 3.83Å; D608-T628 VanDerWaalsContact CB-OG1 3.3Å; D608-T628 WeakPolarHBondContact CB-OG1 3.49Å; D608-T628 PolarHBondContact OD2-OG1 3.07Å; G612-T628 VanDerWaalsContact C-OG1 3.24Å; G612-T628 PolarHBondContact O-N 3.11Å; G612-T628 PolarHBondContact O-OG1 3.32Å; W613-T628 VanDerWaalsContact C-OG1 3.27Å; W613-T628 PolarHBondContact N-OG1 3.33Å; T614-T628 PolarHBondContact N-OG1 3.24Å; T614-T628 WeakPolarHBondContact OG1-CG2 3.5Å; T614-T628 PolarHBondContact OG1-OG1 2.94Å; V626-T628 PolarHBondContact O-N 3.04Å; T628-Y630 PolarHBondContact O-N 3.12Å; T628-I631 WeakPolarHBondContact O-CG1 3.44Å; T628-I631 PolarHBondContact O-N 2.92Å; T628-I631 VanDerWaalsContact O-O 3.13Å |
| 629 | S | 93.2 | Very high | 82.7 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -69.7 | -10.1 | 174.6 | 55.4 | 0 | 0 | 0 | 0 | 114.5 | P627 | P627-S629 PolarHBondContact O-N 3.47Š|
| 630 | Y | 94.3 | Very high | 80.8 | Confident | 90 Ų | 90 | 88.7 Ų | 88.7 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -98.9 | -1.7 | -179.2 | -81.5 | -128.7 | 0 | 0 | 0 | 112.6 | A582 L583 Y584 F586 P627 T628 | A582-Y630 CarbonylContact C-O 3.37Å; L583-Y630 PolarHBondContact N-O 3.03Å; Y584-Y630 HydrophobicContact CD2-CG 4.49Å; F586-Y630 HydrophobicContact CB-CD1 4.02Å; F586-Y630 HydrophobicContact CB-CE1 4.47Å; P627-Y630 HydrophobicContact CB-CD2 3.78Å; P627-Y630 HydrophobicContact CB-CE2 4.45Å; P627-Y630 HydrophobicContact CB-CG 4.15Å; P627-Y630 HydrophobicContact CG-CD2 4.21Å; P627-Y630 HydrophobicContact CG-CG 4.29Å; P627-Y630 WeakPolarHBondContact O-CB 3.39Å; P627-Y630 PolarHBondContact O-N 2.94Å; T628-Y630 PolarHBondContact O-N 3.12Å |
| 631 | I | 93.9 | Very high | 79.5 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 5% | 0.051 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.5 | -177.6 | 60.2 | 168.3 | 0 | 0 | 0 | 110.9 | C580 K581 T614 V616 V626 T628 V633 | C580-I631 HydrophobicContact CB-CB 4.23Å; C580-I631 HydrophobicContact CB-CD1 4.02Å; K581-I631 CarbonylContact O-C 3.55Å; K581-I631 VanDerWaalsContact O-CA 3.29Å; K581-I631 WeakPolarHBondContact O-CA 3.46Å; T614-I631 HydrophobicContact CG2-CD1 3.71Å; V616-I631 HydrophobicContact CG1-CD1 4.28Å; V626-I631 HydrophobicContact CG2-CD1 3.87Å; V626-I631 HydrophobicContact CG2-CG1 4.44Å; V626-I631 HydrophobicContact CG2-CG2 3.76Å; T628-I631 WeakPolarHBondContact O-CG1 3.44Å; T628-I631 PolarHBondContact O-N 2.92Å; T628-I631 VanDerWaalsContact O-O 3.13Å; I631-V633 HydrophobicContact CD1-CG2 3.66Å; I631-V633 HydrophobicContact CG1-CG2 4Å |
| 632 | E | 93.8 | Very high | 77.8 | Confident | 121 Ų | 121 | 85.8 Ų | 85.8 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.5 | 168.2 | -178.4 | 175.3 | -149 | 0 | 0 | 108 | C580 K581 L583 | C580-E632 CarbonylContact C-O 3.54Å; C580-E632 WeakPolarHBondContact CA-O 3.38Å; C580-E632 WeakPolarHBondContact CB-O 3.35Å; K581-E632 PolarHBondContact N-O 3.5Å; K581-E632 PolarHBondContact O-N 2.97Å; L583-E632 HydrophobicContact CD1-CB 4.24Å; L583-E632 HydrophobicContact CD2-CB 4.01Å; L583-E632 HydrophobicContact CG-CB 4.14Å |
