| 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 | 79.1 | Confident | 95.2 | Very high | 208 Ų | 208 | 75.3 Ų | 75.3 | 100% | 1.025 | 37% | 0.37 | S | S | * | . | 0 | 147.2 | 0 | -68.8 | -174 | -71.1 | 0 | 0 | 108.2 | E6 | M1-E6 WeakPolarHBondContact CA-OE1 3.37Å; M1-E6 HydrophobicContact CB-CG 3.87Å; M1-E6 HydrophobicContact CG-CG 4.2Å | |||
| 2 | S | 95 | Very high | 95.4 | Very high | 32 Ų | 32 | 77.8 Ų | 77.8 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | trans | -136.7 | 133 | -175.9 | 171.5 | 0 | 0 | 0 | 0 | 109 | G4 T5 E6 | S2-G4 PolarHBondContact O-N 2.83Å; S2-G4 PolarHBondContact OG-N 3.46Å; S2-T5 PolarHBondContact O-N 3.29Å; S2-E6 WeakPolarHBondContact O-CG 3.36Å; S2-E6 PolarHBondContact O-N 3.01Å | ||
| 3 | W | 98.2 | Very high | 95.7 | Very high | 46 Ų | 46 | 78.2 Ų | 78.2 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.2 | -35.5 | 175.2 | -67.2 | 4.8 | 0 | 0 | 0 | 111.5 | T5 L7 L14 H17 T18 F211 L214 Q215 D218 | W3-T5 PolarHBondContact O-N 2.58Å; W3-T5 VanDerWaalsContact O-N 3.1Å; W3-L7 HydrophobicContact CB-CD1 4.16Å; W3-L7 HydrophobicContact CD2-CD1 4.5Å; W3-L7 HydrophobicContact CG-CD1 3.87Å; W3-L7 CarbonylContact O-C 3.55Å; W3-L7 WeakPolarHBondContact O-CA 3.41Å; W3-L7 WeakPolarHBondContact O-CB 3.46Å; W3-L7 PolarHBondContact O-N 3.28Å; W3-L7 VanDerWaalsContact O-N 3.15Å; W3-L14 HydrophobicContact CB-CD1 4.5Å; W3-L14 HydrophobicContact CD2-CD2 3.88Å; W3-L14 HydrophobicContact CE3-CD1 4.22Å; W3-L14 HydrophobicContact CE3-CD2 3.61Å; W3-L14 HydrophobicContact CE3-CG 4.49Å; W3-L14 HydrophobicContact CG-CD2 4.45Å; W3-L14 HydrophobicContact CH2-CD2 4.34Å; W3-L14 HydrophobicContact CZ3-CD2 3.86Å; W3-H17 AromaticContact CH2-CD2 3.6Å; W3-H17 AromaticContact CH2-NE2 3.83Å; W3-T18 HydrophobicContact CH2-CG2 4.43Å; W3-T18 HydrophobicContact CZ3-CG2 4.16Å; W3-F211 HydrophobicContact CB-CB 4.2Å; W3-L214 HydrophobicContact CE3-CB 4.27Å; W3-L214 HydrophobicContact CZ3-CB 4.18Å; W3-Q215 HydrophobicContact CB-CB 4.23Å; W3-Q215 HydrophobicContact CD2-CB 3.59Å; W3-Q215 HydrophobicContact CD2-CG 3.85Å; W3-Q215 HydrophobicContact CE3-CB 3.64Å; W3-Q215 HydrophobicContact CE3-CG 4.34Å; W3-Q215 HydrophobicContact CG-CB 3.85Å; W3-Q215 HydrophobicContact CG-CG 3.97Å; W3-Q215 HydrophobicContact CZ3-CB 4.29Å; W3-D218 HydrophobicContact CH2-CB 3.46Å; W3-D218 VanDerWaalsContact CH2-CB 3.46Å; W3-D218 VanDerWaalsContact CH2-CG 3.46Å; W3-D218 HydrophobicContact CZ2-CB 4.22Å; W3-D218 HydrophobicContact CZ3-CB 4.05Å |
| 4 | G | 95.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.8 | 0.9 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | S2 P208 | S2-G4 PolarHBondContact O-N 2.83Å; S2-G4 PolarHBondContact OG-N 3.46Å; G4-P208 VanDerWaalsContact O-CA 3.31Å; G4-P208 WeakPolarHBondContact O-CA 3.23Å; G4-P208 VanDerWaalsContact O-CB 3.31Å; G4-P208 WeakPolarHBondContact O-CB 3.15Å; G4-P208 WeakPolarHBondContact O-CG 3.49Å |
| 5 | T | 94.4 | Very high | 96.1 | Very high | 89 Ų | 89 | 69.9 Ų | 69.9 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -128.7 | -50.3 | 177.2 | -49.7 | 0 | 0 | 0 | 0 | 111 | S2 W3 | S2-T5 PolarHBondContact O-N 3.29Å; W3-T5 PolarHBondContact O-N 2.58Å; W3-T5 VanDerWaalsContact O-N 3.1Å |
| 6 | E | 97.6 | Very high | 96.2 | Very high | 105 Ų | 105 | 73.3 Ų | 73.3 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.7 | -22.6 | -177.3 | -35.3 | -52.6 | 159.4 | 0 | 0 | 113.1 | M1 S2 | M1-E6 WeakPolarHBondContact CA-OE1 3.37Å; M1-E6 HydrophobicContact CB-CG 3.87Å; M1-E6 HydrophobicContact CG-CG 4.2Å; S2-E6 WeakPolarHBondContact O-CG 3.36Å; S2-E6 PolarHBondContact O-N 3.01Å |
| 7 | L | 97.9 | Very high | 96.4 | Very high | 56 Ų | 56 | 73 Ų | 73 | 29% | 0.293 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 26.3 | -168.4 | -53.8 | 178.8 | 0 | 0 | 0 | 112.7 | W3 D9 Q10 L14 F211 | W3-L7 HydrophobicContact CB-CD1 4.16Å; W3-L7 HydrophobicContact CD2-CD1 4.5Å; W3-L7 HydrophobicContact CG-CD1 3.87Å; W3-L7 CarbonylContact O-C 3.55Å; W3-L7 WeakPolarHBondContact O-CA 3.41Å; W3-L7 WeakPolarHBondContact O-CB 3.46Å; W3-L7 PolarHBondContact O-N 3.28Å; W3-L7 VanDerWaalsContact O-N 3.15Å; L7-D9 PolarHBondContact O-N 3.04Å; L7-D9 VanDerWaalsContact O-N 3.09Å; L7-Q10 HydrophobicContact CB-CB 4.04Å; L7-Q10 HydrophobicContact CB-CG 4.01Å; L7-Q10 HydrophobicContact CD2-CG 4.11Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 PolarHBondContact O-N 2.95Å; L7-L14 HydrophobicContact CD1-CD2 3.99Å; L7-F211 VanDerWaalsContact O-CE2 3.22Å; L7-F211 WeakPolarHBondContact O-CE2 3.37Å |
| 8 | W | 96.9 | Very high | 96.5 | Very high | 132 Ų | 132 | 68.9 Ų | 68.9 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.5 | -170.4 | 66.3 | -89.7 | 0 | 0 | 0 | 115.3 | F203 I207 | W8-F203 AromaticContact CE3-CD1 3.58Å; W8-F203 HydrophobicContact CE3-CD1 3.58Å; W8-F203 AromaticContact CE3-CE1 3.45Å; W8-F203 HydrophobicContact CE3-CE1 3.45Å; W8-F203 VanDerWaalsContact CE3-CE1 3.45Å; W8-F203 HydrophobicContact CE3-CZ 4.38Å; W8-F203 AromaticContact CZ3-CD1 3.97Å; W8-F203 HydrophobicContact CZ3-CD1 3.97Å; W8-F203 AromaticContact CZ3-CE1 3.49Å; W8-F203 HydrophobicContact CZ3-CE1 3.49Å; W8-F203 VanDerWaalsContact CZ3-CE1 3.49Å; W8-F203 AromaticContact CZ3-CZ 4Å; W8-F203 HydrophobicContact CZ3-CZ 4Å; W8-I207 HydrophobicContact CB-CG2 4.44Å |
| 9 | D | 96.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 68.4 Ų | 68.4 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -11.7 | 177.1 | 65.2 | -26.9 | 0 | 0 | 0 | 113.4 | L7 F11 | L7-D9 PolarHBondContact O-N 3.04Å; L7-D9 VanDerWaalsContact O-N 3.09Å; D9-F11 PolarHBondContact O-N 3.24Å |
| 10 | Q | 98.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 72.2 Ų | 72.2 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | trans | -83.7 | 29.8 | -168.4 | -57.9 | -57.9 | -50.8 | 0 | 0 | 114.9 | L7 E12 N13 L14 | L7-Q10 HydrophobicContact CB-CB 4.04Å; L7-Q10 HydrophobicContact CB-CG 4.01Å; L7-Q10 HydrophobicContact CD2-CG 4.11Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 PolarHBondContact O-N 2.95Å; Q10-E12 VanDerWaalsContact C-N 3.35Å; Q10-E12 PolarHBondContact O-N 3.12Å; Q10-N13 HydrophobicContact CB-CB 4.37Å; Q10-N13 PolarHBondContact O-N 3.2Å; Q10-N13 PolarHBondContact OE1-ND2 3.24Å; Q10-L14 PolarHBondContact O-N 2.68Å | ||
| 11 | F | 97.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -49.4 | -51.3 | -172.6 | -173.6 | -84.2 | 0 | 0 | 0 | 113.1 | D9 N13 L14 D15 L115 R119 F211 | D9-F11 PolarHBondContact O-N 3.24Å; F11-N13 VanDerWaalsContact C-N 3.27Å; F11-N13 PolarHBondContact O-N 3.21Å; F11-L14 PolarHBondContact O-N 3.09Å; F11-D15 PolarHBondContact O-N 3.05Å; F11-L115 HydrophobicContact CE1-CD2 4.12Å; F11-L115 HydrophobicContact CE2-CD2 4.11Å; F11-L115 HydrophobicContact CZ-CB 4.26Å; F11-L115 HydrophobicContact CZ-CD2 3.57Å; F11-R119 HydrophobicContact CE1-CG 4.02Å; F11-R119 HydrophobicContact CZ-CG 3.79Å; F11-F211 HydrophobicContact CB-CZ 4.04Å; F11-F211 AromaticContact CD2-CE1 3.63Å; F11-F211 HydrophobicContact CD2-CE1 3.63Å; F11-F211 AromaticContact CD2-CZ 3.8Å; F11-F211 HydrophobicContact CD2-CZ 3.8Å; F11-F211 HydrophobicContact CE2-CE1 4.19Å; F11-F211 HydrophobicContact CG-CZ 4.39Å |
| 12 | E | 98.1 | Very high | 97.8 | Very high | 106 Ų | 106 | 59.1 Ų | 59.1 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -26.6 | -178.8 | -67.7 | -60.6 | 128.6 | 0 | 0 | 113.7 | Q10 K16 | Q10-E12 VanDerWaalsContact C-N 3.35Å; Q10-E12 PolarHBondContact O-N 3.12Å; E12-K16 VanDerWaalsContact O-CD 3.27Å; E12-K16 WeakPolarHBondContact O-CD 3.43Å; E12-K16 WeakPolarHBondContact O-CE 3.28Å; E12-K16 VanDerWaalsContact O-CG 3.22Å; E12-K16 WeakPolarHBondContact O-CG 3.48Å; E12-K16 PolarHBondContact O-N 2.98Å; E12-K16 VanDerWaalsContact O-N 3.16Å |
| 13 | N | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.1 | -32.7 | 177.8 | -68.1 | -27.8 | 0 | 0 | 0 | 111 | Q10 F11 H17 | Q10-N13 HydrophobicContact CB-CB 4.37Å; Q10-N13 PolarHBondContact O-N 3.2Å; Q10-N13 PolarHBondContact OE1-ND2 3.24Å; F11-N13 VanDerWaalsContact C-N 3.27Å; F11-N13 PolarHBondContact O-N 3.21Å; N13-H17 VanDerWaalsContact O-CB 3.24Å; N13-H17 WeakPolarHBondContact O-CB 3.38Å; N13-H17 PolarHBondContact O-N 3.21Å |
| 14 | L | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -36 | 169.1 | -64.3 | -177.3 | 0 | 0 | 0 | 112.2 | W3 L7 Q10 F11 T18 F211 | W3-L14 HydrophobicContact CB-CD1 4.5Å; W3-L14 HydrophobicContact CD2-CD2 3.88Å; W3-L14 HydrophobicContact CE3-CD1 4.22Å; W3-L14 HydrophobicContact CE3-CD2 3.61Å; W3-L14 HydrophobicContact CE3-CG 4.49Å; W3-L14 HydrophobicContact CG-CD2 4.45Å; W3-L14 HydrophobicContact CH2-CD2 4.34Å; W3-L14 HydrophobicContact CZ3-CD2 3.86Å; L7-L14 HydrophobicContact CD1-CD2 3.99Å; Q10-L14 PolarHBondContact O-N 2.68Å; F11-L14 PolarHBondContact O-N 3.09Å; L14-T18 WeakPolarHBondContact O-CB 3.47Å; L14-T18 VanDerWaalsContact O-CG2 3.29Å; L14-T18 WeakPolarHBondContact O-CG2 3.02Å; L14-T18 PolarHBondContact O-N 2.95Å; L14-T18 PolarHBondContact O-OG1 2.83Å; L14-F211 HydrophobicContact CD1-CB 4.28Å; L14-F211 HydrophobicContact CD1-CD1 3.85Å; L14-F211 HydrophobicContact CD1-CD2 3.61Å; L14-F211 HydrophobicContact CD1-CE1 4.01Å; L14-F211 HydrophobicContact CD1-CE2 3.79Å; L14-F211 HydrophobicContact CD1-CG 3.65Å; L14-F211 HydrophobicContact CD1-CZ 3.98Å |
| 15 | D | 98.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56 | -58.2 | 169.4 | -158.6 | -52.3 | 0 | 0 | 0 | 108.9 | F11 H17 T18 Q19 R111 L115 R119 | F11-D15 PolarHBondContact O-N 3.05Å; D15-H17 PolarHBondContact O-N 3.38Å; D15-T18 PolarHBondContact O-N 3Å; D15-T18 PolarHBondContact O-OG1 3.31Å; D15-T18 VanDerWaalsContact O-OG1 3.06Å; D15-Q19 PolarHBondContact O-N 3.14Å; D15-Q19 VanDerWaalsContact O-N 3.08Å; D15-R111 VanDerWaalsContact C-NH2 3.35Å; D15-R111 PolarHBondContact O-NH2 2.95Å; D15-R111 IonicContact OD1-CZ 2.78Å; D15-R111 IonicContact OD1-NH2 3.47Å; D15-R111 PolarHBondContact OD1-NH2 3.37Å; D15-L115 HydrophobicContact CB-CD2 4.16Å; D15-R119 IonicContact OD2-CZ 2.86Å; D15-R119 IonicContact OD2-NH2 3.17Å; D15-R119 PolarHBondContact OD2-NH2 2.97Å |
| 16 | K | 98.8 | Very high | 98.3 | Very high | 123 Ų | 123 | 60.2 Ų | 60.2 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 179.6 | -68.4 | 161.5 | -164.3 | 163.9 | 0 | 114.1 | E12 Q19 W20 | E12-K16 VanDerWaalsContact O-CD 3.27Å; E12-K16 WeakPolarHBondContact O-CD 3.43Å; E12-K16 WeakPolarHBondContact O-CE 3.28Å; E12-K16 VanDerWaalsContact O-CG 3.22Å; E12-K16 WeakPolarHBondContact O-CG 3.48Å; E12-K16 PolarHBondContact O-N 2.98Å; E12-K16 VanDerWaalsContact O-N 3.16Å; K16-Q19 PolarHBondContact O-N 3.19Å; K16-W20 WeakPolarHBondContact O-CB 3.27Å; K16-W20 PolarHBondContact O-N 2.91Å |
| 17 | H | 98.8 | Very high | 98.3 | Very high | 69 Ų | 69 | 63.2 Ų | 63.2 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | -179.8 | 172.4 | 82.1 | 0 | 0 | 0 | 112.1 | W3 N13 D15 Q19 W20 G21 D218 | W3-H17 AromaticContact CH2-CD2 3.6Å; W3-H17 AromaticContact CH2-NE2 3.83Å; N13-H17 VanDerWaalsContact O-CB 3.24Å; N13-H17 WeakPolarHBondContact O-CB 3.38Å; N13-H17 PolarHBondContact O-N 3.21Å; D15-H17 PolarHBondContact O-N 3.38Å; H17-Q19 VanDerWaalsContact C-N 3.27Å; H17-Q19 PolarHBondContact O-N 2.88Å; H17-W20 PolarHBondContact O-N 2.64Å; H17-G21 PolarHBondContact O-N 3.48Å; H17-D218 IonicContact CD2-OD1 2.81Å; H17-D218 PolarHBondContact CD2-OD1 3.33Å; H17-D218 VanDerWaalsContact CD2-OD1 3.25Å; H17-D218 IonicContact CD2-OD2 2.83Å; H17-D218 IonicContact CE1-OD2 3.3Å; H17-D218 VanDerWaalsContact NE2-CG 3.3Å; H17-D218 IonicContact NE2-OD1 2.61Å; H17-D218 PolarHBondContact NE2-OD1 3.28Å; H17-D218 VanDerWaalsContact NE2-OD1 3.17Å; H17-D218 IonicContact NE2-OD2 2.69Å; H17-D218 PolarHBondContact NE2-OD2 3.22Å |
| 18 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -28.2 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | W3 L14 D15 I22 R111 M217 | W3-T18 HydrophobicContact CH2-CG2 4.43Å; W3-T18 HydrophobicContact CZ3-CG2 4.16Å; L14-T18 WeakPolarHBondContact O-CB 3.47Å; L14-T18 VanDerWaalsContact O-CG2 3.29Å; L14-T18 WeakPolarHBondContact O-CG2 3.02Å; L14-T18 PolarHBondContact O-N 2.95Å; L14-T18 PolarHBondContact O-OG1 2.83Å; D15-T18 PolarHBondContact O-N 3Å; D15-T18 PolarHBondContact O-OG1 3.31Å; D15-T18 VanDerWaalsContact O-OG1 3.06Å; T18-I22 WeakPolarHBondContact O-CG1 3.49Å; T18-R111 PolarHBondContact OG1-NE 3.38Å; T18-M217 HydrophobicContact CG2-CE 3.78Å |
| 19 | Q | 98.7 | Very high | 98.4 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.4 | -52.3 | 171.4 | -172.6 | 56.7 | 50.6 | 0 | 0 | 111 | D15 K16 H17 G21 I22 D23 | D15-Q19 PolarHBondContact O-N 3.14Å; D15-Q19 VanDerWaalsContact O-N 3.08Å; K16-Q19 PolarHBondContact O-N 3.19Å; H17-Q19 VanDerWaalsContact C-N 3.27Å; H17-Q19 PolarHBondContact O-N 2.88Å; Q19-G21 PolarHBondContact O-N 3.36Å; Q19-I22 WeakPolarHBondContact O-CA 3.26Å; Q19-I22 WeakPolarHBondContact O-CB 3.35Å; Q19-I22 PolarHBondContact O-N 3.06Å; Q19-D23 PolarHBondContact NE2-OD1 3.48Å; Q19-D23 VanDerWaalsContact O-CG 3.24Å; Q19-D23 PolarHBondContact O-N 2.85Å |
| 20 | W | 98.7 | Very high | 98.5 | Very high | 144 Ų | 144 | 57.4 Ų | 57.4 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.9 | -40.8 | 179.2 | 168.1 | 86.1 | 0 | 0 | 0 | 112.5 | K16 H17 I22 D23 F24 | K16-W20 WeakPolarHBondContact O-CB 3.27Å; K16-W20 PolarHBondContact O-N 2.91Å; H17-W20 PolarHBondContact O-N 2.64Å; W20-I22 VanDerWaalsContact C-N 3.34Å; W20-I22 PolarHBondContact O-N 2.81Å; W20-D23 PolarHBondContact O-N 3.26Å; W20-F24 WeakPolarHBondContact O-CB 3.16Å; W20-F24 PolarHBondContact O-N 3.45Å |
| 21 | G | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H17 Q19 L25 R221 | H17-G21 PolarHBondContact O-N 3.48Å; Q19-G21 PolarHBondContact O-N 3.36Å; G21-L25 WeakPolarHBondContact O-CB 3.25Å; G21-L25 PolarHBondContact O-N 3.09Å; G21-L25 VanDerWaalsContact O-N 3.15Å; G21-R221 VanDerWaalsContact O-CD 3.31Å; G21-R221 WeakPolarHBondContact O-CD 3.28Å |
| 22 | I | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.7 | -44.2 | 170.9 | -68.3 | 173.7 | 0 | 0 | 0 | 110 | T18 Q19 W20 F24 L25 E26 L107 K108 R111 | T18-I22 WeakPolarHBondContact O-CG1 3.49Å; Q19-I22 WeakPolarHBondContact O-CA 3.26Å; Q19-I22 WeakPolarHBondContact O-CB 3.35Å; Q19-I22 PolarHBondContact O-N 3.06Å; W20-I22 VanDerWaalsContact C-N 3.34Å; W20-I22 PolarHBondContact O-N 2.81Å; I22-F24 PolarHBondContact O-N 3.5Å; I22-L25 WeakPolarHBondContact O-CB 3.45Å; I22-L25 PolarHBondContact O-N 3.41Å; I22-E26 PolarHBondContact O-N 3.21Å; I22-L107 HydrophobicContact CD1-CB 4.13Å; I22-L107 HydrophobicContact CG1-CB 4.4Å; I22-K108 HydrophobicContact CD1-CG 4.13Å; I22-K108 HydrophobicContact CG2-CD 4.29Å; I22-K108 VanDerWaalsContact CG2-CE 3.4Å; I22-K108 HydrophobicContact CG2-CG 3.94Å; I22-R111 HydrophobicContact CD1-CB 4.38Å |
| 23 | D | 98.5 | Very high | 98.6 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | 177.8 | -53.8 | -30.6 | 0 | 0 | 0 | 111.6 | Q19 W20 R27 | Q19-D23 PolarHBondContact NE2-OD1 3.48Å; Q19-D23 VanDerWaalsContact O-CG 3.24Å; Q19-D23 PolarHBondContact O-N 2.85Å; W20-D23 PolarHBondContact O-N 3.26Å; D23-R27 WeakPolarHBondContact O-CB 3.35Å; D23-R27 PolarHBondContact O-N 3.41Å |
| 24 | F | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 173.6 | -175.7 | -108.5 | 0 | 0 | 0 | 112.7 | W20 I22 R27 Y28 L225 Y229 | W20-F24 WeakPolarHBondContact O-CB 3.16Å; W20-F24 PolarHBondContact O-N 3.45Å; I22-F24 PolarHBondContact O-N 3.5Å; F24-R27 PolarHBondContact O-N 3.32Å; F24-Y28 PolarHBondContact O-N 3.07Å; F24-L225 HydrophobicContact CD1-CD2 3.89Å; F24-L225 HydrophobicContact CE1-CD2 3.82Å; F24-Y229 WeakPolarHBondContact CE1-OH 3.37Å |
| 25 | L | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.8 | -175.3 | 147.1 | 0 | 0 | 0 | 111.4 | G21 I22 Y28 A29 L100 Y103 L107 R221 | G21-L25 WeakPolarHBondContact O-CB 3.25Å; G21-L25 PolarHBondContact O-N 3.09Å; G21-L25 VanDerWaalsContact O-N 3.15Å; I22-L25 WeakPolarHBondContact O-CB 3.45Å; I22-L25 PolarHBondContact O-N 3.41Å; L25-Y28 PolarHBondContact O-N 3.33Å; L25-A29 PolarHBondContact O-N 3.08Å; L25-L100 HydrophobicContact CD1-CD2 4.15Å; L25-L100 HydrophobicContact CD2-CB 4.37Å; L25-L100 HydrophobicContact CD2-CD2 3.94Å; L25-L100 HydrophobicContact CG-CD2 3.84Å; L25-Y103 HydrophobicContact CD1-CD1 4.11Å; L25-Y103 HydrophobicContact CD1-CE1 4.29Å; L25-L107 HydrophobicContact CD1-CD1 4.31Å; L25-R221 HydrophobicContact CD1-CG 3.72Å |
| 26 | E | 98.3 | Very high | 98.6 | Very high | 47 Ų | 47 | 59 Ų | 59 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.9 | -33.4 | 176.2 | -66.9 | -169.8 | 146.5 | 0 | 0 | 112.7 | I22 Y28 A29 K30 S104 K108 | I22-E26 PolarHBondContact O-N 3.21Å; E26-Y28 VanDerWaalsContact C-N 3.33Å; E26-Y28 PolarHBondContact O-N 2.97Å; E26-A29 PolarHBondContact O-N 3.42Å; E26-K30 PolarHBondContact O-N 3.04Å; E26-S104 VanDerWaalsContact CG-OG 3.31Å; E26-S104 WeakPolarHBondContact CG-OG 3.38Å; E26-S104 PolarHBondContact OE1-OG 2.84Å; E26-K108 WeakPolarHBondContact OE1-CE 3.45Å; E26-K108 IonicContact OE1-NZ 3.21Å; E26-K108 PolarHBondContact OE1-NZ 2.95Å; E26-K108 WeakPolarHBondContact OE2-CE 3.35Å; E26-K108 IonicContact OE2-NZ 2.71Å; E26-K108 PolarHBondContact OE2-NZ 3.46Å |
| 27 | R | 98.6 | Very high | 98.6 | Very high | 169 Ų | 169 | 56.1 Ų | 56.1 | 64% | 0.638 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.4 | -41.8 | 169.3 | -171.7 | -176.5 | -57.4 | 179.1 | 2 | 111.8 | D23 F24 K30 F31 | D23-R27 WeakPolarHBondContact O-CB 3.35Å; D23-R27 PolarHBondContact O-N 3.41Å; F24-R27 PolarHBondContact O-N 3.32Å; R27-K30 PolarHBondContact O-N 2.87Å; R27-F31 PolarHBondContact O-N 3.04Å; R27-F31 VanDerWaalsContact O-N 3.08Å |
| 28 | Y | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 173.9 | 178.1 | -118.8 | 0 | 0 | 0 | 112 | F24 L25 E26 K30 F31 V32 V96 L100 L225 Y229 F232 | F24-Y28 PolarHBondContact O-N 3.07Å; L25-Y28 PolarHBondContact O-N 3.33Å; E26-Y28 VanDerWaalsContact C-N 3.33Å; E26-Y28 PolarHBondContact O-N 2.97Å; Y28-K30 VanDerWaalsContact C-N 3.32Å; Y28-K30 PolarHBondContact O-N 3.43Å; Y28-F31 AromaticContact CD2-CD1 3.86Å; Y28-F31 HydrophobicContact CD2-CD1 3.86Å; Y28-F31 AromaticContact CE2-CD1 3.73Å; Y28-F31 HydrophobicContact CE2-CD1 3.73Å; Y28-F31 HydrophobicContact CE2-CE1 4.07Å; Y28-F31 PolarHBondContact O-N 3.11Å; Y28-V32 HydrophobicContact CD1-CG2 4.38Å; Y28-V32 HydrophobicContact CD2-CG2 4.15Å; Y28-V32 HydrophobicContact CE1-CG2 3.87Å; Y28-V32 HydrophobicContact CE2-CG2 3.6Å; Y28-V32 HydrophobicContact CG-CG2 4.5Å; Y28-V32 VanDerWaalsContact CZ-CG2 3.42Å; Y28-V32 WeakPolarHBondContact O-CG2 3.32Å; Y28-V32 PolarHBondContact O-N 3.31Å; Y28-V96 HydrophobicContact CE1-CG1 4.08Å; Y28-L100 HydrophobicContact CD1-CD1 3.5Å; Y28-L100 HydrophobicContact CD1-CD2 4.43Å; Y28-L100 HydrophobicContact CE1-CD1 3.66Å; Y28-L225 HydrophobicContact CD1-CD1 3.56Å; Y28-L225 HydrophobicContact CE1-CD1 4.24Å; Y28-L225 HydrophobicContact CG-CD1 4.2Å; Y28-Y229 HydrophobicContact CD1-CD1 4.09Å; Y28-Y229 AromaticContact CD1-CE1 3.66Å; Y28-Y229 HydrophobicContact CD1-CE1 3.66Å; Y28-Y229 HydrophobicContact CD2-CD1 4.43Å; Y28-Y229 AromaticContact CD2-CE1 3.79Å; Y28-Y229 HydrophobicContact CD2-CE1 3.79Å; Y28-Y229 AromaticContact CE1-CD1 3.51Å; Y28-Y229 HydrophobicContact CE1-CD1 3.51Å; Y28-Y229 AromaticContact CE1-CE1 3.58Å; Y28-Y229 HydrophobicContact CE1-CE1 3.58Å; Y28-Y229 AromaticContact CE2-CD1 3.92Å; Y28-Y229 HydrophobicContact CE2-CD1 3.92Å; Y28-Y229 AromaticContact CE2-CE1 3.74Å; Y28-Y229 HydrophobicContact CE2-CE1 3.74Å; Y28-Y229 AromaticContact CG-CE1 3.77Å; Y28-Y229 HydrophobicContact CG-CE1 3.77Å; Y28-Y229 AromaticContact CZ-CD1 3.44Å; Y28-Y229 VanDerWaalsContact CZ-CD1 3.44Å; Y28-Y229 AromaticContact CZ-CE1 3.65Å; Y28-F232 WeakPolarHBondContact OH-CB 3.32Å |
| 29 | A | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L25 E26 V32 K33 Y97 L100 M101 | L25-A29 PolarHBondContact O-N 3.08Å; E26-A29 PolarHBondContact O-N 3.42Å; A29-V32 PolarHBondContact O-N 3.27Å; A29-K33 PolarHBondContact O-N 3.3Å; A29-Y97 HydrophobicContact CB-CD2 4.22Å; A29-Y97 HydrophobicContact CB-CE2 4.38Å; A29-Y97 VanDerWaalsContact O-CD2 3.32Å; A29-Y97 WeakPolarHBondContact O-CD2 3.29Å; A29-L100 HydrophobicContact CB-CB 4.01Å; A29-L100 HydrophobicContact CB-CD1 4.14Å; A29-M101 HydrophobicContact CB-SD 3.95Å |
| 30 | K | 98.5 | Very high | 98.5 | Very high | 131 Ų | 131 | 59.9 Ų | 59.9 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 174.4 | -170.7 | 177.2 | -172.3 | -80.6 | 0 | 112.2 | E26 R27 Y28 V32 K33 E34 | E26-K30 PolarHBondContact O-N 3.04Å; R27-K30 PolarHBondContact O-N 2.87Å; Y28-K30 VanDerWaalsContact C-N 3.32Å; Y28-K30 PolarHBondContact O-N 3.43Å; K30-V32 VanDerWaalsContact C-N 3.33Å; K30-V32 PolarHBondContact O-N 2.7Å; K30-K33 WeakPolarHBondContact O-CB 3.43Å; K30-K33 PolarHBondContact O-N 2.98Å; K30-K33 VanDerWaalsContact O-N 3.14Å; K30-E34 IonicContact NZ-OE1 3.78Å; K30-E34 PolarHBondContact NZ-OE1 3.16Å; K30-E34 PolarHBondContact O-N 3.12Å |
| 31 | F | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 45% | 0.447 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 173.9 | 163.2 | -95.8 | 0 | 0 | 0 | 112.3 | R27 Y28 K33 E34 R35 F232 | R27-F31 PolarHBondContact O-N 3.04Å; R27-F31 VanDerWaalsContact O-N 3.08Å; Y28-F31 AromaticContact CD2-CD1 3.86Å; Y28-F31 HydrophobicContact CD2-CD1 3.86Å; Y28-F31 AromaticContact CE2-CD1 3.73Å; Y28-F31 HydrophobicContact CE2-CD1 3.73Å; Y28-F31 HydrophobicContact CE2-CE1 4.07Å; Y28-F31 PolarHBondContact O-N 3.11Å; F31-K33 VanDerWaalsContact C-N 3.32Å; F31-K33 PolarHBondContact O-N 2.61Å; F31-E34 PolarHBondContact O-N 3.48Å; F31-R35 WeakPolarHBondContact O-CB 3.42Å; F31-R35 PolarHBondContact O-N 2.91Å; F31-F232 HydrophobicContact CE1-CE2 4.28Å; F31-F232 HydrophobicContact CE1-CZ 4.09Å; F31-F232 HydrophobicContact CZ-CZ 4.45Å |
| 32 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -36 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | Y28 A29 K30 R35 L36 V96 F232 | Y28-V32 HydrophobicContact CD1-CG2 4.38Å; Y28-V32 HydrophobicContact CD2-CG2 4.15Å; Y28-V32 HydrophobicContact CE1-CG2 3.87Å; Y28-V32 HydrophobicContact CE2-CG2 3.6Å; Y28-V32 HydrophobicContact CG-CG2 4.5Å; Y28-V32 VanDerWaalsContact CZ-CG2 3.42Å; Y28-V32 WeakPolarHBondContact O-CG2 3.32Å; Y28-V32 PolarHBondContact O-N 3.31Å; A29-V32 PolarHBondContact O-N 3.27Å; K30-V32 VanDerWaalsContact C-N 3.33Å; K30-V32 PolarHBondContact O-N 2.7Å; V32-R35 PolarHBondContact O-N 2.96Å; V32-L36 VanDerWaalsContact O-CB 3.23Å; V32-L36 WeakPolarHBondContact O-CB 3.44Å; V32-L36 PolarHBondContact O-N 3.43Å; V32-V96 HydrophobicContact CB-CG1 4.35Å; V32-V96 HydrophobicContact CG1-CB 3.94Å; V32-V96 HydrophobicContact CG1-CG1 3.78Å; V32-V96 HydrophobicContact CG2-CG1 3.75Å; V32-F232 HydrophobicContact CG1-CD2 4.46Å; V32-F232 HydrophobicContact CG2-CD2 4.09Å; V32-F232 HydrophobicContact CG2-CE2 4.3Å |
| 33 | K | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 174.8 | 176 | 53.1 | 177.8 | 151.4 | 0 | 112.3 | A29 K30 F31 L36 D37 Y97 | A29-K33 PolarHBondContact O-N 3.3Å; K30-K33 WeakPolarHBondContact O-CB 3.43Å; K30-K33 PolarHBondContact O-N 2.98Å; K30-K33 VanDerWaalsContact O-N 3.14Å; F31-K33 VanDerWaalsContact C-N 3.32Å; F31-K33 PolarHBondContact O-N 2.61Å; K33-L36 HydrophobicContact CD-CD2 4.17Å; K33-L36 WeakPolarHBondContact O-CB 3.21Å; K33-L36 PolarHBondContact O-N 2.88Å; K33-D37 WeakPolarHBondContact CE-OD2 3.38Å; K33-D37 IonicContact NZ-OD1 3.81Å; K33-D37 PolarHBondContact NZ-OD1 2.9Å; K33-D37 IonicContact NZ-OD2 3.91Å; K33-D37 PolarHBondContact NZ-OD2 2.59Å; K33-D37 VanDerWaalsContact O-CG 3.28Å; K33-D37 PolarHBondContact O-N 3.49Å; K33-Y97 HydrophobicContact CB-CD2 3.87Å; K33-Y97 HydrophobicContact CB-CE2 3.74Å; K33-Y97 HydrophobicContact CB-CG 4.49Å; K33-Y97 HydrophobicContact CD-CE1 4.46Å; K33-Y97 HydrophobicContact CG-CE2 4.29Å |
| 34 | E | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 64.5 Ų | 64.5 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.2 | -71.3 | 163 | -170 | 0 | 0 | 111.4 | K30 F31 L36 D37 I38 | K30-E34 IonicContact NZ-OE1 3.78Å; K30-E34 PolarHBondContact NZ-OE1 3.16Å; K30-E34 PolarHBondContact O-N 3.12Å; F31-E34 PolarHBondContact O-N 3.48Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.44Å; E34-D37 PolarHBondContact O-N 3.23Å; E34-I38 WeakPolarHBondContact O-CG1 3.24Å; E34-I38 PolarHBondContact O-N 3.35Å; E34-I38 VanDerWaalsContact O-N 3.11Å |
| 35 | R | 98.5 | Very high | 98.5 | Very high | 52 Ų | 52 | 66 Ų | 66 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.9 | 176.4 | 65 | -169.5 | 94.3 | -2.1 | 113 | F31 V32 E39 M92 F232 E236 | F31-R35 WeakPolarHBondContact O-CB 3.42Å; F31-R35 PolarHBondContact O-N 2.91Å; V32-R35 PolarHBondContact O-N 2.96Å; R35-E39 IonicContact CZ-OE2 3.22Å; R35-E39 IonicContact NH1-OE2 3.24Å; R35-E39 PolarHBondContact NH1-OE2 3.03Å; R35-E39 IonicContact NH2-OE2 2.98Å; R35-E39 PolarHBondContact NH2-OE2 3.11Å; R35-E39 PolarHBondContact O-N 3.27Å; R35-M92 HydrophobicContact CG-SD 4.08Å; R35-F232 HydrophobicContact CB-CE2 4.46Å; R35-F232 HydrophobicContact CG-CE2 3.85Å; R35-F232 HydrophobicContact CG-CZ 3.89Å; R35-E236 IonicContact CZ-OE1 3.84Å; R35-E236 IonicContact NH2-OE1 3.43Å; R35-E236 PolarHBondContact NH2-OE1 2.6Å |
| 36 | L | 97.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.1 | 166.6 | 64.5 | 0 | 0 | 0 | 111.3 | V32 K33 E34 I38 E39 Q40 A89 | V32-L36 VanDerWaalsContact O-CB 3.23Å; V32-L36 WeakPolarHBondContact O-CB 3.44Å; V32-L36 PolarHBondContact O-N 3.43Å; K33-L36 HydrophobicContact CD-CD2 4.17Å; K33-L36 WeakPolarHBondContact O-CB 3.21Å; K33-L36 PolarHBondContact O-N 2.88Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.44Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 3.06Å; L36-E39 WeakPolarHBondContact O-CB 3.43Å; L36-E39 PolarHBondContact O-N 3.28Å; L36-Q40 HydrophobicContact CD1-CG 4.16Å; L36-Q40 PolarHBondContact O-N 2.69Å; L36-A89 HydrophobicContact CD1-CB 3.57Å; L36-A89 WeakPolarHBondContact CD1-O 3.48Å |
| 37 | D | 98.3 | Very high | 98.6 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.6 | -34.4 | -175.9 | -66.3 | -19.7 | 0 | 0 | 0 | 111.9 | K33 E34 E39 N41 | K33-D37 WeakPolarHBondContact CE-OD2 3.38Å; K33-D37 IonicContact NZ-OD1 3.81Å; K33-D37 PolarHBondContact NZ-OD1 2.9Å; K33-D37 IonicContact NZ-OD2 3.91Å; K33-D37 PolarHBondContact NZ-OD2 2.59Å; K33-D37 VanDerWaalsContact O-CG 3.28Å; K33-D37 PolarHBondContact O-N 3.49Å; E34-D37 PolarHBondContact O-N 3.23Å; D37-E39 VanDerWaalsContact C-N 3.33Å; D37-E39 PolarHBondContact O-N 2.66Å; D37-N41 WeakPolarHBondContact O-CB 3.5Å; D37-N41 PolarHBondContact O-N 3.01Å |
| 38 | I | 98.8 | Very high | 98.5 | Very high | 110 Ų | 110 | 64.4 Ų | 64.4 | 56% | 0.564 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 167.8 | -68.8 | 165.1 | 0 | 0 | 0 | 111.1 | E34 L36 N41 Y42 | E34-I38 WeakPolarHBondContact O-CG1 3.24Å; E34-I38 PolarHBondContact O-N 3.35Å; E34-I38 VanDerWaalsContact O-N 3.11Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 3.06Å; I38-N41 PolarHBondContact O-N 2.66Å; I38-Y42 WeakPolarHBondContact O-CB 3.43Å; I38-Y42 PolarHBondContact O-N 2.89Å |
| 39 | E | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | -178.9 | -163.6 | 62.1 | -127.2 | 0 | 0 | 112.4 | R35 L36 D37 N41 Y42 A43 R85 V88 A89 | R35-E39 IonicContact CZ-OE2 3.22Å; R35-E39 IonicContact NH1-OE2 3.24Å; R35-E39 PolarHBondContact NH1-OE2 3.03Å; R35-E39 IonicContact NH2-OE2 2.98Å; R35-E39 PolarHBondContact NH2-OE2 3.11Å; R35-E39 PolarHBondContact O-N 3.27Å; L36-E39 WeakPolarHBondContact O-CB 3.43Å; L36-E39 PolarHBondContact O-N 3.28Å; D37-E39 VanDerWaalsContact C-N 3.33Å; D37-E39 PolarHBondContact O-N 2.66Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.3Å; E39-Y42 PolarHBondContact O-N 3.45Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 2.95Å; E39-R85 WeakPolarHBondContact CG-O 3.36Å; E39-R85 WeakPolarHBondContact OE1-CB 3.16Å; E39-R85 IonicContact OE1-CZ 3.47Å; E39-R85 VanDerWaalsContact OE1-CZ 3.3Å; E39-R85 IonicContact OE1-NE 2.72Å; E39-R85 PolarHBondContact OE1-NE 3.5Å; E39-R85 IonicContact OE1-NH2 3.5Å; E39-R85 PolarHBondContact OE1-NH2 2.99Å; E39-R85 VanDerWaalsContact OE1-NH2 3.11Å; E39-R85 IonicContact OE2-CZ 2.66Å; E39-R85 IonicContact OE2-NE 3.52Å; E39-R85 IonicContact OE2-NH2 3.44Å; E39-R85 PolarHBondContact OE2-NH2 3.29Å; E39-V88 HydrophobicContact CG-CB 4.44Å; E39-V88 HydrophobicContact CG-CG1 4.42Å; E39-A89 HydrophobicContact CB-CB 4.16Å; E39-A89 HydrophobicContact CG-CB 4.07Å |
| 40 | Q | 98.4 | Very high | 98.5 | Very high | 93 Ų | 93 | 67.2 Ų | 67.2 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 177.3 | -68.7 | -173.5 | -23.7 | 0 | 0 | 111.5 | L36 K44 A89 | L36-Q40 HydrophobicContact CD1-CG 4.16Å; L36-Q40 PolarHBondContact O-N 2.69Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 PolarHBondContact O-N 3.34Å; Q40-A89 HydrophobicContact CG-CB 3.63Å |
| 41 | N | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 67.9 Ų | 67.9 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 175.1 | -170.6 | 18.8 | 0 | 0 | 0 | 111.7 | D37 I38 E39 A43 K44 Q45 | D37-N41 WeakPolarHBondContact O-CB 3.5Å; D37-N41 PolarHBondContact O-N 3.01Å; I38-N41 PolarHBondContact O-N 2.66Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.3Å; N41-A43 PolarHBondContact O-N 2.94Å; N41-K44 PolarHBondContact O-N 3.22Å; N41-Q45 VanDerWaalsContact CG-NE2 3.3Å; N41-Q45 PolarHBondContact ND2-NE2 2.79Å; N41-Q45 WeakPolarHBondContact O-CG 3.29Å; N41-Q45 PolarHBondContact O-N 3.1Å; N41-Q45 PolarHBondContact OD1-NE2 3.32Å |
| 42 | Y | 98.8 | Very high | 98.3 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.1 | -50 | 177.6 | 174.9 | -125.6 | 0 | 0 | 0 | 112 | I38 E39 K44 Q45 L46 Y81 R85 | I38-Y42 WeakPolarHBondContact O-CB 3.43Å; I38-Y42 PolarHBondContact O-N 2.89Å; E39-Y42 PolarHBondContact O-N 3.45Å; Y42-K44 PolarHBondContact O-N 3.42Å; Y42-Q45 PolarHBondContact O-N 2.73Å; Y42-L46 HydrophobicContact CD2-CG 4.43Å; Y42-L46 HydrophobicContact CE1-CD1 4.02Å; Y42-L46 HydrophobicContact CE2-CD1 4.05Å; Y42-L46 HydrophobicContact CE2-CD2 4.14Å; Y42-L46 HydrophobicContact CE2-CG 4.07Å; Y42-L46 PolarHBondContact O-N 2.73Å; Y42-Y81 HydrophobicContact CE1-CE1 4.2Å; Y42-R85 HydrophobicContact CD1-CG 4.24Å; Y42-R85 HydrophobicContact CE1-CG 4.02Å |
| 43 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E39 N41 Q45 L46 R47 R85 E86 | E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 2.95Å; N41-A43 PolarHBondContact O-N 2.94Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 2.83Å; A43-L46 PolarHBondContact O-N 3.37Å; A43-R47 WeakPolarHBondContact O-CG 3.21Å; A43-R47 PolarHBondContact O-N 2.95Å; A43-R85 HydrophobicContact CB-CB 3.8Å; A43-E86 HydrophobicContact CB-CG 3.79Å |
| 44 | K | 98.6 | Very high | 97.7 | Very high | 132 Ų | 132 | 71.4 Ų | 71.4 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.4 | -40.4 | 174.4 | -178.5 | -175.1 | 177.7 | -171.7 | 0 | 112.4 | Q40 N41 Y42 R47 N48 | Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 PolarHBondContact O-N 3.34Å; N41-K44 PolarHBondContact O-N 3.22Å; Y42-K44 PolarHBondContact O-N 3.42Å; K44-R47 PolarHBondContact O-N 2.83Å; K44-N48 WeakPolarHBondContact O-CB 3.49Å; K44-N48 VanDerWaalsContact O-CG 3.3Å; K44-N48 PolarHBondContact O-N 3.07Å |
| 45 | Q | 98.8 | Very high | 96.8 | Very high | 107 Ų | 107 | 70 Ų | 70 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.6 | -72.2 | 175.1 | 34.9 | 0 | 0 | 111.6 | N41 Y42 A43 N48 L49 | N41-Q45 VanDerWaalsContact CG-NE2 3.3Å; N41-Q45 PolarHBondContact ND2-NE2 2.79Å; N41-Q45 WeakPolarHBondContact O-CG 3.29Å; N41-Q45 PolarHBondContact O-N 3.1Å; N41-Q45 PolarHBondContact OD1-NE2 3.32Å; Y42-Q45 PolarHBondContact O-N 2.73Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 2.83Å; Q45-N48 PolarHBondContact O-N 2.77Å; Q45-L49 WeakPolarHBondContact O-CB 3.48Å; Q45-L49 PolarHBondContact O-N 2.77Å |
| 46 | L | 98.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 74.2 Ų | 74.2 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 173.8 | -64.4 | -178.2 | 0 | 0 | 0 | 112.6 | Y42 A43 N48 L49 V50 L78 Y81 A82 | Y42-L46 HydrophobicContact CD2-CG 4.43Å; Y42-L46 HydrophobicContact CE1-CD1 4.02Å; Y42-L46 HydrophobicContact CE2-CD1 4.05Å; Y42-L46 HydrophobicContact CE2-CD2 4.14Å; Y42-L46 HydrophobicContact CE2-CG 4.07Å; Y42-L46 PolarHBondContact O-N 2.73Å; A43-L46 PolarHBondContact O-N 3.37Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 2.87Å; L46-L49 PolarHBondContact O-N 3.01Å; L46-V50 WeakPolarHBondContact O-CG2 3.24Å; L46-V50 PolarHBondContact O-N 3.33Å; L46-L78 HydrophobicContact CD2-CD1 4.3Å; L46-Y81 HydrophobicContact CD1-CD1 3.67Å; L46-Y81 HydrophobicContact CD1-CE1 3.72Å; L46-A82 HydrophobicContact CB-CB 3.67Å; L46-A82 HydrophobicContact CD1-CB 4.21Å |
| 47 | R | 98.3 | Very high | 93.9 | Very high | 73 Ų | 73 | 85.8 Ų | 85.8 | 28% | 0.275 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 173.5 | -68.5 | -68 | -164.1 | -173.5 | 0.5 | 111.7 | A43 K44 K51 N79 A82 E86 | A43-R47 WeakPolarHBondContact O-CG 3.21Å; A43-R47 PolarHBondContact O-N 2.95Å; K44-R47 PolarHBondContact O-N 2.83Å; R47-K51 WeakPolarHBondContact O-CB 3.23Å; R47-K51 PolarHBondContact O-N 3.28Å; R47-N79 PolarHBondContact NH1-ND2 2.81Å; R47-N79 VanDerWaalsContact NH1-ND2 3.12Å; R47-N79 PolarHBondContact NH1-O 2.68Å; R47-N79 PolarHBondContact NH1-OD1 2.87Å; R47-A82 HydrophobicContact CG-CB 4.13Å; R47-E86 VanDerWaalsContact CG-OE1 3.31Å; R47-E86 WeakPolarHBondContact CG-OE1 3.34Å; R47-E86 IonicContact CZ-OE1 2.71Å; R47-E86 IonicContact CZ-OE2 3.78Å; R47-E86 IonicContact NE-OE1 3.26Å; R47-E86 PolarHBondContact NE-OE1 2.95Å; R47-E86 IonicContact NE-OE2 2.66Å; R47-E86 PolarHBondContact NE-OE2 3.11Å; R47-E86 IonicContact NH2-OE1 3.17Å; R47-E86 IonicContact NH2-OE2 3.14Å; R47-E86 PolarHBondContact NH2-OE2 3.45Å |
| 48 | N | 98.2 | Very high | 91.8 | Very high | 91 Ų | 91 | 85.6 Ų | 85.6 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.5 | -75.4 | -9.9 | 0 | 0 | 0 | 112.1 | K44 Q45 L46 K51 K52 | K44-N48 WeakPolarHBondContact O-CB 3.49Å; K44-N48 VanDerWaalsContact O-CG 3.3Å; K44-N48 PolarHBondContact O-N 3.07Å; Q45-N48 PolarHBondContact O-N 2.77Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 2.87Å; N48-K51 PolarHBondContact O-N 3.21Å; N48-K52 WeakPolarHBondContact O-CB 3.37Å; N48-K52 PolarHBondContact O-N 3.49Å |
| 49 | L | 98.5 | Very high | 89.7 | Confident | 78 Ų | 78 | 90 Ų | 90 | 41% | 0.408 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.6 | -176 | 68.1 | 0 | 0 | 0 | 111.3 | Q45 L46 K51 K52 Y53 L78 | Q45-L49 WeakPolarHBondContact O-CB 3.48Å; Q45-L49 PolarHBondContact O-N 2.77Å; L46-L49 PolarHBondContact O-N 3.01Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.26Å; L49-K52 PolarHBondContact O-N 3.31Å; L49-Y53 HydrophobicContact CD1-CD2 4.03Å; L49-Y53 HydrophobicContact CD1-CE2 3.7Å; L49-Y53 WeakPolarHBondContact O-CD2 3.44Å; L49-Y53 PolarHBondContact O-N 3.38Å; L49-L78 HydrophobicContact CD2-CD2 4.3Å |
| 50 | V | 97.9 | Very high | 87.6 | Confident | 8 Ų | 8 | 97 Ų | 97 | 5% | 0.048 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -55.9 | -50 | 172.3 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | L46 K52 Y53 C54 L75 L78 N79 | L46-V50 WeakPolarHBondContact O-CG2 3.24Å; L46-V50 PolarHBondContact O-N 3.33Å; V50-K52 VanDerWaalsContact C-N 3.28Å; V50-K52 PolarHBondContact O-N 3.01Å; V50-Y53 PolarHBondContact O-N 3.34Å; V50-C54 WeakPolarHBondContact O-CB 3.39Å; V50-C54 PolarHBondContact O-N 2.89Å; V50-C54 PolarHBondContact O-SG 3.43Å; V50-C54 VanDerWaalsContact O-SG 3.37Å; V50-L75 HydrophobicContact CG1-CB 4.5Å; V50-L75 WeakPolarHBondContact CG2-O 3.33Å; V50-L78 HydrophobicContact CG2-CB 4Å; V50-L78 HydrophobicContact CG2-CD2 4.01Å; V50-L78 HydrophobicContact CG2-CG 3.95Å; V50-N79 HydrophobicContact CG1-CB 4.03Å; V50-N79 HydrophobicContact CG2-CB 4.24Å |
| 51 | K | 96 | Very high | 85.8 | Confident | 145 Ų | 145 | 99.7 Ų | 99.7 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.2 | -36.7 | -179.2 | -172.6 | -176.6 | 174.5 | -170.9 | 0 | 112.4 | R47 N48 L49 | R47-K51 WeakPolarHBondContact O-CB 3.23Å; R47-K51 PolarHBondContact O-N 3.28Å; N48-K51 PolarHBondContact O-N 3.21Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.26Å |
| 52 | K | 96.8 | Very high | 84 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 32% | 0.317 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 177.8 | -177.2 | 174 | -178.7 | 165.6 | 0 | 112.9 | N48 L49 V50 F485 D487 | N48-K52 WeakPolarHBondContact O-CB 3.37Å; N48-K52 PolarHBondContact O-N 3.49Å; L49-K52 PolarHBondContact O-N 3.31Å; V50-K52 VanDerWaalsContact C-N 3.28Å; V50-K52 PolarHBondContact O-N 3.01Å; K52-F485 HydrophobicContact CD-CE1 4.26Å; K52-F485 HydrophobicContact CD-CZ 3.68Å; K52-F485 HydrophobicContact CG-CE1 4.49Å; K52-F485 HydrophobicContact CG-CE2 4.48Å; K52-F485 HydrophobicContact CG-CZ 3.83Å; K52-D487 WeakPolarHBondContact CE-OD2 3.45Å; K52-D487 IonicContact NZ-OD1 2.59Å; K52-D487 PolarHBondContact NZ-OD1 2.7Å; K52-D487 IonicContact NZ-OD2 2.7Å; K52-D487 PolarHBondContact NZ-OD2 3.1Å |
| 53 | Y | 94.8 | Very high | 82.4 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -103 | -6.8 | -174.4 | -67.9 | -73.5 | 0 | 0 | 0 | 115.1 | L49 V50 L75 | L49-Y53 HydrophobicContact CD1-CD2 4.03Å; L49-Y53 HydrophobicContact CD1-CE2 3.7Å; L49-Y53 WeakPolarHBondContact O-CD2 3.44Å; L49-Y53 PolarHBondContact O-N 3.38Å; V50-Y53 PolarHBondContact O-N 3.34Å; Y53-L75 WeakPolarHBondContact O-CD1 3.4Å |
| 54 | C | 89.6 | Confident | 81.6 | Confident | 54 Ų | 54 | 108 Ų | 108 | 37% | 0.365 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -68 | 140.7 | 172.4 | -87 | 0 | 0 | 0 | 0 | 112.2 | V50 K56 | V50-C54 WeakPolarHBondContact O-CB 3.39Å; V50-C54 PolarHBondContact O-N 2.89Å; V50-C54 PolarHBondContact O-SG 3.43Å; V50-C54 VanDerWaalsContact O-SG 3.37Å; C54-K56 PolarHBondContact O-N 3.18Å |
| 55 | P | 81.6 | Confident | 81.4 | Confident | 63 Ų | 63 | 104.8 Ų | 104.8 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | trans | -60.2 | 123.4 | -177.9 | -28.3 | 36.9 | 0 | 0 | 0 | 114.9 | R57 Y72 | P55-R57 PolarHBondContact O-N 3.23Å; P55-R57 VanDerWaalsContact O-N 3.15Å; P55-Y72 HydrophobicContact CG-CD1 3.81Å; P55-Y72 HydrophobicContact CG-CD2 4.21Å; P55-Y72 HydrophobicContact CG-CE1 3.39Å; P55-Y72 HydrophobicContact CG-CE2 3.84Å; P55-Y72 HydrophobicContact CG-CG 4.22Å; P55-Y72 VanDerWaalsContact CG-CZ 3.42Å | ||
| 56 | K | 76.4 | Confident | 81.2 | Confident | 141 Ų | 141 | 100.2 Ų | 100.2 | 61% | 0.613 | 47% | 0.466 | S | S | * | . | trans | -71.2 | 103.2 | 166.3 | -58.2 | -179.3 | -170.8 | -178.7 | 0 | 108 | C54 S58 E484 | C54-K56 PolarHBondContact O-N 3.18Å; K56-S58 PolarHBondContact O-N 3.31Å; K56-E484 WeakPolarHBondContact CE-OE1 3.45Å; K56-E484 IonicContact NZ-OE1 3.28Å; K56-E484 PolarHBondContact NZ-OE1 2.85Å; K56-E484 IonicContact NZ-OE2 2.74Å; K56-E484 PolarHBondContact NZ-OE2 3.39Å | ||
| 57 | R | 59 | Low | 81 | Confident | 246 Ų | 246 | 101.9 Ų | 101.9 | 93% | 0.928 | 48% | 0.48 | S | S | * | . | trans | -58.9 | 113.3 | -163 | -70.6 | 178.3 | 172 | 167.5 | -3 | 114.6 | P55 | P55-R57 PolarHBondContact O-N 3.23Å; P55-R57 VanDerWaalsContact O-N 3.15Å | ||
| 58 | S | 53.7 | Low | 80.8 | Confident | 60 Ų | 60 | 100.3 Ų | 100.3 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | trans | -98.1 | 138.6 | 147.5 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | K56 | K56-S58 PolarHBondContact O-N 3.31Š| ||
| 59 | K | 53.2 | Low | 80.6 | Confident | 202 Ų | 202 | 100 Ų | 100 | 88% | 0.878 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -76.9 | -22.3 | -179 | -90.9 | -169.8 | 173.6 | -175.3 | 0 | 114 | ||
| 60 | D | 55 | Low | 80.5 | Confident | 150 Ų | 150 | 96.6 Ų | 96.6 | 80% | 0.802 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -96.6 | -6 | -176.2 | -61.8 | -58.5 | 0 | 0 | 0 | 113 | ||
| 61 | E | 59.8 | Low | 80.4 | Confident | 151 Ų | 151 | 100.4 Ų | 100.4 | 71% | 0.706 | 48% | 0.476 | S | S | * | . | trans | -118.9 | 33.4 | -178.9 | -61.4 | -170.2 | 132.8 | 0 | 0 | 112.8 | P63 | E61-P63 WeakPolarHBondContact O-CD 3.35Š| ||
| 62 | E | 62.4 | Low | 80.3 | Confident | 158 Ų | 158 | 97 Ų | 97 | 74% | 0.738 | 46% | 0.46 | S | S | * | . | trans | -61.1 | 118.5 | 174.1 | -164.5 | 160.5 | -114.5 | 0 | 0 | 109.7 | R64 | E62-R64 PolarHBondContact O-N 3.06Š| ||
| 63 | P | 65.1 | Low | 80.3 | Confident | 36 Ų | 36 | 96.6 Ų | 96.6 | 23% | 0.234 | 47% | 0.466 | C | S | . | . | trans | -72.5 | 108.7 | -165.1 | -25 | 38.3 | 0 | 0 | 0 | 112.7 | E61 C68 L69 Y72 | E61-P63 WeakPolarHBondContact O-CD 3.35Å; P63-C68 HydrophobicContact CB-CB 3.75Å; P63-L69 VanDerWaalsContact O-CD2 3.3Å; P63-L69 WeakPolarHBondContact O-CD2 3.3Å; P63-L69 WeakPolarHBondContact O-CG 3.34Å; P63-Y72 HydrophobicContact CB-CE2 3.93Å; P63-Y72 HydrophobicContact CG-CE2 3.74Å | ||
| 64 | R | 82 | Confident | 80.5 | Confident | 161 Ų | 161 | 93.4 Ų | 93.4 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | trans | -77 | -19.4 | -173.5 | -75.4 | 171.1 | -84.1 | 161.9 | -3.8 | 114.8 | E62 I265 | E62-R64 PolarHBondContact O-N 3.06Å; R64-I265 HydrophobicContact CB-CG2 4.12Å; R64-I265 WeakPolarHBondContact O-CD1 3.46Å | ||
| 65 | F | 92.8 | Very high | 80.9 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | trans | -71.8 | 133.3 | -177.5 | -60.9 | -63.9 | 0 | 0 | 0 | 111.6 | S67 C68 L69 D262 I265 V266 | F65-S67 PolarHBondContact O-N 3.15Å; F65-C68 HydrophobicContact CB-CB 4.48Å; F65-C68 PolarHBondContact O-N 3.48Å; F65-L69 WeakPolarHBondContact O-CG 3.45Å; F65-L69 PolarHBondContact O-N 2.94Å; F65-D262 HydrophobicContact CD1-CB 3.98Å; F65-I265 HydrophobicContact CD1-CB 4.24Å; F65-I265 HydrophobicContact CD1-CG2 3.99Å; F65-I265 HydrophobicContact CE1-CB 3.95Å; F65-I265 HydrophobicContact CE1-CG2 3.56Å; F65-I265 HydrophobicContact CZ-CG2 4.16Å; F65-V266 HydrophobicContact CE1-CG2 3.73Å; F65-V266 HydrophobicContact CZ-CG2 4.01Å | ||
| 66 | T | 95.9 | Very high | 81.7 | Confident | 11 Ų | 11 | 89.8 Ų | 89.8 | 7% | 0.067 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.3 | -35.1 | 179 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | L69 S70 D258 R261 D262 | T66-L69 PolarHBondContact O-N 2.94Å; T66-S70 VanDerWaalsContact O-CB 3.24Å; T66-S70 WeakPolarHBondContact O-CB 3.44Å; T66-S70 PolarHBondContact O-N 2.84Å; T66-S70 PolarHBondContact O-OG 3.36Å; T66-D258 HydrophobicContact CG2-CB 4.42Å; T66-D258 PolarHBondContact OG1-N 3.28Å; T66-R261 HydrophobicContact CG2-CB 4.35Å; T66-R261 HydrophobicContact CG2-CG 4.29Å; T66-D262 WeakPolarHBondContact CB-OD1 3.28Å; T66-D262 WeakPolarHBondContact CG2-OD1 3.45Å; T66-D262 PolarHBondContact N-OD1 3.25Å; T66-D262 PolarHBondContact N-OD2 2.61Å; T66-D262 PolarHBondContact OG1-OD1 3.38Å; T66-D262 PolarHBondContact OG1-OD2 3.2Å |
| 67 | S | 94.6 | Very high | 82.7 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55.3 | -48.3 | 170.2 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | F65 F71 D262 | F65-S67 PolarHBondContact O-N 3.15Å; S67-F71 PolarHBondContact O-N 3.22Å; S67-D262 WeakPolarHBondContact CB-OD2 3.44Å; S67-D262 PolarHBondContact N-OD2 2.99Å; S67-D262 PolarHBondContact OG-OD2 3.13Å |
| 68 | C | 93.3 | Very high | 84.6 | Confident | 40 Ų | 40 | 75 Ų | 75 | 27% | 0.27 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 176.1 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | P63 F65 S70 F71 Y72 | P63-C68 HydrophobicContact CB-CB 3.75Å; F65-C68 HydrophobicContact CB-CB 4.48Å; F65-C68 PolarHBondContact O-N 3.48Å; C68-S70 VanDerWaalsContact C-N 3.29Å; C68-S70 PolarHBondContact O-N 3.16Å; C68-F71 WeakPolarHBondContact O-CB 3.44Å; C68-F71 PolarHBondContact O-N 2.94Å; C68-F71 VanDerWaalsContact O-N 3.16Å; C68-Y72 HydrophobicContact CB-CE2 4.06Å; C68-Y72 WeakPolarHBondContact O-CD2 3.29Å; C68-Y72 WeakPolarHBondContact O-CE2 3.38Å; C68-Y72 PolarHBondContact O-N 3.43Å; C68-Y72 VanDerWaalsContact O-N 3.13Å |
| 69 | L | 93.6 | Very high | 86.7 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 179.7 | -68.9 | 169.9 | 0 | 0 | 0 | 111.8 | P63 F65 T66 F71 Y72 S73 | P63-L69 VanDerWaalsContact O-CD2 3.3Å; P63-L69 WeakPolarHBondContact O-CD2 3.3Å; P63-L69 WeakPolarHBondContact O-CG 3.34Å; F65-L69 WeakPolarHBondContact O-CG 3.45Å; F65-L69 PolarHBondContact O-N 2.94Å; T66-L69 PolarHBondContact O-N 2.94Å; L69-F71 VanDerWaalsContact C-N 3.35Å; L69-F71 PolarHBondContact O-N 2.94Å; L69-Y72 PolarHBondContact O-N 3.26Å; L69-S73 PolarHBondContact O-N 3.47Å; L69-S73 PolarHBondContact O-OG 3.46Å |
| 70 | S | 96.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | T66 C68 S73 I74 A253 V257 | T66-S70 VanDerWaalsContact O-CB 3.24Å; T66-S70 WeakPolarHBondContact O-CB 3.44Å; T66-S70 PolarHBondContact O-N 2.84Å; T66-S70 PolarHBondContact O-OG 3.36Å; C68-S70 VanDerWaalsContact C-N 3.29Å; C68-S70 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-N 3.36Å; S70-I74 WeakPolarHBondContact O-CG1 3.47Å; S70-I74 PolarHBondContact O-N 2.97Å; S70-A253 VanDerWaalsContact CB-O 3.29Å; S70-A253 WeakPolarHBondContact CB-O 3.1Å; S70-A253 PolarHBondContact OG-O 3.04Å; S70-A253 VanDerWaalsContact OG-O 3.06Å; S70-V257 WeakPolarHBondContact OG-CG2 3.34Å |
| 71 | F | 96.5 | Very high | 91 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 173.1 | 175.6 | -115.4 | 0 | 0 | 0 | 111.9 | S67 C68 L69 S73 I74 L75 | S67-F71 PolarHBondContact O-N 3.22Å; C68-F71 WeakPolarHBondContact O-CB 3.44Å; C68-F71 PolarHBondContact O-N 2.94Å; C68-F71 VanDerWaalsContact O-N 3.16Å; L69-F71 VanDerWaalsContact C-N 3.35Å; L69-F71 PolarHBondContact O-N 2.94Å; F71-S73 PolarHBondContact O-N 3.05Å; F71-I74 WeakPolarHBondContact O-CB 3.21Å; F71-I74 PolarHBondContact O-N 3.44Å; F71-I74 VanDerWaalsContact O-N 3.15Å; F71-L75 HydrophobicContact CD1-CD1 4.38Å; F71-L75 HydrophobicContact CE1-CD1 3.79Å; F71-L75 HydrophobicContact CE1-CG 4.23Å; F71-L75 HydrophobicContact CE2-CD2 4.11Å; F71-L75 HydrophobicContact CE2-CG 4.27Å; F71-L75 HydrophobicContact CZ-CD1 3.95Å; F71-L75 HydrophobicContact CZ-CD2 3.95Å; F71-L75 HydrophobicContact CZ-CG 4.03Å; F71-L75 PolarHBondContact O-N 2.96Å |
| 72 | Y | 94.5 | Very high | 92.8 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 29% | 0.286 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.3 | -31.5 | 176.7 | -51.6 | -41.2 | 0 | 0 | 0 | 113.1 | P55 P63 C68 L69 I74 L75 G76 | P55-Y72 HydrophobicContact CG-CD1 3.81Å; P55-Y72 HydrophobicContact CG-CD2 4.21Å; P55-Y72 HydrophobicContact CG-CE1 3.39Å; P55-Y72 HydrophobicContact CG-CE2 3.84Å; P55-Y72 HydrophobicContact CG-CG 4.22Å; P55-Y72 VanDerWaalsContact CG-CZ 3.42Å; P63-Y72 HydrophobicContact CB-CE2 3.93Å; P63-Y72 HydrophobicContact CG-CE2 3.74Å; C68-Y72 HydrophobicContact CB-CE2 4.06Å; C68-Y72 WeakPolarHBondContact O-CD2 3.29Å; C68-Y72 WeakPolarHBondContact O-CE2 3.38Å; C68-Y72 PolarHBondContact O-N 3.43Å; C68-Y72 VanDerWaalsContact O-N 3.13Å; L69-Y72 PolarHBondContact O-N 3.26Å; Y72-I74 VanDerWaalsContact C-N 3.35Å; Y72-L75 HydrophobicContact CD1-CD1 4.26Å; Y72-L75 PolarHBondContact O-N 3.41Å; Y72-G76 PolarHBondContact O-N 2.66Å |
| 73 | S | 96.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 168.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L69 S70 F71 G76 E77 | L69-S73 PolarHBondContact O-N 3.47Å; L69-S73 PolarHBondContact O-OG 3.46Å; S70-S73 PolarHBondContact O-N 3.36Å; F71-S73 PolarHBondContact O-N 3.05Å; S73-G76 PolarHBondContact O-N 3.11Å; S73-E77 PolarHBondContact O-N 3.14Å |
| 74 | I | 98.4 | Very high | 96.1 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.5 | -69.1 | 163.2 | 0 | 0 | 0 | 111.3 | S70 F71 Y72 G76 E77 L78 M250 A253 | S70-I74 WeakPolarHBondContact O-CG1 3.47Å; S70-I74 PolarHBondContact O-N 2.97Å; F71-I74 WeakPolarHBondContact O-CB 3.21Å; F71-I74 PolarHBondContact O-N 3.44Å; F71-I74 VanDerWaalsContact O-N 3.15Å; Y72-I74 VanDerWaalsContact C-N 3.35Å; I74-G76 VanDerWaalsContact C-N 3.3Å; I74-G76 PolarHBondContact O-N 3.03Å; I74-E77 PolarHBondContact O-N 2.92Å; I74-L78 WeakPolarHBondContact O-CB 3.47Å; I74-L78 PolarHBondContact O-N 3.41Å; I74-M250 HydrophobicContact CB-CG 4.48Å; I74-M250 HydrophobicContact CG1-CB 4.17Å; I74-M250 HydrophobicContact CG1-CG 4.34Å; I74-M250 HydrophobicContact CG2-CG 4.15Å; I74-M250 HydrophobicContact CG2-SD 4.45Å; I74-A253 HydrophobicContact CG1-CB 3.96Å |
| 75 | L | 97.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 172.8 | -66.2 | -175 | 0 | 0 | 0 | 112.3 | V50 Y53 F71 Y72 L78 N79 | V50-L75 HydrophobicContact CG1-CB 4.5Å; V50-L75 WeakPolarHBondContact CG2-O 3.33Å; Y53-L75 WeakPolarHBondContact O-CD1 3.4Å; F71-L75 HydrophobicContact CD1-CD1 4.38Å; F71-L75 HydrophobicContact CE1-CD1 3.79Å; F71-L75 HydrophobicContact CE1-CG 4.23Å; F71-L75 HydrophobicContact CE2-CD2 4.11Å; F71-L75 HydrophobicContact CE2-CG 4.27Å; F71-L75 HydrophobicContact CZ-CD1 3.95Å; F71-L75 HydrophobicContact CZ-CD2 3.95Å; F71-L75 HydrophobicContact CZ-CG 4.03Å; F71-L75 PolarHBondContact O-N 2.96Å; Y72-L75 HydrophobicContact CD1-CD1 4.26Å; Y72-L75 PolarHBondContact O-N 3.41Å; L75-L78 PolarHBondContact O-N 2.92Å; L75-N79 WeakPolarHBondContact O-CB 3.43Å; L75-N79 PolarHBondContact O-N 2.83Å |
| 76 | G | 97.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y72 S73 I74 L78 N79 D80 | Y72-G76 PolarHBondContact O-N 2.66Å; S73-G76 PolarHBondContact O-N 3.11Å; I74-G76 VanDerWaalsContact C-N 3.3Å; I74-G76 PolarHBondContact O-N 3.03Å; G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 3.44Å; G76-N79 VanDerWaalsContact O-CB 3.3Å; G76-N79 WeakPolarHBondContact O-CB 3.32Å; G76-N79 PolarHBondContact O-N 3.05Å; G76-D80 PolarHBondContact O-N 3.4Å; G76-D80 VanDerWaalsContact O-N 3.08Å |
| 77 | E | 98.7 | Very high | 97.3 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -29.1 | 176.6 | -64.2 | -70.3 | -173.6 | 0 | 0 | 112.1 | S73 I74 D80 Y81 C246 M250 | S73-E77 PolarHBondContact O-N 3.14Å; I74-E77 PolarHBondContact O-N 2.92Å; E77-D80 PolarHBondContact O-N 3.49Å; E77-Y81 WeakPolarHBondContact O-CB 3.4Å; E77-Y81 PolarHBondContact O-N 2.89Å; E77-C246 HydrophobicContact CB-CB 4.22Å; E77-C246 WeakPolarHBondContact OE2-CA 3.46Å; E77-C246 PolarHBondContact OE2-SG 3.17Å; E77-M250 HydrophobicContact CB-CE 3.91Å; E77-M250 HydrophobicContact CB-CG 3.74Å; E77-M250 HydrophobicContact CG-CG 4.45Å |
| 78 | L | 98.8 | Very high | 97.5 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 19% | 0.194 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 173.5 | -173.4 | 61.7 | 0 | 0 | 0 | 112 | L46 L49 V50 I74 L75 G76 A82 M250 | L46-L78 HydrophobicContact CD2-CD1 4.3Å; L49-L78 HydrophobicContact CD2-CD2 4.3Å; V50-L78 HydrophobicContact CG2-CB 4Å; V50-L78 HydrophobicContact CG2-CD2 4.01Å; V50-L78 HydrophobicContact CG2-CG 3.95Å; I74-L78 WeakPolarHBondContact O-CB 3.47Å; I74-L78 PolarHBondContact O-N 3.41Å; L75-L78 PolarHBondContact O-N 2.92Å; G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 3.44Å; L78-A82 WeakPolarHBondContact O-CB 3.34Å; L78-A82 PolarHBondContact O-N 2.94Å; L78-M250 HydrophobicContact CB-CE 3.75Å; L78-M250 HydrophobicContact CD1-CE 4.14Å; L78-M250 VanDerWaalsContact N-CE 3.31Å |
| 79 | N | 98.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 172.5 | 179.6 | 75.5 | 0 | 0 | 0 | 111.7 | R47 V50 L75 G76 A82 G83 | R47-N79 PolarHBondContact NH1-ND2 2.81Å; R47-N79 VanDerWaalsContact NH1-ND2 3.12Å; R47-N79 PolarHBondContact NH1-O 2.68Å; R47-N79 PolarHBondContact NH1-OD1 2.87Å; V50-N79 HydrophobicContact CG1-CB 4.03Å; V50-N79 HydrophobicContact CG2-CB 4.24Å; L75-N79 WeakPolarHBondContact O-CB 3.43Å; L75-N79 PolarHBondContact O-N 2.83Å; G76-N79 VanDerWaalsContact O-CB 3.3Å; G76-N79 WeakPolarHBondContact O-CB 3.32Å; G76-N79 PolarHBondContact O-N 3.05Å; N79-A82 WeakPolarHBondContact O-CB 3.33Å; N79-A82 PolarHBondContact O-N 3.5Å; N79-G83 PolarHBondContact O-N 2.93Å |
| 80 | D | 98.6 | Very high | 98 | Very high | 77 Ų | 77 | 41.9 Ų | 41.9 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -75.3 | -34.4 | -178.2 | -74 | 12.7 | 0 | 0 | 0 | 111.2 | G76 E77 G83 Q84 | G76-D80 PolarHBondContact O-N 3.4Å; G76-D80 VanDerWaalsContact O-N 3.08Å; E77-D80 PolarHBondContact O-N 3.49Å; D80-G83 PolarHBondContact O-N 3.43Å; D80-Q84 PolarHBondContact O-N 3.26Å |
| 81 | Y | 98.8 | Very high | 98 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 165.7 | 178 | -77.9 | 0 | 0 | 0 | 111.7 | Y42 L46 E77 G83 Q84 R85 I243 | Y42-Y81 HydrophobicContact CE1-CE1 4.2Å; L46-Y81 HydrophobicContact CD1-CD1 3.67Å; L46-Y81 HydrophobicContact CD1-CE1 3.72Å; E77-Y81 WeakPolarHBondContact O-CB 3.4Å; E77-Y81 PolarHBondContact O-N 2.89Å; Y81-G83 VanDerWaalsContact C-N 3.28Å; Y81-G83 PolarHBondContact O-N 3.46Å; Y81-Q84 WeakPolarHBondContact O-CB 3.44Å; Y81-Q84 PolarHBondContact O-N 2.91Å; Y81-R85 HydrophobicContact CD1-CG 4.1Å; Y81-R85 HydrophobicContact CE1-CG 3.68Å; Y81-R85 PolarHBondContact O-N 3.25Å; Y81-R85 VanDerWaalsContact O-N 3.11Å; Y81-I243 HydrophobicContact CD2-CB 4.36Å; Y81-I243 HydrophobicContact CD2-CG1 3.97Å; Y81-I243 HydrophobicContact CD2-CG2 3.95Å; Y81-I243 HydrophobicContact CE2-CB 4.35Å; Y81-I243 HydrophobicContact CE2-CD1 4.18Å; Y81-I243 HydrophobicContact CE2-CG1 4Å; Y81-I243 HydrophobicContact CE2-CG2 3.62Å |
| 82 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L46 R47 L78 N79 Q84 R85 E86 | L46-A82 HydrophobicContact CB-CB 3.67Å; L46-A82 HydrophobicContact CD1-CB 4.21Å; R47-A82 HydrophobicContact CG-CB 4.13Å; L78-A82 WeakPolarHBondContact O-CB 3.34Å; L78-A82 PolarHBondContact O-N 2.94Å; N79-A82 WeakPolarHBondContact O-CB 3.33Å; N79-A82 PolarHBondContact O-N 3.5Å; A82-Q84 VanDerWaalsContact C-N 3.31Å; A82-Q84 PolarHBondContact O-N 2.83Å; A82-R85 WeakPolarHBondContact O-CB 3.45Å; A82-R85 PolarHBondContact O-N 2.87Å; A82-R85 VanDerWaalsContact O-N 3.08Å; A82-E86 PolarHBondContact O-N 3.32Å |
| 83 | G | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -34.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114 | N79 D80 Y81 R85 E86 V87 | N79-G83 PolarHBondContact O-N 2.93Å; D80-G83 PolarHBondContact O-N 3.43Å; Y81-G83 VanDerWaalsContact C-N 3.28Å; Y81-G83 PolarHBondContact O-N 3.46Å; G83-R85 VanDerWaalsContact C-N 3.34Å; G83-E86 WeakPolarHBondContact O-CB 3.4Å; G83-E86 PolarHBondContact O-N 2.9Å; G83-V87 WeakPolarHBondContact O-CG2 3.47Å; G83-V87 PolarHBondContact O-N 2.87Å; G83-V87 VanDerWaalsContact O-N 3.07Å |
| 84 | Q | 98.6 | Very high | 98.3 | Very high | 34 Ų | 34 | 39 Ų | 39 | 16% | 0.159 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.9 | -32.2 | 172.3 | -62.9 | -47 | -56.8 | 0 | 0 | 112.6 | D80 Y81 A82 V87 V88 V239 I242 I243 | D80-Q84 PolarHBondContact O-N 3.26Å; Y81-Q84 WeakPolarHBondContact O-CB 3.44Å; Y81-Q84 PolarHBondContact O-N 2.91Å; A82-Q84 VanDerWaalsContact C-N 3.31Å; A82-Q84 PolarHBondContact O-N 2.83Å; Q84-V87 PolarHBondContact O-N 3.32Å; Q84-V88 PolarHBondContact O-N 2.98Å; Q84-V88 VanDerWaalsContact O-N 3.1Å; Q84-V239 HydrophobicContact CB-CB 4.15Å; Q84-V239 HydrophobicContact CB-CG1 4.3Å; Q84-I242 HydrophobicContact CG-CB 3.97Å; Q84-I242 HydrophobicContact CG-CG2 3.69Å; Q84-I243 HydrophobicContact CB-CD1 4.44Å; Q84-I243 HydrophobicContact CB-CG1 4.03Å; Q84-I243 HydrophobicContact CG-CG1 4.41Å |
| 85 | R | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.5 | -37 | 174.1 | -60.4 | -42.1 | -60.6 | 169.9 | 2.3 | 112.1 | E39 Y42 A43 Y81 A82 G83 V87 V88 A89 E236 | E39-R85 WeakPolarHBondContact CG-O 3.36Å; E39-R85 WeakPolarHBondContact OE1-CB 3.16Å; E39-R85 IonicContact OE1-CZ 3.47Å; E39-R85 VanDerWaalsContact OE1-CZ 3.3Å; E39-R85 IonicContact OE1-NE 2.72Å; E39-R85 PolarHBondContact OE1-NE 3.5Å; E39-R85 IonicContact OE1-NH2 3.5Å; E39-R85 PolarHBondContact OE1-NH2 2.99Å; E39-R85 VanDerWaalsContact OE1-NH2 3.11Å; E39-R85 IonicContact OE2-CZ 2.66Å; E39-R85 IonicContact OE2-NE 3.52Å; E39-R85 IonicContact OE2-NH2 3.44Å; E39-R85 PolarHBondContact OE2-NH2 3.29Å; Y42-R85 HydrophobicContact CD1-CG 4.24Å; Y42-R85 HydrophobicContact CE1-CG 4.02Å; A43-R85 HydrophobicContact CB-CB 3.8Å; Y81-R85 HydrophobicContact CD1-CG 4.1Å; Y81-R85 HydrophobicContact CE1-CG 3.68Å; Y81-R85 PolarHBondContact O-N 3.25Å; Y81-R85 VanDerWaalsContact O-N 3.11Å; A82-R85 WeakPolarHBondContact O-CB 3.45Å; A82-R85 PolarHBondContact O-N 2.87Å; A82-R85 VanDerWaalsContact O-N 3.08Å; G83-R85 VanDerWaalsContact C-N 3.34Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 3.13Å; R85-V88 PolarHBondContact O-N 3.42Å; R85-A89 PolarHBondContact O-N 2.95Å; R85-A89 VanDerWaalsContact O-N 3.12Å; R85-E236 IonicContact CZ-OE2 2.84Å; R85-E236 VanDerWaalsContact CZ-OE2 3.28Å; R85-E236 IonicContact NH1-OE2 2.67Å; R85-E236 PolarHBondContact NH1-OE2 2.77Å; R85-E236 IonicContact NH2-OE1 3.42Å; R85-E236 PolarHBondContact NH2-OE1 3Å; R85-E236 VanDerWaalsContact NH2-OE1 3.14Å; R85-E236 IonicContact NH2-OE2 2.61Å; R85-E236 PolarHBondContact NH2-OE2 2.71Å |
| 86 | E | 98.5 | Very high | 98.3 | Very high | 63 Ų | 63 | 41 Ų | 41 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 167.7 | -71 | 159.3 | -170 | 0 | 0 | 111.8 | A43 R47 A82 G83 V88 A89 E90 | A43-E86 HydrophobicContact CB-CG 3.79Å; R47-E86 VanDerWaalsContact CG-OE1 3.31Å; R47-E86 WeakPolarHBondContact CG-OE1 3.34Å; R47-E86 IonicContact CZ-OE1 2.71Å; R47-E86 IonicContact CZ-OE2 3.78Å; R47-E86 IonicContact NE-OE1 3.26Å; R47-E86 PolarHBondContact NE-OE1 2.95Å; R47-E86 IonicContact NE-OE2 2.66Å; R47-E86 PolarHBondContact NE-OE2 3.11Å; R47-E86 IonicContact NH2-OE1 3.17Å; R47-E86 IonicContact NH2-OE2 3.14Å; R47-E86 PolarHBondContact NH2-OE2 3.45Å; A82-E86 PolarHBondContact O-N 3.32Å; G83-E86 WeakPolarHBondContact O-CB 3.4Å; G83-E86 PolarHBondContact O-N 2.9Å; E86-V88 PolarHBondContact O-N 2.8Å; E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 3.4Å; E86-E90 PolarHBondContact O-N 3.38Å |
| 87 | V | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.376 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64 | -36.4 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 112.9 | G83 Q84 R85 E90 E91 V239 | G83-V87 WeakPolarHBondContact O-CG2 3.47Å; G83-V87 PolarHBondContact O-N 2.87Å; G83-V87 VanDerWaalsContact O-N 3.07Å; Q84-V87 PolarHBondContact O-N 3.32Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 3.13Å; V87-E90 PolarHBondContact O-N 2.84Å; V87-E91 PolarHBondContact O-N 3.04Å; V87-V239 HydrophobicContact CB-CG1 4.4Å; V87-V239 HydrophobicContact CG1-CG1 4.07Å |
| 88 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 172.6 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | E39 Q84 R85 E86 E91 M92 A235 E236 V239 | E39-V88 HydrophobicContact CG-CB 4.44Å; E39-V88 HydrophobicContact CG-CG1 4.42Å; Q84-V88 PolarHBondContact O-N 2.98Å; Q84-V88 VanDerWaalsContact O-N 3.1Å; R85-V88 PolarHBondContact O-N 3.42Å; E86-V88 PolarHBondContact O-N 2.8Å; V88-E91 PolarHBondContact O-N 3Å; V88-M92 HydrophobicContact CG1-CE 3.73Å; V88-M92 HydrophobicContact CG1-CG 4.36Å; V88-M92 HydrophobicContact CG1-SD 4.18Å; V88-M92 WeakPolarHBondContact O-CB 3.22Å; V88-M92 WeakPolarHBondContact O-CG 3.37Å; V88-M92 PolarHBondContact O-N 2.75Å; V88-A235 HydrophobicContact CG1-CB 4.48Å; V88-E236 HydrophobicContact CG1-CG 4.3Å; V88-V239 HydrophobicContact CG2-CB 4.21Å; V88-V239 HydrophobicContact CG2-CG1 3.81Å; V88-V239 HydrophobicContact CG2-CG2 3.36Å |
| 89 | A | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L36 E39 Q40 R85 E86 E91 M92 S93 | L36-A89 HydrophobicContact CD1-CB 3.57Å; L36-A89 WeakPolarHBondContact CD1-O 3.48Å; E39-A89 HydrophobicContact CB-CB 4.16Å; E39-A89 HydrophobicContact CG-CB 4.07Å; Q40-A89 HydrophobicContact CG-CB 3.63Å; R85-A89 PolarHBondContact O-N 2.95Å; R85-A89 VanDerWaalsContact O-N 3.12Å; E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 3.4Å; A89-E91 PolarHBondContact O-N 2.79Å; A89-M92 PolarHBondContact O-N 3.04Å; A89-S93 VanDerWaalsContact O-CB 3.32Å; A89-S93 WeakPolarHBondContact O-CB 3.13Å; A89-S93 PolarHBondContact O-N 2.92Å |
| 90 | E | 97.8 | Very high | 98.2 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 178.5 | -71.5 | -175 | 175.5 | 0 | 0 | 112.9 | E86 V87 S93 H94 | E86-E90 PolarHBondContact O-N 3.38Å; V87-E90 PolarHBondContact O-N 2.84Å; E90-S93 PolarHBondContact O-N 2.98Å; E90-H94 WeakPolarHBondContact O-CB 3.28Å; E90-H94 PolarHBondContact O-N 2.75Å; E90-H94 PolarHBondContact O-ND1 3.15Å |
| 91 | E | 97.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 41 Ų | 41 | 20% | 0.201 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -37 | 177.1 | -83.1 | -72 | 101.5 | 0 | 0 | 112.5 | V87 V88 A89 K95 A235 R238 | V87-E91 PolarHBondContact O-N 3.04Å; V88-E91 PolarHBondContact O-N 3Å; A89-E91 PolarHBondContact O-N 2.79Å; E91-K95 VanDerWaalsContact CD-CE 3.43Å; E91-K95 VanDerWaalsContact O-CB 3.25Å; E91-K95 WeakPolarHBondContact O-CB 3.41Å; E91-K95 WeakPolarHBondContact O-CG 3.47Å; E91-K95 PolarHBondContact O-N 3.14Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 2.65Å; E91-K95 VanDerWaalsContact OE2-CE 3.28Å; E91-K95 WeakPolarHBondContact OE2-CE 3.12Å; E91-K95 VanDerWaalsContact OE2-CG 3.28Å; E91-K95 WeakPolarHBondContact OE2-CG 3.26Å; E91-A235 HydrophobicContact CB-CB 3.96Å; E91-R238 IonicContact OE2-CZ 2.89Å; E91-R238 IonicContact OE2-NH1 3.75Å; E91-R238 PolarHBondContact OE2-NH1 2.86Å |
| 92 | M | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 172.6 | -75.1 | -171.1 | -178.8 | 0 | 0 | 111.7 | R35 V88 A89 V96 Y97 F232 A235 E236 | R35-M92 HydrophobicContact CG-SD 4.08Å; V88-M92 HydrophobicContact CG1-CE 3.73Å; V88-M92 HydrophobicContact CG1-CG 4.36Å; V88-M92 HydrophobicContact CG1-SD 4.18Å; V88-M92 WeakPolarHBondContact O-CB 3.22Å; V88-M92 WeakPolarHBondContact O-CG 3.37Å; V88-M92 PolarHBondContact O-N 2.75Å; A89-M92 PolarHBondContact O-N 3.04Å; M92-V96 VanDerWaalsContact O-CB 3.29Å; M92-V96 WeakPolarHBondContact O-CB 3.48Å; M92-V96 PolarHBondContact O-N 3.02Å; M92-Y97 PolarHBondContact O-N 3.41Å; M92-F232 HydrophobicContact CE-CD2 4.01Å; M92-F232 HydrophobicContact CE-CE1 4.42Å; M92-F232 HydrophobicContact CE-CE2 3.75Å; M92-F232 HydrophobicContact CE-CG 4.46Å; M92-F232 HydrophobicContact CE-CZ 3.98Å; M92-F232 HydrophobicContact CG-CD2 4.39Å; M92-F232 HydrophobicContact SD-CD2 4.07Å; M92-F232 HydrophobicContact SD-CE2 3.77Å; M92-F232 HydrophobicContact SD-CZ 4.48Å; M92-A235 HydrophobicContact CE-CB 4.48Å; M92-A235 HydrophobicContact CG-CB 3.9Å; M92-E236 HydrophobicContact CE-CG 3.8Å |
| 93 | S | 98.3 | Very high | 98.2 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -59.1 | -53.3 | 175.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | A89 E90 N98 | A89-S93 VanDerWaalsContact O-CB 3.32Å; A89-S93 WeakPolarHBondContact O-CB 3.13Å; A89-S93 PolarHBondContact O-N 2.92Å; E90-S93 PolarHBondContact O-N 2.98Å; S93-N98 WeakPolarHBondContact O-CB 3.48Å; S93-N98 VanDerWaalsContact O-CG 3.27Å; S93-N98 PolarHBondContact O-N 2.86Å; S93-N98 PolarHBondContact O-ND2 2.87Å; S93-N98 PolarHBondContact OG-ND2 3.22Å |
| 94 | H | 97.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -77.3 | -45.6 | -174.1 | -63.5 | 122.5 | 0 | 0 | 0 | 114.3 | E90 | E90-H94 WeakPolarHBondContact O-CB 3.28Å; E90-H94 PolarHBondContact O-N 2.75Å; E90-H94 PolarHBondContact O-ND1 3.15Å |
| 95 | K | 97.1 | Very high | 98.2 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -90 | -14.7 | -171.4 | -51.4 | -59.1 | 176.1 | 179.7 | 0 | 114.3 | E91 | E91-K95 VanDerWaalsContact CD-CE 3.43Å; E91-K95 VanDerWaalsContact O-CB 3.25Å; E91-K95 WeakPolarHBondContact O-CB 3.41Å; E91-K95 WeakPolarHBondContact O-CG 3.47Å; E91-K95 PolarHBondContact O-N 3.14Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 2.65Å; E91-K95 VanDerWaalsContact OE2-CE 3.28Å; E91-K95 WeakPolarHBondContact OE2-CE 3.12Å; E91-K95 VanDerWaalsContact OE2-CG 3.28Å; E91-K95 WeakPolarHBondContact OE2-CG 3.26Å |
| 96 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -121.9 | -67.8 | -175.7 | -165.1 | 0 | 0 | 0 | 0 | 109.9 | Y28 V32 M92 L100 F232 | Y28-V96 HydrophobicContact CE1-CG1 4.08Å; V32-V96 HydrophobicContact CB-CG1 4.35Å; V32-V96 HydrophobicContact CG1-CB 3.94Å; V32-V96 HydrophobicContact CG1-CG1 3.78Å; V32-V96 HydrophobicContact CG2-CG1 3.75Å; M92-V96 VanDerWaalsContact O-CB 3.29Å; M92-V96 WeakPolarHBondContact O-CB 3.48Å; M92-V96 PolarHBondContact O-N 3.02Å; V96-L100 HydrophobicContact CG1-CD1 3.97Å; V96-L100 WeakPolarHBondContact O-CB 3.32Å; V96-L100 WeakPolarHBondContact O-CD1 3.38Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 3.05Å; V96-F232 HydrophobicContact CG1-CB 4.34Å; V96-F232 HydrophobicContact CG2-CB 4.09Å |