| 633 | V | 91.1 | Very high | 75.5 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 32% | 0.321 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.2 | -173.3 | 178 | 0 | 0 | 0 | 0 | 110.7 | C580 V604 I631 L635 | C580-V633 HydrophobicContact CB-CG2 4.1Å; V604-V633 HydrophobicContact CG2-CG1 4.18Å; I631-V633 HydrophobicContact CD1-CG2 3.66Å; I631-V633 HydrophobicContact CG1-CG2 4Å; V633-L635 HydrophobicContact CG1-CD2 3.7Å; V633-L635 HydrophobicContact CG1-CG 3.83Å |
| 634 | N | 89 | Confident | 74.7 | Confident | 114 Ų | 114 | 98.5 Ų | 98.5 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 99.8 | 173.5 | -167.4 | 21.1 | 0 | 0 | 0 | 109.6 | G578 T579 | G578-N634 WeakPolarHBondContact CA-O 3.4Å; T579-N634 PolarHBondContact N-O 3.28Å; T579-N634 PolarHBondContact O-N 3.22Å |
| 635 | L | 86.8 | Confident | 73.8 | Confident | 64 Ų | 64 | 103.5 Ų | 103.5 | 34% | 0.335 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.7 | -178.8 | -60.4 | 175 | 0 | 0 | 0 | 110.8 | I577 V604 V633 | I577-L635 HydrophobicContact CD1-CD2 4.19Å; I577-L635 HydrophobicContact CG1-CD2 4.14Å; V604-L635 HydrophobicContact CG1-CD2 4.42Å; V633-L635 HydrophobicContact CG1-CD2 3.7Å; V633-L635 HydrophobicContact CG1-CG 3.83Å |
| 636 | E | 78.3 | Confident | 72.7 | Confident | 144 Ų | 144 | 105 Ų | 105 | 67% | 0.673 | 55% | 0.55 | S | S | * | * | trans | -78.2 | 131.7 | 174.3 | -67.7 | -166.8 | 165.7 | 0 | 0 | 110.5 | I577 N638 | I577-E636 PolarHBondContact O-N 3.24Å; E636-N638 PolarHBondContact O-N 2.64Å | ||
| 637 | P | 50.4 | Low | 71.4 | Confident | 135 Ų | 135 | 111.2 Ų | 111.2 | 88% | 0.877 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 30.1 | -170 | 27.4 | -33.5 | 0 | 0 | 0 | 115.8 | ||
| 638 | N | 50.8 | Low | 70 | Confident | 165 Ų | 165 | 117.1 Ų | 117.1 | 88% | 0.882 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.2 | 26.9 | 178.6 | -131 | 13.7 | 0 | 0 | 0 | 117.4 | E636 | E636-N638 PolarHBondContact O-N 2.64Š|
| 639 | A | 45.2 | Very low | 68.3 | Low | 66 Ų | 66 | 122.6 Ų | 122.6 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | trans | -106.9 | 36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 640 | K | 39.7 | Very low | 66.6 | Low | 216 Ų | 216 | 124.9 Ų | 124.9 | 94% | 0.939 | 64% | 0.64 | S | S | * | * | trans | -105 | 96.8 | 167.7 | -77.3 | -169.3 | 179.2 | -179.2 | 0 | 109.9 | ||||
| 641 | G | 46.7 | Very low | 64.4 | Low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | trans | 140.7 | 77.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 642 | Q | 35.3 | Very low | 62 | Low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | trans | -169.1 | 88.8 | 144.8 | -106.5 | 171 | 12.9 | 0 | 0 | 108.2 | ||||
| 643 | W | 36.7 | Very low | 59.1 | Low | 312 Ų | 312 | 138.9 Ų | 138.9 | 100% | 1.182 | 73% | 0.726 | S | S | * | * | trans | -143.2 | 0 | 155.3 | -72.9 | 100.3 | 0 | 0 | 0 | 107 |
Retrieved 643 of 643 residues in 1353.5 ms
(Link to these results)