| 97 | Y | 98.6 | Very high | 98.1 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -64.3 | -58.1 | -172.5 | 176.3 | -111.1 | 0 | 0 | 0 | 113.5 | A29 K33 M92 E99 L100 M101 | A29-Y97 HydrophobicContact CB-CD2 4.22Å; A29-Y97 HydrophobicContact CB-CE2 4.38Å; A29-Y97 VanDerWaalsContact O-CD2 3.32Å; A29-Y97 WeakPolarHBondContact O-CD2 3.29Å; K33-Y97 HydrophobicContact CB-CD2 3.87Å; K33-Y97 HydrophobicContact CB-CE2 3.74Å; K33-Y97 HydrophobicContact CB-CG 4.49Å; K33-Y97 HydrophobicContact CD-CE1 4.46Å; K33-Y97 HydrophobicContact CG-CE2 4.29Å; M92-Y97 PolarHBondContact O-N 3.41Å; Y97-E99 VanDerWaalsContact C-N 3.3Å; Y97-E99 PolarHBondContact O-N 3.41Å; Y97-L100 PolarHBondContact O-N 2.98Å; Y97-M101 HydrophobicContact CD2-CG 4.06Å; Y97-M101 HydrophobicContact CE1-CG 4.29Å; Y97-M101 HydrophobicContact CE2-CG 3.6Å; Y97-M101 HydrophobicContact CE2-SD 4.05Å; Y97-M101 WeakPolarHBondContact O-CG 3.41Å; Y97-M101 PolarHBondContact O-N 3.13Å |
| 98 | N | 98.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -36.5 | -176.4 | -69.3 | -29.3 | 0 | 0 | 0 | 112.1 | S93 M101 R102 | S93-N98 WeakPolarHBondContact O-CB 3.48Å; S93-N98 VanDerWaalsContact O-CG 3.27Å; S93-N98 PolarHBondContact O-N 2.86Å; S93-N98 PolarHBondContact O-ND2 2.87Å; S93-N98 PolarHBondContact OG-ND2 3.22Å; N98-M101 PolarHBondContact O-N 2.97Å; N98-R102 WeakPolarHBondContact O-CB 3.25Å; N98-R102 PolarHBondContact O-N 3.09Å |
| 99 | E | 97.9 | Very high | 98.2 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 21% | 0.206 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 176.4 | 177.8 | 66 | 169.4 | 0 | 0 | 112.3 | Y97 R102 Y103 K224 | Y97-E99 VanDerWaalsContact C-N 3.3Å; Y97-E99 PolarHBondContact O-N 3.41Å; E99-R102 IonicContact OE1-NH2 2.7Å; E99-R102 PolarHBondContact OE1-NH2 3.07Å; E99-R102 IonicContact OE2-CZ 3.49Å; E99-R102 VanDerWaalsContact OE2-CZ 3.26Å; E99-R102 IonicContact OE2-NE 3.56Å; E99-R102 PolarHBondContact OE2-NE 2.95Å; E99-R102 IonicContact OE2-NH2 3.87Å; E99-R102 PolarHBondContact OE2-NH2 2.76Å; E99-Y103 WeakPolarHBondContact O-CB 3.37Å; E99-Y103 PolarHBondContact O-N 3.01Å; E99-K224 WeakPolarHBondContact OE1-CE 3.4Å; E99-K224 IonicContact OE1-NZ 3.11Å; E99-K224 PolarHBondContact OE1-NZ 3.4Å |
| 100 | L | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 172.7 | -75.6 | 166.3 | 0 | 0 | 0 | 111.9 | L25 Y28 A29 V96 Y97 Y103 S104 L225 T228 | L25-L100 HydrophobicContact CD1-CD2 4.15Å; L25-L100 HydrophobicContact CD2-CB 4.37Å; L25-L100 HydrophobicContact CD2-CD2 3.94Å; L25-L100 HydrophobicContact CG-CD2 3.84Å; Y28-L100 HydrophobicContact CD1-CD1 3.5Å; Y28-L100 HydrophobicContact CD1-CD2 4.43Å; Y28-L100 HydrophobicContact CE1-CD1 3.66Å; A29-L100 HydrophobicContact CB-CB 4.01Å; A29-L100 HydrophobicContact CB-CD1 4.14Å; V96-L100 HydrophobicContact CG1-CD1 3.97Å; V96-L100 WeakPolarHBondContact O-CB 3.32Å; V96-L100 WeakPolarHBondContact O-CD1 3.38Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 3.05Å; Y97-L100 PolarHBondContact O-N 2.98Å; L100-Y103 PolarHBondContact O-N 3.26Å; L100-S104 WeakPolarHBondContact O-CB 3.46Å; L100-S104 PolarHBondContact O-N 3.1Å; L100-L225 HydrophobicContact CD2-CD1 4.36Å; L100-T228 HydrophobicContact CD2-CG2 3.96Å; L100-T228 HydrophobicContact CG-CG2 4.01Å |
| 101 | M | 98 | Very high | 98.2 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -43.2 | -179.2 | -70.4 | -57.7 | -65.3 | 0 | 0 | 111.9 | A29 Y97 N98 Q105 | A29-M101 HydrophobicContact CB-SD 3.95Å; Y97-M101 HydrophobicContact CD2-CG 4.06Å; Y97-M101 HydrophobicContact CE1-CG 4.29Å; Y97-M101 HydrophobicContact CE2-CG 3.6Å; Y97-M101 HydrophobicContact CE2-SD 4.05Å; Y97-M101 WeakPolarHBondContact O-CG 3.41Å; Y97-M101 PolarHBondContact O-N 3.13Å; N98-M101 PolarHBondContact O-N 2.97Å; M101-Q105 PolarHBondContact O-N 3.25Å |
| 102 | R | 98.3 | Very high | 98.3 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -52.6 | 172.6 | -177.4 | -173.3 | 68.9 | 76.9 | 0.8 | 111.1 | N98 E99 S104 Q105 E106 | N98-R102 WeakPolarHBondContact O-CB 3.25Å; N98-R102 PolarHBondContact O-N 3.09Å; E99-R102 IonicContact OE1-NH2 2.7Å; E99-R102 PolarHBondContact OE1-NH2 3.07Å; E99-R102 IonicContact OE2-CZ 3.49Å; E99-R102 VanDerWaalsContact OE2-CZ 3.26Å; E99-R102 IonicContact OE2-NE 3.56Å; E99-R102 PolarHBondContact OE2-NE 2.95Å; E99-R102 IonicContact OE2-NH2 3.87Å; E99-R102 PolarHBondContact OE2-NH2 2.76Å; R102-S104 VanDerWaalsContact C-N 3.33Å; R102-S104 PolarHBondContact O-N 3.15Å; R102-Q105 PolarHBondContact O-N 3.48Å; R102-E106 WeakPolarHBondContact CG-OE1 3.24Å; R102-E106 IonicContact CZ-OE1 2.69Å; R102-E106 IonicContact CZ-OE2 3.59Å; R102-E106 IonicContact NH1-OE1 3.89Å; R102-E106 PolarHBondContact NH1-OE1 3.03Å; R102-E106 IonicContact NH1-OE2 3.47Å; R102-E106 PolarHBondContact NH1-OE2 3.43Å; R102-E106 PolarHBondContact O-N 2.66Å |
| 103 | Y | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -30.3 | -176 | -177 | -117.2 | 0 | 0 | 0 | 113.3 | L25 E99 L100 E106 L107 R220 R221 K224 | L25-Y103 HydrophobicContact CD1-CD1 4.11Å; L25-Y103 HydrophobicContact CD1-CE1 4.29Å; E99-Y103 WeakPolarHBondContact O-CB 3.37Å; E99-Y103 PolarHBondContact O-N 3.01Å; L100-Y103 PolarHBondContact O-N 3.26Å; Y103-E106 PolarHBondContact O-N 2.78Å; Y103-L107 HydrophobicContact CD1-CD1 3.82Å; Y103-L107 HydrophobicContact CD1-CG 4.36Å; Y103-L107 HydrophobicContact CE1-CD1 3.39Å; Y103-L107 HydrophobicContact CE1-CD2 4.49Å; Y103-L107 HydrophobicContact CE1-CG 3.95Å; Y103-L107 HydrophobicContact CE2-CD1 4.46Å; Y103-L107 HydrophobicContact CE2-CD2 4.41Å; Y103-L107 HydrophobicContact CE2-CG 4.11Å; Y103-L107 WeakPolarHBondContact O-CB 3.42Å; Y103-L107 WeakPolarHBondContact O-CG 3.35Å; Y103-L107 PolarHBondContact O-N 3.19Å; Y103-R220 PolarHBondContact OH-O 3.4Å; Y103-R221 WeakPolarHBondContact OH-CA 3.44Å; Y103-R221 PolarHBondContact OH-N 3.38Å; Y103-K224 HydrophobicContact CD1-CB 4.16Å; Y103-K224 HydrophobicContact CD1-CG 3.54Å; Y103-K224 HydrophobicContact CE1-CB 3.52Å; Y103-K224 HydrophobicContact CE1-CG 3.43Å; Y103-K224 VanDerWaalsContact CE1-CG 3.43Å; Y103-K224 HydrophobicContact CG-CG 4.14Å |
| 104 | S | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 172 | -175.9 | 0 | 0 | 0 | 0 | 112 | E26 L100 R102 L107 K108 | E26-S104 VanDerWaalsContact CG-OG 3.31Å; E26-S104 WeakPolarHBondContact CG-OG 3.38Å; E26-S104 PolarHBondContact OE1-OG 2.84Å; L100-S104 WeakPolarHBondContact O-CB 3.46Å; L100-S104 PolarHBondContact O-N 3.1Å; R102-S104 VanDerWaalsContact C-N 3.33Å; R102-S104 PolarHBondContact O-N 3.15Å; S104-L107 PolarHBondContact O-N 3.47Å; S104-K108 WeakPolarHBondContact O-CB 3.37Å; S104-K108 VanDerWaalsContact O-CG 3.3Å; S104-K108 WeakPolarHBondContact O-CG 3.33Å; S104-K108 PolarHBondContact O-N 3.27Å |
| 105 | Q | 98.3 | Very high | 98.4 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 179.1 | -59.5 | -59.1 | -24.3 | 0 | 0 | 111.8 | M101 R102 K108 A109 | M101-Q105 PolarHBondContact O-N 3.25Å; R102-Q105 PolarHBondContact O-N 3.48Å; Q105-K108 PolarHBondContact O-N 3.24Å; Q105-A109 PolarHBondContact O-N 2.94Å |
| 106 | E | 98.3 | Very high | 98.5 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 174 | -71 | 165.6 | -168.8 | 0 | 0 | 111.4 | R102 Y103 A109 E110 | R102-E106 WeakPolarHBondContact CG-OE1 3.24Å; R102-E106 IonicContact CZ-OE1 2.69Å; R102-E106 IonicContact CZ-OE2 3.59Å; R102-E106 IonicContact NH1-OE1 3.89Å; R102-E106 PolarHBondContact NH1-OE1 3.03Å; R102-E106 IonicContact NH1-OE2 3.47Å; R102-E106 PolarHBondContact NH1-OE2 3.43Å; R102-E106 PolarHBondContact O-N 2.66Å; Y103-E106 PolarHBondContact O-N 2.78Å; E106-A109 PolarHBondContact O-N 3.25Å; E106-E110 WeakPolarHBondContact O-CB 3.37Å; E106-E110 PolarHBondContact O-N 3.43Å |
| 107 | L | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.2 | -78.2 | 175.1 | 0 | 0 | 0 | 113 | I22 L25 Y103 S104 A109 E110 R111 M217 R221 | I22-L107 HydrophobicContact CD1-CB 4.13Å; I22-L107 HydrophobicContact CG1-CB 4.4Å; L25-L107 HydrophobicContact CD1-CD1 4.31Å; Y103-L107 HydrophobicContact CD1-CD1 3.82Å; Y103-L107 HydrophobicContact CD1-CG 4.36Å; Y103-L107 HydrophobicContact CE1-CD1 3.39Å; Y103-L107 HydrophobicContact CE1-CD2 4.49Å; Y103-L107 HydrophobicContact CE1-CG 3.95Å; Y103-L107 HydrophobicContact CE2-CD1 4.46Å; Y103-L107 HydrophobicContact CE2-CD2 4.41Å; Y103-L107 HydrophobicContact CE2-CG 4.11Å; Y103-L107 WeakPolarHBondContact O-CB 3.42Å; Y103-L107 WeakPolarHBondContact O-CG 3.35Å; Y103-L107 PolarHBondContact O-N 3.19Å; S104-L107 PolarHBondContact O-N 3.47Å; L107-A109 VanDerWaalsContact C-N 3.28Å; L107-A109 PolarHBondContact O-N 2.94Å; L107-E110 PolarHBondContact O-N 2.95Å; L107-R111 WeakPolarHBondContact O-CB 3.37Å; L107-R111 PolarHBondContact O-N 3.45Å; L107-M217 HydrophobicContact CD2-CG 3.6Å; L107-M217 HydrophobicContact CD2-SD 4.46Å; L107-R221 HydrophobicContact CD1-CB 3.8Å; L107-R221 HydrophobicContact CD1-CG 3.67Å; L107-R221 HydrophobicContact CD2-CB 4.39Å |
| 108 | K | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 27% | 0.27 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 177 | -78 | 174.4 | 175.6 | 178.7 | 0 | 111.5 | I22 E26 S104 Q105 K112 | I22-K108 HydrophobicContact CD1-CG 4.13Å; I22-K108 HydrophobicContact CG2-CD 4.29Å; I22-K108 VanDerWaalsContact CG2-CE 3.4Å; I22-K108 HydrophobicContact CG2-CG 3.94Å; E26-K108 WeakPolarHBondContact OE1-CE 3.45Å; E26-K108 IonicContact OE1-NZ 3.21Å; E26-K108 PolarHBondContact OE1-NZ 2.95Å; E26-K108 WeakPolarHBondContact OE2-CE 3.35Å; E26-K108 IonicContact OE2-NZ 2.71Å; E26-K108 PolarHBondContact OE2-NZ 3.46Å; S104-K108 WeakPolarHBondContact O-CB 3.37Å; S104-K108 VanDerWaalsContact O-CG 3.3Å; S104-K108 WeakPolarHBondContact O-CG 3.33Å; S104-K108 PolarHBondContact O-N 3.27Å; Q105-K108 PolarHBondContact O-N 3.24Å; K108-K112 VanDerWaalsContact O-CB 3.23Å; K108-K112 WeakPolarHBondContact O-CB 3.41Å; K108-K112 PolarHBondContact O-N 3.27Å; K108-K112 VanDerWaalsContact O-N 3.16Å |
| 109 | A | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q105 E106 L107 K112 H113 | Q105-A109 PolarHBondContact O-N 2.94Å; E106-A109 PolarHBondContact O-N 3.25Å; L107-A109 VanDerWaalsContact C-N 3.28Å; L107-A109 PolarHBondContact O-N 2.94Å; A109-K112 PolarHBondContact O-N 3.49Å; A109-H113 PolarHBondContact O-N 3.46Å |
| 110 | E | 98.8 | Very high | 98.5 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 179.2 | -175 | 170.1 | -151.6 | 0 | 0 | 111.8 | E106 L107 K112 H113 H114 M217 R220 | E106-E110 WeakPolarHBondContact O-CB 3.37Å; E106-E110 PolarHBondContact O-N 3.43Å; L107-E110 PolarHBondContact O-N 2.95Å; E110-K112 PolarHBondContact O-N 3.41Å; E110-H113 PolarHBondContact O-N 3.39Å; E110-H114 PolarHBondContact O-N 2.97Å; E110-H114 IonicContact OE1-NE2 2.88Å; E110-M217 HydrophobicContact CB-SD 4.32Å; E110-M217 HydrophobicContact CG-CG 4.23Å; E110-M217 HydrophobicContact CG-SD 4.11Å; E110-R220 VanDerWaalsContact CD-NH2 3.28Å; E110-R220 IonicContact OE1-CZ 2.69Å; E110-R220 IonicContact OE1-NH1 2.87Å; E110-R220 PolarHBondContact OE1-NH1 2.88Å; E110-R220 IonicContact OE1-NH2 2.7Å; E110-R220 PolarHBondContact OE1-NH2 3.15Å; E110-R220 IonicContact OE2-CZ 2.74Å; E110-R220 IonicContact OE2-NH1 3.79Å; E110-R220 PolarHBondContact OE2-NH1 3.05Å; E110-R220 IonicContact OE2-NH2 2.95Å; E110-R220 PolarHBondContact OE2-NH2 2.98Å |
| 111 | R | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.1 | -49.7 | 174.4 | -179.8 | -178.2 | 176.6 | -82.4 | -20.4 | 111.6 | D15 T18 I22 L107 H113 H114 L115 M217 | D15-R111 VanDerWaalsContact C-NH2 3.35Å; D15-R111 PolarHBondContact O-NH2 2.95Å; D15-R111 IonicContact OD1-CZ 2.78Å; D15-R111 IonicContact OD1-NH2 3.47Å; D15-R111 PolarHBondContact OD1-NH2 3.37Å; T18-R111 PolarHBondContact OG1-NE 3.38Å; I22-R111 HydrophobicContact CD1-CB 4.38Å; L107-R111 WeakPolarHBondContact O-CB 3.37Å; L107-R111 PolarHBondContact O-N 3.45Å; R111-H113 VanDerWaalsContact C-N 3.32Å; R111-H113 PolarHBondContact O-N 3.19Å; R111-H114 PolarHBondContact O-N 2.96Å; R111-L115 HydrophobicContact CG-CD1 3.77Å; R111-L115 VanDerWaalsContact CZ-CD1 3.47Å; R111-L115 VanDerWaalsContact NH2-CD1 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.41Å; R111-L115 WeakPolarHBondContact O-CG 3.2Å; R111-L115 PolarHBondContact O-N 3.19Å; R111-M217 VanDerWaalsContact CA-SD 3.53Å; R111-M217 HydrophobicContact CB-CE 3.94Å; R111-M217 HydrophobicContact CB-SD 3.68Å; R111-M217 HydrophobicContact CG-CE 4.13Å; R111-M217 HydrophobicContact CG-SD 4.49Å; R111-M217 PolarHBondContact N-SD 2.89Å |
| 112 | K | 98.8 | Very high | 98.5 | Very high | 150 Ų | 150 | 61 Ų | 61 | 65% | 0.652 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 179.6 | -179.2 | 179.4 | 178.2 | -178.8 | 0 | 111.6 | K108 A109 E110 Q116 | K108-K112 VanDerWaalsContact O-CB 3.23Å; K108-K112 WeakPolarHBondContact O-CB 3.41Å; K108-K112 PolarHBondContact O-N 3.27Å; K108-K112 VanDerWaalsContact O-N 3.16Å; A109-K112 PolarHBondContact O-N 3.49Å; E110-K112 PolarHBondContact O-N 3.41Å; K112-Q116 VanDerWaalsContact O-CB 3.3Å; K112-Q116 WeakPolarHBondContact O-CB 3.4Å; K112-Q116 PolarHBondContact O-N 2.7Å |
| 113 | H | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 61.9 Ų | 61.9 | 45% | 0.454 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.4 | -51.3 | 176.5 | 170.2 | 45.1 | 0 | 0 | 0 | 111.8 | A109 E110 R111 L115 Q116 E117 | A109-H113 PolarHBondContact O-N 3.46Å; E110-H113 PolarHBondContact O-N 3.39Å; R111-H113 VanDerWaalsContact C-N 3.32Å; R111-H113 PolarHBondContact O-N 3.19Å; H113-L115 PolarHBondContact O-N 2.63Å; H113-Q116 WeakPolarHBondContact O-CB 3.44Å; H113-Q116 PolarHBondContact O-N 3.35Å; H113-Q116 VanDerWaalsContact O-N 3.14Å; H113-E117 IonicContact CE1-OE1 2.66Å; H113-E117 IonicContact ND1-OE1 2.77Å; H113-E117 PolarHBondContact O-N 3.14Å |
| 114 | H | 98.7 | Very high | 98.5 | Very high | 17 Ų | 17 | 66 Ų | 66 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | -179 | -64.9 | -18 | 0 | 0 | 0 | 113.1 | E110 R111 Q116 E117 G118 I210 L214 | E110-H114 PolarHBondContact O-N 2.97Å; E110-H114 IonicContact OE1-NE2 2.88Å; R111-H114 PolarHBondContact O-N 2.96Å; H114-Q116 VanDerWaalsContact C-N 3.32Å; H114-Q116 PolarHBondContact O-N 2.96Å; H114-E117 PolarHBondContact O-N 3.46Å; H114-G118 PolarHBondContact O-N 2.84Å; H114-I210 WeakPolarHBondContact O-CG2 3.4Å; H114-L214 HydrophobicContact CB-CD2 3.61Å; H114-L214 HydrophobicContact CB-CG 3.93Å |
| 115 | L | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 174.6 | -67.5 | 169.5 | 0 | 0 | 0 | 112 | F11 D15 R111 H113 G118 R119 L214 | F11-L115 HydrophobicContact CE1-CD2 4.12Å; F11-L115 HydrophobicContact CE2-CD2 4.11Å; F11-L115 HydrophobicContact CZ-CB 4.26Å; F11-L115 HydrophobicContact CZ-CD2 3.57Å; D15-L115 HydrophobicContact CB-CD2 4.16Å; R111-L115 HydrophobicContact CG-CD1 3.77Å; R111-L115 VanDerWaalsContact CZ-CD1 3.47Å; R111-L115 VanDerWaalsContact NH2-CD1 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.41Å; R111-L115 WeakPolarHBondContact O-CG 3.2Å; R111-L115 PolarHBondContact O-N 3.19Å; H113-L115 PolarHBondContact O-N 2.63Å; L115-G118 PolarHBondContact O-N 2.79Å; L115-R119 VanDerWaalsContact O-CG 3.3Å; L115-R119 WeakPolarHBondContact O-CG 3.4Å; L115-R119 PolarHBondContact O-N 2.98Å; L115-L214 HydrophobicContact CD2-CD1 4.02Å; L115-L214 HydrophobicContact CG-CD2 4.43Å |
| 116 | Q | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 174.4 | -171.4 | 174 | 8 | 0 | 0 | 112 | K112 H113 H114 R119 K120 | K112-Q116 VanDerWaalsContact O-CB 3.3Å; K112-Q116 WeakPolarHBondContact O-CB 3.4Å; K112-Q116 PolarHBondContact O-N 2.7Å; H113-Q116 WeakPolarHBondContact O-CB 3.44Å; H113-Q116 PolarHBondContact O-N 3.35Å; H113-Q116 VanDerWaalsContact O-N 3.14Å; H114-Q116 VanDerWaalsContact C-N 3.32Å; H114-Q116 PolarHBondContact O-N 2.96Å; Q116-R119 PolarHBondContact O-N 2.66Å; Q116-K120 WeakPolarHBondContact O-CG 3.37Å; Q116-K120 PolarHBondContact O-N 3.08Å |
| 117 | E | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 173.6 | -60.9 | -43.1 | 119.8 | 0 | 0 | 112.2 | H113 H114 K120 A121 I210 | H113-E117 IonicContact CE1-OE1 2.66Å; H113-E117 IonicContact ND1-OE1 2.77Å; H113-E117 PolarHBondContact O-N 3.14Å; H114-E117 PolarHBondContact O-N 3.46Å; E117-K120 VanDerWaalsContact CD-NZ 3.27Å; E117-K120 PolarHBondContact O-N 3.49Å; E117-K120 IonicContact OE1-NZ 3.8Å; E117-K120 PolarHBondContact OE1-NZ 3.29Å; E117-K120 WeakPolarHBondContact OE2-CD 3.49Å; E117-K120 IonicContact OE2-NZ 2.68Å; E117-K120 PolarHBondContact OE2-NZ 3.46Å; E117-A121 PolarHBondContact O-N 3.15Å; E117-I210 HydrophobicContact CB-CD1 4.14Å; E117-I210 HydrophobicContact CB-CG1 4.43Å |
| 118 | G | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H114 L115 K120 A121 Q122 | H114-G118 PolarHBondContact O-N 2.84Å; L115-G118 PolarHBondContact O-N 2.79Å; G118-K120 PolarHBondContact O-N 3.03Å; G118-A121 PolarHBondContact O-N 3.43Å; G118-A121 VanDerWaalsContact O-N 3.17Å; G118-Q122 WeakPolarHBondContact O-CG 3.22Å; G118-Q122 PolarHBondContact O-N 2.83Å |
| 119 | R | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 67.7 Ų | 67.7 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.3 | -69.2 | 173.7 | -169.7 | -155.7 | 4.3 | 112.1 | F11 D15 L115 Q116 Q122 Q123 | F11-R119 HydrophobicContact CE1-CG 4.02Å; F11-R119 HydrophobicContact CZ-CG 3.79Å; D15-R119 IonicContact OD2-CZ 2.86Å; D15-R119 IonicContact OD2-NH2 3.17Å; D15-R119 PolarHBondContact OD2-NH2 2.97Å; L115-R119 VanDerWaalsContact O-CG 3.3Å; L115-R119 WeakPolarHBondContact O-CG 3.4Å; L115-R119 PolarHBondContact O-N 2.98Å; Q116-R119 PolarHBondContact O-N 2.66Å; R119-Q122 PolarHBondContact O-N 3.39Å; R119-Q123 WeakPolarHBondContact O-CB 3.33Å; R119-Q123 WeakPolarHBondContact O-CG 3.34Å; R119-Q123 PolarHBondContact O-N 3.47Å |
| 120 | K | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 69 Ų | 69 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 170.7 | -73.2 | 170 | -178 | 170.7 | 0 | 111.7 | Q116 E117 G118 Q122 Q123 F124 | Q116-K120 WeakPolarHBondContact O-CG 3.37Å; Q116-K120 PolarHBondContact O-N 3.08Å; E117-K120 VanDerWaalsContact CD-NZ 3.27Å; E117-K120 PolarHBondContact O-N 3.49Å; E117-K120 IonicContact OE1-NZ 3.8Å; E117-K120 PolarHBondContact OE1-NZ 3.29Å; E117-K120 WeakPolarHBondContact OE2-CD 3.49Å; E117-K120 IonicContact OE2-NZ 2.68Å; E117-K120 PolarHBondContact OE2-NZ 3.46Å; G118-K120 PolarHBondContact O-N 3.03Å; K120-Q122 VanDerWaalsContact C-N 3.32Å; K120-Q122 PolarHBondContact O-N 3.17Å; K120-Q123 PolarHBondContact O-N 3.41Å; K120-F124 WeakPolarHBondContact O-CB 3.35Å; K120-F124 PolarHBondContact O-N 3.29Å |
| 121 | A | 98.3 | Very high | 98.5 | Very high | 17 Ų | 17 | 69.8 Ų | 69.8 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E117 G118 L125 H202 I210 | E117-A121 PolarHBondContact O-N 3.15Å; G118-A121 PolarHBondContact O-N 3.43Å; G118-A121 VanDerWaalsContact O-N 3.17Å; A121-L125 PolarHBondContact O-N 3.46Å; A121-H202 VanDerWaalsContact C-CE1 3.46Å; A121-H202 PolarHBondContact O-CE1 2.99Å; A121-H202 VanDerWaalsContact O-CE1 3.24Å; A121-H202 PolarHBondContact O-ND1 2.84Å; A121-I210 HydrophobicContact CB-CD1 4.33Å |
| 122 | Q | 98.1 | Very high | 98.5 | Very high | 70 Ų | 70 | 69.5 Ų | 69.5 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -48.5 | 173.6 | -70.9 | 168.5 | -28.7 | 0 | 0 | 111.9 | G118 R119 K120 F124 L125 D126 | G118-Q122 WeakPolarHBondContact O-CG 3.22Å; G118-Q122 PolarHBondContact O-N 2.83Å; R119-Q122 PolarHBondContact O-N 3.39Å; K120-Q122 VanDerWaalsContact C-N 3.32Å; K120-Q122 PolarHBondContact O-N 3.17Å; Q122-F124 VanDerWaalsContact C-N 3.29Å; Q122-F124 PolarHBondContact O-N 2.89Å; Q122-L125 PolarHBondContact O-N 3.06Å; Q122-D126 WeakPolarHBondContact O-CB 3.39Å; Q122-D126 PolarHBondContact O-N 3.47Å |
| 123 | Q | 98.5 | Very high | 98.5 | Very high | 130 Ų | 130 | 63.6 Ų | 63.6 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.7 | -36.9 | 177.7 | -73.4 | 169.4 | -3.6 | 0 | 0 | 112.5 | R119 K120 H127 | R119-Q123 WeakPolarHBondContact O-CB 3.33Å; R119-Q123 WeakPolarHBondContact O-CG 3.34Å; R119-Q123 PolarHBondContact O-N 3.47Å; K120-Q123 PolarHBondContact O-N 3.41Å; Q123-H127 WeakPolarHBondContact O-CB 3.44Å; Q123-H127 PolarHBondContact O-N 3.15Å |
| 124 | F | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 63.7 Ų | 63.7 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 174.7 | -178.7 | -106.6 | 0 | 0 | 0 | 112 | K120 Q122 H127 C128 E198 | K120-F124 WeakPolarHBondContact O-CB 3.35Å; K120-F124 PolarHBondContact O-N 3.29Å; Q122-F124 VanDerWaalsContact C-N 3.29Å; Q122-F124 PolarHBondContact O-N 2.89Å; F124-H127 WeakPolarHBondContact O-CB 3.37Å; F124-H127 PolarHBondContact O-N 3.08Å; F124-C128 PolarHBondContact O-N 2.84Å; F124-C128 PolarHBondContact O-SG 3.36Å; F124-C128 VanDerWaalsContact O-SG 3.42Å; F124-E198 HydrophobicContact CE1-CB 4.19Å; F124-E198 HydrophobicContact CE1-CG 3.96Å; F124-E198 HydrophobicContact CZ-CG 4.34Å |
| 125 | L | 98.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 178.3 | -175.9 | 62.6 | 0 | 0 | 0 | 112.3 | A121 Q122 H127 C128 W129 F195 Q199 H202 F203 | A121-L125 PolarHBondContact O-N 3.46Å; Q122-L125 PolarHBondContact O-N 3.06Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 2.9Å; L125-C128 PolarHBondContact O-N 2.96Å; L125-W129 WeakPolarHBondContact O-CB 3.5Å; L125-W129 PolarHBondContact O-N 3.32Å; L125-F195 HydrophobicContact CD1-CD2 4.12Å; L125-F195 HydrophobicContact CD1-CE2 3.55Å; L125-F195 HydrophobicContact CD1-CZ 4.34Å; L125-F195 HydrophobicContact CG-CE2 4.2Å; L125-Q199 HydrophobicContact CD1-CB 3.96Å; L125-H202 HydrophobicContact CD2-CB 4.02Å; L125-F203 HydrophobicContact CD2-CE2 3.94Å; L125-F203 HydrophobicContact CD2-CZ 4.12Å |
| 126 | D | 98.5 | Very high | 98.5 | Very high | 69 Ų | 69 | 66.4 Ų | 66.4 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 172.3 | 164.9 | 73.7 | 0 | 0 | 0 | 112 | Q122 W129 K130 | Q122-D126 WeakPolarHBondContact O-CB 3.39Å; Q122-D126 PolarHBondContact O-N 3.47Å; D126-W129 PolarHBondContact O-N 2.91Å; D126-K130 WeakPolarHBondContact O-CB 3.37Å; D126-K130 WeakPolarHBondContact O-CG 3.29Å; D126-K130 PolarHBondContact O-N 3.38Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.75Å; D126-K130 PolarHBondContact OD1-NZ 2.96Å; D126-K130 IonicContact OD2-NZ 3.32Å; D126-K130 PolarHBondContact OD2-NZ 2.64Å |
| 127 | H | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 174.1 | -176.9 | 80.7 | 0 | 0 | 0 | 112.1 | Q123 F124 L125 W129 K130 Q131 | Q123-H127 WeakPolarHBondContact O-CB 3.44Å; Q123-H127 PolarHBondContact O-N 3.15Å; F124-H127 WeakPolarHBondContact O-CB 3.37Å; F124-H127 PolarHBondContact O-N 3.08Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 2.9Å; H127-W129 VanDerWaalsContact C-N 3.34Å; H127-W129 PolarHBondContact O-N 3.44Å; H127-K130 PolarHBondContact O-N 2.92Å; H127-Q131 PolarHBondContact CD2-NE2 3.44Å; H127-Q131 PolarHBondContact NE2-NE2 3.22Å; H127-Q131 PolarHBondContact O-N 2.72Å |
| 128 | C | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 174.4 | -67.8 | 0 | 0 | 0 | 0 | 112 | F124 L125 Q131 M132 F195 | F124-C128 PolarHBondContact O-N 2.84Å; F124-C128 PolarHBondContact O-SG 3.36Å; F124-C128 VanDerWaalsContact O-SG 3.42Å; L125-C128 PolarHBondContact O-N 2.96Å; C128-Q131 PolarHBondContact O-N 3.38Å; C128-M132 PolarHBondContact O-N 3.11Å; C128-M132 VanDerWaalsContact O-N 3.11Å; C128-F195 HydrophobicContact CB-CD2 4.03Å |
| 129 | W | 98.8 | Very high | 98.6 | Very high | 111 Ų | 111 | 69.7 Ų | 69.7 | 42% | 0.42 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 174.8 | -178.1 | 76.4 | 0 | 0 | 0 | 111.4 | L125 D126 H127 Q131 M132 D133 F195 | L125-W129 WeakPolarHBondContact O-CB 3.5Å; L125-W129 PolarHBondContact O-N 3.32Å; D126-W129 PolarHBondContact O-N 2.91Å; H127-W129 VanDerWaalsContact C-N 3.34Å; H127-W129 PolarHBondContact O-N 3.44Å; W129-Q131 PolarHBondContact O-N 2.62Å; W129-M132 HydrophobicContact CG-CE 4.37Å; W129-M132 PolarHBondContact O-N 3.27Å; W129-D133 HydrophobicContact CD2-CB 4.49Å; W129-D133 HydrophobicContact CH2-CB 4.26Å; W129-D133 HydrophobicContact CZ2-CB 4.06Å; W129-D133 WeakPolarHBondContact O-CB 3.45Å; W129-D133 PolarHBondContact O-N 3.11Å; W129-F195 HydrophobicContact CB-CD2 4.07Å; W129-F195 HydrophobicContact CB-CE2 3.56Å; W129-F195 HydrophobicContact CB-CZ 4.17Å; W129-F195 AromaticContact CD1-CE2 3.99Å; W129-F195 AromaticContact CD1-CZ 3.74Å; W129-F195 HydrophobicContact CG-CE2 4.21Å; W129-F195 HydrophobicContact CG-CZ 4.36Å |
| 130 | K | 98.8 | Very high | 98.6 | Very high | 92 Ų | 92 | 67.2 Ų | 67.2 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -36 | 177.1 | -76.7 | 165.5 | 178.8 | 159.9 | 0 | 113 | D126 H127 N134 | D126-K130 WeakPolarHBondContact O-CB 3.37Å; D126-K130 WeakPolarHBondContact O-CG 3.29Å; D126-K130 PolarHBondContact O-N 3.38Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.75Å; D126-K130 PolarHBondContact OD1-NZ 2.96Å; D126-K130 IonicContact OD2-NZ 3.32Å; D126-K130 PolarHBondContact OD2-NZ 2.64Å; H127-K130 PolarHBondContact O-N 2.92Å; K130-N134 VanDerWaalsContact O-CB 3.23Å; K130-N134 WeakPolarHBondContact O-CB 3.43Å; K130-N134 PolarHBondContact O-N 2.74Å; K130-N134 PolarHBondContact O-ND2 3.5Å |
| 131 | Q | 98.5 | Very high | 98.6 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 172.6 | -68.1 | -166.6 | 22.1 | 0 | 0 | 111.3 | H127 C128 W129 N134 S135 | H127-Q131 PolarHBondContact CD2-NE2 3.44Å; H127-Q131 PolarHBondContact NE2-NE2 3.22Å; H127-Q131 PolarHBondContact O-N 2.72Å; C128-Q131 PolarHBondContact O-N 3.38Å; W129-Q131 PolarHBondContact O-N 2.62Å; Q131-N134 PolarHBondContact O-N 2.89Å; Q131-S135 PolarHBondContact O-N 2.99Å; Q131-S135 PolarHBondContact O-OG 3.03Å |
| 132 | M | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 179.8 | 179.3 | -78.2 | -60.2 | 0 | 0 | 112.3 | C128 W129 N134 S135 K136 Y188 Q191 L192 F195 | C128-M132 PolarHBondContact O-N 3.11Å; C128-M132 VanDerWaalsContact O-N 3.11Å; W129-M132 HydrophobicContact CG-CE 4.37Å; W129-M132 PolarHBondContact O-N 3.27Å; M132-N134 PolarHBondContact O-N 3.11Å; M132-S135 PolarHBondContact O-N 3.04Å; M132-S135 PolarHBondContact O-OG 3.38Å; M132-K136 WeakPolarHBondContact O-CB 3.39Å; M132-K136 PolarHBondContact O-N 3.32Å; M132-Y188 HydrophobicContact CG-CE2 4.31Å; M132-Y188 HydrophobicContact SD-CE2 3.96Å; M132-Q191 HydrophobicContact CB-CB 4.32Å; M132-L192 HydrophobicContact CG-CB 4.33Å; M132-L192 HydrophobicContact CG-CD1 4.25Å; M132-L192 HydrophobicContact SD-CD1 4.34Å; M132-F195 HydrophobicContact CB-CB 3.96Å; M132-F195 HydrophobicContact CB-CG 4.37Å; M132-F195 HydrophobicContact CE-CD1 3.94Å; M132-F195 HydrophobicContact CE-CE1 4.2Å; M132-F195 HydrophobicContact CE-CG 4.3Å; M132-F195 HydrophobicContact CG-CB 4.08Å; M132-F195 HydrophobicContact CG-CG 4.45Å |
| 133 | D | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 177.8 | 173.6 | 63.7 | 0 | 0 | 0 | 112.6 | W129 K136 K137 | W129-D133 HydrophobicContact CD2-CB 4.49Å; W129-D133 HydrophobicContact CH2-CB 4.26Å; W129-D133 HydrophobicContact CZ2-CB 4.06Å; W129-D133 WeakPolarHBondContact O-CB 3.45Å; W129-D133 PolarHBondContact O-N 3.11Å; D133-K136 WeakPolarHBondContact O-CB 3.24Å; D133-K136 PolarHBondContact O-N 2.96Å; D133-K137 WeakPolarHBondContact O-CB 3.39Å; D133-K137 VanDerWaalsContact O-CG 3.3Å; D133-K137 WeakPolarHBondContact O-CG 3.49Å; D133-K137 PolarHBondContact O-N 3.33Å; D133-K137 WeakPolarHBondContact OD1-CE 3.23Å; D133-K137 IonicContact OD1-NZ 2.63Å; D133-K137 PolarHBondContact OD1-NZ 3.12Å; D133-K137 VanDerWaalsContact OD2-CE 3.3Å; D133-K137 WeakPolarHBondContact OD2-CE 3.31Å; D133-K137 IonicContact OD2-NZ 2.62Å; D133-K137 PolarHBondContact OD2-NZ 3.24Å |
| 134 | N | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 173.4 | -77.3 | -38 | 0 | 0 | 0 | 112.5 | K130 Q131 M132 K137 K138 | K130-N134 VanDerWaalsContact O-CB 3.23Å; K130-N134 WeakPolarHBondContact O-CB 3.43Å; K130-N134 PolarHBondContact O-N 2.74Å; K130-N134 PolarHBondContact O-ND2 3.5Å; Q131-N134 PolarHBondContact O-N 2.89Å; M132-N134 PolarHBondContact O-N 3.11Å; N134-K137 PolarHBondContact O-N 3.08Å; N134-K138 PolarHBondContact O-N 3.01Å |
| 135 | S | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.5 | 68 | 0 | 0 | 0 | 0 | 112.2 | Q131 M132 K138 F139 | Q131-S135 PolarHBondContact O-N 2.99Å; Q131-S135 PolarHBondContact O-OG 3.03Å; M132-S135 PolarHBondContact O-N 3.04Å; M132-S135 PolarHBondContact O-OG 3.38Å; S135-K138 WeakPolarHBondContact O-CB 3.3Å; S135-K138 PolarHBondContact O-N 3.41Å; S135-F139 PolarHBondContact O-N 2.71Å |
| 136 | K | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 170.9 | -171.5 | -179.5 | 178.1 | -89 | 0 | 111.6 | M132 D133 K138 F139 E140 Y188 | M132-K136 WeakPolarHBondContact O-CB 3.39Å; M132-K136 PolarHBondContact O-N 3.32Å; D133-K136 WeakPolarHBondContact O-CB 3.24Å; D133-K136 PolarHBondContact O-N 2.96Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.23Å; K136-F139 PolarHBondContact O-N 3.08Å; K136-E140 IonicContact NZ-OE1 3.92Å; K136-E140 PolarHBondContact NZ-OE1 2.97Å; K136-E140 WeakPolarHBondContact O-CB 3.17Å; K136-E140 WeakPolarHBondContact O-CG 3.48Å; K136-E140 PolarHBondContact O-N 3.06Å; K136-Y188 HydrophobicContact CB-CD2 3.68Å; K136-Y188 HydrophobicContact CB-CE2 3.54Å; K136-Y188 HydrophobicContact CB-CG 4.39Å; K136-Y188 HydrophobicContact CD-CE2 4.15Å; K136-Y188 HydrophobicContact CG-CD2 4.3Å; K136-Y188 HydrophobicContact CG-CE1 4.43Å; K136-Y188 HydrophobicContact CG-CE2 3.82Å |
| 137 | K | 98.7 | Very high | 98.5 | Very high | 105 Ų | 105 | 65.7 Ų | 65.7 | 46% | 0.457 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 178.4 | -74.3 | 166.3 | 177.2 | 168.3 | 0 | 112.9 | D133 N134 R141 | D133-K137 WeakPolarHBondContact O-CB 3.39Å; D133-K137 VanDerWaalsContact O-CG 3.3Å; D133-K137 WeakPolarHBondContact O-CG 3.49Å; D133-K137 PolarHBondContact O-N 3.33Å; D133-K137 WeakPolarHBondContact OD1-CE 3.23Å; D133-K137 IonicContact OD1-NZ 2.63Å; D133-K137 PolarHBondContact OD1-NZ 3.12Å; D133-K137 VanDerWaalsContact OD2-CE 3.3Å; D133-K137 WeakPolarHBondContact OD2-CE 3.31Å; D133-K137 IonicContact OD2-NZ 2.62Å; D133-K137 PolarHBondContact OD2-NZ 3.24Å; N134-K137 PolarHBondContact O-N 3.08Å; K137-R141 PolarHBondContact O-N 3.11Å |
| 138 | K | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 66.4 Ų | 66.4 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -53.8 | 170.3 | -177.3 | -173.5 | 179.2 | -174 | 0 | 110.5 | N134 S135 K136 E140 R141 E142 E187 | N134-K138 PolarHBondContact O-N 3.01Å; S135-K138 WeakPolarHBondContact O-CB 3.3Å; S135-K138 PolarHBondContact O-N 3.41Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.23Å; K138-E140 PolarHBondContact O-N 2.68Å; K138-R141 WeakPolarHBondContact O-CB 3.37Å; K138-R141 PolarHBondContact O-N 2.7Å; K138-R141 VanDerWaalsContact O-N 3.08Å; K138-E142 PolarHBondContact O-N 3.37Å; K138-E187 VanDerWaalsContact CD-OE2 3.29Å; K138-E187 WeakPolarHBondContact CD-OE2 3.36Å; K138-E187 WeakPolarHBondContact CE-OE2 3.22Å; K138-E187 IonicContact NZ-OE1 3.56Å; K138-E187 IonicContact NZ-OE2 3.35Å; K138-E187 PolarHBondContact NZ-OE2 3.33Å |
| 139 | F | 98.7 | Very high | 98.5 | Very high | 47 Ų | 47 | 66.7 Ų | 66.7 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 178.4 | 172.7 | -127.5 | 0 | 0 | 0 | 112.4 | S135 K136 R141 E142 C143 A181 K185 Y188 | S135-F139 PolarHBondContact O-N 2.71Å; K136-F139 PolarHBondContact O-N 3.08Å; F139-R141 PolarHBondContact O-N 3.14Å; F139-E142 PolarHBondContact O-N 3.15Å; F139-C143 WeakPolarHBondContact CE2-SG 3.11Å; F139-C143 PolarHBondContact O-N 2.95Å; F139-C143 PolarHBondContact O-SG 3.32Å; F139-A181 WeakPolarHBondContact CD2-O 3.33Å; F139-K185 HydrophobicContact CD2-CB 3.65Å; F139-K185 HydrophobicContact CD2-CG 4.44Å; F139-K185 HydrophobicContact CE2-CB 3.41Å; F139-K185 VanDerWaalsContact CE2-CB 3.41Å; F139-K185 HydrophobicContact CE2-CD 4.07Å; F139-K185 HydrophobicContact CE2-CG 3.81Å; F139-K185 HydrophobicContact CG-CB 4.43Å; F139-K185 HydrophobicContact CZ-CB 3.99Å; F139-K185 HydrophobicContact CZ-CD 4.19Å; F139-K185 HydrophobicContact CZ-CG 3.88Å; F139-Y188 AromaticContact CD1-CD1 3.82Å; F139-Y188 HydrophobicContact CD1-CD1 3.82Å; F139-Y188 HydrophobicContact CD1-CE1 4.47Å; F139-Y188 HydrophobicContact CE1-CD1 4.38Å |
| 140 | E | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 65 Ų | 65 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.3 | -35.3 | 174.4 | -80.4 | -175.4 | -152.3 | 0 | 0 | 113.4 | K136 K138 R144 | K136-E140 IonicContact NZ-OE1 3.92Å; K136-E140 PolarHBondContact NZ-OE1 2.97Å; K136-E140 WeakPolarHBondContact O-CB 3.17Å; K136-E140 WeakPolarHBondContact O-CG 3.48Å; K136-E140 PolarHBondContact O-N 3.06Å; K138-E140 PolarHBondContact O-N 2.68Å; E140-R144 WeakPolarHBondContact O-CD 3.5Å; E140-R144 VanDerWaalsContact O-CG 3.3Å; E140-R144 WeakPolarHBondContact O-CG 3.5Å; E140-R144 PolarHBondContact O-N 2.96Å; E140-R144 PolarHBondContact O-NE 2.8Å; E140-R144 IonicContact OE2-CZ 2.66Å; E140-R144 IonicContact OE2-NH2 2.95Å; E140-R144 PolarHBondContact OE2-NH2 3.41Å |
| 141 | R | 98.6 | Very high | 98.4 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.2 | -48.6 | 178.2 | -177.5 | -171.8 | 64.6 | -129 | -3.9 | 111.5 | K137 K138 F139 C143 R144 E145 | K137-R141 PolarHBondContact O-N 3.11Å; K138-R141 WeakPolarHBondContact O-CB 3.37Å; K138-R141 PolarHBondContact O-N 2.7Å; K138-R141 VanDerWaalsContact O-N 3.08Å; F139-R141 PolarHBondContact O-N 3.14Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 3.44Å; R141-R144 PolarHBondContact O-N 2.92Å; R141-R144 VanDerWaalsContact O-N 3.13Å; R141-E145 PolarHBondContact O-N 2.74Å; R141-E145 VanDerWaalsContact O-N 3.07Å |
| 142 | E | 98.3 | Very high | 98.3 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.6 | -32.3 | -179 | -56.2 | -45.1 | 133.5 | 0 | 0 | 111.7 | K138 F139 E145 A146 R177 A181 | K138-E142 PolarHBondContact O-N 3.37Å; F139-E142 PolarHBondContact O-N 3.15Å; E142-E145 PolarHBondContact O-N 3.19Å; E142-A146 PolarHBondContact O-N 2.87Å; E142-R177 IonicContact OE2-NH1 3.83Å; E142-R177 PolarHBondContact OE2-NH1 3.49Å; E142-A181 HydrophobicContact CB-CB 4.34Å |
| 143 | C | 98.3 | Very high | 98.3 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.9 | -50.6 | 167.8 | -76.6 | 0 | 0 | 0 | 0 | 112.5 | F139 R141 E145 A146 E147 | F139-C143 WeakPolarHBondContact CE2-SG 3.11Å; F139-C143 PolarHBondContact O-N 2.95Å; F139-C143 PolarHBondContact O-SG 3.32Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 3.44Å; C143-E145 PolarHBondContact O-N 3.06Å; C143-A146 WeakPolarHBondContact O-CB 3.42Å; C143-A146 PolarHBondContact O-N 3.21Å; C143-A146 VanDerWaalsContact O-N 3.08Å; C143-E147 WeakPolarHBondContact O-CG 3.41Å; C143-E147 PolarHBondContact O-N 2.93Å |
| 144 | R | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 66.5 Ų | 66.5 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 178.5 | -65.5 | 166.2 | -163 | 142.8 | 9.9 | 112.4 | E140 R141 K148 | E140-R144 WeakPolarHBondContact O-CD 3.5Å; E140-R144 VanDerWaalsContact O-CG 3.3Å; E140-R144 WeakPolarHBondContact O-CG 3.5Å; E140-R144 PolarHBondContact O-N 2.96Å; E140-R144 PolarHBondContact O-NE 2.8Å; E140-R144 IonicContact OE2-CZ 2.66Å; E140-R144 IonicContact OE2-NH2 2.95Å; E140-R144 PolarHBondContact OE2-NH2 3.41Å; R141-R144 PolarHBondContact O-N 2.92Å; R141-R144 VanDerWaalsContact O-N 3.13Å; R144-K148 WeakPolarHBondContact O-CD 3.21Å; R144-K148 WeakPolarHBondContact O-CG 3.39Å; R144-K148 PolarHBondContact O-N 3.28Å; R144-K148 VanDerWaalsContact O-N 3.13Å |
| 145 | E | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 70 Ų | 70 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.5 | -32.3 | 174.3 | -64.4 | -56.2 | 121.7 | 0 | 0 | 112.6 | R141 E142 C143 K148 A149 R177 | R141-E145 PolarHBondContact O-N 2.74Å; R141-E145 VanDerWaalsContact O-N 3.07Å; E142-E145 PolarHBondContact O-N 3.19Å; C143-E145 PolarHBondContact O-N 3.06Å; E145-K148 IonicContact OE1-NZ 3.99Å; E145-K148 PolarHBondContact OE1-NZ 3.18Å; E145-A149 WeakPolarHBondContact O-CB 3.42Å; E145-A149 PolarHBondContact O-N 3.26Å; E145-R177 IonicContact OE2-NH2 2.78Å |
| 146 | A | 98.3 | Very high | 98 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E142 C143 K148 A149 Q150 R177 A181 | E142-A146 PolarHBondContact O-N 2.87Å; C143-A146 WeakPolarHBondContact O-CB 3.42Å; C143-A146 PolarHBondContact O-N 3.21Å; C143-A146 VanDerWaalsContact O-N 3.08Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 3.33Å; A146-A149 PolarHBondContact O-N 3.41Å; A146-A149 VanDerWaalsContact O-N 3.12Å; A146-Q150 WeakPolarHBondContact O-CB 3.3Å; A146-Q150 PolarHBondContact O-N 2.96Å; A146-R177 HydrophobicContact CB-CB 4.01Å; A146-A181 HydrophobicContact CB-CB 4.33Å |
| 147 | E | 98.2 | Very high | 97.8 | Very high | 121 Ų | 121 | 71.7 Ų | 71.7 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 174.4 | -71.6 | 163.9 | -178.5 | 0 | 0 | 112.2 | C143 S151 | C143-E147 WeakPolarHBondContact O-CG 3.41Å; C143-E147 PolarHBondContact O-N 2.93Å; E147-S151 WeakPolarHBondContact O-CB 3.34Å; E147-S151 PolarHBondContact O-N 2.96Å; E147-S151 PolarHBondContact O-OG 3.3Å |
| 148 | K | 98.3 | Very high | 97.7 | Very high | 117 Ų | 117 | 73 Ų | 73 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 172.8 | -72.3 | 167 | -169.2 | 176 | 0 | 112.3 | R144 E145 A146 T152 | R144-K148 WeakPolarHBondContact O-CD 3.21Å; R144-K148 WeakPolarHBondContact O-CG 3.39Å; R144-K148 PolarHBondContact O-N 3.28Å; R144-K148 VanDerWaalsContact O-N 3.13Å; E145-K148 IonicContact OE1-NZ 3.99Å; E145-K148 PolarHBondContact OE1-NZ 3.18Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 3.33Å; K148-T152 WeakPolarHBondContact O-CB 3.48Å; K148-T152 PolarHBondContact O-N 3.28Å; K148-T152 PolarHBondContact O-OG1 2.9Å |
| 149 | A | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E145 A146 T152 Y153 L174 R177 | E145-A149 WeakPolarHBondContact O-CB 3.42Å; E145-A149 PolarHBondContact O-N 3.26Å; A146-A149 PolarHBondContact O-N 3.41Å; A146-A149 VanDerWaalsContact O-N 3.12Å; A149-T152 PolarHBondContact O-N 2.92Å; A149-Y153 WeakPolarHBondContact O-CB 3.45Å; A149-Y153 PolarHBondContact O-N 3.45Å; A149-L174 HydrophobicContact CB-CB 4.4Å; A149-L174 HydrophobicContact CB-CD1 4.42Å; A149-R177 HydrophobicContact CB-CB 4.17Å; A149-R177 HydrophobicContact CB-CG 4.04Å |
| 150 | Q | 97.9 | Very high | 97 | Very high | 76 Ų | 76 | 78.3 Ų | 78.3 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.3 | -55.4 | 173.2 | -174 | 69 | 65.5 | 0 | 0 | 110.2 | A146 T152 Y153 D154 L174 | A146-Q150 WeakPolarHBondContact O-CB 3.3Å; A146-Q150 PolarHBondContact O-N 2.96Å; Q150-T152 PolarHBondContact O-N 3.33Å; Q150-T152 VanDerWaalsContact O-N 3.1Å; Q150-Y153 PolarHBondContact O-N 2.96Å; Q150-D154 PolarHBondContact NE2-OD1 3.12Å; Q150-D154 PolarHBondContact NE2-OD2 2.96Å; Q150-D154 PolarHBondContact O-N 2.69Å; Q150-L174 HydrophobicContact CB-CD1 3.95Å |
| 151 | S | 97.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.2 | -29.8 | 177 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | E147 R155 | E147-S151 WeakPolarHBondContact O-CB 3.34Å; E147-S151 PolarHBondContact O-N 2.96Å; E147-S151 PolarHBondContact O-OG 3.3Å; S151-R155 WeakPolarHBondContact O-CB 3.48Å; S151-R155 PolarHBondContact O-N 3.28Å |
| 152 | T | 97.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 77.2 Ų | 77.2 | 36% | 0.362 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -78.4 | -40.8 | 177 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | K148 A149 Q150 L156 | K148-T152 WeakPolarHBondContact O-CB 3.48Å; K148-T152 PolarHBondContact O-N 3.28Å; K148-T152 PolarHBondContact O-OG1 2.9Å; A149-T152 PolarHBondContact O-N 2.92Å; Q150-T152 PolarHBondContact O-N 3.33Å; Q150-T152 VanDerWaalsContact O-N 3.1Å; T152-L156 HydrophobicContact CG2-CD1 4.22Å; T152-L156 WeakPolarHBondContact O-CG 3.44Å; T152-L156 PolarHBondContact O-N 2.87Å |
| 153 | Y | 97.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 80 Ų | 80 | 14% | 0.141 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.6 | -53.7 | 173.6 | 169.9 | -113.5 | 0 | 0 | 0 | 110.7 | A149 Q150 R155 L156 D157 V167 A170 K171 L174 | A149-Y153 WeakPolarHBondContact O-CB 3.45Å; A149-Y153 PolarHBondContact O-N 3.45Å; Q150-Y153 PolarHBondContact O-N 2.96Å; Y153-R155 PolarHBondContact O-N 2.7Å; Y153-L156 PolarHBondContact O-N 3.17Å; Y153-D157 HydrophobicContact CD2-CB 4.41Å; Y153-D157 HydrophobicContact CE2-CB 3.89Å; Y153-D157 WeakPolarHBondContact CE2-OD1 3.42Å; Y153-D157 WeakPolarHBondContact O-CB 3.47Å; Y153-D157 PolarHBondContact O-N 3.43Å; Y153-D157 PolarHBondContact OH-OD1 2.79Å; Y153-V167 HydrophobicContact CD2-CG1 4.5Å; Y153-V167 HydrophobicContact CE2-CG1 3.87Å; Y153-A170 HydrophobicContact CD2-CB 4.32Å; Y153-K171 HydrophobicContact CD2-CB 3.8Å; Y153-K171 HydrophobicContact CD2-CG 4.39Å; Y153-K171 HydrophobicContact CE2-CB 3.75Å; Y153-K171 HydrophobicContact CE2-CD 4.1Å; Y153-K171 HydrophobicContact CE2-CG 4.01Å; Y153-L174 HydrophobicContact CD1-CD2 3.65Å; Y153-L174 HydrophobicContact CE1-CD2 4.43Å; Y153-L174 HydrophobicContact CG-CD2 4.04Å |
| 154 | D | 97.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 86.1 Ų | 86.1 | 35% | 0.353 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.8 | -40.4 | -178.1 | -59.7 | -21.2 | 0 | 0 | 0 | 111.8 | Q150 N158 | Q150-D154 PolarHBondContact NE2-OD1 3.12Å; Q150-D154 PolarHBondContact NE2-OD2 2.96Å; Q150-D154 PolarHBondContact O-N 2.69Å; D154-N158 WeakPolarHBondContact O-CB 3.44Å; D154-N158 PolarHBondContact O-N 2.95Å; D154-N158 PolarHBondContact O-ND2 3.1Å |
| 155 | R | 96.9 | Very high | 96 | Very high | 173 Ų | 173 | 84.9 Ų | 84.9 | 65% | 0.653 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.2 | -36.1 | 176.6 | -177 | -178.5 | 62.7 | 131.6 | 3.8 | 113.2 | S151 Y153 D159 | S151-R155 WeakPolarHBondContact O-CB 3.48Å; S151-R155 PolarHBondContact O-N 3.28Å; Y153-R155 PolarHBondContact O-N 2.7Å; R155-D159 PolarHBondContact O-N 3.47Å |
| 156 | L | 95.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 86.8 Ų | 86.8 | 18% | 0.178 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -82.9 | -36.4 | -179.3 | -73.4 | 168.6 | 0 | 0 | 0 | 112.2 | T152 Y153 N158 D159 A162 V167 A170 | T152-L156 HydrophobicContact CG2-CD1 4.22Å; T152-L156 WeakPolarHBondContact O-CG 3.44Å; T152-L156 PolarHBondContact O-N 2.87Å; Y153-L156 PolarHBondContact O-N 3.17Å; L156-N158 PolarHBondContact O-N 2.8Å; L156-D159 PolarHBondContact O-N 3.41Å; L156-A162 HydrophobicContact CD2-CB 4.05Å; L156-V167 HydrophobicContact CB-CG2 4.37Å; L156-A170 HydrophobicContact CD1-CB 3.78Å |
| 157 | D | 95.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 87.1 Ų | 87.1 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -28.9 | 176.9 | -156.4 | 84.8 | 0 | 0 | 0 | 111.5 | Y153 V167 | Y153-D157 HydrophobicContact CD2-CB 4.41Å; Y153-D157 HydrophobicContact CE2-CB 3.89Å; Y153-D157 WeakPolarHBondContact CE2-OD1 3.42Å; Y153-D157 WeakPolarHBondContact O-CB 3.47Å; Y153-D157 PolarHBondContact O-N 3.43Å; Y153-D157 PolarHBondContact OH-OD1 2.79Å; D157-V167 HydrophobicContact CB-CG1 4.27Å; D157-V167 VanDerWaalsContact OD1-CG1 3.25Å; D157-V167 WeakPolarHBondContact OD1-CG1 3.5Å |
| 158 | N | 94.6 | Very high | 95.6 | Very high | 132 Ų | 132 | 85.7 Ų | 85.7 | 71% | 0.706 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -3.5 | 175 | -71.8 | -86.4 | 0 | 0 | 0 | 114.9 | D154 L156 | D154-N158 WeakPolarHBondContact O-CB 3.44Å; D154-N158 PolarHBondContact O-N 2.95Å; D154-N158 PolarHBondContact O-ND2 3.1Å; L156-N158 PolarHBondContact O-N 2.8Å |
| 159 | D | 94.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 87.8 Ų | 87.8 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | trans | -89.7 | 112.1 | 178.2 | -174.6 | -1.4 | 0 | 0 | 0 | 111 | R155 L156 N161 A162 | R155-D159 PolarHBondContact O-N 3.47Å; L156-D159 PolarHBondContact O-N 3.41Å; D159-N161 PolarHBondContact O-N 3.44Å; D159-N161 WeakPolarHBondContact OD1-CB 3.04Å; D159-N161 PolarHBondContact OD1-N 3.49Å; D159-N161 PolarHBondContact OD1-ND2 3.01Å; D159-A162 HydrophobicContact CB-CB 4.02Å; D159-A162 WeakPolarHBondContact O-CB 3.4Å; D159-A162 PolarHBondContact O-N 2.85Å | ||
| 160 | I | 90 | Very high | 95.4 | Very high | 169 Ų | 169 | 87.9 Ų | 87.9 | 87% | 0.867 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.4 | 178.1 | -61.1 | 173.2 | 0 | 0 | 0 | 112.3 | ||
| 161 | N | 93.6 | Very high | 95.4 | Very high | 140 Ų | 140 | 86.8 Ų | 86.8 | 75% | 0.749 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -12.1 | -179.2 | -47.9 | -86.2 | 0 | 0 | 0 | 113.6 | D159 | D159-N161 PolarHBondContact O-N 3.44Å; D159-N161 WeakPolarHBondContact OD1-CB 3.04Å; D159-N161 PolarHBondContact OD1-N 3.49Å; D159-N161 PolarHBondContact OD1-ND2 3.01Å |
| 162 | A | 92.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 86.1 Ų | 86.1 | 20% | 0.198 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -73.6 | 141.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L156 D159 V167 | L156-A162 HydrophobicContact CD2-CB 4.05Å; D159-A162 HydrophobicContact CB-CB 4.02Å; D159-A162 WeakPolarHBondContact O-CB 3.4Å; D159-A162 PolarHBondContact O-N 2.85Å; A162-V167 HydrophobicContact CB-CG2 4.28Å |
| 163 | T | 95.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 87.2 Ų | 87.2 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | trans | -78.6 | 148.1 | 176.3 | 72 | 0 | 0 | 0 | 0 | 111.1 | S165 E166 V167 | T163-S165 PolarHBondContact O-N 3.18Å; T163-E166 VanDerWaalsContact CB-OE2 3.25Å; T163-E166 WeakPolarHBondContact CB-OE2 3.46Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.3Å; T163-E166 PolarHBondContact N-OE2 3.5Å; T163-E166 PolarHBondContact O-N 2.92Å; T163-E166 WeakPolarHBondContact OG1-CG 3.14Å; T163-E166 PolarHBondContact OG1-N 3.46Å; T163-E166 PolarHBondContact OG1-OE2 3.05Å; T163-V167 PolarHBondContact O-N 2.79Å; T163-V167 VanDerWaalsContact O-N 3.14Å | ||
| 164 | K | 93.4 | Very high | 95.4 | Very high | 162 Ų | 162 | 86 Ų | 86 | 70% | 0.704 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -53.3 | -29 | 173.8 | -175.1 | 172.8 | -179.3 | 176.5 | 0 | 113.2 | E168 | K164-E168 HydrophobicContact CG-CG 4.42Å; K164-E168 WeakPolarHBondContact O-CG 3.41Å; K164-E168 PolarHBondContact O-N 3.39Å; K164-E168 VanDerWaalsContact O-N 3.08Å |
| 165 | S | 95.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 89.9 Ų | 89.9 | 64% | 0.643 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 175.8 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | T163 K169 | T163-S165 PolarHBondContact O-N 3.18Å; S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.35Å; S165-K169 PolarHBondContact O-N 2.7Å |
| 166 | E | 94.3 | Very high | 95.5 | Very high | 96 Ų | 96 | 86.4 Ų | 86.4 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 178.6 | -69.1 | 158.8 | 125.3 | 0 | 0 | 111.7 | T163 K169 A170 | T163-E166 VanDerWaalsContact CB-OE2 3.25Å; T163-E166 WeakPolarHBondContact CB-OE2 3.46Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.3Å; T163-E166 PolarHBondContact N-OE2 3.5Å; T163-E166 PolarHBondContact O-N 2.92Å; T163-E166 WeakPolarHBondContact OG1-CG 3.14Å; T163-E166 PolarHBondContact OG1-N 3.46Å; T163-E166 PolarHBondContact OG1-OE2 3.05Å; E166-K169 PolarHBondContact O-N 2.98Å; E166-A170 WeakPolarHBondContact O-CB 3.31Å; E166-A170 PolarHBondContact O-N 3Å |
| 167 | V | 95.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 87.6 Ų | 87.6 | 13% | 0.127 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.1 | -51.5 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | Y153 L156 D157 A162 T163 K169 A170 K171 | Y153-V167 HydrophobicContact CD2-CG1 4.5Å; Y153-V167 HydrophobicContact CE2-CG1 3.87Å; L156-V167 HydrophobicContact CB-CG2 4.37Å; D157-V167 HydrophobicContact CB-CG1 4.27Å; D157-V167 VanDerWaalsContact OD1-CG1 3.25Å; D157-V167 WeakPolarHBondContact OD1-CG1 3.5Å; A162-V167 HydrophobicContact CB-CG2 4.28Å; T163-V167 PolarHBondContact O-N 2.79Å; T163-V167 VanDerWaalsContact O-N 3.14Å; V167-K169 VanDerWaalsContact C-N 3.31Å; V167-K169 PolarHBondContact O-N 2.85Å; V167-A170 PolarHBondContact O-N 2.72Å; V167-K171 WeakPolarHBondContact O-CB 3.27Å; V167-K171 PolarHBondContact O-N 2.74Å |
| 168 | E | 95.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 86.2 Ų | 86.2 | 43% | 0.425 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -33.8 | 177.9 | -68.2 | -67.4 | 173.7 | 0 | 0 | 112.2 | K164 K171 A172 | K164-E168 HydrophobicContact CG-CG 4.42Å; K164-E168 WeakPolarHBondContact O-CG 3.41Å; K164-E168 PolarHBondContact O-N 3.39Å; K164-E168 VanDerWaalsContact O-N 3.08Å; E168-K171 PolarHBondContact O-N 3.19Å; E168-K171 IonicContact OE2-NZ 2.89Å; E168-A172 WeakPolarHBondContact O-CB 3.42Å; E168-A172 PolarHBondContact O-N 3.4Å |
| 169 | K | 96.9 | Very high | 95.8 | Very high | 161 Ų | 161 | 85.6 Ų | 85.6 | 70% | 0.7 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 172.9 | -176.6 | -179.8 | 177.9 | -176.1 | 0 | 112.1 | S165 E166 V167 K171 Q173 | S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.35Å; S165-K169 PolarHBondContact O-N 2.7Å; E166-K169 PolarHBondContact O-N 2.98Å; V167-K169 VanDerWaalsContact C-N 3.31Å; V167-K169 PolarHBondContact O-N 2.85Å; K169-K171 VanDerWaalsContact C-N 3.34Å; K169-Q173 WeakPolarHBondContact O-CB 3.27Å; K169-Q173 PolarHBondContact O-N 2.97Å |
| 170 | A | 96.6 | Very high | 96 | Very high | 11 Ų | 11 | 85.3 Ų | 85.3 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y153 L156 E166 V167 Q173 L174 | Y153-A170 HydrophobicContact CD2-CB 4.32Å; L156-A170 HydrophobicContact CD1-CB 3.78Å; E166-A170 WeakPolarHBondContact O-CB 3.31Å; E166-A170 PolarHBondContact O-N 3Å; V167-A170 PolarHBondContact O-N 2.72Å; A170-Q173 WeakPolarHBondContact O-CB 3.46Å; A170-Q173 PolarHBondContact O-N 2.95Å; A170-L174 WeakPolarHBondContact O-CB 3.47Å; A170-L174 PolarHBondContact O-N 3.13Å |
| 171 | K | 97.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 77.8 Ų | 77.8 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 176.1 | -168.8 | 176.6 | 180 | 179.9 | 0 | 113.1 | Y153 V167 E168 K169 Q173 L174 Y175 | Y153-K171 HydrophobicContact CD2-CB 3.8Å; Y153-K171 HydrophobicContact CD2-CG 4.39Å; Y153-K171 HydrophobicContact CE2-CB 3.75Å; Y153-K171 HydrophobicContact CE2-CD 4.1Å; Y153-K171 HydrophobicContact CE2-CG 4.01Å; V167-K171 WeakPolarHBondContact O-CB 3.27Å; V167-K171 PolarHBondContact O-N 2.74Å; E168-K171 PolarHBondContact O-N 3.19Å; E168-K171 IonicContact OE2-NZ 2.89Å; K169-K171 VanDerWaalsContact C-N 3.34Å; K171-Q173 VanDerWaalsContact C-N 3.34Å; K171-L174 WeakPolarHBondContact O-CB 3.35Å; K171-L174 PolarHBondContact O-N 3.1Å; K171-Y175 HydrophobicContact CD-CE2 4.4Å; K171-Y175 WeakPolarHBondContact CE-OH 3.35Å; K171-Y175 HydrophobicContact CG-CD2 4.32Å; K171-Y175 HydrophobicContact CG-CE2 3.72Å; K171-Y175 WeakPolarHBondContact O-CD2 2.9Å; K171-Y175 PolarHBondContact O-N 3.48Å |
| 172 | A | 97.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 50% | 0.504 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -41 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E168 L174 Y175 M176 | E168-A172 WeakPolarHBondContact O-CB 3.42Å; E168-A172 PolarHBondContact O-N 3.4Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-Y175 PolarHBondContact O-N 2.86Å; A172-M176 PolarHBondContact O-N 3.45Å; A172-M176 VanDerWaalsContact O-N 3.1Å |
| 173 | Q | 97.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 78.2 Ų | 78.2 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 175.4 | 179.9 | 59.1 | 73.4 | 0 | 0 | 112.6 | K169 A170 K171 R177 | K169-Q173 WeakPolarHBondContact O-CB 3.27Å; K169-Q173 PolarHBondContact O-N 2.97Å; A170-Q173 WeakPolarHBondContact O-CB 3.46Å; A170-Q173 PolarHBondContact O-N 2.95Å; K171-Q173 VanDerWaalsContact C-N 3.34Å; Q173-R177 WeakPolarHBondContact O-CG 3Å; Q173-R177 PolarHBondContact O-N 2.94Å |
| 174 | L | 97.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 74.8 Ų | 74.8 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -57.3 | 171.6 | 168.2 | 57.8 | 0 | 0 | 0 | 111 | A149 Q150 Y153 A170 K171 A172 M176 R177 T178 | A149-L174 HydrophobicContact CB-CB 4.4Å; A149-L174 HydrophobicContact CB-CD1 4.42Å; Q150-L174 HydrophobicContact CB-CD1 3.95Å; Y153-L174 HydrophobicContact CD1-CD2 3.65Å; Y153-L174 HydrophobicContact CE1-CD2 4.43Å; Y153-L174 HydrophobicContact CG-CD2 4.04Å; A170-L174 WeakPolarHBondContact O-CB 3.47Å; A170-L174 PolarHBondContact O-N 3.13Å; K171-L174 WeakPolarHBondContact O-CB 3.35Å; K171-L174 PolarHBondContact O-N 3.1Å; A172-L174 VanDerWaalsContact C-N 3.34Å; L174-M176 PolarHBondContact O-N 3.16Å; L174-R177 PolarHBondContact O-N 3.44Å; L174-T178 PolarHBondContact O-N 3Å; L174-T178 PolarHBondContact O-OG1 2.87Å |
| 175 | Y | 97.8 | Very high | 97.3 | Very high | 149 Ų | 149 | 71.7 Ų | 71.7 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.8 | -39.5 | -179.1 | -67.5 | -45.1 | 0 | 0 | 0 | 112.7 | K171 A172 T178 H179 | K171-Y175 HydrophobicContact CD-CE2 4.4Å; K171-Y175 WeakPolarHBondContact CE-OH 3.35Å; K171-Y175 HydrophobicContact CG-CD2 4.32Å; K171-Y175 HydrophobicContact CG-CE2 3.72Å; K171-Y175 WeakPolarHBondContact O-CD2 2.9Å; K171-Y175 PolarHBondContact O-N 3.48Å; A172-Y175 PolarHBondContact O-N 2.86Å; Y175-T178 PolarHBondContact O-N 2.82Å; Y175-H179 PolarHBondContact O-N 3.47Å |
| 176 | M | 98 | Very high | 97.5 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 49% | 0.493 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.7 | -173.7 | 178.1 | 66.9 | 0 | 0 | 112.5 | A172 L174 H179 M180 | A172-M176 PolarHBondContact O-N 3.45Å; A172-M176 VanDerWaalsContact O-N 3.1Å; L174-M176 PolarHBondContact O-N 3.16Å; M176-H179 PolarHBondContact O-N 2.92Å; M176-M180 WeakPolarHBondContact O-CG 3.21Å; M176-M180 PolarHBondContact O-N 3.28Å; M176-M180 VanDerWaalsContact O-N 3.15Å |
| 177 | R | 97.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 71.8 Ų | 71.8 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 177.9 | -72.2 | -59.8 | -167.3 | -179.3 | 6 | 112.9 | E142 E145 A146 A149 Q173 L174 H179 M180 A181 | E142-R177 IonicContact OE2-NH1 3.83Å; E142-R177 PolarHBondContact OE2-NH1 3.49Å; E145-R177 IonicContact OE2-NH2 2.78Å; A146-R177 HydrophobicContact CB-CB 4.01Å; A149-R177 HydrophobicContact CB-CB 4.17Å; A149-R177 HydrophobicContact CB-CG 4.04Å; Q173-R177 WeakPolarHBondContact O-CG 3Å; Q173-R177 PolarHBondContact O-N 2.94Å; L174-R177 PolarHBondContact O-N 3.44Å; R177-H179 VanDerWaalsContact C-N 3.32Å; R177-H179 PolarHBondContact O-N 3.36Å; R177-M180 PolarHBondContact O-N 2.82Å; R177-A181 WeakPolarHBondContact O-CB 3.47Å; R177-A181 PolarHBondContact O-N 3.25Å |
| 178 | T | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 174.2 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | L174 Y175 A181 D182 | L174-T178 PolarHBondContact O-N 3Å; L174-T178 PolarHBondContact O-OG1 2.87Å; Y175-T178 PolarHBondContact O-N 2.82Å; T178-A181 PolarHBondContact O-N 3.35Å; T178-D182 PolarHBondContact O-N 3.38Å |
| 179 | H | 97.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.1 | -48.7 | 174.9 | -167.9 | -79.6 | 0 | 0 | 0 | 112.1 | Y175 M176 R177 A181 D182 E183 | Y175-H179 PolarHBondContact O-N 3.47Å; M176-H179 PolarHBondContact O-N 2.92Å; R177-H179 VanDerWaalsContact C-N 3.32Å; R177-H179 PolarHBondContact O-N 3.36Å; H179-A181 VanDerWaalsContact C-N 3.27Å; H179-A181 PolarHBondContact O-N 3.45Å; H179-D182 PolarHBondContact O-N 3.39Å; H179-E183 IonicContact CE1-OE1 3.51Å; H179-E183 IonicContact CE1-OE2 3Å; H179-E183 PolarHBondContact CE1-OE2 3.45Å; H179-E183 IonicContact CG-OE2 2.97Å; H179-E183 IonicContact ND1-OE1 3.99Å; H179-E183 IonicContact ND1-OE2 2.71Å; H179-E183 PolarHBondContact ND1-OE2 3.24Å; H179-E183 WeakPolarHBondContact O-CG 3.42Å; H179-E183 PolarHBondContact O-N 3.38Å |
| 180 | M | 98.1 | Very high | 98 | Very high | 64 Ų | 64 | 66.4 Ų | 66.4 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.5 | -33.7 | 177.1 | -67.7 | 176.8 | 71.2 | 0 | 0 | 113 | M176 R177 S184 | M176-M180 WeakPolarHBondContact O-CG 3.21Å; M176-M180 PolarHBondContact O-N 3.28Å; M176-M180 VanDerWaalsContact O-N 3.15Å; R177-M180 PolarHBondContact O-N 2.82Å; M180-S184 WeakPolarHBondContact O-CB 3.4Å; M180-S184 PolarHBondContact O-N 2.93Å; M180-S184 VanDerWaalsContact O-N 3.11Å; M180-S184 PolarHBondContact O-OG 3.1Å |
| 181 | A | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.9 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F139 E142 A146 R177 T178 H179 S184 K185 | F139-A181 WeakPolarHBondContact CD2-O 3.33Å; E142-A181 HydrophobicContact CB-CB 4.34Å; A146-A181 HydrophobicContact CB-CB 4.33Å; R177-A181 WeakPolarHBondContact O-CB 3.47Å; R177-A181 PolarHBondContact O-N 3.25Å; T178-A181 PolarHBondContact O-N 3.35Å; H179-A181 VanDerWaalsContact C-N 3.27Å; H179-A181 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 3.01Å; A181-S184 PolarHBondContact O-OG 3.31Å; A181-S184 VanDerWaalsContact O-OG 3.14Å; A181-K185 VanDerWaalsContact O-CB 3.22Å; A181-K185 WeakPolarHBondContact O-CB 3.44Å; A181-K185 PolarHBondContact O-N 2.98Å |
| 182 | D | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 176.2 | -82.5 | -47.4 | 0 | 0 | 0 | 113.1 | T178 H179 K185 N186 | T178-D182 PolarHBondContact O-N 3.38Å; H179-D182 PolarHBondContact O-N 3.39Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 WeakPolarHBondContact OD1-CD 3.43Å; D182-K185 IonicContact OD1-NZ 2.6Å; D182-K185 PolarHBondContact OD1-NZ 3.47Å; D182-N186 VanDerWaalsContact O-CG 3.24Å; D182-N186 PolarHBondContact O-N 2.93Å; D182-N186 VanDerWaalsContact O-N 3.1Å; D182-N186 PolarHBondContact O-ND2 2.99Å |
| 183 | E | 98.3 | Very high | 98.3 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 171.2 | -75.6 | 177.7 | 111.8 | 0 | 0 | 111.8 | H179 K185 N186 E187 | H179-E183 IonicContact CE1-OE1 3.51Å; H179-E183 IonicContact CE1-OE2 3Å; H179-E183 PolarHBondContact CE1-OE2 3.45Å; H179-E183 IonicContact CG-OE2 2.97Å; H179-E183 IonicContact ND1-OE1 3.99Å; H179-E183 IonicContact ND1-OE2 2.71Å; H179-E183 PolarHBondContact ND1-OE2 3.24Å; H179-E183 WeakPolarHBondContact O-CG 3.42Å; H179-E183 PolarHBondContact O-N 3.38Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 2.92Å; E183-N186 PolarHBondContact O-N 3.24Å; E183-E187 PolarHBondContact O-N 3.41Å |
| 184 | S | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.3 | -27.4 | 179.6 | 54 | 0 | 0 | 0 | 0 | 113.3 | M180 A181 Y188 | M180-S184 WeakPolarHBondContact O-CB 3.4Å; M180-S184 PolarHBondContact O-N 2.93Å; M180-S184 VanDerWaalsContact O-N 3.11Å; M180-S184 PolarHBondContact O-OG 3.1Å; A181-S184 PolarHBondContact O-N 3.01Å; A181-S184 PolarHBondContact O-OG 3.31Å; A181-S184 VanDerWaalsContact O-OG 3.14Å; S184-Y188 WeakPolarHBondContact O-CB 3.47Å; S184-Y188 PolarHBondContact O-N 3.07Å |
| 185 | K | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 71.8 Ų | 71.8 | 42% | 0.422 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 168.3 | -177.4 | 178 | 164.2 | -169.2 | 0 | 112.3 | F139 A181 D182 E183 Y188 A189 | F139-K185 HydrophobicContact CD2-CB 3.65Å; F139-K185 HydrophobicContact CD2-CG 4.44Å; F139-K185 HydrophobicContact CE2-CB 3.41Å; F139-K185 VanDerWaalsContact CE2-CB 3.41Å; F139-K185 HydrophobicContact CE2-CD 4.07Å; F139-K185 HydrophobicContact CE2-CG 3.81Å; F139-K185 HydrophobicContact CG-CB 4.43Å; F139-K185 HydrophobicContact CZ-CB 3.99Å; F139-K185 HydrophobicContact CZ-CD 4.19Å; F139-K185 HydrophobicContact CZ-CG 3.88Å; A181-K185 VanDerWaalsContact O-CB 3.22Å; A181-K185 WeakPolarHBondContact O-CB 3.44Å; A181-K185 PolarHBondContact O-N 2.98Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 WeakPolarHBondContact OD1-CD 3.43Å; D182-K185 IonicContact OD1-NZ 2.6Å; D182-K185 PolarHBondContact OD1-NZ 3.47Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 2.92Å; K185-Y188 PolarHBondContact O-N 3.46Å; K185-A189 WeakPolarHBondContact O-CB 3.41Å; K185-A189 PolarHBondContact O-N 2.92Å |
| 186 | N | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 68.3 Ų | 68.3 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 178.5 | -69.9 | -32 | 0 | 0 | 0 | 111.4 | D182 E183 A189 A190 | D182-N186 VanDerWaalsContact O-CG 3.24Å; D182-N186 PolarHBondContact O-N 2.93Å; D182-N186 VanDerWaalsContact O-N 3.1Å; D182-N186 PolarHBondContact O-ND2 2.99Å; E183-N186 PolarHBondContact O-N 3.24Å; N186-A189 PolarHBondContact O-N 3.44Å; N186-A190 WeakPolarHBondContact O-CB 3.32Å; N186-A190 PolarHBondContact O-N 3.1Å |
| 187 | E | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 65 Ų | 65 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 172.8 | -175.2 | -177.4 | -161.8 | 0 | 0 | 112.1 | K138 E183 A190 Q191 | K138-E187 VanDerWaalsContact CD-OE2 3.29Å; K138-E187 WeakPolarHBondContact CD-OE2 3.36Å; K138-E187 WeakPolarHBondContact CE-OE2 3.22Å; K138-E187 IonicContact NZ-OE1 3.56Å; K138-E187 IonicContact NZ-OE2 3.35Å; K138-E187 PolarHBondContact NZ-OE2 3.33Å; E183-E187 PolarHBondContact O-N 3.41Å; E187-A190 PolarHBondContact O-N 2.69Å; E187-Q191 WeakPolarHBondContact O-CG 3.43Å; E187-Q191 PolarHBondContact O-N 3.12Å |
| 188 | Y | 98.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 64 Ų | 64 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 174.7 | 170 | -125.6 | 0 | 0 | 0 | 112.2 | M132 K136 F139 S184 K185 A190 Q191 L192 | M132-Y188 HydrophobicContact CG-CE2 4.31Å; M132-Y188 HydrophobicContact SD-CE2 3.96Å; K136-Y188 HydrophobicContact CB-CD2 3.68Å; K136-Y188 HydrophobicContact CB-CE2 3.54Å; K136-Y188 HydrophobicContact CB-CG 4.39Å; K136-Y188 HydrophobicContact CD-CE2 4.15Å; K136-Y188 HydrophobicContact CG-CD2 4.3Å; K136-Y188 HydrophobicContact CG-CE1 4.43Å; K136-Y188 HydrophobicContact CG-CE2 3.82Å; F139-Y188 AromaticContact CD1-CD1 3.82Å; F139-Y188 HydrophobicContact CD1-CD1 3.82Å; F139-Y188 HydrophobicContact CD1-CE1 4.47Å; F139-Y188 HydrophobicContact CE1-CD1 4.38Å; S184-Y188 WeakPolarHBondContact O-CB 3.47Å; S184-Y188 PolarHBondContact O-N 3.07Å; K185-Y188 PolarHBondContact O-N 3.46Å; Y188-A190 PolarHBondContact O-N 2.82Å; Y188-Q191 PolarHBondContact O-N 2.99Å; Y188-L192 HydrophobicContact CE2-CB 4.24Å; Y188-L192 VanDerWaalsContact O-CB 3.3Å; Y188-L192 WeakPolarHBondContact O-CB 3.36Å; Y188-L192 PolarHBondContact O-N 3.47Å |
| 189 | A | 98.7 | Very high | 98.5 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K185 N186 L192 Q193 | K185-A189 WeakPolarHBondContact O-CB 3.41Å; K185-A189 PolarHBondContact O-N 2.92Å; N186-A189 PolarHBondContact O-N 3.44Å; A189-L192 PolarHBondContact O-N 3.19Å; A189-Q193 PolarHBondContact O-N 3.43Å |
| 190 | A | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N186 E187 Y188 Q193 N194 | N186-A190 WeakPolarHBondContact O-CB 3.32Å; N186-A190 PolarHBondContact O-N 3.1Å; E187-A190 PolarHBondContact O-N 2.69Å; Y188-A190 PolarHBondContact O-N 2.82Å; A190-Q193 PolarHBondContact O-N 3.46Å; A190-N194 WeakPolarHBondContact O-CB 3.44Å; A190-N194 PolarHBondContact O-N 2.93Å |
| 191 | Q | 98.6 | Very high | 98.5 | Very high | 43 Ų | 43 | 68.6 Ų | 68.6 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.8 | -31.9 | 178.4 | -72.2 | -70.3 | 9.4 | 0 | 0 | 113.2 | M132 E187 Y188 N194 F195 | M132-Q191 HydrophobicContact CB-CB 4.32Å; E187-Q191 WeakPolarHBondContact O-CG 3.43Å; E187-Q191 PolarHBondContact O-N 3.12Å; Y188-Q191 PolarHBondContact O-N 2.99Å; Q191-N194 PolarHBondContact OE1-ND2 3.41Å; Q191-F195 WeakPolarHBondContact O-CB 3.41Å; Q191-F195 PolarHBondContact O-N 3.3Å |
| 192 | L | 98.8 | Very high | 98.5 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 29% | 0.293 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 172.4 | -179.8 | 61.7 | 0 | 0 | 0 | 111.6 | M132 Y188 A189 F195 N196 | M132-L192 HydrophobicContact CG-CB 4.33Å; M132-L192 HydrophobicContact CG-CD1 4.25Å; M132-L192 HydrophobicContact SD-CD1 4.34Å; Y188-L192 HydrophobicContact CE2-CB 4.24Å; Y188-L192 VanDerWaalsContact O-CB 3.3Å; Y188-L192 WeakPolarHBondContact O-CB 3.36Å; Y188-L192 PolarHBondContact O-N 3.47Å; A189-L192 PolarHBondContact O-N 3.19Å; L192-F195 PolarHBondContact O-N 2.78Å; L192-N196 WeakPolarHBondContact O-CB 3.36Å; L192-N196 PolarHBondContact O-N 3.37Å; L192-N196 PolarHBondContact O-ND2 3.25Å |
| 193 | Q | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 68.9 Ų | 68.9 | 72% | 0.715 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 174.6 | -176.3 | 178.5 | -4.1 | 0 | 0 | 111.6 | A189 A190 G197 | A189-Q193 PolarHBondContact O-N 3.43Å; A190-Q193 PolarHBondContact O-N 3.46Å; Q193-G197 PolarHBondContact O-N 3.49Å; Q193-G197 VanDerWaalsContact O-N 3.12Å |
| 194 | N | 98.4 | Very high | 98.5 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.342 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.9 | -53.8 | 175.1 | -177 | 37.6 | 0 | 0 | 0 | 111.5 | A190 Q191 N196 G197 E198 | A190-N194 WeakPolarHBondContact O-CB 3.44Å; A190-N194 PolarHBondContact O-N 2.93Å; Q191-N194 PolarHBondContact OE1-ND2 3.41Å; N194-N196 PolarHBondContact O-N 2.89Å; N194-G197 PolarHBondContact O-N 3.11Å; N194-G197 VanDerWaalsContact O-N 3.14Å; N194-E198 PolarHBondContact O-N 2.97Å |
| 195 | F | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 73.1 Ų | 73.1 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 179.5 | 174.6 | -105.1 | 0 | 0 | 0 | 112.7 | L125 C128 W129 M132 Q191 L192 G197 E198 Q199 | L125-F195 HydrophobicContact CD1-CD2 4.12Å; L125-F195 HydrophobicContact CD1-CE2 3.55Å; L125-F195 HydrophobicContact CD1-CZ 4.34Å; L125-F195 HydrophobicContact CG-CE2 4.2Å; C128-F195 HydrophobicContact CB-CD2 4.03Å; W129-F195 HydrophobicContact CB-CD2 4.07Å; W129-F195 HydrophobicContact CB-CE2 3.56Å; W129-F195 HydrophobicContact CB-CZ 4.17Å; W129-F195 AromaticContact CD1-CE2 3.99Å; W129-F195 AromaticContact CD1-CZ 3.74Å; W129-F195 HydrophobicContact CG-CE2 4.21Å; W129-F195 HydrophobicContact CG-CZ 4.36Å; M132-F195 HydrophobicContact CB-CB 3.96Å; M132-F195 HydrophobicContact CB-CG 4.37Å; M132-F195 HydrophobicContact CE-CD1 3.94Å; M132-F195 HydrophobicContact CE-CE1 4.2Å; M132-F195 HydrophobicContact CE-CG 4.3Å; M132-F195 HydrophobicContact CG-CB 4.08Å; M132-F195 HydrophobicContact CG-CG 4.45Å; Q191-F195 WeakPolarHBondContact O-CB 3.41Å; Q191-F195 PolarHBondContact O-N 3.3Å; L192-F195 PolarHBondContact O-N 2.78Å; F195-G197 VanDerWaalsContact C-N 3.29Å; F195-G197 PolarHBondContact O-N 3.29Å; F195-E198 PolarHBondContact O-N 3.49Å; F195-Q199 HydrophobicContact CE1-CB 4.44Å; F195-Q199 HydrophobicContact CZ-CB 4.29Å; F195-Q199 HydrophobicContact CZ-CG 4.44Å; F195-Q199 VanDerWaalsContact O-CB 3.22Å; F195-Q199 WeakPolarHBondContact O-CB 3.49Å; F195-Q199 PolarHBondContact O-N 3.07Å |
| 196 | N | 98.7 | Very high | 98.3 | Very high | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 178.4 | -68.9 | -13.7 | 0 | 0 | 0 | 111.9 | L192 N194 W200 | L192-N196 WeakPolarHBondContact O-CB 3.36Å; L192-N196 PolarHBondContact O-N 3.37Å; L192-N196 PolarHBondContact O-ND2 3.25Å; N194-N196 PolarHBondContact O-N 2.89Å; N196-W200 WeakPolarHBondContact O-CB 3.44Å; N196-W200 PolarHBondContact O-N 3.47Å |
| 197 | G | 98.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q193 N194 F195 W200 K201 | Q193-G197 PolarHBondContact O-N 3.49Å; Q193-G197 VanDerWaalsContact O-N 3.12Å; N194-G197 PolarHBondContact O-N 3.11Å; N194-G197 VanDerWaalsContact O-N 3.14Å; F195-G197 VanDerWaalsContact C-N 3.29Å; F195-G197 PolarHBondContact O-N 3.29Å; G197-W200 PolarHBondContact O-N 3.02Å; G197-K201 WeakPolarHBondContact O-CG 3.49Å; G197-K201 PolarHBondContact O-N 3.44Å; G197-K201 VanDerWaalsContact O-N 3.09Å |
| 198 | E | 98.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 63 Ų | 63 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.4 | -34.2 | 177.8 | -58.3 | -42 | 120.9 | 0 | 0 | 112.7 | F124 N194 F195 K201 H202 | F124-E198 HydrophobicContact CE1-CB 4.19Å; F124-E198 HydrophobicContact CE1-CG 3.96Å; F124-E198 HydrophobicContact CZ-CG 4.34Å; N194-E198 PolarHBondContact O-N 2.97Å; F195-E198 PolarHBondContact O-N 3.49Å; E198-K201 VanDerWaalsContact CD-NZ 3.26Å; E198-K201 PolarHBondContact O-N 3.04Å; E198-K201 IonicContact OE1-NZ 3.99Å; E198-K201 PolarHBondContact OE1-NZ 2.87Å; E198-K201 WeakPolarHBondContact OE2-CD 3.49Å; E198-K201 IonicContact OE2-NZ 3.87Å; E198-K201 PolarHBondContact OE2-NZ 2.71Å; E198-K201 VanDerWaalsContact OE2-NZ 3.1Å; E198-H202 VanDerWaalsContact O-CB 3.27Å; E198-H202 WeakPolarHBondContact O-CB 3.31Å; E198-H202 PolarHBondContact O-N 2.88Å |
| 199 | Q | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 171.9 | -173.4 | -177.4 | 68.6 | 0 | 0 | 111.2 | L125 F195 H202 F203 | L125-Q199 HydrophobicContact CD1-CB 3.96Å; F195-Q199 HydrophobicContact CE1-CB 4.44Å; F195-Q199 HydrophobicContact CZ-CB 4.29Å; F195-Q199 HydrophobicContact CZ-CG 4.44Å; F195-Q199 VanDerWaalsContact O-CB 3.22Å; F195-Q199 WeakPolarHBondContact O-CB 3.49Å; F195-Q199 PolarHBondContact O-N 3.07Å; Q199-H202 PolarHBondContact O-N 2.86Å; Q199-F203 HydrophobicContact CG-CD2 3.85Å; Q199-F203 HydrophobicContact CG-CE2 3.79Å; Q199-F203 WeakPolarHBondContact O-CD2 3.35Å; Q199-F203 PolarHBondContact O-N 3.47Å |
| 200 | W | 98.5 | Very high | 98.3 | Very high | 162 Ų | 162 | 63.2 Ų | 63.2 | 61% | 0.614 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 176.5 | -176.1 | 87.9 | 0 | 0 | 0 | 111.3 | N196 G197 H202 F203 N204 | N196-W200 WeakPolarHBondContact O-CB 3.44Å; N196-W200 PolarHBondContact O-N 3.47Å; G197-W200 PolarHBondContact O-N 3.02Å; W200-H202 VanDerWaalsContact C-N 3.33Å; W200-H202 PolarHBondContact O-N 2.66Å; W200-F203 PolarHBondContact O-N 3.03Å; W200-N204 HydrophobicContact CD2-CB 4.13Å; W200-N204 HydrophobicContact CE3-CB 4.49Å; W200-N204 HydrophobicContact CH2-CB 4.2Å; W200-N204 HydrophobicContact CZ2-CB 3.81Å; W200-N204 PolarHBondContact NE1-ND2 3.33Å; W200-N204 VanDerWaalsContact O-CB 3.24Å; W200-N204 WeakPolarHBondContact O-CB 3.34Å; W200-N204 PolarHBondContact O-N 2.89Å; W200-N204 PolarHBondContact O-ND2 3.04Å |
| 201 | K | 98.3 | Very high | 98.3 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 176 | -72 | 162.3 | 173.1 | 175.8 | 0 | 112.4 | G197 E198 N205 S206 | G197-K201 WeakPolarHBondContact O-CG 3.49Å; G197-K201 PolarHBondContact O-N 3.44Å; G197-K201 VanDerWaalsContact O-N 3.09Å; E198-K201 VanDerWaalsContact CD-NZ 3.26Å; E198-K201 PolarHBondContact O-N 3.04Å; E198-K201 IonicContact OE1-NZ 3.99Å; E198-K201 PolarHBondContact OE1-NZ 2.87Å; E198-K201 WeakPolarHBondContact OE2-CD 3.49Å; E198-K201 IonicContact OE2-NZ 3.87Å; E198-K201 PolarHBondContact OE2-NZ 2.71Å; E198-K201 VanDerWaalsContact OE2-NZ 3.1Å; K201-N205 WeakPolarHBondContact O-CA 3.38Å; K201-N205 WeakPolarHBondContact O-CB 3.34Å; K201-N205 PolarHBondContact O-N 2.81Å; K201-S206 PolarHBondContact O-N 3.2Å |
| 202 | H | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -59.4 | -50 | -178.2 | -178.8 | 100.1 | 0 | 0 | 0 | 111.3 | A121 L125 E198 Q199 W200 S206 I207 | A121-H202 VanDerWaalsContact C-CE1 3.46Å; A121-H202 PolarHBondContact O-CE1 2.99Å; A121-H202 VanDerWaalsContact O-CE1 3.24Å; A121-H202 PolarHBondContact O-ND1 2.84Å; L125-H202 HydrophobicContact CD2-CB 4.02Å; E198-H202 VanDerWaalsContact O-CB 3.27Å; E198-H202 WeakPolarHBondContact O-CB 3.31Å; E198-H202 PolarHBondContact O-N 2.88Å; Q199-H202 PolarHBondContact O-N 2.86Å; W200-H202 VanDerWaalsContact C-N 3.33Å; W200-H202 PolarHBondContact O-N 2.66Å; H202-S206 PolarHBondContact O-N 2.88Å; H202-I207 VanDerWaalsContact NE2-CG1 3.29Å; H202-I207 WeakPolarHBondContact NE2-CG1 3.43Å; H202-I207 WeakPolarHBondContact O-CB 3.31Å; H202-I207 PolarHBondContact O-N 3.23Å |
| 203 | F | 98.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -85.7 | -23.1 | -177.3 | -64.9 | -62.3 | 0 | 0 | 0 | 115.1 | W8 L125 Q199 W200 P208 | W8-F203 AromaticContact CE3-CD1 3.58Å; W8-F203 HydrophobicContact CE3-CD1 3.58Å; W8-F203 AromaticContact CE3-CE1 3.45Å; W8-F203 HydrophobicContact CE3-CE1 3.45Å; W8-F203 VanDerWaalsContact CE3-CE1 3.45Å; W8-F203 HydrophobicContact CE3-CZ 4.38Å; W8-F203 AromaticContact CZ3-CD1 3.97Å; W8-F203 HydrophobicContact CZ3-CD1 3.97Å; W8-F203 AromaticContact CZ3-CE1 3.49Å; W8-F203 HydrophobicContact CZ3-CE1 3.49Å; W8-F203 VanDerWaalsContact CZ3-CE1 3.49Å; W8-F203 AromaticContact CZ3-CZ 4Å; W8-F203 HydrophobicContact CZ3-CZ 4Å; L125-F203 HydrophobicContact CD2-CE2 3.94Å; L125-F203 HydrophobicContact CD2-CZ 4.12Å; Q199-F203 HydrophobicContact CG-CD2 3.85Å; Q199-F203 HydrophobicContact CG-CE2 3.79Å; Q199-F203 WeakPolarHBondContact O-CD2 3.35Å; Q199-F203 PolarHBondContact O-N 3.47Å; W200-F203 PolarHBondContact O-N 3.03Å; F203-P208 VanDerWaalsContact O-CD 3.32Å; F203-P208 WeakPolarHBondContact O-CD 3.35Å; F203-P208 WeakPolarHBondContact O-CG 3.4Å |
| 204 | N | 97.3 | Very high | 98.3 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -101.9 | -6.8 | -177.9 | -63.7 | -99.8 | 0 | 0 | 0 | 113.7 | W200 | W200-N204 HydrophobicContact CD2-CB 4.13Å; W200-N204 HydrophobicContact CE3-CB 4.49Å; W200-N204 HydrophobicContact CH2-CB 4.2Å; W200-N204 HydrophobicContact CZ2-CB 3.81Å; W200-N204 PolarHBondContact NE1-ND2 3.33Å; W200-N204 VanDerWaalsContact O-CB 3.24Å; W200-N204 WeakPolarHBondContact O-CB 3.34Å; W200-N204 PolarHBondContact O-N 2.89Å; W200-N204 PolarHBondContact O-ND2 3.04Å |
| 205 | N | 96.7 | Very high | 98.3 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -139.2 | -62 | 179.6 | -174.1 | -1.3 | 0 | 0 | 0 | 112.1 | K201 P208 Q209 | K201-N205 WeakPolarHBondContact O-CA 3.38Å; K201-N205 WeakPolarHBondContact O-CB 3.34Å; K201-N205 PolarHBondContact O-N 2.81Å; N205-P208 WeakPolarHBondContact O-CD 3.4Å; N205-Q209 WeakPolarHBondContact O-CB 3.31Å; N205-Q209 PolarHBondContact O-N 3.23Å |
| 206 | S | 97.5 | Very high | 98.3 | Very high | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -64.1 | -59 | -168.7 | -52.4 | 0 | 0 | 0 | 0 | 113.7 | K201 H202 Q209 I210 | K201-S206 PolarHBondContact O-N 3.2Å; H202-S206 PolarHBondContact O-N 2.88Å; S206-Q209 PolarHBondContact O-N 3.44Å; S206-I210 WeakPolarHBondContact O-CD1 3.48Å; S206-I210 VanDerWaalsContact O-CG1 3.23Å; S206-I210 WeakPolarHBondContact O-CG1 3.21Å; S206-I210 PolarHBondContact O-N 2.97Å |
| 207 | I | 97.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -46 | 177.8 | -66.5 | -62.3 | 0 | 0 | 0 | 111.5 | W8 H202 Q209 I210 F211 | W8-I207 HydrophobicContact CB-CG2 4.44Å; H202-I207 VanDerWaalsContact NE2-CG1 3.29Å; H202-I207 WeakPolarHBondContact NE2-CG1 3.43Å; H202-I207 WeakPolarHBondContact O-CB 3.31Å; H202-I207 PolarHBondContact O-N 3.23Å; I207-Q209 VanDerWaalsContact C-N 3.32Å; I207-Q209 PolarHBondContact O-N 2.87Å; I207-I210 PolarHBondContact O-N 3.12Å; I207-F211 HydrophobicContact CG2-CD2 3.67Å; I207-F211 HydrophobicContact CG2-CE1 4.44Å; I207-F211 HydrophobicContact CG2-CE2 3.55Å; I207-F211 HydrophobicContact CG2-CG 4.17Å; I207-F211 HydrophobicContact CG2-CZ 3.97Å; I207-F211 WeakPolarHBondContact O-CB 3.4Å; I207-F211 PolarHBondContact O-N 2.85Å |
| 208 | P | 98.3 | Very high | 98.3 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.3 | -45.1 | 175.2 | -30 | 34.1 | 0 | 0 | 0 | 114.6 | G4 F203 N205 K212 | G4-P208 VanDerWaalsContact O-CA 3.31Å; G4-P208 WeakPolarHBondContact O-CA 3.23Å; G4-P208 VanDerWaalsContact O-CB 3.31Å; G4-P208 WeakPolarHBondContact O-CB 3.15Å; G4-P208 WeakPolarHBondContact O-CG 3.49Å; F203-P208 VanDerWaalsContact O-CD 3.32Å; F203-P208 WeakPolarHBondContact O-CD 3.35Å; F203-P208 WeakPolarHBondContact O-CG 3.4Å; N205-P208 WeakPolarHBondContact O-CD 3.4Å; P208-K212 WeakPolarHBondContact O-CB 3.26Å; P208-K212 PolarHBondContact O-N 2.89Å |
| 209 | Q | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.3 | -37.5 | -179.1 | -173.1 | 56.4 | 62.8 | 0 | 0 | 112.5 | N205 S206 I207 K212 N213 | N205-Q209 WeakPolarHBondContact O-CB 3.31Å; N205-Q209 PolarHBondContact O-N 3.23Å; S206-Q209 PolarHBondContact O-N 3.44Å; I207-Q209 VanDerWaalsContact C-N 3.32Å; I207-Q209 PolarHBondContact O-N 2.87Å; Q209-K212 PolarHBondContact O-N 3.05Å; Q209-N213 PolarHBondContact NE2-OD1 3.25Å; Q209-N213 PolarHBondContact O-N 3.33Å; Q209-N213 PolarHBondContact O-OD1 3.13Å |
| 210 | I | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 178 | -66.7 | 163.7 | 0 | 0 | 0 | 110.8 | H114 E117 A121 S206 I207 N213 L214 | H114-I210 WeakPolarHBondContact O-CG2 3.4Å; E117-I210 HydrophobicContact CB-CD1 4.14Å; E117-I210 HydrophobicContact CB-CG1 4.43Å; A121-I210 HydrophobicContact CB-CD1 4.33Å; S206-I210 WeakPolarHBondContact O-CD1 3.48Å; S206-I210 VanDerWaalsContact O-CG1 3.23Å; S206-I210 WeakPolarHBondContact O-CG1 3.21Å; S206-I210 PolarHBondContact O-N 2.97Å; I207-I210 PolarHBondContact O-N 3.12Å; I210-N213 WeakPolarHBondContact O-CB 3.45Å; I210-N213 PolarHBondContact O-N 2.94Å; I210-L214 PolarHBondContact O-N 3.29Å |
| 211 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.2 | -31.1 | 178.1 | -72 | 0.1 | 0 | 0 | 0 | 112.7 | W3 L7 F11 L14 I207 N213 L214 Q215 | W3-F211 HydrophobicContact CB-CB 4.2Å; L7-F211 VanDerWaalsContact O-CE2 3.22Å; L7-F211 WeakPolarHBondContact O-CE2 3.37Å; F11-F211 HydrophobicContact CB-CZ 4.04Å; F11-F211 AromaticContact CD2-CE1 3.63Å; F11-F211 HydrophobicContact CD2-CE1 3.63Å; F11-F211 AromaticContact CD2-CZ 3.8Å; F11-F211 HydrophobicContact CD2-CZ 3.8Å; F11-F211 HydrophobicContact CE2-CE1 4.19Å; F11-F211 HydrophobicContact CG-CZ 4.39Å; L14-F211 HydrophobicContact CD1-CB 4.28Å; L14-F211 HydrophobicContact CD1-CD1 3.85Å; L14-F211 HydrophobicContact CD1-CD2 3.61Å; L14-F211 HydrophobicContact CD1-CE1 4.01Å; L14-F211 HydrophobicContact CD1-CE2 3.79Å; L14-F211 HydrophobicContact CD1-CG 3.65Å; L14-F211 HydrophobicContact CD1-CZ 3.98Å; I207-F211 HydrophobicContact CG2-CD2 3.67Å; I207-F211 HydrophobicContact CG2-CE1 4.44Å; I207-F211 HydrophobicContact CG2-CE2 3.55Å; I207-F211 HydrophobicContact CG2-CG 4.17Å; I207-F211 HydrophobicContact CG2-CZ 3.97Å; I207-F211 WeakPolarHBondContact O-CB 3.4Å; I207-F211 PolarHBondContact O-N 2.85Å; F211-N213 VanDerWaalsContact C-N 3.31Å; F211-L214 HydrophobicContact CD1-CD1 4.03Å; F211-L214 HydrophobicContact CE1-CD1 4.44Å; F211-L214 PolarHBondContact O-N 2.77Å; F211-Q215 WeakPolarHBondContact O-CB 3.2Å; F211-Q215 PolarHBondContact O-N 3.2Å |
| 212 | K | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 48.5 Ų | 48.5 | 53% | 0.53 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 168 | -178.2 | 179.6 | 177.1 | -175.5 | 0 | 112.2 | P208 Q209 Q215 G216 | P208-K212 WeakPolarHBondContact O-CB 3.26Å; P208-K212 PolarHBondContact O-N 2.89Å; Q209-K212 PolarHBondContact O-N 3.05Å; K212-Q215 PolarHBondContact O-N 3.3Å; K212-G216 PolarHBondContact O-N 2.94Å |
| 213 | N | 98.6 | Very high | 98.3 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 174.9 | -67 | -4.8 | 0 | 0 | 0 | 111.4 | Q209 I210 F211 Q215 G216 M217 | Q209-N213 PolarHBondContact NE2-OD1 3.25Å; Q209-N213 PolarHBondContact O-N 3.33Å; Q209-N213 PolarHBondContact O-OD1 3.13Å; I210-N213 WeakPolarHBondContact O-CB 3.45Å; I210-N213 PolarHBondContact O-N 2.94Å; F211-N213 VanDerWaalsContact C-N 3.31Å; N213-Q215 VanDerWaalsContact C-N 3.33Å; N213-Q215 PolarHBondContact O-N 2.68Å; N213-G216 PolarHBondContact O-N 3.17Å; N213-M217 WeakPolarHBondContact O-CB 3.22Å; N213-M217 PolarHBondContact O-N 2.93Å |
| 214 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 173.1 | -73.7 | 172.9 | 0 | 0 | 0 | 112.1 | W3 H114 L115 I210 F211 M217 D218 | W3-L214 HydrophobicContact CE3-CB 4.27Å; W3-L214 HydrophobicContact CZ3-CB 4.18Å; H114-L214 HydrophobicContact CB-CD2 3.61Å; H114-L214 HydrophobicContact CB-CG 3.93Å; L115-L214 HydrophobicContact CD2-CD1 4.02Å; L115-L214 HydrophobicContact CG-CD2 4.43Å; I210-L214 PolarHBondContact O-N 3.29Å; F211-L214 HydrophobicContact CD1-CD1 4.03Å; F211-L214 HydrophobicContact CE1-CD1 4.44Å; F211-L214 PolarHBondContact O-N 2.77Å; L214-M217 HydrophobicContact CD2-CE 3.93Å; L214-M217 WeakPolarHBondContact O-CB 3.07Å; L214-M217 PolarHBondContact O-N 3.31Å; L214-D218 WeakPolarHBondContact O-CB 3.31Å; L214-D218 PolarHBondContact O-N 3.44Å |
| 215 | Q | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -50.3 | 175.8 | -174.7 | 179.4 | -19 | 0 | 0 | 111.2 | W3 F211 K212 N213 M217 D218 E219 | W3-Q215 HydrophobicContact CB-CB 4.23Å; W3-Q215 HydrophobicContact CD2-CB 3.59Å; W3-Q215 HydrophobicContact CD2-CG 3.85Å; W3-Q215 HydrophobicContact CE3-CB 3.64Å; W3-Q215 HydrophobicContact CE3-CG 4.34Å; W3-Q215 HydrophobicContact CG-CB 3.85Å; W3-Q215 HydrophobicContact CG-CG 3.97Å; W3-Q215 HydrophobicContact CZ3-CB 4.29Å; F211-Q215 WeakPolarHBondContact O-CB 3.2Å; F211-Q215 PolarHBondContact O-N 3.2Å; K212-Q215 PolarHBondContact O-N 3.3Å; N213-Q215 VanDerWaalsContact C-N 3.33Å; N213-Q215 PolarHBondContact O-N 2.68Å; Q215-M217 PolarHBondContact O-N 2.95Å; Q215-D218 PolarHBondContact O-N 3.47Å; Q215-D218 VanDerWaalsContact O-N 3.11Å; Q215-E219 HydrophobicContact CG-CG 4.33Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.4Å; Q215-E219 PolarHBondContact NE2-OE1 3.48Å; Q215-E219 WeakPolarHBondContact O-CB 3.22Å; Q215-E219 WeakPolarHBondContact O-CG 3.4Å; Q215-E219 PolarHBondContact O-N 3.33Å |
| 216 | G | 98.8 | Very high | 98.5 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.8 | -20.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K212 N213 R220 | K212-G216 PolarHBondContact O-N 2.94Å; N213-G216 PolarHBondContact O-N 3.17Å; G216-R220 WeakPolarHBondContact O-CB 3.46Å; G216-R220 VanDerWaalsContact O-CG 3.3Å; G216-R220 WeakPolarHBondContact O-CG 3.46Å; G216-R220 PolarHBondContact O-N 2.86Å; G216-R220 PolarHBondContact O-NE 2.99Å |
| 217 | M | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.8 | -45.1 | 169 | 178.3 | -159.1 | 74 | 0 | 0 | 111.4 | T18 L107 E110 R111 N213 L214 Q215 R220 R221 | T18-M217 HydrophobicContact CG2-CE 3.78Å; L107-M217 HydrophobicContact CD2-CG 3.6Å; L107-M217 HydrophobicContact CD2-SD 4.46Å; E110-M217 HydrophobicContact CB-SD 4.32Å; E110-M217 HydrophobicContact CG-CG 4.23Å; E110-M217 HydrophobicContact CG-SD 4.11Å; R111-M217 VanDerWaalsContact CA-SD 3.53Å; R111-M217 HydrophobicContact CB-CE 3.94Å; R111-M217 HydrophobicContact CB-SD 3.68Å; R111-M217 HydrophobicContact CG-CE 4.13Å; R111-M217 HydrophobicContact CG-SD 4.49Å; R111-M217 PolarHBondContact N-SD 2.89Å; N213-M217 WeakPolarHBondContact O-CB 3.22Å; N213-M217 PolarHBondContact O-N 2.93Å; L214-M217 HydrophobicContact CD2-CE 3.93Å; L214-M217 WeakPolarHBondContact O-CB 3.07Å; L214-M217 PolarHBondContact O-N 3.31Å; Q215-M217 PolarHBondContact O-N 2.95Å; M217-R220 PolarHBondContact O-N 2.95Å; M217-R221 PolarHBondContact O-N 3.3Å |
| 218 | D | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 179 | -154.2 | 86.9 | 0 | 0 | 0 | 112.3 | W3 H17 L214 Q215 R221 T222 | W3-D218 HydrophobicContact CH2-CB 3.46Å; W3-D218 VanDerWaalsContact CH2-CB 3.46Å; W3-D218 VanDerWaalsContact CH2-CG 3.46Å; W3-D218 HydrophobicContact CZ2-CB 4.22Å; W3-D218 HydrophobicContact CZ3-CB 4.05Å; H17-D218 IonicContact CD2-OD1 2.81Å; H17-D218 PolarHBondContact CD2-OD1 3.33Å; H17-D218 VanDerWaalsContact CD2-OD1 3.25Å; H17-D218 IonicContact CD2-OD2 2.83Å; H17-D218 IonicContact CE1-OD2 3.3Å; H17-D218 VanDerWaalsContact NE2-CG 3.3Å; H17-D218 IonicContact NE2-OD1 2.61Å; H17-D218 PolarHBondContact NE2-OD1 3.28Å; H17-D218 VanDerWaalsContact NE2-OD1 3.17Å; H17-D218 IonicContact NE2-OD2 2.69Å; H17-D218 PolarHBondContact NE2-OD2 3.22Å; L214-D218 WeakPolarHBondContact O-CB 3.31Å; L214-D218 PolarHBondContact O-N 3.44Å; Q215-D218 PolarHBondContact O-N 3.47Å; Q215-D218 VanDerWaalsContact O-N 3.11Å; D218-R221 VanDerWaalsContact CG-NH2 3.28Å; D218-R221 PolarHBondContact O-N 2.88Å; D218-R221 PolarHBondContact O-NH2 3Å; D218-R221 IonicContact OD1-CZ 3.87Å; D218-R221 IonicContact OD1-NH1 2.61Å; D218-R221 PolarHBondContact OD1-NH1 3.02Å; D218-R221 IonicContact OD1-NH2 2.79Å; D218-R221 IonicContact OD2-CZ 3.33Å; D218-R221 IonicContact OD2-NH1 3.1Å; D218-R221 PolarHBondContact OD2-NH1 3.36Å; D218-R221 IonicContact OD2-NH2 2.63Å; D218-R221 PolarHBondContact OD2-NH2 2.84Å; D218-T222 PolarHBondContact O-N 3.23Å; D218-T222 PolarHBondContact O-OG1 3.08Å |
| 219 | E | 98.8 | Very high | 98.6 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 174 | -72 | 172.7 | 177 | 0 | 0 | 111.3 | Q215 R221 T222 V223 | Q215-E219 HydrophobicContact CG-CG 4.33Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.4Å; Q215-E219 PolarHBondContact NE2-OE1 3.48Å; Q215-E219 WeakPolarHBondContact O-CB 3.22Å; Q215-E219 WeakPolarHBondContact O-CG 3.4Å; Q215-E219 PolarHBondContact O-N 3.33Å; E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 2.97Å; E219-T222 PolarHBondContact O-N 3.33Å; E219-V223 WeakPolarHBondContact O-CG2 3.28Å; E219-V223 PolarHBondContact O-N 3.39Å |
| 220 | R | 98.8 | Very high | 98.6 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 173.9 | -86.6 | -178.8 | -69.4 | 138.5 | -6.1 | 112.2 | Y103 E110 G216 M217 T222 V223 K224 | Y103-R220 PolarHBondContact OH-O 3.4Å; E110-R220 VanDerWaalsContact CD-NH2 3.28Å; E110-R220 IonicContact OE1-CZ 2.69Å; E110-R220 IonicContact OE1-NH1 2.87Å; E110-R220 PolarHBondContact OE1-NH1 2.88Å; E110-R220 IonicContact OE1-NH2 2.7Å; E110-R220 PolarHBondContact OE1-NH2 3.15Å; E110-R220 IonicContact OE2-CZ 2.74Å; E110-R220 IonicContact OE2-NH1 3.79Å; E110-R220 PolarHBondContact OE2-NH1 3.05Å; E110-R220 IonicContact OE2-NH2 2.95Å; E110-R220 PolarHBondContact OE2-NH2 2.98Å; G216-R220 WeakPolarHBondContact O-CB 3.46Å; G216-R220 VanDerWaalsContact O-CG 3.3Å; G216-R220 WeakPolarHBondContact O-CG 3.46Å; G216-R220 PolarHBondContact O-N 2.86Å; G216-R220 PolarHBondContact O-NE 2.99Å; M217-R220 PolarHBondContact O-N 2.95Å; R220-T222 VanDerWaalsContact C-N 3.34Å; R220-T222 PolarHBondContact O-N 3.48Å; R220-V223 PolarHBondContact O-N 2.95Å; R220-K224 WeakPolarHBondContact O-CB 2.82Å; R220-K224 PolarHBondContact O-N 2.94Å |
| 221 | R | 98.7 | Very high | 98.6 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 6% | 0.06 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -48 | 175.5 | 179.2 | -145.1 | 59.6 | -124.3 | -12.7 | 110.8 | G21 L25 Y103 L107 M217 D218 E219 V223 K224 L225 | G21-R221 VanDerWaalsContact O-CD 3.31Å; G21-R221 WeakPolarHBondContact O-CD 3.28Å; L25-R221 HydrophobicContact CD1-CG 3.72Å; Y103-R221 WeakPolarHBondContact OH-CA 3.44Å; Y103-R221 PolarHBondContact OH-N 3.38Å; L107-R221 HydrophobicContact CD1-CB 3.8Å; L107-R221 HydrophobicContact CD1-CG 3.67Å; L107-R221 HydrophobicContact CD2-CB 4.39Å; M217-R221 PolarHBondContact O-N 3.3Å; D218-R221 VanDerWaalsContact CG-NH2 3.28Å; D218-R221 PolarHBondContact O-N 2.88Å; D218-R221 PolarHBondContact O-NH2 3Å; D218-R221 IonicContact OD1-CZ 3.87Å; D218-R221 IonicContact OD1-NH1 2.61Å; D218-R221 PolarHBondContact OD1-NH1 3.02Å; D218-R221 IonicContact OD1-NH2 2.79Å; D218-R221 IonicContact OD2-CZ 3.33Å; D218-R221 IonicContact OD2-NH1 3.1Å; D218-R221 PolarHBondContact OD2-NH1 3.36Å; D218-R221 IonicContact OD2-NH2 2.63Å; D218-R221 PolarHBondContact OD2-NH2 2.84Å; E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 2.97Å; R221-V223 PolarHBondContact O-N 3.41Å; R221-K224 PolarHBondContact O-N 3.14Å; R221-L225 WeakPolarHBondContact O-CB 3.48Å; R221-L225 PolarHBondContact O-N 2.9Å |
| 222 | T | 98.4 | Very high | 98.6 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | D218 E219 R220 G226 | D218-T222 PolarHBondContact O-N 3.23Å; D218-T222 PolarHBondContact O-OG1 3.08Å; E219-T222 PolarHBondContact O-N 3.33Å; R220-T222 VanDerWaalsContact C-N 3.34Å; R220-T222 PolarHBondContact O-N 3.48Å; T222-G226 PolarHBondContact O-N 2.96Å; T222-G226 VanDerWaalsContact O-N 3.17Å |
| 223 | V | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 174.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | E219 R220 R221 L225 G226 E227 | E219-V223 WeakPolarHBondContact O-CG2 3.28Å; E219-V223 PolarHBondContact O-N 3.39Å; R220-V223 PolarHBondContact O-N 2.95Å; R221-V223 PolarHBondContact O-N 3.41Å; V223-L225 VanDerWaalsContact C-N 3.29Å; V223-L225 PolarHBondContact O-N 3.28Å; V223-G226 CarbonylContact O-C 3.57Å; V223-G226 WeakPolarHBondContact O-CA 3.39Å; V223-G226 PolarHBondContact O-N 2.95Å; V223-E227 PolarHBondContact O-N 3.24Å |
| 224 | K | 98.4 | Very high | 98.6 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | -178.6 | -173.8 | 54.6 | 167 | -174.4 | 0 | 112.8 | E99 Y103 R220 R221 E227 T228 | E99-K224 WeakPolarHBondContact OE1-CE 3.4Å; E99-K224 IonicContact OE1-NZ 3.11Å; E99-K224 PolarHBondContact OE1-NZ 3.4Å; Y103-K224 HydrophobicContact CD1-CB 4.16Å; Y103-K224 HydrophobicContact CD1-CG 3.54Å; Y103-K224 HydrophobicContact CE1-CB 3.52Å; Y103-K224 HydrophobicContact CE1-CG 3.43Å; Y103-K224 VanDerWaalsContact CE1-CG 3.43Å; Y103-K224 HydrophobicContact CG-CG 4.14Å; R220-K224 WeakPolarHBondContact O-CB 2.82Å; R220-K224 PolarHBondContact O-N 2.94Å; R221-K224 PolarHBondContact O-N 3.14Å; K224-E227 WeakPolarHBondContact CD-OE2 3.25Å; K224-E227 IonicContact NZ-OE2 2.67Å; K224-E227 WeakPolarHBondContact O-CB 3.29Å; K224-E227 PolarHBondContact O-N 2.63Å; K224-T228 WeakPolarHBondContact O-CG2 3.47Å; K224-T228 PolarHBondContact O-N 3.36Å; K224-T228 PolarHBondContact O-OG1 3.02Å |
| 225 | L | 98.3 | Very high | 98.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 173.2 | -172.4 | 59.1 | 0 | 0 | 0 | 111.6 | F24 Y28 L100 R221 V223 E227 T228 Y229 | F24-L225 HydrophobicContact CD1-CD2 3.89Å; F24-L225 HydrophobicContact CE1-CD2 3.82Å; Y28-L225 HydrophobicContact CD1-CD1 3.56Å; Y28-L225 HydrophobicContact CE1-CD1 4.24Å; Y28-L225 HydrophobicContact CG-CD1 4.2Å; L100-L225 HydrophobicContact CD2-CD1 4.36Å; R221-L225 WeakPolarHBondContact O-CB 3.48Å; R221-L225 PolarHBondContact O-N 2.9Å; V223-L225 VanDerWaalsContact C-N 3.29Å; V223-L225 PolarHBondContact O-N 3.28Å; L225-E227 VanDerWaalsContact C-N 3.31Å; L225-E227 PolarHBondContact O-N 2.62Å; L225-T228 PolarHBondContact O-N 3.46Å; L225-T228 PolarHBondContact O-OG1 2.92Å; L225-Y229 HydrophobicContact CD1-CD1 4.29Å; L225-Y229 HydrophobicContact CD1-CE1 3.62Å; L225-Y229 HydrophobicContact CG-CE1 3.86Å; L225-Y229 HydrophobicContact CG-CE2 4.14Å; L225-Y229 WeakPolarHBondContact O-CD1 3.42Å; L225-Y229 VanDerWaalsContact O-CG 3.24Å; L225-Y229 PolarHBondContact O-N 3.31Å |
| 226 | G | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 51 Ų | 51 | 32% | 0.32 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T222 V223 R230 | T222-G226 PolarHBondContact O-N 2.96Å; T222-G226 VanDerWaalsContact O-N 3.17Å; V223-G226 CarbonylContact O-C 3.57Å; V223-G226 WeakPolarHBondContact O-CA 3.39Å; V223-G226 PolarHBondContact O-N 2.95Å; G226-R230 PolarHBondContact O-N 3.27Å |
| 227 | E | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 170.5 | -66.9 | 177.9 | 167.5 | 0 | 0 | 112.2 | V223 K224 L225 R230 S231 | V223-E227 PolarHBondContact O-N 3.24Å; K224-E227 WeakPolarHBondContact CD-OE2 3.25Å; K224-E227 IonicContact NZ-OE2 2.67Å; K224-E227 WeakPolarHBondContact O-CB 3.29Å; K224-E227 PolarHBondContact O-N 2.63Å; L225-E227 VanDerWaalsContact C-N 3.31Å; L225-E227 PolarHBondContact O-N 2.62Å; E227-R230 WeakPolarHBondContact O-CB 3.37Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-R230 VanDerWaalsContact O-N 3.13Å; E227-S231 PolarHBondContact O-N 2.83Å; E227-S231 PolarHBondContact O-OG 3.25Å |
| 228 | T | 98.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.4 | -33.2 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | L100 K224 L225 R230 S231 F232 | L100-T228 HydrophobicContact CD2-CG2 3.96Å; L100-T228 HydrophobicContact CG-CG2 4.01Å; K224-T228 WeakPolarHBondContact O-CG2 3.47Å; K224-T228 PolarHBondContact O-N 3.36Å; K224-T228 PolarHBondContact O-OG1 3.02Å; L225-T228 PolarHBondContact O-N 3.46Å; L225-T228 PolarHBondContact O-OG1 2.92Å; T228-R230 VanDerWaalsContact C-N 3.28Å; T228-R230 PolarHBondContact O-N 2.86Å; T228-S231 PolarHBondContact O-N 2.93Å; T228-F232 WeakPolarHBondContact O-CB 3.07Å; T228-F232 PolarHBondContact O-N 3.17Å |
| 229 | Y | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 62 Ų | 62 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.5 | -40.4 | 166.4 | -67.6 | -10.5 | 0 | 0 | 0 | 112.3 | F24 Y28 L225 A233 | F24-Y229 WeakPolarHBondContact CE1-OH 3.37Å; Y28-Y229 HydrophobicContact CD1-CD1 4.09Å; Y28-Y229 AromaticContact CD1-CE1 3.66Å; Y28-Y229 HydrophobicContact CD1-CE1 3.66Å; Y28-Y229 HydrophobicContact CD2-CD1 4.43Å; Y28-Y229 AromaticContact CD2-CE1 3.79Å; Y28-Y229 HydrophobicContact CD2-CE1 3.79Å; Y28-Y229 AromaticContact CE1-CD1 3.51Å; Y28-Y229 HydrophobicContact CE1-CD1 3.51Å; Y28-Y229 AromaticContact CE1-CE1 3.58Å; Y28-Y229 HydrophobicContact CE1-CE1 3.58Å; Y28-Y229 AromaticContact CE2-CD1 3.92Å; Y28-Y229 HydrophobicContact CE2-CD1 3.92Å; Y28-Y229 AromaticContact CE2-CE1 3.74Å; Y28-Y229 HydrophobicContact CE2-CE1 3.74Å; Y28-Y229 AromaticContact CG-CE1 3.77Å; Y28-Y229 HydrophobicContact CG-CE1 3.77Å; Y28-Y229 AromaticContact CZ-CD1 3.44Å; Y28-Y229 VanDerWaalsContact CZ-CD1 3.44Å; Y28-Y229 AromaticContact CZ-CE1 3.65Å; L225-Y229 HydrophobicContact CD1-CD1 4.29Å; L225-Y229 HydrophobicContact CD1-CE1 3.62Å; L225-Y229 HydrophobicContact CG-CE1 3.86Å; L225-Y229 HydrophobicContact CG-CE2 4.14Å; L225-Y229 WeakPolarHBondContact O-CD1 3.42Å; L225-Y229 VanDerWaalsContact O-CG 3.24Å; L225-Y229 PolarHBondContact O-N 3.31Å; Y229-A233 PolarHBondContact O-N 2.94Å |
| 230 | R | 98.6 | Very high | 98.4 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 54% | 0.543 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -51.6 | 174.5 | -167 | -172.3 | -55.5 | 108.2 | 4.7 | 110.7 | G226 E227 T228 F232 A233 E234 | G226-R230 PolarHBondContact O-N 3.27Å; E227-R230 WeakPolarHBondContact O-CB 3.37Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-R230 VanDerWaalsContact O-N 3.13Å; T228-R230 VanDerWaalsContact C-N 3.28Å; T228-R230 PolarHBondContact O-N 2.86Å; R230-F232 PolarHBondContact O-N 3.01Å; R230-A233 PolarHBondContact O-N 2.92Å; R230-A233 VanDerWaalsContact O-N 3.1Å; R230-E234 HydrophobicContact CG-CG 4.37Å; R230-E234 WeakPolarHBondContact O-CG 3.46Å; R230-E234 PolarHBondContact O-N 2.86Å |
| 231 | S | 98.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.7 | -39.3 | 179.2 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | E227 T228 E234 A235 | E227-S231 PolarHBondContact O-N 2.83Å; E227-S231 PolarHBondContact O-OG 3.25Å; T228-S231 PolarHBondContact O-N 2.93Å; S231-E234 PolarHBondContact O-N 2.81Å; S231-A235 PolarHBondContact O-N 2.96Å |
| 232 | F | 98.6 | Very high | 98.4 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 175.2 | 178.8 | -89.2 | 0 | 0 | 0 | 112.4 | Y28 F31 V32 R35 M92 V96 T228 R230 E234 A235 | Y28-F232 WeakPolarHBondContact OH-CB 3.32Å; F31-F232 HydrophobicContact CE1-CE2 4.28Å; F31-F232 HydrophobicContact CE1-CZ 4.09Å; F31-F232 HydrophobicContact CZ-CZ 4.45Å; V32-F232 HydrophobicContact CG1-CD2 4.46Å; V32-F232 HydrophobicContact CG2-CD2 4.09Å; V32-F232 HydrophobicContact CG2-CE2 4.3Å; R35-F232 HydrophobicContact CB-CE2 4.46Å; R35-F232 HydrophobicContact CG-CE2 3.85Å; R35-F232 HydrophobicContact CG-CZ 3.89Å; M92-F232 HydrophobicContact CE-CD2 4.01Å; M92-F232 HydrophobicContact CE-CE1 4.42Å; M92-F232 HydrophobicContact CE-CE2 3.75Å; M92-F232 HydrophobicContact CE-CG 4.46Å; M92-F232 HydrophobicContact CE-CZ 3.98Å; M92-F232 HydrophobicContact CG-CD2 4.39Å; M92-F232 HydrophobicContact SD-CD2 4.07Å; M92-F232 HydrophobicContact SD-CE2 3.77Å; M92-F232 HydrophobicContact SD-CZ 4.48Å; V96-F232 HydrophobicContact CG1-CB 4.34Å; V96-F232 HydrophobicContact CG2-CB 4.09Å; T228-F232 WeakPolarHBondContact O-CB 3.07Å; T228-F232 PolarHBondContact O-N 3.17Å; R230-F232 PolarHBondContact O-N 3.01Å; F232-E234 VanDerWaalsContact C-N 3.3Å; F232-E234 PolarHBondContact O-N 3.4Å; F232-A235 PolarHBondContact O-N 2.91Å |
| 233 | A | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -27.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y229 R230 R237 | Y229-A233 PolarHBondContact O-N 2.94Å; R230-A233 PolarHBondContact O-N 2.92Å; R230-A233 VanDerWaalsContact O-N 3.1Å; A233-R237 WeakPolarHBondContact O-CB 3.37Å; A233-R237 PolarHBondContact O-N 2.89Å; A233-R237 VanDerWaalsContact O-N 3.11Å |
| 234 | E | 98.4 | Very high | 98.4 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.8 | -30.2 | 176.5 | -67.1 | -151.8 | 159.3 | 0 | 0 | 114.2 | R230 S231 F232 R237 R238 | R230-E234 HydrophobicContact CG-CG 4.37Å; R230-E234 WeakPolarHBondContact O-CG 3.46Å; R230-E234 PolarHBondContact O-N 2.86Å; S231-E234 PolarHBondContact O-N 2.81Å; F232-E234 VanDerWaalsContact C-N 3.3Å; F232-E234 PolarHBondContact O-N 3.4Å; E234-R237 VanDerWaalsContact CD-NH2 3.27Å; E234-R237 PolarHBondContact O-N 2.92Å; E234-R237 IonicContact OE1-CZ 2.7Å; E234-R237 IonicContact OE1-NH1 2.79Å; E234-R237 PolarHBondContact OE1-NH1 2.82Å; E234-R237 IonicContact OE1-NH2 3.8Å; E234-R237 PolarHBondContact OE1-NH2 3.2Å; E234-R238 WeakPolarHBondContact O-CB 3.44Å; E234-R238 WeakPolarHBondContact O-CG 3.23Å; E234-R238 PolarHBondContact O-N 3.23Å; E234-R238 IonicContact OE2-CZ 2.76Å; E234-R238 IonicContact OE2-NE 2.75Å; E234-R238 IonicContact OE2-NH2 3.21Å; E234-R238 PolarHBondContact OE2-NH2 2.82Å |
| 235 | A | 97.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -50.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V88 E91 M92 S231 F232 | V88-A235 HydrophobicContact CG1-CB 4.48Å; E91-A235 HydrophobicContact CB-CB 3.96Å; M92-A235 HydrophobicContact CE-CB 4.48Å; M92-A235 HydrophobicContact CG-CB 3.9Å; S231-A235 PolarHBondContact O-N 2.96Å; F232-A235 PolarHBondContact O-N 2.91Å |
| 236 | E | 97.5 | Very high | 98.4 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 172.9 | -65.2 | -76.3 | -166.3 | 0 | 0 | 111.8 | R35 R85 V88 M92 R238 V239 | R35-E236 IonicContact CZ-OE1 3.84Å; R35-E236 IonicContact NH2-OE1 3.43Å; R35-E236 PolarHBondContact NH2-OE1 2.6Å; R85-E236 IonicContact CZ-OE2 2.84Å; R85-E236 VanDerWaalsContact CZ-OE2 3.28Å; R85-E236 IonicContact NH1-OE2 2.67Å; R85-E236 PolarHBondContact NH1-OE2 2.77Å; R85-E236 IonicContact NH2-OE1 3.42Å; R85-E236 PolarHBondContact NH2-OE1 3Å; R85-E236 VanDerWaalsContact NH2-OE1 3.14Å; R85-E236 IonicContact NH2-OE2 2.61Å; R85-E236 PolarHBondContact NH2-OE2 2.71Å; V88-E236 HydrophobicContact CG1-CG 4.3Å; M92-E236 HydrophobicContact CE-CG 3.8Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.11Å; E236-V239 WeakPolarHBondContact O-CG2 3.32Å; E236-V239 PolarHBondContact O-N 3.18Å |
| 237 | R | 98.4 | Very high | 98.5 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -30.4 | -174.7 | -164 | 178.9 | 74.2 | -135.2 | -2.2 | 113.4 | A233 E234 I240 | A233-R237 WeakPolarHBondContact O-CB 3.37Å; A233-R237 PolarHBondContact O-N 2.89Å; A233-R237 VanDerWaalsContact O-N 3.11Å; E234-R237 VanDerWaalsContact CD-NH2 3.27Å; E234-R237 PolarHBondContact O-N 2.92Å; E234-R237 IonicContact OE1-CZ 2.7Å; E234-R237 IonicContact OE1-NH1 2.79Å; E234-R237 PolarHBondContact OE1-NH1 2.82Å; E234-R237 IonicContact OE1-NH2 3.8Å; E234-R237 PolarHBondContact OE1-NH2 3.2Å; R237-I240 HydrophobicContact CG-CD1 4.44Å |
| 238 | R | 97.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 66.2 Ų | 66.2 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.1 | -29.8 | -177.6 | -75.5 | 170.9 | -161.6 | 167.8 | 12.5 | 113.8 | E91 E234 E236 P241 | E91-R238 IonicContact OE2-CZ 2.89Å; E91-R238 IonicContact OE2-NH1 3.75Å; E91-R238 PolarHBondContact OE2-NH1 2.86Å; E234-R238 WeakPolarHBondContact O-CB 3.44Å; E234-R238 WeakPolarHBondContact O-CG 3.23Å; E234-R238 PolarHBondContact O-N 3.23Å; E234-R238 IonicContact OE2-CZ 2.76Å; E234-R238 IonicContact OE2-NE 2.75Å; E234-R238 IonicContact OE2-NH2 3.21Å; E234-R238 PolarHBondContact OE2-NH2 2.82Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.11Å; R238-P241 WeakPolarHBondContact O-CD 3.35Å |
| 239 | V | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -85.9 | -16.8 | -178.4 | -64 | 0 | 0 | 0 | 0 | 113.9 | Q84 V87 V88 E236 P241 I242 I243 | Q84-V239 HydrophobicContact CB-CB 4.15Å; Q84-V239 HydrophobicContact CB-CG1 4.3Å; V87-V239 HydrophobicContact CB-CG1 4.4Å; V87-V239 HydrophobicContact CG1-CG1 4.07Å; V88-V239 HydrophobicContact CG2-CB 4.21Å; V88-V239 HydrophobicContact CG2-CG1 3.81Å; V88-V239 HydrophobicContact CG2-CG2 3.36Å; E236-V239 WeakPolarHBondContact O-CG2 3.32Å; E236-V239 PolarHBondContact O-N 3.18Å; V239-P241 VanDerWaalsContact C-CD 3.46Å; V239-I242 PolarHBondContact O-N 3.05Å; V239-I243 HydrophobicContact CB-CD1 4.2Å; V239-I243 HydrophobicContact CG2-CD1 3.69Å; V239-I243 PolarHBondContact O-N 3.41Å |
| 240 | I | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -47.6 | -48.1 | -178.8 | -63.7 | 175.9 | 0 | 0 | 0 | 112.8 | R237 I242 I243 T244 | R237-I240 HydrophobicContact CG-CD1 4.44Å; I240-I242 VanDerWaalsContact C-N 3.29Å; I240-I242 PolarHBondContact O-N 3.46Å; I240-I243 PolarHBondContact O-N 3.42Å; I240-T244 PolarHBondContact O-N 3.4Å; I240-T244 PolarHBondContact O-OG1 3.15Å; I240-T244 VanDerWaalsContact O-OG1 3.1Å |
| 241 | P | 98.7 | Very high | 98.5 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.9 | -32.1 | -177.6 | -22.7 | 35.2 | 0 | 0 | 0 | 114 | R238 V239 K245 | R238-P241 WeakPolarHBondContact O-CD 3.35Å; V239-P241 VanDerWaalsContact C-CD 3.46Å; P241-K245 PolarHBondContact O-N 2.96Å; P241-K245 VanDerWaalsContact O-N 3.15Å |
| 242 | I | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 62 Ų | 62 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82.2 | -37.4 | 178.8 | -53.8 | 175 | 0 | 0 | 0 | 110 | Q84 V239 I240 T244 K245 C246 | Q84-I242 HydrophobicContact CG-CB 3.97Å; Q84-I242 HydrophobicContact CG-CG2 3.69Å; V239-I242 PolarHBondContact O-N 3.05Å; I240-I242 VanDerWaalsContact C-N 3.29Å; I240-I242 PolarHBondContact O-N 3.46Å; I242-T244 VanDerWaalsContact C-N 3.34Å; I242-T244 PolarHBondContact O-N 3.48Å; I242-K245 WeakPolarHBondContact O-CB 3.49Å; I242-K245 PolarHBondContact O-N 2.89Å; I242-C246 PolarHBondContact O-N 3.3Å; I242-C246 PolarHBondContact O-SG 3.37Å |
| 243 | I | 98.7 | Very high | 98.5 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 170.2 | -75 | 175 | 0 | 0 | 0 | 111 | Y81 Q84 V239 I240 K245 C246 L247 | Y81-I243 HydrophobicContact CD2-CB 4.36Å; Y81-I243 HydrophobicContact CD2-CG1 3.97Å; Y81-I243 HydrophobicContact CD2-CG2 3.95Å; Y81-I243 HydrophobicContact CE2-CB 4.35Å; Y81-I243 HydrophobicContact CE2-CD1 4.18Å; Y81-I243 HydrophobicContact CE2-CG1 4Å; Y81-I243 HydrophobicContact CE2-CG2 3.62Å; Q84-I243 HydrophobicContact CB-CD1 4.44Å; Q84-I243 HydrophobicContact CB-CG1 4.03Å; Q84-I243 HydrophobicContact CG-CG1 4.41Å; V239-I243 HydrophobicContact CB-CD1 4.2Å; V239-I243 HydrophobicContact CG2-CD1 3.69Å; V239-I243 PolarHBondContact O-N 3.41Å; I240-I243 PolarHBondContact O-N 3.42Å; I243-K245 PolarHBondContact O-N 2.73Å; I243-C246 PolarHBondContact O-N 3.2Å; I243-L247 HydrophobicContact CG2-CD1 4.12Å; I243-L247 WeakPolarHBondContact O-CG 3.28Å; I243-L247 PolarHBondContact O-N 3.25Å |
| 244 | T | 98.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 173.6 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | I240 I242 C246 L247 D248 | I240-T244 PolarHBondContact O-N 3.4Å; I240-T244 PolarHBondContact O-OG1 3.15Å; I240-T244 VanDerWaalsContact O-OG1 3.1Å; I242-T244 VanDerWaalsContact C-N 3.34Å; I242-T244 PolarHBondContact O-N 3.48Å; T244-C246 VanDerWaalsContact C-N 3.32Å; T244-C246 PolarHBondContact O-N 2.97Å; T244-L247 PolarHBondContact O-N 3.01Å; T244-D248 PolarHBondContact O-N 3.34Å |
| 245 | K | 98.8 | Very high | 98.5 | Very high | 124 Ų | 124 | 66.5 Ų | 66.5 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.9 | -43.7 | 175.8 | -174 | -154.9 | 166.3 | -118.8 | 0 | 112.1 | P241 I242 I243 D248 G249 | P241-K245 PolarHBondContact O-N 2.96Å; P241-K245 VanDerWaalsContact O-N 3.15Å; I242-K245 WeakPolarHBondContact O-CB 3.49Å; I242-K245 PolarHBondContact O-N 2.89Å; I243-K245 PolarHBondContact O-N 2.73Å; K245-D248 PolarHBondContact O-N 2.83Å; K245-G249 PolarHBondContact O-N 3.37Å |
| 246 | C | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 178.9 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | E77 I242 I243 T244 G249 M250 | E77-C246 HydrophobicContact CB-CB 4.22Å; E77-C246 WeakPolarHBondContact OE2-CA 3.46Å; E77-C246 PolarHBondContact OE2-SG 3.17Å; I242-C246 PolarHBondContact O-N 3.3Å; I242-C246 PolarHBondContact O-SG 3.37Å; I243-C246 PolarHBondContact O-N 3.2Å; T244-C246 VanDerWaalsContact C-N 3.32Å; T244-C246 PolarHBondContact O-N 2.97Å; C246-G249 PolarHBondContact O-N 2.96Å; C246-M250 WeakPolarHBondContact O-CG 3.19Å; C246-M250 PolarHBondContact O-N 3.41Å |
| 247 | L | 98.8 | Very high | 98.5 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.5 | -64.8 | 169.8 | 0 | 0 | 0 | 111.8 | I243 T244 G249 M250 V251 | I243-L247 HydrophobicContact CG2-CD1 4.12Å; I243-L247 WeakPolarHBondContact O-CG 3.28Å; I243-L247 PolarHBondContact O-N 3.25Å; T244-L247 PolarHBondContact O-N 3.01Å; L247-G249 VanDerWaalsContact C-N 3.28Å; L247-G249 PolarHBondContact O-N 3.45Å; L247-M250 HydrophobicContact CD2-SD 4.38Å; L247-M250 PolarHBondContact O-N 2.67Å; L247-V251 WeakPolarHBondContact O-CG2 3.44Å; L247-V251 PolarHBondContact O-N 3.23Å |
| 248 | D | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -34.7 | 173.1 | -73.9 | -34 | 0 | 0 | 0 | 112 | T244 K245 V251 S252 | T244-D248 PolarHBondContact O-N 3.34Å; K245-D248 PolarHBondContact O-N 2.83Å; D248-V251 PolarHBondContact O-N 2.98Å; D248-S252 VanDerWaalsContact O-CB 3.29Å; D248-S252 WeakPolarHBondContact O-CB 3.44Å; D248-S252 PolarHBondContact O-N 3.5Å; D248-S252 PolarHBondContact O-OG 3.43Å |
| 249 | G | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K245 C246 L247 V251 S252 A253 | K245-G249 PolarHBondContact O-N 3.37Å; C246-G249 PolarHBondContact O-N 2.96Å; L247-G249 VanDerWaalsContact C-N 3.28Å; L247-G249 PolarHBondContact O-N 3.45Å; G249-V251 VanDerWaalsContact C-N 3.35Å; G249-V251 PolarHBondContact O-N 3.18Å; G249-S252 PolarHBondContact O-N 2.91Å; G249-S252 VanDerWaalsContact O-N 3.11Å; G249-A253 PolarHBondContact O-N 3.05Å |
| 250 | M | 98.8 | Very high | 98.4 | Very high | 35 Ų | 35 | 73 Ų | 73 | 17% | 0.172 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.5 | -65.7 | 175.6 | -173.7 | 0 | 0 | 112 | I74 E77 L78 C246 L247 S252 A253 A254 | I74-M250 HydrophobicContact CB-CG 4.48Å; I74-M250 HydrophobicContact CG1-CB 4.17Å; I74-M250 HydrophobicContact CG1-CG 4.34Å; I74-M250 HydrophobicContact CG2-CG 4.15Å; I74-M250 HydrophobicContact CG2-SD 4.45Å; E77-M250 HydrophobicContact CB-CE 3.91Å; E77-M250 HydrophobicContact CB-CG 3.74Å; E77-M250 HydrophobicContact CG-CG 4.45Å; L78-M250 HydrophobicContact CB-CE 3.75Å; L78-M250 HydrophobicContact CD1-CE 4.14Å; L78-M250 VanDerWaalsContact N-CE 3.31Å; C246-M250 WeakPolarHBondContact O-CG 3.19Å; C246-M250 PolarHBondContact O-N 3.41Å; L247-M250 HydrophobicContact CD2-SD 4.38Å; L247-M250 PolarHBondContact O-N 2.67Å; M250-S252 VanDerWaalsContact C-N 3.28Å; M250-S252 PolarHBondContact O-N 2.86Å; M250-A253 PolarHBondContact O-N 3.37Å; M250-A254 PolarHBondContact O-N 3.33Å |
| 251 | V | 98.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 74.5 Ų | 74.5 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | 176.3 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | L247 D248 G249 K255 | L247-V251 WeakPolarHBondContact O-CG2 3.44Å; L247-V251 PolarHBondContact O-N 3.23Å; D248-V251 PolarHBondContact O-N 2.98Å; G249-V251 VanDerWaalsContact C-N 3.35Å; G249-V251 PolarHBondContact O-N 3.18Å; V251-K255 HydrophobicContact CG1-CD 4.38Å; V251-K255 WeakPolarHBondContact O-CD 3.36Å; V251-K255 VanDerWaalsContact O-CG 3.27Å; V251-K255 WeakPolarHBondContact O-CG 3.45Å; V251-K255 PolarHBondContact O-N 3.44Å |
| 252 | S | 98.7 | Very high | 98.2 | Very high | 69 Ų | 69 | 71.2 Ų | 71.2 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.1 | -39.2 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | D248 G249 M250 K255 A256 | D248-S252 VanDerWaalsContact O-CB 3.29Å; D248-S252 WeakPolarHBondContact O-CB 3.44Å; D248-S252 PolarHBondContact O-N 3.5Å; D248-S252 PolarHBondContact O-OG 3.43Å; G249-S252 PolarHBondContact O-N 2.91Å; G249-S252 VanDerWaalsContact O-N 3.11Å; M250-S252 VanDerWaalsContact C-N 3.28Å; M250-S252 PolarHBondContact O-N 2.86Å; S252-K255 PolarHBondContact O-N 3.47Å; S252-A256 PolarHBondContact O-N 2.87Å |
| 253 | A | 98.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 71.1 Ų | 71.1 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S70 I74 G249 M250 K255 A256 | S70-A253 VanDerWaalsContact CB-O 3.29Å; S70-A253 WeakPolarHBondContact CB-O 3.1Å; S70-A253 PolarHBondContact OG-O 3.04Å; S70-A253 VanDerWaalsContact OG-O 3.06Å; I74-A253 HydrophobicContact CG1-CB 3.96Å; G249-A253 PolarHBondContact O-N 3.05Å; M250-A253 PolarHBondContact O-N 3.37Å; A253-K255 PolarHBondContact O-N 2.9Å; A253-K255 VanDerWaalsContact O-N 3.16Å; A253-A256 WeakPolarHBondContact O-CB 3.42Å; A253-A256 PolarHBondContact O-N 3.18Å |
| 254 | A | 98.3 | Very high | 98 | Very high | 61 Ų | 61 | 73.3 Ų | 73.3 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.3 | -29.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M250 | M250-A254 PolarHBondContact O-N 3.33Å |
| 255 | K | 98.4 | Very high | 97.8 | Very high | 162 Ų | 162 | 71.4 Ų | 71.4 | 70% | 0.704 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.6 | 174.6 | -68.5 | 165.4 | -173.9 | 170.4 | 0 | 114.3 | V251 S252 A253 | V251-K255 HydrophobicContact CG1-CD 4.38Å; V251-K255 WeakPolarHBondContact O-CD 3.36Å; V251-K255 VanDerWaalsContact O-CG 3.27Å; V251-K255 WeakPolarHBondContact O-CG 3.45Å; V251-K255 PolarHBondContact O-N 3.44Å; S252-K255 PolarHBondContact O-N 3.47Å; A253-K255 PolarHBondContact O-N 2.9Å; A253-K255 VanDerWaalsContact O-N 3.16Å |
| 256 | A | 97.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S252 A253 D258 | S252-A256 PolarHBondContact O-N 2.87Å; A253-A256 WeakPolarHBondContact O-CB 3.42Å; A253-A256 PolarHBondContact O-N 3.18Å; A256-D258 PolarHBondContact O-N 2.91Å |
| 257 | V | 98 | Very high | 97.3 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 42% | 0.418 | 40% | 0.397 | S | S | . | . | trans | -63.8 | 127.8 | 171.6 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | S70 | S70-V257 WeakPolarHBondContact OG-CG2 3.34Š| ||
| 258 | D | 97.8 | Very high | 97 | Very high | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.214 | 41% | 0.409 | C | S | . | . | trans | -133.8 | 106.7 | -176.1 | 179.3 | -28.3 | 0 | 0 | 0 | 109.1 | T66 A256 R260 R261 D262 | T66-D258 HydrophobicContact CG2-CB 4.42Å; T66-D258 PolarHBondContact OG1-N 3.28Å; A256-D258 PolarHBondContact O-N 2.91Å; D258-R260 PolarHBondContact O-N 2.93Å; D258-R260 WeakPolarHBondContact OD1-CA 3.41Å; D258-R260 WeakPolarHBondContact OD1-CB 3.32Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R261 HydrophobicContact CB-CB 3.84Å; D258-R261 PolarHBondContact O-N 3.34Å; D258-R261 PolarHBondContact OD1-N 2.92Å; D258-R261 IonicContact OD2-CZ 3.48Å; D258-R261 IonicContact OD2-NE 2.73Å; D258-R261 IonicContact OD2-NH1 3.76Å; D258-R261 IonicContact OD2-NH2 2.64Å; D258-R261 PolarHBondContact OD2-NH2 3.18Å; D258-D262 PolarHBondContact O-N 3.04Å | ||
| 259 | E | 97.4 | Very high | 96.6 | Very high | 121 Ų | 121 | 73.6 Ų | 73.6 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.5 | -24.1 | -174.4 | 81.3 | -68.6 | 167 | 0 | 0 | 112.7 | S263 | E259-S263 VanDerWaalsContact O-CB 3.29Å; E259-S263 WeakPolarHBondContact O-CB 3.34Å; E259-S263 PolarHBondContact O-N 2.91Å; E259-S263 VanDerWaalsContact O-N 3.09Å; E259-S263 PolarHBondContact O-OG 3.43Å |
| 260 | R | 97.8 | Very high | 96.2 | Very high | 180 Ų | 180 | 80.5 Ų | 80.5 | 68% | 0.679 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -83.5 | -40.5 | -179.7 | -51 | -175.3 | -177.4 | -160.8 | -4.2 | 110.7 | D258 S263 T264 | D258-R260 PolarHBondContact O-N 2.93Å; D258-R260 WeakPolarHBondContact OD1-CA 3.41Å; D258-R260 WeakPolarHBondContact OD1-CB 3.32Å; D258-R260 PolarHBondContact OD1-N 2.84Å; R260-S263 PolarHBondContact O-N 2.74Å; R260-T264 WeakPolarHBondContact O-CB 3.34Å; R260-T264 PolarHBondContact O-N 2.61Å; R260-T264 PolarHBondContact O-OG1 3.01Å |
| 261 | R | 96.6 | Very high | 95.9 | Very high | 124 Ų | 124 | 86.6 Ų | 86.6 | 47% | 0.468 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 173.1 | -166.5 | 176.6 | -54.6 | 116.2 | 13.3 | 110.5 | T66 D258 S263 T264 I265 | T66-R261 HydrophobicContact CG2-CB 4.35Å; T66-R261 HydrophobicContact CG2-CG 4.29Å; D258-R261 HydrophobicContact CB-CB 3.84Å; D258-R261 PolarHBondContact O-N 3.34Å; D258-R261 PolarHBondContact OD1-N 2.92Å; D258-R261 IonicContact OD2-CZ 3.48Å; D258-R261 IonicContact OD2-NE 2.73Å; D258-R261 IonicContact OD2-NH1 3.76Å; D258-R261 IonicContact OD2-NH2 2.64Å; D258-R261 PolarHBondContact OD2-NH2 3.18Å; R261-S263 VanDerWaalsContact C-N 3.34Å; R261-S263 PolarHBondContact O-N 3.26Å; R261-T264 PolarHBondContact O-N 3.09Å; R261-I265 HydrophobicContact CG-CD1 4.12Å; R261-I265 VanDerWaalsContact O-CG1 3.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.35Å; R261-I265 PolarHBondContact O-N 2.84Å |
| 262 | D | 96.2 | Very high | 95.7 | Very high | 20 Ų | 20 | 87 Ų | 87 | 11% | 0.107 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.6 | -74.6 | 13.8 | 0 | 0 | 0 | 110.8 | F65 T66 S67 D258 T264 I265 V266 | F65-D262 HydrophobicContact CD1-CB 3.98Å; T66-D262 WeakPolarHBondContact CB-OD1 3.28Å; T66-D262 WeakPolarHBondContact CG2-OD1 3.45Å; T66-D262 PolarHBondContact N-OD1 3.25Å; T66-D262 PolarHBondContact N-OD2 2.61Å; T66-D262 PolarHBondContact OG1-OD1 3.38Å; T66-D262 PolarHBondContact OG1-OD2 3.2Å; S67-D262 WeakPolarHBondContact CB-OD2 3.44Å; S67-D262 PolarHBondContact N-OD2 2.99Å; S67-D262 PolarHBondContact OG-OD2 3.13Å; D258-D262 PolarHBondContact O-N 3.04Å; D262-T264 PolarHBondContact O-N 3.31Å; D262-I265 PolarHBondContact O-N 3.1Å; D262-V266 WeakPolarHBondContact O-CG2 3.43Å; D262-V266 PolarHBondContact O-N 3.33Å; D262-V266 VanDerWaalsContact O-N 3.07Å |
| 263 | S | 96.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 86.4 Ų | 86.4 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 173.6 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | E259 R260 R261 V266 V267 | E259-S263 VanDerWaalsContact O-CB 3.29Å; E259-S263 WeakPolarHBondContact O-CB 3.34Å; E259-S263 PolarHBondContact O-N 2.91Å; E259-S263 VanDerWaalsContact O-N 3.09Å; E259-S263 PolarHBondContact O-OG 3.43Å; R260-S263 PolarHBondContact O-N 2.74Å; R261-S263 VanDerWaalsContact C-N 3.34Å; R261-S263 PolarHBondContact O-N 3.26Å; S263-V266 WeakPolarHBondContact O-CB 3.36Å; S263-V266 PolarHBondContact O-N 3.5Å; S263-V267 PolarHBondContact O-N 2.88Å; S263-V267 VanDerWaalsContact O-N 3.09Å |
| 264 | T | 96.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 91.4 Ų | 91.4 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | R260 R261 D262 V266 V267 E268 | R260-T264 WeakPolarHBondContact O-CB 3.34Å; R260-T264 PolarHBondContact O-N 2.61Å; R260-T264 PolarHBondContact O-OG1 3.01Å; R261-T264 PolarHBondContact O-N 3.09Å; D262-T264 PolarHBondContact O-N 3.31Å; T264-V266 VanDerWaalsContact C-N 3.29Å; T264-V266 PolarHBondContact O-N 3.44Å; T264-V267 CarbonylContact O-C 3.6Å; T264-V267 PolarHBondContact O-N 2.89Å; T264-E268 HydrophobicContact CG2-CG 4.14Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.49Å; T264-E268 WeakPolarHBondContact O-CG 3.15Å; T264-E268 PolarHBondContact O-N 2.84Å |
| 265 | I | 93.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 96.6 Ų | 96.6 | 13% | 0.128 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 176.8 | -68.1 | 162 | 0 | 0 | 0 | 111.3 | R64 F65 R261 D262 S269 | R64-I265 HydrophobicContact CB-CG2 4.12Å; R64-I265 WeakPolarHBondContact O-CD1 3.46Å; F65-I265 HydrophobicContact CD1-CB 4.24Å; F65-I265 HydrophobicContact CD1-CG2 3.99Å; F65-I265 HydrophobicContact CE1-CB 3.95Å; F65-I265 HydrophobicContact CE1-CG2 3.56Å; F65-I265 HydrophobicContact CZ-CG2 4.16Å; R261-I265 HydrophobicContact CG-CD1 4.12Å; R261-I265 VanDerWaalsContact O-CG1 3.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.35Å; R261-I265 PolarHBondContact O-N 2.84Å; D262-I265 PolarHBondContact O-N 3.1Å; I265-S269 WeakPolarHBondContact O-CB 3.16Å; I265-S269 PolarHBondContact O-N 2.98Å; I265-S269 PolarHBondContact O-OG 3.44Å |
| 266 | V | 93.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 94.3 Ų | 94.3 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 171.2 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | F65 D262 S263 T264 E268 S269 F270 | F65-V266 HydrophobicContact CE1-CG2 3.73Å; F65-V266 HydrophobicContact CZ-CG2 4.01Å; D262-V266 WeakPolarHBondContact O-CG2 3.43Å; D262-V266 PolarHBondContact O-N 3.33Å; D262-V266 VanDerWaalsContact O-N 3.07Å; S263-V266 WeakPolarHBondContact O-CB 3.36Å; S263-V266 PolarHBondContact O-N 3.5Å; T264-V266 VanDerWaalsContact C-N 3.29Å; T264-V266 PolarHBondContact O-N 3.44Å; V266-E268 PolarHBondContact O-N 3.31Å; V266-S269 PolarHBondContact O-N 3Å; V266-F270 HydrophobicContact CG1-CD2 3.86Å; V266-F270 HydrophobicContact CG1-CE2 4.35Å; V266-F270 VanDerWaalsContact O-CD2 3.26Å; V266-F270 WeakPolarHBondContact O-CD2 3.44Å; V266-F270 PolarHBondContact O-N 2.86Å |
| 267 | V | 94.2 | Very high | 94.2 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | S263 T264 S269 F270 K271 | S263-V267 PolarHBondContact O-N 2.88Å; S263-V267 VanDerWaalsContact O-N 3.09Å; T264-V267 CarbonylContact O-C 3.6Å; T264-V267 PolarHBondContact O-N 2.89Å; V267-S269 VanDerWaalsContact C-N 3.32Å; V267-S269 PolarHBondContact O-N 3.4Å; V267-F270 PolarHBondContact O-N 3.29Å; V267-K271 HydrophobicContact CG1-CB 4.44Å; V267-K271 WeakPolarHBondContact O-CB 3.37Å; V267-K271 PolarHBondContact O-N 2.98Å |
| 268 | E | 91.9 | Very high | 93.9 | Very high | 149 Ų | 149 | 96.5 Ų | 96.5 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -34.1 | 179.3 | -70.7 | 176.4 | 170.2 | 0 | 0 | 112.6 | T264 V266 | T264-E268 HydrophobicContact CG2-CG 4.14Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.49Å; T264-E268 WeakPolarHBondContact O-CG 3.15Å; T264-E268 PolarHBondContact O-N 2.84Å; V266-E268 PolarHBondContact O-N 3.31Å |
| 269 | S | 90.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 102.5 Ų | 102.5 | 34% | 0.336 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -77.4 | -28.5 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 114 | I265 V266 V267 | I265-S269 WeakPolarHBondContact O-CB 3.16Å; I265-S269 PolarHBondContact O-N 2.98Å; I265-S269 PolarHBondContact O-OG 3.44Å; V266-S269 PolarHBondContact O-N 3Å; V267-S269 VanDerWaalsContact C-N 3.32Å; V267-S269 PolarHBondContact O-N 3.4Å |
| 270 | F | 90.6 | Very high | 93.3 | Very high | 158 Ų | 158 | 106.1 Ų | 106.1 | 69% | 0.693 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -121.3 | -2.7 | -171.4 | -60.6 | -66.7 | 0 | 0 | 0 | 115.4 | V266 V267 S272 | V266-F270 HydrophobicContact CG1-CD2 3.86Å; V266-F270 HydrophobicContact CG1-CE2 4.35Å; V266-F270 VanDerWaalsContact O-CD2 3.26Å; V266-F270 WeakPolarHBondContact O-CD2 3.44Å; V266-F270 PolarHBondContact O-N 2.86Å; V267-F270 PolarHBondContact O-N 3.29Å; F270-S272 PolarHBondContact O-N 2.92Å |
| 271 | K | 92.6 | Very high | 93 | Very high | 164 Ų | 164 | 102.6 Ų | 102.6 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | trans | -66.7 | 100.7 | 175.3 | 178.8 | 178.4 | 178.7 | -178.4 | 0 | 110.7 | V267 G273 | V267-K271 HydrophobicContact CG1-CB 4.44Å; V267-K271 WeakPolarHBondContact O-CB 3.37Å; V267-K271 PolarHBondContact O-N 2.98Å; K271-G273 PolarHBondContact O-N 3.47Å; K271-G273 VanDerWaalsContact O-N 3.08Å | ||
| 272 | S | 93.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 105.3 Ų | 105.3 | 57% | 0.566 | 58% | 0.584 | S | S | * | * | trans | -62.6 | -11.5 | 178.9 | 58.3 | 0 | 0 | 0 | 0 | 115.7 | F270 F274 | F270-S272 PolarHBondContact O-N 2.92Å; S272-F274 PolarHBondContact O-N 3.02Å; S272-F274 WeakPolarHBondContact OG-CD2 3.18Å; S272-F274 PolarHBondContact OG-N 3.24Å | ||
| 273 | G | 92.4 | Very high | 92.2 | Very high | 57 Ų | 57 | 110.8 Ų | 110.8 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | trans | 74.9 | -1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K271 | K271-G273 PolarHBondContact O-N 3.47Å; K271-G273 VanDerWaalsContact O-N 3.08Å | ||
| 274 | F | 92.8 | Very high | 91.6 | Very high | 114 Ų | 114 | 110.4 Ų | 110.4 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -75.1 | 132.4 | 173.7 | -59.2 | -47.7 | 0 | 0 | 0 | 111.3 | S272 L329 F330 | S272-F274 PolarHBondContact O-N 3.02Å; S272-F274 WeakPolarHBondContact OG-CD2 3.18Å; S272-F274 PolarHBondContact OG-N 3.24Å; F274-L329 HydrophobicContact CD1-CD1 4.12Å; F274-L329 HydrophobicContact CE1-CD1 4.12Å; F274-L329 HydrophobicContact CE1-CD2 3.95Å; F274-L329 HydrophobicContact CE2-CD2 4.09Å; F274-L329 HydrophobicContact CZ-CD2 3.65Å; F274-F330 HydrophobicContact CD2-CE1 4.4Å |
| 275 | E | 90 | Very high | 90.7 | Very high | 170 Ų | 170 | 113.8 Ų | 113.8 | 79% | 0.794 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 153.9 | 167 | -62.3 | -175.3 | 151.8 | 0 | 0 | 110.3 | ||
| 276 | P | 91.8 | Very high | 89.9 | Confident | 114 Ų | 114 | 116 Ų | 116 | 74% | 0.74 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 146.1 | 170.9 | -22.2 | 33.8 | 0 | 0 | 0 | 111.2 | G278 | P276-G278 PolarHBondContact O-N 2.71Š|
| 277 | P | 93.2 | Very high | 88.2 | Confident | 104 Ų | 104 | 119 Ų | 119 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.5 | 170.3 | -22.9 | 33.7 | 0 | 0 | 0 | 110.6 | F330 | P277-F330 HydrophobicContact CG-CE2 4Å; P277-F330 HydrophobicContact CG-CZ 4.41Å |
| 278 | G | 91.9 | Very high | 86.3 | Confident | 62 Ų | 62 | 121.2 Ų | 121.2 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 173.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P276 | P276-G278 PolarHBondContact O-N 2.71Š|
| 279 | D | 93.3 | Very high | 84.3 | Confident | 166 Ų | 166 | 121.4 Ų | 121.4 | 89% | 0.888 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141 | 178.4 | -63.3 | -46 | 0 | 0 | 0 | 111.8 | ||
| 280 | F | 89.5 | Confident | 82.4 | Confident | 198 Ų | 198 | 123.7 Ų | 123.7 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.7 | 174.2 | -77 | -89 | 0 | 0 | 0 | 109.9 | ||
| 281 | P | 91.1 | Very high | 80.3 | Confident | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 146.9 | 175.2 | 29.1 | -34.9 | 0 | 0 | 0 | 110.4 | E283 | P281-E283 PolarHBondContact O-N 3.21Š|
| 282 | F | 89.3 | Confident | 77.7 | Confident | 182 Ų | 182 | 126.1 Ų | 126.1 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | trans | -69.7 | 114.2 | 173.6 | 176.1 | -109.2 | 0 | 0 | 0 | 110.6 | D284 | F282-D284 HydrophobicContact CD1-CB 4.03Å; F282-D284 HydrophobicContact CE1-CB 3.69Å; F282-D284 PolarHBondContact O-N 2.76Å | ||
| 283 | E | 88.2 | Confident | 75 | Confident | 135 Ų | 135 | 126.3 Ų | 126.3 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | -81.8 | 93 | 176 | -65 | -167.9 | 158.2 | 0 | 0 | 110.6 | P281 F285 | P281-E283 PolarHBondContact O-N 3.21Å; E283-F285 HydrophobicContact CB-CD2 4.32Å; E283-F285 HydrophobicContact CB-CE2 3.63Å; E283-F285 HydrophobicContact CB-CZ 3.92Å; E283-F285 WeakPolarHBondContact O-CD2 3.43Å; E283-F285 WeakPolarHBondContact O-CE2 3.38Å; E283-F285 PolarHBondContact O-N 2.66Å; E283-F285 WeakPolarHBondContact OE2-CZ 3.48Å | ||
| 284 | D | 84.1 | Confident | 72.7 | Confident | 64 Ų | 64 | 128.4 Ų | 128.4 | 34% | 0.342 | 71% | 0.705 | S | S | . | * | trans | -76.4 | 87.2 | 177.8 | -178.7 | 13.7 | 0 | 0 | 0 | 112.3 | F282 S286 Q287 | F282-D284 HydrophobicContact CD1-CB 4.03Å; F282-D284 HydrophobicContact CE1-CB 3.69Å; F282-D284 PolarHBondContact O-N 2.76Å; D284-S286 PolarHBondContact O-N 2.75Å; D284-S286 VanDerWaalsContact OD1-CB 3.23Å; D284-S286 WeakPolarHBondContact OD1-CB 3.31Å; D284-S286 PolarHBondContact OD1-N 2.79Å; D284-S286 PolarHBondContact OD1-OG 3.09Å; D284-S286 PolarHBondContact OD2-OG 3.48Å; D284-Q287 WeakPolarHBondContact OD2-CG 3.5Å; D284-Q287 PolarHBondContact OD2-NE2 2.93Å | ||
| 285 | F | 76.8 | Confident | 70.2 | Confident | 139 Ų | 139 | 130.6 Ų | 130.6 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -67.5 | -12 | 175.2 | -65.2 | -78.4 | 0 | 0 | 0 | 114.3 | E283 Q287 N288 | E283-F285 HydrophobicContact CB-CD2 4.32Å; E283-F285 HydrophobicContact CB-CE2 3.63Å; E283-F285 HydrophobicContact CB-CZ 3.92Å; E283-F285 WeakPolarHBondContact O-CD2 3.43Å; E283-F285 WeakPolarHBondContact O-CE2 3.38Å; E283-F285 PolarHBondContact O-N 2.66Å; E283-F285 WeakPolarHBondContact OE2-CZ 3.48Å; F285-Q287 PolarHBondContact O-N 3.38Å; F285-N288 PolarHBondContact O-N 2.94Å |
| 286 | S | 76.1 | Confident | 67.7 | Low | 72 Ų | 72 | 126.2 Ų | 126.2 | 50% | 0.503 | 72% | 0.723 | S | S | . | * | G | 310 helix | trans | -66.6 | -26.7 | -176.3 | 76.4 | 0 | 0 | 0 | 0 | 112.9 | D284 N288 L289 | D284-S286 PolarHBondContact O-N 2.75Å; D284-S286 VanDerWaalsContact OD1-CB 3.23Å; D284-S286 WeakPolarHBondContact OD1-CB 3.31Å; D284-S286 PolarHBondContact OD1-N 2.79Å; D284-S286 PolarHBondContact OD1-OG 3.09Å; D284-S286 PolarHBondContact OD2-OG 3.48Å; S286-N288 PolarHBondContact O-N 2.95Å; S286-N288 VanDerWaalsContact O-N 3.12Å; S286-L289 PolarHBondContact O-N 2.85Å |
| 287 | Q | 59.3 | Low | 65.4 | Low | 130 Ų | 130 | 127.3 Ų | 127.3 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -63.3 | -19.9 | 179.5 | -59.6 | -178.9 | 26.6 | 0 | 0 | 113.2 | D284 F285 | D284-Q287 WeakPolarHBondContact OD2-CG 3.5Å; D284-Q287 PolarHBondContact OD2-NE2 2.93Å; F285-Q287 PolarHBondContact O-N 3.38Å |
| 288 | N | 53.4 | Low | 62.7 | Low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -83.3 | -11.1 | 174.4 | -74.2 | -30.2 | 0 | 0 | 0 | 113.9 | F285 S286 S290 | F285-N288 PolarHBondContact O-N 2.94Å; S286-N288 PolarHBondContact O-N 2.95Å; S286-N288 VanDerWaalsContact O-N 3.12Å; N288-S290 VanDerWaalsContact C-N 3.32Å |
| 289 | L | 50.7 | Low | 60.1 | Low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -82.2 | -9.7 | 170.5 | -85.7 | 73.5 | 0 | 0 | 0 | 112.6 | S286 | S286-L289 PolarHBondContact O-N 2.85Š|
| 290 | S | 50.1 | Low | 57.2 | Low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | -126.4 | 61.9 | -173.7 | -61.6 | 0 | 0 | 0 | 0 | 113 | N288 | N288-S290 VanDerWaalsContact C-N 3.32Š| ||
| 291 | R | 46.1 | Very low | 54.8 | Low | 228 Ų | 228 | 127.7 Ų | 127.7 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | -126.9 | 60.5 | 166.2 | -86.6 | -164.6 | 167.2 | -143.5 | -2.9 | 113.7 | ||||
| 292 | T | 39 | Very low | 52.6 | Low | 144 Ų | 144 | 129 Ų | 129 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -132 | 145.8 | 150.5 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 293 | G | 36.3 | Very low | 50.1 | Low | 86 Ų | 86 | 130.3 Ų | 130.3 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | trans | 101.9 | 141.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 294 | S | 43.6 | Very low | 47.4 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -129.7 | 165.9 | -175.9 | 65.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | D | 40.9 | Very low | 44.9 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 66 | 149.8 | 162.1 | -51.6 | -57.1 | 0 | 0 | 0 | 118.5 | ||||
| 296 | G | 38 | Very low | 42.9 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 147.4 | 61.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 297 | T | 42.6 | Very low | 40.7 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -63.4 | 137 | 168.7 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 298 | I | 36.2 | Very low | 39.5 | Very low | 165 Ų | 165 | 144 Ų | 144 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -172.8 | 150.5 | 134.1 | -98.3 | 152.8 | 0 | 0 | 0 | 111.2 | ||||
| 299 | S | 36.8 | Very low | 38.6 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 163.2 | -176.5 | 53 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 300 | N | 33.3 | Very low | 38.3 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -147.9 | 150.8 | 140.4 | -112.9 | -29 | 0 | 0 | 0 | 111.8 | ||||
| 301 | T | 40.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 82% | 0.815 | S | S | * | * | trans | -132.2 | 162.7 | 172.8 | 53.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 302 | P | 44 | Very low | 37.6 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | -119 | 173.1 | 129.1 | -6.5 | 26.7 | 0 | 0 | 0 | 113.2 | |||||
| 303 | K | 37.6 | Very low | 37.1 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -111.4 | 158.3 | -177.9 | -63.4 | 174.6 | 179.3 | 172.4 | 0 | 112.1 | ||||
| 304 | G | 31.3 | Very low | 36.9 | Very low | 75 Ų | 75 | 141.7 Ų | 141.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 147.8 | 124.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 305 | E | 30.2 | Very low | 36 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | cis | -148.1 | -176.3 | -8.9 | -166.9 | 150 | -150.2 | 0 | 0 | 109.5 | ||||
| 306 | R | 35.3 | Very low | 35.7 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -84.5 | 153.8 | 179.4 | -72 | 175.9 | 168.5 | 170.8 | -5.4 | 110.4 | ||||
| 307 | E | 29.9 | Very low | 35.3 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | -161.3 | 150 | 80.7 | -89.8 | -162.1 | 137.6 | 0 | 0 | 116.7 | |||||
| 308 | L | 33.4 | Very low | 34.7 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 45.1 | 122.3 | 144.5 | -57.5 | 172.1 | 0 | 0 | 0 | 121.7 | ||||
| 309 | A | 35.9 | Very low | 34.2 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -100.3 | 174 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 310 | P | 43.1 | Very low | 34 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | -142.4 | 173.2 | 82.6 | 35.6 | -17.9 | 0 | 0 | 0 | 116.2 | |||||
| 311 | V | 36.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 143 Ų | 143 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | -117.3 | 148.2 | -174.2 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 312 | P | 45 | Very low | 33.3 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | -147.4 | 119.3 | 113.4 | 33.5 | -14.9 | 0 | 0 | 0 | 116.7 | |||||
| 313 | R | 29.6 | Very low | 32.7 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 32.2 | 134.3 | 127.2 | -57.1 | -180 | 179.9 | -172.7 | -0.5 | 121 | |||||
| 314 | S | 31.7 | Very low | 32.5 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | -138.3 | 137.9 | 121.8 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 315 | E | 25.6 | Very low | 32.5 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 64% | 0.64 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 146.8 | 175.7 | -68 | -174.8 | 84.5 | 0 | 0 | 110.8 | K317 | E315-K317 IonicContact OE1-NZ 3.17Å; E315-K317 PolarHBondContact OE1-NZ 3.21Å | ||
| 316 | A | 32.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | -145.5 | 131.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 317 | K | 29.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | trans | -114.7 | 152.8 | 177.8 | -62.3 | 179.8 | 175.3 | 85.9 | 0 | 109.2 | E315 | E315-K317 IonicContact OE1-NZ 3.17Å; E315-K317 PolarHBondContact OE1-NZ 3.21Å | ||
| 318 | H | 31.1 | Very low | 32.5 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 174.7 | 111 | 136.8 | -90.3 | -59.6 | 0 | 0 | 0 | 107.3 | ||||
| 319 | T | 26.4 | Very low | 32.6 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | 62.3 | 134.6 | 80 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 320 | I | 31.4 | Very low | 32.6 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | cis | -160.7 | 165.7 | 16.2 | -134.4 | 163 | 0 | 0 | 0 | 113.2 | ||||
| 321 | S | 28.3 | Very low | 32 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 48.9 | 113.5 | 166.3 | -150.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 322 | K | 31.4 | Very low | 32.3 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | 57.7 | 103.3 | 67.4 | -64.6 | -177.5 | 175.8 | 175.2 | 0 | 115.6 | |||||
| 323 | G | 30.9 | Very low | 31.7 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -113.3 | 151.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 324 | K | 33.8 | Very low | 32.1 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -107.5 | 138.7 | -173.7 | -65.6 | 176.1 | -177.5 | 172.5 | 0 | 112.2 | ||||
| 325 | N | 30.9 | Very low | 32.8 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 34.4 | 138 | 138.6 | -44.6 | 14.8 | 0 | 0 | 0 | 118.6 | ||||
| 326 | K | 33.9 | Very low | 33.2 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | cis | -145.9 | 159.6 | 34.6 | -72 | 178.1 | 176.7 | -177.8 | 0 | 113.3 | ||||
| 327 | L | 32.2 | Very low | 33.4 | Very low | 127 Ų | 127 | 149 Ų | 149 | 67% | 0.665 | 76% | 0.763 | S | S | * | * | trans | -84.8 | 155.3 | 173.8 | -177 | 68.3 | 0 | 0 | 0 | 112.3 | L329 | L327-L329 HydrophobicContact CD1-CD1 4.16Å; L327-L329 HydrophobicContact CD1-CD2 4.38Å; L327-L329 HydrophobicContact CD1-CG 3.97Å; L327-L329 HydrophobicContact CD2-CD1 4.47Å; L327-L329 HydrophobicContact CG-CG 4.36Å | ||
| 328 | W | 28.6 | Very low | 33.9 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | -154.8 | 149.2 | 140.2 | -99.6 | 108.5 | 0 | 0 | 0 | 111.5 | ||||
| 329 | L | 35.5 | Very low | 35.1 | Very low | 61 Ų | 61 | 143.5 Ų | 143.5 | 32% | 0.319 | 75% | 0.753 | S | S | . | * | trans | -144.6 | 165.4 | -178.3 | -58.2 | 172.7 | 0 | 0 | 0 | 108 | F274 L327 | F274-L329 HydrophobicContact CD1-CD1 4.12Å; F274-L329 HydrophobicContact CE1-CD1 4.12Å; F274-L329 HydrophobicContact CE1-CD2 3.95Å; F274-L329 HydrophobicContact CE2-CD2 4.09Å; F274-L329 HydrophobicContact CZ-CD2 3.65Å; L327-L329 HydrophobicContact CD1-CD1 4.16Å; L327-L329 HydrophobicContact CD1-CD2 4.38Å; L327-L329 HydrophobicContact CD1-CG 3.97Å; L327-L329 HydrophobicContact CD2-CD1 4.47Å; L327-L329 HydrophobicContact CG-CG 4.36Å | ||
| 330 | F | 36.9 | Very low | 37 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 60% | 0.596 | 75% | 0.751 | S | S | * | * | cis | -118.7 | -161.3 | 4.3 | -84 | -79.6 | 0 | 0 | 0 | 108.3 | F274 P277 | F274-F330 HydrophobicContact CD2-CE1 4.4Å; P277-F330 HydrophobicContact CG-CE2 4Å; P277-F330 HydrophobicContact CG-CZ 4.41Å | ||
| 331 | G | 30.4 | Very low | 38.8 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | cis | 110.6 | 138.1 | 12.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 332 | K | 41.4 | Very low | 41.1 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 93% | 0.93 | 70% | 0.698 | S | S | * | * | trans | -85.1 | 119.8 | -165.4 | -69.4 | -179.8 | 177.6 | 176.8 | 0 | 114.5 | ||||
| 333 | K | 33.5 | Very low | 43.2 | Very low | 203 Ų | 203 | 129.5 Ų | 129.5 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | trans | -159.7 | 160.9 | 148.2 | -72.4 | -162.8 | -179.2 | 179.4 | 0 | 109.6 | ||||
| 334 | P | 38.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | S | Bend | -85.6 | -164.3 | -62.2 | 38 | -28.2 | 0 | 0 | 0 | 110.9 | V336 | P334-V336 PolarHBondContact O-N 3.46Š| |
| 335 | K | 45.6 | Very low | 47.1 | Very low | 216 Ų | 216 | 125.2 Ų | 125.2 | 94% | 0.939 | 64% | 0.637 | S | S | * | * | trans | -68.3 | 100.2 | 176.7 | -86.3 | -171.6 | 174.7 | -176.9 | 0 | 112.4 | ||||
| 336 | V | 33.5 | Very low | 49 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 149.9 | 143.9 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | P334 S338 | P334-V336 PolarHBondContact O-N 3.46Å; V336-S338 PolarHBondContact O-N 3.39Å; V336-S338 VanDerWaalsContact O-N 3.14Å |
| 337 | P | 38.2 | Very low | 50.8 | Low | 121 Ų | 121 | 115.5 Ų | 115.5 | 79% | 0.786 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -54 | 122.3 | 178 | -27.4 | 36.2 | 0 | 0 | 0 | 111.2 | L339 | P337-L339 PolarHBondContact O-N 3.27Š|
| 338 | S | 40.3 | Very low | 52.8 | Low | 92 Ų | 92 | 116.3 Ų | 116.3 | 64% | 0.643 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.3 | 174.1 | 42.2 | 0 | 0 | 0 | 0 | 109.1 | V336 E340 | V336-S338 PolarHBondContact O-N 3.39Å; V336-S338 VanDerWaalsContact O-N 3.14Å; S338-E340 PolarHBondContact O-N 3.4Å |
| 339 | L | 56.8 | Low | 55 | Low | 118 Ų | 118 | 110.5 Ų | 110.5 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | trans | -67.6 | 89.3 | 164.5 | -87.6 | 154.4 | 0 | 0 | 0 | 108.4 | P337 D341 F342 | P337-L339 PolarHBondContact O-N 3.27Å; L339-D341 PolarHBondContact O-N 2.97Å; L339-D341 VanDerWaalsContact O-N 3.12Å; L339-F342 PolarHBondContact O-N 3.03Å; L339-F342 VanDerWaalsContact O-N 3.11Å | ||
| 340 | E | 65.2 | Low | 57.2 | Low | 131 Ų | 131 | 108.6 Ų | 108.6 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -20.8 | 179.8 | -70.1 | 172.5 | 176.9 | 0 | 0 | 112.6 | S338 F342 W418 | S338-E340 PolarHBondContact O-N 3.4Å; E340-F342 WeakPolarHBondContact O-CD2 3.4Å; E340-F342 WeakPolarHBondContact O-CE2 3.32Å; E340-F342 PolarHBondContact O-N 3.31Å; E340-W418 HydrophobicContact CB-CH2 3.72Å; E340-W418 HydrophobicContact CB-CZ3 4.02Å; E340-W418 WeakPolarHBondContact O-CZ3 3.15Å |
| 341 | D | 68.4 | Low | 59.4 | Low | 26 Ų | 26 | 105.8 Ų | 105.8 | 14% | 0.139 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -8.2 | 177.4 | 87.1 | -34.4 | 0 | 0 | 0 | 114.2 | L339 S343 R350 W418 | L339-D341 PolarHBondContact O-N 2.97Å; L339-D341 VanDerWaalsContact O-N 3.12Å; D341-S343 PolarHBondContact O-N 2.89Å; D341-S343 WeakPolarHBondContact OD1-CB 3.39Å; D341-S343 PolarHBondContact OD1-N 2.96Å; D341-S343 PolarHBondContact OD1-OG 3.21Å; D341-S343 VanDerWaalsContact OD2-CB 3.25Å; D341-S343 WeakPolarHBondContact OD2-CB 3.37Å; D341-S343 PolarHBondContact OD2-OG 2.68Å; D341-R350 PolarHBondContact O-NE 2.61Å; D341-R350 PolarHBondContact O-NH2 3.25Å; D341-R350 IonicContact OD2-CZ 3.6Å; D341-R350 IonicContact OD2-NH1 3.12Å; D341-R350 IonicContact OD2-NH2 3.41Å; D341-R350 PolarHBondContact OD2-NH2 2.98Å; D341-W418 HydrophobicContact CB-CD2 3.59Å; D341-W418 HydrophobicContact CB-CE3 4.09Å; D341-W418 HydrophobicContact CB-CG 3.82Å; D341-W418 HydrophobicContact CB-CH2 4.49Å; D341-W418 HydrophobicContact CB-CZ2 4.05Å |
| 342 | F | 77.4 | Confident | 62.1 | Low | 54 Ų | 54 | 109.2 Ų | 109.2 | 24% | 0.237 | 56% | 0.556 | C | S | . | * | trans | 59.8 | 23.7 | -175 | -58.4 | -89.6 | 0 | 0 | 0 | 115 | L339 E340 H344 L345 R350 R353 L354 | L339-F342 PolarHBondContact O-N 3.03Å; L339-F342 VanDerWaalsContact O-N 3.11Å; E340-F342 WeakPolarHBondContact O-CD2 3.4Å; E340-F342 WeakPolarHBondContact O-CE2 3.32Å; E340-F342 PolarHBondContact O-N 3.31Å; F342-H344 PolarHBondContact O-N 2.66Å; F342-L345 HydrophobicContact CB-CD1 4.26Å; F342-L345 HydrophobicContact CD1-CD1 4.13Å; F342-L345 PolarHBondContact O-N 3.06Å; F342-R350 HydrophobicContact CB-CG 3.94Å; F342-R350 VanDerWaalsContact O-CD 3.29Å; F342-R350 WeakPolarHBondContact O-CD 3.27Å; F342-R350 WeakPolarHBondContact O-CG 3.1Å; F342-R353 HydrophobicContact CD1-CB 4.24Å; F342-R353 HydrophobicContact CE1-CB 4.34Å; F342-R353 HydrophobicContact CG-CB 4.45Å; F342-L354 HydrophobicContact CD2-CD2 3.71Å; F342-L354 HydrophobicContact CD2-CG 4.05Å; F342-L354 HydrophobicContact CE2-CD2 4.22Å | ||
| 343 | S | 74.7 | Confident | 64.2 | Low | 50 Ų | 50 | 105.9 Ų | 105.9 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -23.4 | -179.8 | 41 | 0 | 0 | 0 | 0 | 116.3 | D341 L345 | D341-S343 PolarHBondContact O-N 2.89Å; D341-S343 WeakPolarHBondContact OD1-CB 3.39Å; D341-S343 PolarHBondContact OD1-N 2.96Å; D341-S343 PolarHBondContact OD1-OG 3.21Å; D341-S343 VanDerWaalsContact OD2-CB 3.25Å; D341-S343 WeakPolarHBondContact OD2-CB 3.37Å; D341-S343 PolarHBondContact OD2-OG 2.68Å; S343-L345 VanDerWaalsContact C-N 3.28Å; S343-L345 PolarHBondContact O-N 2.71Å |
| 344 | H | 73.1 | Confident | 66.8 | Low | 134 Ų | 134 | 96.2 Ų | 96.2 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7 | 179 | 64.1 | -87.5 | 0 | 0 | 0 | 114.4 | F342 | F342-H344 PolarHBondContact O-N 2.66Š|
| 345 | L | 75.3 | Confident | 69.3 | Low | 44 Ų | 44 | 94.2 Ų | 94.2 | 23% | 0.23 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -98.6 | 148 | -178.7 | -62.5 | -178.5 | 0 | 0 | 0 | 112.8 | F342 S343 Q349 R350 R353 | F342-L345 HydrophobicContact CB-CD1 4.26Å; F342-L345 HydrophobicContact CD1-CD1 4.13Å; F342-L345 PolarHBondContact O-N 3.06Å; S343-L345 VanDerWaalsContact C-N 3.28Å; S343-L345 PolarHBondContact O-N 2.71Å; L345-Q349 HydrophobicContact CB-CB 4.39Å; L345-R350 HydrophobicContact CB-CB 4.03Å; L345-R353 HydrophobicContact CD1-CB 4.31Å; L345-R353 HydrophobicContact CD1-CG 3.82Å |
| 346 | P | 69.5 | Low | 71.4 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 47% | 0.468 | 45% | 0.452 | S | S | . | . | trans | -54.3 | 145.9 | 170.1 | -25 | 34 | 0 | 0 | 0 | 112.1 | E348 Q349 R350 | P346-E348 PolarHBondContact O-N 2.89Å; P346-E348 VanDerWaalsContact O-N 3.1Å; P346-Q349 WeakPolarHBondContact O-CA 3.24Å; P346-Q349 PolarHBondContact O-N 3.08Å; P346-R350 PolarHBondContact O-N 3.3Å | ||
| 347 | P | 72.3 | Confident | 74.1 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -49.2 | -44.7 | -169 | -32.6 | 36.7 | 0 | 0 | 0 | 115.9 | R350 R351 V422 | P347-R350 PolarHBondContact O-N 2.65Å; P347-R351 WeakPolarHBondContact O-CB 3.41Å; P347-R351 PolarHBondContact O-N 2.68Å; P347-V422 HydrophobicContact CB-CG1 4.09Å; P347-V422 VanDerWaalsContact O-CG1 3.32Å; P347-V422 WeakPolarHBondContact O-CG1 3.43Å |
| 348 | E | 73.3 | Confident | 76.7 | Confident | 143 Ų | 143 | 80.7 Ų | 80.7 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70 | -36.7 | 179.5 | -62 | -178.3 | 153.2 | 0 | 0 | 112.9 | P346 K352 | P346-E348 PolarHBondContact O-N 2.89Å; P346-E348 VanDerWaalsContact O-N 3.1Å; E348-K352 WeakPolarHBondContact O-CB 3.31Å; E348-K352 PolarHBondContact O-N 3.18Å |
| 349 | Q | 74.8 | Confident | 79.2 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -71.1 | -38.1 | 174.9 | -66.2 | -173.6 | -5.8 | 0 | 0 | 111.1 | L345 P346 K352 R353 | L345-Q349 HydrophobicContact CB-CB 4.39Å; P346-Q349 WeakPolarHBondContact O-CA 3.24Å; P346-Q349 PolarHBondContact O-N 3.08Å; Q349-K352 PolarHBondContact O-N 2.8Å; Q349-R353 WeakPolarHBondContact O-CB 3.05Å; Q349-R353 WeakPolarHBondContact O-CG 3.38Å; Q349-R353 PolarHBondContact O-N 2.89Å |
| 350 | R | 82.2 | Confident | 81 | Confident | 21 Ų | 21 | 78.7 Ų | 78.7 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 172.6 | -169.6 | 174.4 | 173.3 | -168.5 | -0.3 | 110.7 | D341 F342 L345 P346 P347 K352 R353 L354 V422 | D341-R350 PolarHBondContact O-NE 2.61Å; D341-R350 PolarHBondContact O-NH2 3.25Å; D341-R350 IonicContact OD2-CZ 3.6Å; D341-R350 IonicContact OD2-NH1 3.12Å; D341-R350 IonicContact OD2-NH2 3.41Å; D341-R350 PolarHBondContact OD2-NH2 2.98Å; F342-R350 HydrophobicContact CB-CG 3.94Å; F342-R350 VanDerWaalsContact O-CD 3.29Å; F342-R350 WeakPolarHBondContact O-CD 3.27Å; F342-R350 WeakPolarHBondContact O-CG 3.1Å; L345-R350 HydrophobicContact CB-CB 4.03Å; P346-R350 PolarHBondContact O-N 3.3Å; P347-R350 PolarHBondContact O-N 2.65Å; R350-K352 PolarHBondContact O-N 3.19Å; R350-R353 PolarHBondContact O-N 3.28Å; R350-L354 HydrophobicContact CG-CD1 3.89Å; R350-L354 WeakPolarHBondContact O-CB 3.11Å; R350-L354 WeakPolarHBondContact O-CG 3.41Å; R350-L354 PolarHBondContact O-N 2.93Å; R350-V422 HydrophobicContact CB-CG2 4.46Å; R350-V422 VanDerWaalsContact CD-CG2 3.49Å; R350-V422 HydrophobicContact CG-CG2 3.91Å |
| 351 | R | 84.5 | Confident | 82.4 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.7 | -50.3 | 174.9 | -166.9 | -164 | -74.7 | -127.9 | 7 | 111 | P347 R353 L354 Q355 L419 V422 E423 | P347-R351 WeakPolarHBondContact O-CB 3.41Å; P347-R351 PolarHBondContact O-N 2.68Å; R351-R353 PolarHBondContact O-N 3.4Å; R351-L354 PolarHBondContact O-N 3.23Å; R351-Q355 WeakPolarHBondContact O-CB 3.22Å; R351-Q355 PolarHBondContact O-N 3.07Å; R351-L419 HydrophobicContact CB-CD1 4.23Å; R351-L419 HydrophobicContact CG-CD1 3.51Å; R351-V422 HydrophobicContact CB-CG1 4.16Å; R351-E423 WeakPolarHBondContact CD-OE1 3.45Å; R351-E423 VanDerWaalsContact CZ-CD 3.43Å; R351-E423 IonicContact CZ-OE1 3.84Å; R351-E423 VanDerWaalsContact CZ-OE1 3.22Å; R351-E423 IonicContact CZ-OE2 3.52Å; R351-E423 IonicContact NE-OE1 2.68Å; R351-E423 PolarHBondContact NE-OE1 3.16Å; R351-E423 IonicContact NH1-OE1 2.66Å; R351-E423 PolarHBondContact NH1-OE1 2.79Å; R351-E423 IonicContact NH1-OE2 2.83Å; R351-E423 PolarHBondContact NH1-OE2 2.94Å |
| 352 | K | 85.7 | Confident | 83.6 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 179.9 | -172.1 | 169.4 | -176.8 | 172.5 | 0 | 113.4 | E348 Q349 R350 Q356 | E348-K352 WeakPolarHBondContact O-CB 3.31Å; E348-K352 PolarHBondContact O-N 3.18Å; Q349-K352 PolarHBondContact O-N 2.8Å; R350-K352 PolarHBondContact O-N 3.19Å; K352-Q356 WeakPolarHBondContact O-CB 3.24Å; K352-Q356 VanDerWaalsContact O-CG 3.29Å; K352-Q356 WeakPolarHBondContact O-CG 3.26Å; K352-Q356 PolarHBondContact O-N 2.87Å; K352-Q356 VanDerWaalsContact O-N 3.08Å |
| 353 | R | 85.7 | Confident | 84.4 | Confident | 144 Ų | 144 | 79.9 Ų | 79.9 | 54% | 0.543 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.2 | -41.3 | 176.9 | -74.6 | -65.7 | -167.8 | 163.4 | 2.4 | 112.7 | F342 L345 Q349 R350 R351 Q356 K357 | F342-R353 HydrophobicContact CD1-CB 4.24Å; F342-R353 HydrophobicContact CE1-CB 4.34Å; F342-R353 HydrophobicContact CG-CB 4.45Å; L345-R353 HydrophobicContact CD1-CB 4.31Å; L345-R353 HydrophobicContact CD1-CG 3.82Å; Q349-R353 WeakPolarHBondContact O-CB 3.05Å; Q349-R353 WeakPolarHBondContact O-CG 3.38Å; Q349-R353 PolarHBondContact O-N 2.89Å; R350-R353 PolarHBondContact O-N 3.28Å; R351-R353 PolarHBondContact O-N 3.4Å; R353-Q356 PolarHBondContact O-N 3.02Å; R353-K357 PolarHBondContact O-N 3Å |
| 354 | L | 88.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174 | -75.1 | 165.7 | 0 | 0 | 0 | 110.9 | F342 R350 R351 Q356 K357 I358 N415 W418 L419 V422 | F342-L354 HydrophobicContact CD2-CD2 3.71Å; F342-L354 HydrophobicContact CD2-CG 4.05Å; F342-L354 HydrophobicContact CE2-CD2 4.22Å; R350-L354 HydrophobicContact CG-CD1 3.89Å; R350-L354 WeakPolarHBondContact O-CB 3.11Å; R350-L354 WeakPolarHBondContact O-CG 3.41Å; R350-L354 PolarHBondContact O-N 2.93Å; R351-L354 PolarHBondContact O-N 3.23Å; L354-Q356 PolarHBondContact O-N 3.25Å; L354-K357 PolarHBondContact O-N 3.42Å; L354-K357 VanDerWaalsContact O-N 3.11Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 3.04Å; L354-N415 HydrophobicContact CD2-CB 4.32Å; L354-N415 WeakPolarHBondContact CD2-OD1 3.47Å; L354-W418 HydrophobicContact CD1-CB 3.96Å; L354-W418 HydrophobicContact CD2-CB 3.94Å; L354-W418 HydrophobicContact CD2-CE3 4.02Å; L354-L419 HydrophobicContact CB-CB 4.43Å; L354-L419 HydrophobicContact CB-CD1 3.93Å; L354-V422 HydrophobicContact CD1-CG2 4.43Å |
| 355 | Q | 89.4 | Confident | 86.3 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.7 | -51 | 174.8 | -171.2 | 62.9 | 56.1 | 0 | 0 | 111.5 | R351 K357 I358 D359 | R351-Q355 WeakPolarHBondContact O-CB 3.22Å; R351-Q355 PolarHBondContact O-N 3.07Å; Q355-K357 PolarHBondContact O-N 3.35Å; Q355-K357 VanDerWaalsContact O-N 3.14Å; Q355-I358 WeakPolarHBondContact O-CB 3.44Å; Q355-I358 PolarHBondContact O-N 3.44Å; Q355-D359 PolarHBondContact NE2-OD1 3.03Å; Q355-D359 PolarHBondContact O-N 3.21Å |
| 356 | Q | 90.1 | Very high | 87.3 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57 | -32.1 | 176.7 | -76.4 | 179.5 | -32.9 | 0 | 0 | 113.2 | K352 R353 L354 E360 | K352-Q356 WeakPolarHBondContact O-CB 3.24Å; K352-Q356 VanDerWaalsContact O-CG 3.29Å; K352-Q356 WeakPolarHBondContact O-CG 3.26Å; K352-Q356 PolarHBondContact O-N 2.87Å; K352-Q356 VanDerWaalsContact O-N 3.08Å; R353-Q356 PolarHBondContact O-N 3.02Å; L354-Q356 PolarHBondContact O-N 3.25Å; Q356-E360 WeakPolarHBondContact O-CB 3.49Å; Q356-E360 PolarHBondContact O-N 3.36Å; Q356-E360 VanDerWaalsContact O-N 3.14Å |
| 357 | K | 90.6 | Very high | 88.4 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 30% | 0.296 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.5 | -35.7 | 176.3 | -170.6 | 51.6 | 178.9 | 161 | 0 | 112.5 | R353 L354 Q355 E360 L361 | R353-K357 PolarHBondContact O-N 3Å; L354-K357 PolarHBondContact O-N 3.42Å; L354-K357 VanDerWaalsContact O-N 3.11Å; Q355-K357 PolarHBondContact O-N 3.35Å; Q355-K357 VanDerWaalsContact O-N 3.14Å; K357-E360 WeakPolarHBondContact CD-OE2 3.09Å; K357-E360 IonicContact NZ-OE2 3.25Å; K357-E360 PolarHBondContact NZ-OE2 3.29Å; K357-E360 PolarHBondContact O-N 2.95Å; K357-L361 HydrophobicContact CD-CD1 4.38Å; K357-L361 HydrophobicContact CD-CG 4.26Å; K357-L361 HydrophobicContact CG-CD1 4.09Å; K357-L361 HydrophobicContact CG-CG 4.47Å; K357-L361 WeakPolarHBondContact O-CB 3.2Å; K357-L361 VanDerWaalsContact O-CG 3.22Å; K357-L361 WeakPolarHBondContact O-CG 3.36Å; K357-L361 PolarHBondContact O-N 2.84Å |
| 358 | I | 93.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 171.1 | -68.7 | 161.4 | 0 | 0 | 0 | 110.2 | L354 Q355 E360 L361 N362 I412 N415 E416 L419 | L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 3.04Å; Q355-I358 WeakPolarHBondContact O-CB 3.44Å; Q355-I358 PolarHBondContact O-N 3.44Å; I358-E360 PolarHBondContact O-N 3.41Å; I358-L361 PolarHBondContact O-N 3.04Å; I358-N362 VanDerWaalsContact CG2-ND2 3.31Å; I358-N362 WeakPolarHBondContact CG2-ND2 3.39Å; I358-N362 VanDerWaalsContact O-CB 3.3Å; I358-N362 WeakPolarHBondContact O-CB 3.31Å; I358-N362 PolarHBondContact O-N 3.37Å; I358-N362 PolarHBondContact O-ND2 2.71Å; I358-N362 VanDerWaalsContact O-ND2 3.08Å; I358-I412 HydrophobicContact CG2-CG2 4.47Å; I358-N415 HydrophobicContact CD1-CB 4.07Å; I358-N415 HydrophobicContact CG1-CB 3.59Å; I358-E416 HydrophobicContact CD1-CG 4.1Å; I358-L419 HydrophobicContact CD1-CB 4.33Å; I358-L419 HydrophobicContact CD1-CD2 3.88Å |
| 359 | D | 93.1 | Very high | 90.5 | Very high | 82 Ų | 82 | 71.4 Ų | 71.4 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 178 | -56 | -24.7 | 0 | 0 | 0 | 111.5 | Q355 R363 | Q355-D359 PolarHBondContact NE2-OD1 3.03Å; Q355-D359 PolarHBondContact O-N 3.21Å; D359-R363 PolarHBondContact O-N 3.43Å; D359-R363 VanDerWaalsContact O-N 3.15Å |
| 360 | E | 93 | Very high | 91.5 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 175.3 | 176 | 173.3 | -101 | 0 | 0 | 112.6 | Q356 K357 I358 N362 R363 E364 | Q356-E360 WeakPolarHBondContact O-CB 3.49Å; Q356-E360 PolarHBondContact O-N 3.36Å; Q356-E360 VanDerWaalsContact O-N 3.14Å; K357-E360 WeakPolarHBondContact CD-OE2 3.09Å; K357-E360 IonicContact NZ-OE2 3.25Å; K357-E360 PolarHBondContact NZ-OE2 3.29Å; K357-E360 PolarHBondContact O-N 2.95Å; I358-E360 PolarHBondContact O-N 3.41Å; E360-N362 VanDerWaalsContact C-N 3.34Å; E360-R363 PolarHBondContact O-N 3.12Å; E360-E364 PolarHBondContact O-N 3.42Å; E360-E364 VanDerWaalsContact O-N 3.17Å |
| 361 | L | 94.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 179 | -71.4 | 168.4 | 0 | 0 | 0 | 111.9 | K357 I358 E364 L365 L408 E411 I412 | K357-L361 HydrophobicContact CD-CD1 4.38Å; K357-L361 HydrophobicContact CD-CG 4.26Å; K357-L361 HydrophobicContact CG-CD1 4.09Å; K357-L361 HydrophobicContact CG-CG 4.47Å; K357-L361 WeakPolarHBondContact O-CB 3.2Å; K357-L361 VanDerWaalsContact O-CG 3.22Å; K357-L361 WeakPolarHBondContact O-CG 3.36Å; K357-L361 PolarHBondContact O-N 2.84Å; I358-L361 PolarHBondContact O-N 3.04Å; L361-E364 PolarHBondContact O-N 3.44Å; L361-L365 VanDerWaalsContact O-CB 3.23Å; L361-L365 WeakPolarHBondContact O-CB 3.3Å; L361-L365 PolarHBondContact O-N 3.33Å; L361-L408 HydrophobicContact CD2-CD2 3.8Å; L361-E411 HydrophobicContact CD1-CB 4.03Å; L361-I412 HydrophobicContact CB-CD1 4.09Å; L361-I412 HydrophobicContact CB-CG1 3.5Å; L361-I412 VanDerWaalsContact CB-CG1 3.5Å; L361-I412 HydrophobicContact CD1-CG1 4.25Å; L361-I412 HydrophobicContact CG-CG1 4.5Å |
| 362 | N | 94.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 174 | -84.8 | -47 | 0 | 0 | 0 | 112.1 | I358 E360 L365 Q366 I412 | I358-N362 VanDerWaalsContact CG2-ND2 3.31Å; I358-N362 WeakPolarHBondContact CG2-ND2 3.39Å; I358-N362 VanDerWaalsContact O-CB 3.3Å; I358-N362 WeakPolarHBondContact O-CB 3.31Å; I358-N362 PolarHBondContact O-N 3.37Å; I358-N362 PolarHBondContact O-ND2 2.71Å; I358-N362 VanDerWaalsContact O-ND2 3.08Å; E360-N362 VanDerWaalsContact C-N 3.34Å; N362-L365 PolarHBondContact O-N 3.05Å; N362-Q366 WeakPolarHBondContact O-CB 3.31Å; N362-Q366 PolarHBondContact O-N 3.16Å; N362-I412 WeakPolarHBondContact OD1-CD1 3.33Å |
| 363 | R | 94.8 | Very high | 93.1 | Very high | 159 Ų | 159 | 66.5 Ų | 66.5 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64 | -43.5 | 174.9 | -173.7 | -175 | 65.4 | -136.2 | -6.4 | 111.9 | D359 E360 Q366 K367 | D359-R363 PolarHBondContact O-N 3.43Å; D359-R363 VanDerWaalsContact O-N 3.15Å; E360-R363 PolarHBondContact O-N 3.12Å; R363-Q366 PolarHBondContact O-N 3.22Å; R363-K367 PolarHBondContact O-N 3.05Å; R363-K367 VanDerWaalsContact O-N 3.15Å |
| 364 | E | 92.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 62 Ų | 62 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.9 | -36.3 | 177.2 | -150.7 | 65.2 | -150.7 | 0 | 0 | 111.7 | E360 L361 Q366 K367 E368 L408 | E360-E364 PolarHBondContact O-N 3.42Å; E360-E364 VanDerWaalsContact O-N 3.17Å; L361-E364 PolarHBondContact O-N 3.44Å; E364-Q366 VanDerWaalsContact C-N 3.33Å; E364-Q366 PolarHBondContact O-N 3.02Å; E364-K367 PolarHBondContact O-N 2.97Å; E364-K367 WeakPolarHBondContact OE1-CD 3.43Å; E364-K367 IonicContact OE1-NZ 3.51Å; E364-K367 PolarHBondContact OE1-NZ 2.86Å; E364-E368 PolarHBondContact O-N 3.4Å; E364-L408 HydrophobicContact CB-CD1 4.41Å; E364-L408 HydrophobicContact CG-CD1 4.49Å |
| 365 | L | 95.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 172.3 | 175.6 | 63.7 | 0 | 0 | 0 | 111.4 | L361 N362 T369 I405 L408 R409 I412 | L361-L365 VanDerWaalsContact O-CB 3.23Å; L361-L365 WeakPolarHBondContact O-CB 3.3Å; L361-L365 PolarHBondContact O-N 3.33Å; N362-L365 PolarHBondContact O-N 3.05Å; L365-T369 WeakPolarHBondContact O-CB 3.46Å; L365-T369 PolarHBondContact O-N 3.18Å; L365-T369 PolarHBondContact O-OG1 3.39Å; L365-I405 HydrophobicContact CD1-CB 4.28Å; L365-I405 HydrophobicContact CD1-CG1 4.34Å; L365-I405 HydrophobicContact CD1-CG2 3.92Å; L365-L408 HydrophobicContact CB-CB 4.28Å; L365-L408 HydrophobicContact CB-CD1 4.43Å; L365-L408 HydrophobicContact CD1-CB 4.11Å; L365-R409 HydrophobicContact CD1-CG 3.84Å; L365-R409 HydrophobicContact CD2-CG 3.76Å; L365-R409 HydrophobicContact CG-CG 4.5Å; L365-I412 HydrophobicContact CB-CD1 4.02Å; L365-I412 HydrophobicContact CD2-CD1 3.49Å; L365-I412 VanDerWaalsContact CD2-CD1 3.49Å; L365-I412 HydrophobicContact CG-CD1 4.33Å |
| 366 | Q | 94.6 | Very high | 94 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.8 | -173.3 | 60.3 | 49.2 | 0 | 0 | 110.8 | N362 R363 E364 E368 T369 D370 | N362-Q366 WeakPolarHBondContact O-CB 3.31Å; N362-Q366 PolarHBondContact O-N 3.16Å; R363-Q366 PolarHBondContact O-N 3.22Å; E364-Q366 VanDerWaalsContact C-N 3.33Å; E364-Q366 PolarHBondContact O-N 3.02Å; Q366-E368 PolarHBondContact O-N 2.89Å; Q366-T369 CarbonylContact O-C 3.55Å; Q366-T369 WeakPolarHBondContact O-CA 3.46Å; Q366-T369 VanDerWaalsContact O-CB 3.3Å; Q366-T369 WeakPolarHBondContact O-CB 3.46Å; Q366-T369 PolarHBondContact O-N 3.24Å; Q366-D370 PolarHBondContact NE2-OD1 3.35Å; Q366-D370 PolarHBondContact NE2-OD2 3.01Å; Q366-D370 VanDerWaalsContact O-CG 3.23Å; Q366-D370 PolarHBondContact O-N 3.43Å |
| 367 | K | 94.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 177.8 | 176.9 | -176.7 | 151.3 | -150.2 | 0 | 113.1 | R363 E364 T369 D370 Q371 | R363-K367 PolarHBondContact O-N 3.05Å; R363-K367 VanDerWaalsContact O-N 3.15Å; E364-K367 PolarHBondContact O-N 2.97Å; E364-K367 WeakPolarHBondContact OE1-CD 3.43Å; E364-K367 IonicContact OE1-NZ 3.51Å; E364-K367 PolarHBondContact OE1-NZ 2.86Å; K367-T369 VanDerWaalsContact C-N 3.29Å; K367-T369 PolarHBondContact O-N 3.06Å; K367-D370 PolarHBondContact O-N 3.09Å; K367-Q371 WeakPolarHBondContact O-CB 3.42Å; K367-Q371 PolarHBondContact O-N 3.44Å |
| 368 | E | 94.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 173.7 | -72.3 | -78.4 | 131.4 | 0 | 0 | 111.5 | E364 Q366 R372 N404 I405 L408 | E364-E368 PolarHBondContact O-N 3.4Å; Q366-E368 PolarHBondContact O-N 2.89Å; E368-R372 VanDerWaalsContact O-CB 3.24Å; E368-R372 WeakPolarHBondContact O-CB 3.22Å; E368-R372 PolarHBondContact O-N 3.43Å; E368-N404 HydrophobicContact CG-CB 4.38Å; E368-N404 WeakPolarHBondContact OE2-CB 3.21Å; E368-N404 PolarHBondContact OE2-ND2 2.77Å; E368-N404 VanDerWaalsContact OE2-ND2 3.11Å; E368-I405 HydrophobicContact CB-CG1 3.83Å; E368-L408 HydrophobicContact CB-CD1 4.44Å; E368-L408 HydrophobicContact CG-CD1 3.94Å |
| 369 | T | 94.1 | Very high | 94.3 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | L365 Q366 K367 R372 D373 | L365-T369 WeakPolarHBondContact O-CB 3.46Å; L365-T369 PolarHBondContact O-N 3.18Å; L365-T369 PolarHBondContact O-OG1 3.39Å; Q366-T369 CarbonylContact O-C 3.55Å; Q366-T369 WeakPolarHBondContact O-CA 3.46Å; Q366-T369 VanDerWaalsContact O-CB 3.3Å; Q366-T369 WeakPolarHBondContact O-CB 3.46Å; Q366-T369 PolarHBondContact O-N 3.24Å; K367-T369 VanDerWaalsContact C-N 3.29Å; K367-T369 PolarHBondContact O-N 3.06Å; T369-R372 VanDerWaalsContact CG2-NH2 3.25Å; T369-R372 PolarHBondContact O-N 3.02Å; T369-R372 PolarHBondContact O-NE 3.42Å; T369-R372 PolarHBondContact O-NH2 3.45Å; T369-D373 PolarHBondContact O-N 2.98Å |
| 370 | D | 94.6 | Very high | 94.2 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 178.2 | -64.6 | -30.4 | 0 | 0 | 0 | 111.3 | Q366 K367 R372 D373 A374 | Q366-D370 PolarHBondContact NE2-OD1 3.35Å; Q366-D370 PolarHBondContact NE2-OD2 3.01Å; Q366-D370 VanDerWaalsContact O-CG 3.23Å; Q366-D370 PolarHBondContact O-N 3.43Å; K367-D370 PolarHBondContact O-N 3.09Å; D370-R372 VanDerWaalsContact C-N 3.31Å; D370-R372 PolarHBondContact O-N 3.06Å; D370-D373 PolarHBondContact O-N 2.96Å; D370-A374 PolarHBondContact O-N 3.38Å |
| 371 | Q | 94.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 174.7 | -178.1 | 176 | -38.5 | 0 | 0 | 111.6 | K367 A374 L375 T401 | K367-Q371 WeakPolarHBondContact O-CB 3.42Å; K367-Q371 PolarHBondContact O-N 3.44Å; Q371-A374 PolarHBondContact O-N 3.48Å; Q371-L375 HydrophobicContact CG-CD1 4.31Å; Q371-L375 WeakPolarHBondContact O-CG 3.46Å; Q371-L375 PolarHBondContact O-N 3.14Å; Q371-T401 HydrophobicContact CG-CG2 4.26Å |
| 372 | R | 96.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 67.3 Ų | 67.3 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.5 | -32.4 | 176.2 | 177 | -77 | -40.9 | 154.6 | 18.9 | 112.5 | E368 T369 D370 N376 I405 | E368-R372 VanDerWaalsContact O-CB 3.24Å; E368-R372 WeakPolarHBondContact O-CB 3.22Å; E368-R372 PolarHBondContact O-N 3.43Å; T369-R372 VanDerWaalsContact CG2-NH2 3.25Å; T369-R372 PolarHBondContact O-N 3.02Å; T369-R372 PolarHBondContact O-NE 3.42Å; T369-R372 PolarHBondContact O-NH2 3.45Å; D370-R372 VanDerWaalsContact C-N 3.31Å; D370-R372 PolarHBondContact O-N 3.06Å; R372-N376 WeakPolarHBondContact O-CB 3.29Å; R372-N376 VanDerWaalsContact O-CG 3.26Å; R372-N376 PolarHBondContact O-N 3.36Å; R372-I405 HydrophobicContact CB-CD1 3.8Å; R372-I405 HydrophobicContact CG-CD1 3.9Å |
| 373 | D | 95.1 | Very high | 94 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.3 | -36.8 | 169.3 | -90.4 | -36.4 | 0 | 0 | 0 | 112.7 | T369 D370 K377 | T369-D373 PolarHBondContact O-N 2.98Å; D370-D373 PolarHBondContact O-N 2.96Å; D373-K377 VanDerWaalsContact O-CG 3.27Å; D373-K377 WeakPolarHBondContact O-CG 3.44Å; D373-K377 PolarHBondContact O-N 2.96Å |
| 374 | A | 94.3 | Very high | 93.8 | Very high | 50 Ų | 50 | 69 Ų | 69 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D370 Q371 N376 K377 M378 | D370-A374 PolarHBondContact O-N 3.38Å; Q371-A374 PolarHBondContact O-N 3.48Å; A374-N376 PolarHBondContact O-N 3.43Å; A374-K377 PolarHBondContact O-N 2.98Å; A374-M378 WeakPolarHBondContact O-CG 3.38Å; A374-M378 PolarHBondContact O-N 3.46Å |
| 375 | L | 95.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.8 | -71.3 | 169.7 | 0 | 0 | 0 | 112.4 | Q371 M378 K379 L394 K397 I398 T401 | Q371-L375 HydrophobicContact CG-CD1 4.31Å; Q371-L375 WeakPolarHBondContact O-CG 3.46Å; Q371-L375 PolarHBondContact O-N 3.14Å; L375-M378 PolarHBondContact O-N 2.97Å; L375-K379 PolarHBondContact O-N 3.12Å; L375-L394 HydrophobicContact CD2-CD2 4.48Å; L375-K397 HydrophobicContact CD1-CB 4.35Å; L375-K397 HydrophobicContact CD1-CG 4.2Å; L375-I398 HydrophobicContact CB-CD1 4.29Å; L375-I398 HydrophobicContact CB-CG1 3.65Å; L375-I398 HydrophobicContact CD1-CG1 4.35Å; L375-T401 HydrophobicContact CD1-CG2 4.18Å |
| 376 | N | 93.9 | Very high | 92.9 | Very high | 52 Ų | 52 | 72.6 Ų | 72.6 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 172.8 | -78.1 | -5.4 | 0 | 0 | 0 | 111.6 | R372 A374 M378 K379 D380 | R372-N376 WeakPolarHBondContact O-CB 3.29Å; R372-N376 VanDerWaalsContact O-CG 3.26Å; R372-N376 PolarHBondContact O-N 3.36Å; A374-N376 PolarHBondContact O-N 3.43Å; N376-M378 VanDerWaalsContact C-N 3.34Å; N376-M378 PolarHBondContact O-N 2.99Å; N376-K379 WeakPolarHBondContact O-CB 3.44Å; N376-K379 PolarHBondContact O-N 3.36Å; N376-K379 VanDerWaalsContact O-N 3.16Å; N376-D380 WeakPolarHBondContact O-CB 3.42Å; N376-D380 PolarHBondContact O-N 2.97Å |
| 377 | K | 95 | Very high | 92.3 | Very high | 141 Ų | 141 | 75.5 Ų | 75.5 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.5 | -37.8 | 175.8 | -72.5 | 165.2 | -173.8 | 170.2 | 0 | 112.6 | D373 A374 D380 V381 | D373-K377 VanDerWaalsContact O-CG 3.27Å; D373-K377 WeakPolarHBondContact O-CG 3.44Å; D373-K377 PolarHBondContact O-N 2.96Å; A374-K377 PolarHBondContact O-N 2.98Å; K377-D380 WeakPolarHBondContact O-CB 3.3Å; K377-D380 PolarHBondContact O-N 2.8Å; K377-V381 WeakPolarHBondContact O-CG2 3.48Å; K377-V381 PolarHBondContact O-N 3.02Å; K377-V381 VanDerWaalsContact O-N 3.12Å |
| 378 | M | 91.6 | Very high | 91.8 | Very high | 86 Ų | 86 | 75.1 Ų | 75.1 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 172.4 | -70.3 | 178.1 | 68.6 | 0 | 0 | 111.4 | A374 L375 N376 D380 V381 Y382 L394 | A374-M378 WeakPolarHBondContact O-CG 3.38Å; A374-M378 PolarHBondContact O-N 3.46Å; L375-M378 PolarHBondContact O-N 2.97Å; N376-M378 VanDerWaalsContact C-N 3.34Å; N376-M378 PolarHBondContact O-N 2.99Å; M378-D380 PolarHBondContact O-N 3.14Å; M378-V381 WeakPolarHBondContact O-CB 3.37Å; M378-V381 PolarHBondContact O-N 3.38Å; M378-V381 VanDerWaalsContact O-N 3.1Å; M378-Y382 PolarHBondContact O-N 3.17Å; M378-L394 HydrophobicContact CB-CD1 3.65Å |
| 379 | K | 92.3 | Very high | 91.4 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 17% | 0.17 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 174.9 | -164.4 | -174 | -176.9 | -164.4 | 0 | 111.7 | L375 N376 V381 Y382 E383 P391 L394 I398 | L375-K379 PolarHBondContact O-N 3.12Å; N376-K379 WeakPolarHBondContact O-CB 3.44Å; N376-K379 PolarHBondContact O-N 3.36Å; N376-K379 VanDerWaalsContact O-N 3.16Å; K379-V381 PolarHBondContact O-N 3.39Å; K379-Y382 PolarHBondContact O-N 3.07Å; K379-Y382 VanDerWaalsContact O-N 3.13Å; K379-E383 WeakPolarHBondContact CE-OE1 3.49Å; K379-E383 HydrophobicContact CG-CG 4.44Å; K379-E383 IonicContact NZ-OE1 2.63Å; K379-E383 PolarHBondContact NZ-OE1 3.47Å; K379-E383 WeakPolarHBondContact O-CG 3.39Å; K379-E383 PolarHBondContact O-N 2.85Å; K379-P391 WeakPolarHBondContact CE-O 3.29Å; K379-P391 HydrophobicContact CG-CB 3.93Å; K379-L394 HydrophobicContact CB-CD1 4.09Å; K379-I398 HydrophobicContact CB-CD1 4.19Å; K379-I398 HydrophobicContact CD-CD1 4Å |
| 380 | D | 92.3 | Very high | 91 | Very high | 80 Ų | 80 | 77.8 Ų | 77.8 | 43% | 0.428 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.1 | -28.6 | 173.3 | -104.3 | 58.7 | 0 | 0 | 0 | 113.9 | N376 K377 M378 K384 | N376-D380 WeakPolarHBondContact O-CB 3.42Å; N376-D380 PolarHBondContact O-N 2.97Å; K377-D380 WeakPolarHBondContact O-CB 3.3Å; K377-D380 PolarHBondContact O-N 2.8Å; M378-D380 PolarHBondContact O-N 3.14Å; D380-K384 WeakPolarHBondContact O-CD 3.41Å; D380-K384 WeakPolarHBondContact O-CE 3.38Å; D380-K384 VanDerWaalsContact O-CG 3.22Å; D380-K384 WeakPolarHBondContact O-CG 3.43Å; D380-K384 PolarHBondContact O-NZ 3.33Å; D380-K384 IonicContact OD2-NZ 2.68Å; D380-K384 PolarHBondContact OD2-NZ 3.33Å |
| 381 | V | 92.7 | Very high | 90.6 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -81.1 | -43.4 | 174.9 | 167.5 | 0 | 0 | 0 | 0 | 110.3 | K377 M378 K379 K384 N385 M388 | K377-V381 WeakPolarHBondContact O-CG2 3.48Å; K377-V381 PolarHBondContact O-N 3.02Å; K377-V381 VanDerWaalsContact O-N 3.12Å; M378-V381 WeakPolarHBondContact O-CB 3.37Å; M378-V381 PolarHBondContact O-N 3.38Å; M378-V381 VanDerWaalsContact O-N 3.1Å; K379-V381 PolarHBondContact O-N 3.39Å; V381-K384 PolarHBondContact O-N 2.94Å; V381-N385 PolarHBondContact O-N 3.5Å; V381-M388 HydrophobicContact CG1-CG 4.44Å |
| 382 | Y | 94 | Very high | 90.4 | Very high | 45 Ų | 45 | 76.5 Ų | 76.5 | 18% | 0.176 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 176 | -70 | 1.5 | 0 | 0 | 0 | 111.9 | M378 K379 K384 N385 M388 G389 D390 L394 | M378-Y382 PolarHBondContact O-N 3.17Å; K379-Y382 PolarHBondContact O-N 3.07Å; K379-Y382 VanDerWaalsContact O-N 3.13Å; Y382-K384 VanDerWaalsContact C-N 3.26Å; Y382-K384 PolarHBondContact O-N 2.67Å; Y382-N385 CarbonylContact O-C 3.55Å; Y382-N385 PolarHBondContact O-N 3.48Å; Y382-M388 HydrophobicContact CD1-CB 3.74Å; Y382-M388 HydrophobicContact CE1-CB 3.9Å; Y382-M388 WeakPolarHBondContact CE1-O 3.1Å; Y382-M388 PolarHBondContact OH-O 3.38Å; Y382-G389 WeakPolarHBondContact CB-O 3.49Å; Y382-D390 WeakPolarHBondContact CD2-O 3.46Å; Y382-L394 HydrophobicContact CD2-CD1 3.67Å; Y382-L394 HydrophobicContact CD2-CG 4.05Å; Y382-L394 HydrophobicContact CE2-CD1 3.66Å; Y382-L394 HydrophobicContact CE2-CD2 4.16Å; Y382-L394 HydrophobicContact CE2-CG 3.84Å |
| 383 | E | 90.4 | Very high | 90.1 | Very high | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -28 | 177.6 | -73.6 | -176.7 | -171.2 | 0 | 0 | 112.3 | K379 P391 | K379-E383 WeakPolarHBondContact CE-OE1 3.49Å; K379-E383 HydrophobicContact CG-CG 4.44Å; K379-E383 IonicContact NZ-OE1 2.63Å; K379-E383 PolarHBondContact NZ-OE1 3.47Å; K379-E383 WeakPolarHBondContact O-CG 3.39Å; K379-E383 PolarHBondContact O-N 2.85Å; E383-P391 HydrophobicContact CB-CG 4.24Å; E383-P391 HydrophobicContact CG-CB 3.61Å; E383-P391 HydrophobicContact CG-CG 3.49Å; E383-P391 VanDerWaalsContact CG-CG 3.49Å |
| 384 | K | 90.5 | Very high | 89.9 | Confident | 150 Ų | 150 | 76 Ų | 76 | 65% | 0.652 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -21 | 178.7 | -66.6 | 172.2 | -162.6 | 118.8 | 0 | 113.2 | D380 V381 Y382 | D380-K384 WeakPolarHBondContact O-CD 3.41Å; D380-K384 WeakPolarHBondContact O-CE 3.38Å; D380-K384 VanDerWaalsContact O-CG 3.22Å; D380-K384 WeakPolarHBondContact O-CG 3.43Å; D380-K384 PolarHBondContact O-NZ 3.33Å; D380-K384 IonicContact OD2-NZ 2.68Å; D380-K384 PolarHBondContact OD2-NZ 3.33Å; V381-K384 PolarHBondContact O-N 2.94Å; Y382-K384 VanDerWaalsContact C-N 3.26Å; Y382-K384 PolarHBondContact O-N 2.67Å |
| 385 | N | 86.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | trans | -143.1 | 84.4 | -179.5 | -165.9 | 10.6 | 0 | 0 | 0 | 111.4 | V381 Y382 Q387 M388 | V381-N385 PolarHBondContact O-N 3.5Å; Y382-N385 CarbonylContact O-C 3.55Å; Y382-N385 PolarHBondContact O-N 3.48Å; N385-Q387 PolarHBondContact O-N 3.22Å; N385-Q387 VanDerWaalsContact OD1-CD 3.26Å; N385-Q387 VanDerWaalsContact OD1-CG 3.31Å; N385-Q387 WeakPolarHBondContact OD1-CG 3.24Å; N385-Q387 PolarHBondContact OD1-OE1 3.2Å; N385-M388 HydrophobicContact CB-CG 3.95Å; N385-M388 WeakPolarHBondContact ND2-CG 3.48Å; N385-M388 WeakPolarHBondContact O-CB 3.32Å; N385-M388 PolarHBondContact O-N 3.42Å | ||
| 386 | P | 82.8 | Confident | 89.6 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -59.1 | -19 | -171.6 | -27.9 | 36.4 | 0 | 0 | 0 | 116 | M388 | P386-M388 PolarHBondContact O-N 2.99Š|
| 387 | Q | 82.9 | Confident | 89.4 | Confident | 165 Ų | 165 | 83.7 Ų | 83.7 | 77% | 0.771 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -70.8 | -16.9 | 175.3 | 79 | -160.9 | 31.6 | 0 | 0 | 113.5 | N385 | N385-Q387 PolarHBondContact O-N 3.22Å; N385-Q387 VanDerWaalsContact OD1-CD 3.26Å; N385-Q387 VanDerWaalsContact OD1-CG 3.31Å; N385-Q387 WeakPolarHBondContact OD1-CG 3.24Å; N385-Q387 PolarHBondContact OD1-OE1 3.2Å |
| 388 | M | 82.9 | Confident | 89.2 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 50% | 0.502 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -82 | -14.9 | -179.8 | -61 | -61.5 | -59.8 | 0 | 0 | 113.1 | V381 Y382 N385 P386 | V381-M388 HydrophobicContact CG1-CG 4.44Å; Y382-M388 HydrophobicContact CD1-CB 3.74Å; Y382-M388 HydrophobicContact CE1-CB 3.9Å; Y382-M388 WeakPolarHBondContact CE1-O 3.1Å; Y382-M388 PolarHBondContact OH-O 3.38Å; N385-M388 HydrophobicContact CB-CG 3.95Å; N385-M388 WeakPolarHBondContact ND2-CG 3.48Å; N385-M388 WeakPolarHBondContact O-CB 3.32Å; N385-M388 PolarHBondContact O-N 3.42Å; P386-M388 PolarHBondContact O-N 2.99Å |
| 389 | G | 85.8 | Confident | 89.3 | Confident | 22 Ų | 22 | 76 Ų | 76 | 23% | 0.227 | 41% | 0.405 | C | S | . | . | trans | 146.8 | 161.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y382 | Y382-G389 WeakPolarHBondContact CB-O 3.49Š| ||
| 390 | D | 86.6 | Confident | 89.2 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | trans | -78.5 | 123.3 | 173.9 | 163.9 | 35.4 | 0 | 0 | 0 | 110.7 | Y382 N392 S393 | Y382-D390 WeakPolarHBondContact CD2-O 3.46Å; D390-N392 PolarHBondContact O-N 3.24Å; D390-N392 VanDerWaalsContact O-N 3.11Å; D390-N392 WeakPolarHBondContact OD1-CB 3.49Å; D390-N392 PolarHBondContact OD1-N 3.37Å; D390-N392 PolarHBondContact OD1-ND2 2.9Å; D390-N392 WeakPolarHBondContact OD2-CB 3.33Å; D390-S393 WeakPolarHBondContact O-CB 3.36Å; D390-S393 PolarHBondContact O-N 2.97Å; D390-S393 VanDerWaalsContact O-N 3.1Å; D390-S393 PolarHBondContact O-OG 2.7Å; D390-S393 PolarHBondContact OD2-N 3.33Å; D390-S393 VanDerWaalsContact OD2-N 3.13Å | ||
| 391 | P | 86.7 | Confident | 89.3 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -30.7 | 174.4 | -28.2 | 35.5 | 0 | 0 | 0 | 114.9 | K379 E383 | K379-P391 WeakPolarHBondContact CE-O 3.29Å; K379-P391 HydrophobicContact CG-CB 3.93Å; E383-P391 HydrophobicContact CB-CG 4.24Å; E383-P391 HydrophobicContact CG-CB 3.61Å; E383-P391 HydrophobicContact CG-CG 3.49Å; E383-P391 VanDerWaalsContact CG-CG 3.49Å |
| 392 | N | 90 | Very high | 89.2 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -24.7 | -176.2 | -54.1 | -81.6 | 0 | 0 | 0 | 111.9 | D390 L394 Q395 P396 | D390-N392 PolarHBondContact O-N 3.24Å; D390-N392 VanDerWaalsContact O-N 3.11Å; D390-N392 WeakPolarHBondContact OD1-CB 3.49Å; D390-N392 PolarHBondContact OD1-N 3.37Å; D390-N392 PolarHBondContact OD1-ND2 2.9Å; D390-N392 WeakPolarHBondContact OD2-CB 3.33Å; N392-L394 PolarHBondContact O-N 3.44Å; N392-Q395 WeakPolarHBondContact O-CB 3.42Å; N392-Q395 PolarHBondContact O-N 2.82Å; N392-P396 WeakPolarHBondContact O-CD 3.34Å |
| 393 | S | 90.6 | Very high | 89.3 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.8 | 173.6 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | D390 P396 | D390-S393 WeakPolarHBondContact O-CB 3.36Å; D390-S393 PolarHBondContact O-N 2.97Å; D390-S393 VanDerWaalsContact O-N 3.1Å; D390-S393 PolarHBondContact O-OG 2.7Å; D390-S393 PolarHBondContact OD2-N 3.33Å; D390-S393 VanDerWaalsContact OD2-N 3.13Å; S393-P396 WeakPolarHBondContact O-CD 3.49Å |
| 394 | L | 91.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -19.6 | 176.9 | -59.2 | 179.4 | 0 | 0 | 0 | 112.9 | L375 M378 K379 Y382 N392 P396 K397 I398 | L375-L394 HydrophobicContact CD2-CD2 4.48Å; M378-L394 HydrophobicContact CB-CD1 3.65Å; K379-L394 HydrophobicContact CB-CD1 4.09Å; Y382-L394 HydrophobicContact CD2-CD1 3.67Å; Y382-L394 HydrophobicContact CD2-CG 4.05Å; Y382-L394 HydrophobicContact CE2-CD1 3.66Å; Y382-L394 HydrophobicContact CE2-CD2 4.16Å; Y382-L394 HydrophobicContact CE2-CG 3.84Å; N392-L394 PolarHBondContact O-N 3.44Å; L394-P396 VanDerWaalsContact C-CD 3.5Å; L394-K397 PolarHBondContact O-N 3.33Å; L394-K397 VanDerWaalsContact O-N 3.15Å; L394-I398 HydrophobicContact CB-CD1 3.93Å; L394-I398 WeakPolarHBondContact O-CG1 3.1Å; L394-I398 PolarHBondContact O-N 2.63Å |
| 395 | Q | 91.3 | Very high | 89.5 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -36.9 | -172.8 | -168.7 | 61.2 | 52.3 | 0 | 0 | 114.3 | N392 S399 | N392-Q395 WeakPolarHBondContact O-CB 3.42Å; N392-Q395 PolarHBondContact O-N 2.82Å; Q395-S399 PolarHBondContact NE2-OG 2.61Å; Q395-S399 WeakPolarHBondContact O-CB 3.5Å; Q395-S399 PolarHBondContact O-N 2.69Å; Q395-S399 PolarHBondContact O-OG 2.83Å |
| 396 | P | 91.9 | Very high | 89.8 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 59% | 0.591 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 173 | -24.3 | 35.1 | 0 | 0 | 0 | 112.7 | N392 S393 L394 S399 E400 | N392-P396 WeakPolarHBondContact O-CD 3.34Å; S393-P396 WeakPolarHBondContact O-CD 3.49Å; L394-P396 VanDerWaalsContact C-CD 3.5Å; P396-S399 WeakPolarHBondContact O-CB 3.23Å; P396-S399 PolarHBondContact O-N 2.91Å; P396-S399 VanDerWaalsContact O-N 3.09Å; P396-E400 PolarHBondContact O-N 3.45Å |
| 397 | K | 89.6 | Confident | 90.3 | Very high | 116 Ų | 116 | 69.7 Ų | 69.7 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.5 | -30.7 | -176.4 | -153.3 | 165.8 | -170.4 | 173.1 | 0 | 112.7 | L375 L394 S399 T401 | L375-K397 HydrophobicContact CD1-CB 4.35Å; L375-K397 HydrophobicContact CD1-CG 4.2Å; L394-K397 PolarHBondContact O-N 3.33Å; L394-K397 VanDerWaalsContact O-N 3.15Å; K397-S399 VanDerWaalsContact C-N 3.35Å; K397-T401 WeakPolarHBondContact O-CG2 3.23Å; K397-T401 PolarHBondContact O-N 2.88Å; K397-T401 PolarHBondContact O-OG1 3.29Å |
| 398 | I | 90.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 165.6 | -68 | 166.8 | 0 | 0 | 0 | 110.5 | L375 K379 L394 T401 N402 | L375-I398 HydrophobicContact CB-CD1 4.29Å; L375-I398 HydrophobicContact CB-CG1 3.65Å; L375-I398 HydrophobicContact CD1-CG1 4.35Å; K379-I398 HydrophobicContact CB-CD1 4.19Å; K379-I398 HydrophobicContact CD-CD1 4Å; L394-I398 HydrophobicContact CB-CD1 3.93Å; L394-I398 WeakPolarHBondContact O-CG1 3.1Å; L394-I398 PolarHBondContact O-N 2.63Å; I398-T401 PolarHBondContact O-OG1 2.83Å; I398-N402 WeakPolarHBondContact CG2-ND2 3.47Å; I398-N402 WeakPolarHBondContact O-CB 3.43Å; I398-N402 PolarHBondContact O-N 3.11Å; I398-N402 PolarHBondContact O-ND2 3.1Å |
| 399 | S | 92.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 179.7 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | Q395 P396 K397 C403 | Q395-S399 PolarHBondContact NE2-OG 2.61Å; Q395-S399 WeakPolarHBondContact O-CB 3.5Å; Q395-S399 PolarHBondContact O-N 2.69Å; Q395-S399 PolarHBondContact O-OG 2.83Å; P396-S399 WeakPolarHBondContact O-CB 3.23Å; P396-S399 PolarHBondContact O-N 2.91Å; P396-S399 VanDerWaalsContact O-N 3.09Å; K397-S399 VanDerWaalsContact C-N 3.35Å; S399-C403 WeakPolarHBondContact O-CB 3.49Å; S399-C403 PolarHBondContact O-N 3.32Å |
| 400 | E | 91.8 | Very high | 91.8 | Very high | 114 Ų | 114 | 66.6 Ų | 66.6 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -53.2 | 174.2 | -178.8 | 177.1 | -151.6 | 0 | 0 | 112.2 | P396 N402 C403 N404 | P396-E400 PolarHBondContact O-N 3.45Å; E400-N402 VanDerWaalsContact C-N 3.34Å; E400-N402 PolarHBondContact O-N 3.02Å; E400-C403 WeakPolarHBondContact O-CA 3.27Å; E400-C403 VanDerWaalsContact O-CB 3.28Å; E400-C403 WeakPolarHBondContact O-CB 3.41Å; E400-C403 PolarHBondContact O-N 2.98Å; E400-N404 PolarHBondContact O-N 3.38Å |
| 401 | T | 92.8 | Very high | 92 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -39.8 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | Q371 L375 K397 I398 C403 N404 I405 | Q371-T401 HydrophobicContact CG-CG2 4.26Å; L375-T401 HydrophobicContact CD1-CG2 4.18Å; K397-T401 WeakPolarHBondContact O-CG2 3.23Å; K397-T401 PolarHBondContact O-N 2.88Å; K397-T401 PolarHBondContact O-OG1 3.29Å; I398-T401 PolarHBondContact O-OG1 2.83Å; T401-C403 VanDerWaalsContact C-N 3.32Å; T401-C403 PolarHBondContact O-N 3.49Å; T401-N404 PolarHBondContact O-N 3.41Å; T401-I405 WeakPolarHBondContact O-CB 3.4Å; T401-I405 VanDerWaalsContact O-CG1 3.25Å; T401-I405 WeakPolarHBondContact O-CG1 3.37Å; T401-I405 PolarHBondContact O-N 3.46Å |
| 402 | N | 92.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 66 Ų | 66 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 171.4 | -82.1 | -65.4 | 0 | 0 | 0 | 112.8 | I398 E400 Q406 | I398-N402 WeakPolarHBondContact CG2-ND2 3.47Å; I398-N402 WeakPolarHBondContact O-CB 3.43Å; I398-N402 PolarHBondContact O-N 3.11Å; I398-N402 PolarHBondContact O-ND2 3.1Å; E400-N402 VanDerWaalsContact C-N 3.34Å; E400-N402 PolarHBondContact O-N 3.02Å; N402-Q406 WeakPolarHBondContact O-CG 3.22Å; N402-Q406 PolarHBondContact O-N 3.21Å |
| 403 | C | 94.3 | Very high | 92.4 | Very high | 56 Ų | 56 | 66.6 Ų | 66.6 | 38% | 0.378 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 174.3 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | S399 E400 T401 Q406 K407 | S399-C403 WeakPolarHBondContact O-CB 3.49Å; S399-C403 PolarHBondContact O-N 3.32Å; E400-C403 WeakPolarHBondContact O-CA 3.27Å; E400-C403 VanDerWaalsContact O-CB 3.28Å; E400-C403 WeakPolarHBondContact O-CB 3.41Å; E400-C403 PolarHBondContact O-N 2.98Å; T401-C403 VanDerWaalsContact C-N 3.32Å; T401-C403 PolarHBondContact O-N 3.49Å; C403-Q406 PolarHBondContact O-N 3.25Å; C403-K407 WeakPolarHBondContact O-CG 3.3Å; C403-K407 PolarHBondContact O-N 2.86Å; C403-K407 WeakPolarHBondContact SG-CE 3.4Å |
| 404 | N | 91.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.3 | -44 | 175.9 | -66 | -16.3 | 0 | 0 | 0 | 112.2 | E368 E400 T401 Q406 K407 L408 | E368-N404 HydrophobicContact CG-CB 4.38Å; E368-N404 WeakPolarHBondContact OE2-CB 3.21Å; E368-N404 PolarHBondContact OE2-ND2 2.77Å; E368-N404 VanDerWaalsContact OE2-ND2 3.11Å; E400-N404 PolarHBondContact O-N 3.38Å; T401-N404 PolarHBondContact O-N 3.41Å; N404-Q406 VanDerWaalsContact C-N 3.25Å; N404-Q406 PolarHBondContact O-N 3.43Å; N404-K407 PolarHBondContact O-N 2.89Å; N404-K407 VanDerWaalsContact O-N 3.13Å; N404-K407 PolarHBondContact OD1-NZ 3.34Å; N404-L408 WeakPolarHBondContact O-CB 3.42Å; N404-L408 WeakPolarHBondContact O-CG 3.44Å; N404-L408 PolarHBondContact O-N 3Å |
| 405 | I | 94.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54 | -42.7 | 171.3 | -72.1 | 167.3 | 0 | 0 | 0 | 110.8 | L365 E368 R372 T401 R409 | L365-I405 HydrophobicContact CD1-CB 4.28Å; L365-I405 HydrophobicContact CD1-CG1 4.34Å; L365-I405 HydrophobicContact CD1-CG2 3.92Å; E368-I405 HydrophobicContact CB-CG1 3.83Å; R372-I405 HydrophobicContact CB-CD1 3.8Å; R372-I405 HydrophobicContact CG-CD1 3.9Å; T401-I405 WeakPolarHBondContact O-CB 3.4Å; T401-I405 VanDerWaalsContact O-CG1 3.25Å; T401-I405 WeakPolarHBondContact O-CG1 3.37Å; T401-I405 PolarHBondContact O-N 3.46Å; I405-R409 WeakPolarHBondContact O-CB 3.33Å; I405-R409 VanDerWaalsContact O-CG 3.24Å; I405-R409 WeakPolarHBondContact O-CG 3.3Å; I405-R409 PolarHBondContact O-N 2.91Å |
| 406 | Q | 93.9 | Very high | 92.4 | Very high | 138 Ų | 138 | 67.4 Ų | 67.4 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 176.3 | -73.5 | 178.7 | 4.6 | 0 | 0 | 113.1 | N402 C403 N404 S410 | N402-Q406 WeakPolarHBondContact O-CG 3.22Å; N402-Q406 PolarHBondContact O-N 3.21Å; C403-Q406 PolarHBondContact O-N 3.25Å; N404-Q406 VanDerWaalsContact C-N 3.25Å; N404-Q406 PolarHBondContact O-N 3.43Å; Q406-S410 WeakPolarHBondContact O-CB 3.41Å; Q406-S410 PolarHBondContact O-N 3.48Å |
| 407 | K | 92.9 | Very high | 92.3 | Very high | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.457 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 174.5 | -66.4 | 164.7 | -157.7 | 156 | 0 | 111 | C403 N404 R409 S410 E411 | C403-K407 WeakPolarHBondContact O-CG 3.3Å; C403-K407 PolarHBondContact O-N 2.86Å; C403-K407 WeakPolarHBondContact SG-CE 3.4Å; N404-K407 PolarHBondContact O-N 2.89Å; N404-K407 VanDerWaalsContact O-N 3.13Å; N404-K407 PolarHBondContact OD1-NZ 3.34Å; K407-R409 PolarHBondContact O-N 3.06Å; K407-S410 CarbonylContact O-C 3.59Å; K407-S410 WeakPolarHBondContact O-CA 3.38Å; K407-S410 WeakPolarHBondContact O-CB 3.15Å; K407-S410 PolarHBondContact O-N 2.94Å; K407-S410 VanDerWaalsContact O-N 3.07Å; K407-E411 PolarHBondContact O-N 3.26Å |
| 408 | L | 94.1 | Very high | 92.3 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | -179.8 | -71.5 | 169.7 | 0 | 0 | 0 | 111.5 | L361 E364 L365 E368 N404 S410 E411 I412 | L361-L408 HydrophobicContact CD2-CD2 3.8Å; E364-L408 HydrophobicContact CB-CD1 4.41Å; E364-L408 HydrophobicContact CG-CD1 4.49Å; L365-L408 HydrophobicContact CB-CB 4.28Å; L365-L408 HydrophobicContact CB-CD1 4.43Å; L365-L408 HydrophobicContact CD1-CB 4.11Å; E368-L408 HydrophobicContact CB-CD1 4.44Å; E368-L408 HydrophobicContact CG-CD1 3.94Å; N404-L408 WeakPolarHBondContact O-CB 3.42Å; N404-L408 WeakPolarHBondContact O-CG 3.44Å; N404-L408 PolarHBondContact O-N 3Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-S410 PolarHBondContact O-N 3.03Å; L408-E411 PolarHBondContact O-N 3.4Å; L408-I412 WeakPolarHBondContact O-CB 3.45Å; L408-I412 WeakPolarHBondContact O-CD1 3.32Å; L408-I412 VanDerWaalsContact O-CG1 3.26Å; L408-I412 WeakPolarHBondContact O-CG1 3.04Å; L408-I412 PolarHBondContact O-N 3.01Å |
| 409 | R | 94.1 | Very high | 92.2 | Very high | 144 Ų | 144 | 63.5 Ų | 63.5 | 54% | 0.543 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 172.9 | -73.5 | 174.7 | -176 | -142.9 | 1.2 | 112.7 | L365 I405 K407 H413 | L365-R409 HydrophobicContact CD1-CG 3.84Å; L365-R409 HydrophobicContact CD2-CG 3.76Å; L365-R409 HydrophobicContact CG-CG 4.5Å; I405-R409 WeakPolarHBondContact O-CB 3.33Å; I405-R409 VanDerWaalsContact O-CG 3.24Å; I405-R409 WeakPolarHBondContact O-CG 3.3Å; I405-R409 PolarHBondContact O-N 2.91Å; K407-R409 PolarHBondContact O-N 3.06Å; R409-H413 WeakPolarHBondContact O-CB 3.46Å; R409-H413 PolarHBondContact O-N 3.29Å |
| 410 | S | 93.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.8 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | Q406 K407 L408 H413 K414 | Q406-S410 WeakPolarHBondContact O-CB 3.41Å; Q406-S410 PolarHBondContact O-N 3.48Å; K407-S410 CarbonylContact O-C 3.59Å; K407-S410 WeakPolarHBondContact O-CA 3.38Å; K407-S410 WeakPolarHBondContact O-CB 3.15Å; K407-S410 PolarHBondContact O-N 2.94Å; K407-S410 VanDerWaalsContact O-N 3.07Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-S410 PolarHBondContact O-N 3.03Å; S410-H413 PolarHBondContact O-N 3.27Å; S410-K414 VanDerWaalsContact O-CG 3.24Å; S410-K414 WeakPolarHBondContact O-CG 3.37Å; S410-K414 PolarHBondContact O-N 2.81Å; S410-K414 WeakPolarHBondContact OG-CE 3.3Å |
| 411 | E | 91.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 177.3 | -72.9 | 178.5 | -166.5 | 0 | 0 | 112.7 | L361 K407 L408 H413 K414 N415 | L361-E411 HydrophobicContact CD1-CB 4.03Å; K407-E411 PolarHBondContact O-N 3.26Å; L408-E411 PolarHBondContact O-N 3.4Å; E411-H413 VanDerWaalsContact C-N 3.34Å; E411-K414 PolarHBondContact O-N 2.79Å; E411-N415 PolarHBondContact O-N 3.01Å; E411-N415 PolarHBondContact O-ND2 3.06Å |
| 412 | I | 93.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -52.4 | 170 | -69.7 | 158.2 | 0 | 0 | 0 | 109.1 | I358 L361 N362 L365 L408 K414 N415 E416 | I358-I412 HydrophobicContact CG2-CG2 4.47Å; L361-I412 HydrophobicContact CB-CD1 4.09Å; L361-I412 HydrophobicContact CB-CG1 3.5Å; L361-I412 VanDerWaalsContact CB-CG1 3.5Å; L361-I412 HydrophobicContact CD1-CG1 4.25Å; L361-I412 HydrophobicContact CG-CG1 4.5Å; N362-I412 WeakPolarHBondContact OD1-CD1 3.33Å; L365-I412 HydrophobicContact CB-CD1 4.02Å; L365-I412 HydrophobicContact CD2-CD1 3.49Å; L365-I412 VanDerWaalsContact CD2-CD1 3.49Å; L365-I412 HydrophobicContact CG-CD1 4.33Å; L408-I412 WeakPolarHBondContact O-CB 3.45Å; L408-I412 WeakPolarHBondContact O-CD1 3.32Å; L408-I412 VanDerWaalsContact O-CG1 3.26Å; L408-I412 WeakPolarHBondContact O-CG1 3.04Å; L408-I412 PolarHBondContact O-N 3.01Å; I412-K414 VanDerWaalsContact C-N 3.34Å; I412-K414 PolarHBondContact O-N 2.89Å; I412-N415 CarbonylContact O-C 3.57Å; I412-N415 WeakPolarHBondContact O-CA 3.39Å; I412-N415 PolarHBondContact O-N 2.92Å; I412-E416 HydrophobicContact CG2-CG 4.09Å; I412-E416 WeakPolarHBondContact O-CG 3.38Å; I412-E416 PolarHBondContact O-N 3.25Å |
| 413 | H | 92.4 | Very high | 90.1 | Very high | 116 Ų | 116 | 63.6 Ų | 63.6 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | -177.8 | -168.9 | 53.4 | 0 | 0 | 0 | 114.1 | R409 S410 E411 E416 T417 | R409-H413 WeakPolarHBondContact O-CB 3.46Å; R409-H413 PolarHBondContact O-N 3.29Å; S410-H413 PolarHBondContact O-N 3.27Å; E411-H413 VanDerWaalsContact C-N 3.34Å; H413-E416 WeakPolarHBondContact CA-OE2 3.45Å; H413-E416 IonicContact ND1-OE2 3.55Å; H413-E416 PolarHBondContact ND1-OE2 3.46Å; H413-T417 WeakPolarHBondContact O-CB 3.45Å; H413-T417 PolarHBondContact O-N 3.45Å; H413-T417 PolarHBondContact O-OG1 3.44Å |
| 414 | K | 92.4 | Very high | 88.6 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 169.9 | -69.9 | 163.5 | -162.1 | 166.5 | 0 | 111.3 | S410 E411 I412 T417 W418 | S410-K414 VanDerWaalsContact O-CG 3.24Å; S410-K414 WeakPolarHBondContact O-CG 3.37Å; S410-K414 PolarHBondContact O-N 2.81Å; S410-K414 WeakPolarHBondContact OG-CE 3.3Å; E411-K414 PolarHBondContact O-N 2.79Å; I412-K414 VanDerWaalsContact C-N 3.34Å; I412-K414 PolarHBondContact O-N 2.89Å; K414-T417 WeakPolarHBondContact O-CB 3.17Å; K414-T417 PolarHBondContact O-N 3.41Å; K414-W418 HydrophobicContact CB-CH2 4.29Å; K414-W418 HydrophobicContact CB-CZ2 4.38Å; K414-W418 HydrophobicContact CB-CZ3 4.4Å; K414-W418 VanDerWaalsContact O-CD2 3.31Å; K414-W418 VanDerWaalsContact O-CG 3.29Å; K414-W418 PolarHBondContact O-N 2.91Å |
| 415 | N | 89.2 | Confident | 86.9 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -38 | 179.4 | -76.2 | -94.4 | 0 | 0 | 0 | 112 | L354 I358 E411 I412 T417 W418 L419 | L354-N415 HydrophobicContact CD2-CB 4.32Å; L354-N415 WeakPolarHBondContact CD2-OD1 3.47Å; I358-N415 HydrophobicContact CD1-CB 4.07Å; I358-N415 HydrophobicContact CG1-CB 3.59Å; E411-N415 PolarHBondContact O-N 3.01Å; E411-N415 PolarHBondContact O-ND2 3.06Å; I412-N415 CarbonylContact O-C 3.57Å; I412-N415 WeakPolarHBondContact O-CA 3.39Å; I412-N415 PolarHBondContact O-N 2.92Å; N415-T417 VanDerWaalsContact C-N 3.33Å; N415-W418 HydrophobicContact CB-CE3 4.47Å; N415-W418 PolarHBondContact O-N 2.92Å; N415-L419 VanDerWaalsContact O-CB 3.28Å; N415-L419 WeakPolarHBondContact O-CB 3.47Å; N415-L419 PolarHBondContact O-N 2.94Å |
| 416 | E | 91.5 | Very high | 84.7 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 171.5 | -70.8 | 173.7 | 157.1 | 0 | 0 | 112.1 | I358 I412 H413 L419 S420 | I358-E416 HydrophobicContact CD1-CG 4.1Å; I412-E416 HydrophobicContact CG2-CG 4.09Å; I412-E416 WeakPolarHBondContact O-CG 3.38Å; I412-E416 PolarHBondContact O-N 3.25Å; H413-E416 WeakPolarHBondContact CA-OE2 3.45Å; H413-E416 IonicContact ND1-OE2 3.55Å; H413-E416 PolarHBondContact ND1-OE2 3.46Å; E416-L419 PolarHBondContact O-N 3.31Å; E416-S420 WeakPolarHBondContact O-CB 3.3Å; E416-S420 PolarHBondContact O-N 2.93Å; E416-S420 PolarHBondContact O-OG 3.1Å |
| 417 | T | 89.4 | Confident | 82.1 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | H413 K414 N415 L419 S420 E421 | H413-T417 WeakPolarHBondContact O-CB 3.45Å; H413-T417 PolarHBondContact O-N 3.45Å; H413-T417 PolarHBondContact O-OG1 3.44Å; K414-T417 WeakPolarHBondContact O-CB 3.17Å; K414-T417 PolarHBondContact O-N 3.41Å; N415-T417 VanDerWaalsContact C-N 3.33Å; T417-L419 VanDerWaalsContact C-N 3.3Å; T417-L419 PolarHBondContact O-N 3.35Å; T417-S420 PolarHBondContact O-N 2.84Å; T417-E421 PolarHBondContact O-N 3.3Å |
| 418 | W | 89.6 | Confident | 79.5 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 19% | 0.193 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -33.8 | 175.3 | -62.5 | -32.2 | 0 | 0 | 0 | 112.8 | E340 D341 L354 K414 N415 V422 | E340-W418 HydrophobicContact CB-CH2 3.72Å; E340-W418 HydrophobicContact CB-CZ3 4.02Å; E340-W418 WeakPolarHBondContact O-CZ3 3.15Å; D341-W418 HydrophobicContact CB-CD2 3.59Å; D341-W418 HydrophobicContact CB-CE3 4.09Å; D341-W418 HydrophobicContact CB-CG 3.82Å; D341-W418 HydrophobicContact CB-CH2 4.49Å; D341-W418 HydrophobicContact CB-CZ2 4.05Å; L354-W418 HydrophobicContact CD1-CB 3.96Å; L354-W418 HydrophobicContact CD2-CB 3.94Å; L354-W418 HydrophobicContact CD2-CE3 4.02Å; K414-W418 HydrophobicContact CB-CH2 4.29Å; K414-W418 HydrophobicContact CB-CZ2 4.38Å; K414-W418 HydrophobicContact CB-CZ3 4.4Å; K414-W418 VanDerWaalsContact O-CD2 3.31Å; K414-W418 VanDerWaalsContact O-CG 3.29Å; K414-W418 PolarHBondContact O-N 2.91Å; N415-W418 HydrophobicContact CB-CE3 4.47Å; N415-W418 PolarHBondContact O-N 2.92Å; W418-V422 WeakPolarHBondContact O-CG2 3.49Å; W418-V422 PolarHBondContact O-N 3.46Å |
| 419 | L | 87.6 | Confident | 76.7 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.8 | -53 | 172.9 | -173.5 | 71.6 | 0 | 0 | 0 | 109.4 | R351 L354 I358 N415 E416 T417 E421 V422 E423 | R351-L419 HydrophobicContact CB-CD1 4.23Å; R351-L419 HydrophobicContact CG-CD1 3.51Å; L354-L419 HydrophobicContact CB-CB 4.43Å; L354-L419 HydrophobicContact CB-CD1 3.93Å; I358-L419 HydrophobicContact CD1-CB 4.33Å; I358-L419 HydrophobicContact CD1-CD2 3.88Å; N415-L419 VanDerWaalsContact O-CB 3.28Å; N415-L419 WeakPolarHBondContact O-CB 3.47Å; N415-L419 PolarHBondContact O-N 2.94Å; E416-L419 PolarHBondContact O-N 3.31Å; T417-L419 VanDerWaalsContact C-N 3.3Å; T417-L419 PolarHBondContact O-N 3.35Å; L419-E421 VanDerWaalsContact C-N 3.27Å; L419-E421 PolarHBondContact O-N 3.13Å; L419-V422 WeakPolarHBondContact O-CA 3.23Å; L419-V422 WeakPolarHBondContact O-CB 3.39Å; L419-V422 PolarHBondContact O-N 3.39Å; L419-E423 HydrophobicContact CG-CG 4.33Å; L419-E423 WeakPolarHBondContact O-CG 3.49Å; L419-E423 PolarHBondContact O-N 3.24Å |
| 420 | S | 86 | Confident | 73.7 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.7 | -35.5 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 113 | E416 T417 V422 E423 G424 | E416-S420 WeakPolarHBondContact O-CB 3.3Å; E416-S420 PolarHBondContact O-N 2.93Å; E416-S420 PolarHBondContact O-OG 3.1Å; T417-S420 PolarHBondContact O-N 2.84Å; S420-V422 VanDerWaalsContact C-N 3.34Å; S420-V422 PolarHBondContact O-N 2.96Å; S420-E423 PolarHBondContact O-N 3.01Å; S420-G424 PolarHBondContact O-N 3.08Å |
| 421 | E | 83.8 | Confident | 70.8 | Confident | 84 Ų | 84 | 80 Ų | 80 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 171.6 | -85.8 | -164.4 | -130.9 | 0 | 0 | 113.5 | T417 L419 K425 | T417-E421 PolarHBondContact O-N 3.3Å; L419-E421 VanDerWaalsContact C-N 3.27Å; L419-E421 PolarHBondContact O-N 3.13Å; E421-K425 WeakPolarHBondContact O-CB 3.48Å; E421-K425 VanDerWaalsContact O-CD 3.23Å; E421-K425 WeakPolarHBondContact O-CD 3.43Å; E421-K425 WeakPolarHBondContact O-CG 3.3Å; E421-K425 PolarHBondContact O-N 3.45Å; E421-K425 IonicContact OE2-NZ 3.75Å; E421-K425 PolarHBondContact OE2-NZ 3.26Å |
| 422 | V | 79.9 | Confident | 68.1 | Low | 8 Ų | 8 | 87.5 Ų | 87.5 | 5% | 0.048 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -74.2 | -39.8 | 178.2 | 173 | 0 | 0 | 0 | 0 | 110.5 | P347 R350 R351 L354 W418 L419 S420 | P347-V422 HydrophobicContact CB-CG1 4.09Å; P347-V422 VanDerWaalsContact O-CG1 3.32Å; P347-V422 WeakPolarHBondContact O-CG1 3.43Å; R350-V422 HydrophobicContact CB-CG2 4.46Å; R350-V422 VanDerWaalsContact CD-CG2 3.49Å; R350-V422 HydrophobicContact CG-CG2 3.91Å; R351-V422 HydrophobicContact CB-CG1 4.16Å; L354-V422 HydrophobicContact CD1-CG2 4.43Å; W418-V422 WeakPolarHBondContact O-CG2 3.49Å; W418-V422 PolarHBondContact O-N 3.46Å; L419-V422 WeakPolarHBondContact O-CA 3.23Å; L419-V422 WeakPolarHBondContact O-CB 3.39Å; L419-V422 PolarHBondContact O-N 3.39Å; S420-V422 VanDerWaalsContact C-N 3.34Å; S420-V422 PolarHBondContact O-N 2.96Å |
| 423 | E | 77.4 | Confident | 65.2 | Low | 68 Ų | 68 | 96.5 Ų | 96.5 | 32% | 0.318 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.6 | -47.4 | 177.3 | -42 | -136.4 | 148.8 | 0 | 0 | 111 | R351 L419 S420 K425 Q426 S427 | R351-E423 WeakPolarHBondContact CD-OE1 3.45Å; R351-E423 VanDerWaalsContact CZ-CD 3.43Å; R351-E423 IonicContact CZ-OE1 3.84Å; R351-E423 VanDerWaalsContact CZ-OE1 3.22Å; R351-E423 IonicContact CZ-OE2 3.52Å; R351-E423 IonicContact NE-OE1 2.68Å; R351-E423 PolarHBondContact NE-OE1 3.16Å; R351-E423 IonicContact NH1-OE1 2.66Å; R351-E423 PolarHBondContact NH1-OE1 2.79Å; R351-E423 IonicContact NH1-OE2 2.83Å; R351-E423 PolarHBondContact NH1-OE2 2.94Å; L419-E423 HydrophobicContact CG-CG 4.33Å; L419-E423 WeakPolarHBondContact O-CG 3.49Å; L419-E423 PolarHBondContact O-N 3.24Å; S420-E423 PolarHBondContact O-N 3.01Å; E423-K425 VanDerWaalsContact C-N 3.29Å; E423-K425 PolarHBondContact O-N 3.08Å; E423-Q426 WeakPolarHBondContact O-CB 3.33Å; E423-Q426 PolarHBondContact O-N 3.47Å; E423-S427 PolarHBondContact O-N 3.07Å; E423-S427 PolarHBondContact O-OG 3.41Å |
| 424 | G | 62.6 | Low | 62.3 | Low | 46 Ų | 46 | 99 Ų | 99 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -29.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S420 Q426 S427 | S420-G424 PolarHBondContact O-N 3.08Å; G424-Q426 VanDerWaalsContact C-N 3.31Å; G424-Q426 PolarHBondContact O-N 2.76Å; G424-S427 PolarHBondContact O-N 3.18Å |
| 425 | K | 54.7 | Low | 59.3 | Low | 127 Ų | 127 | 99.5 Ų | 99.5 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -29.5 | 172.5 | -76.4 | 164 | -164.8 | 158.4 | 0 | 112.1 | E421 E423 S428 | E421-K425 WeakPolarHBondContact O-CB 3.48Å; E421-K425 VanDerWaalsContact O-CD 3.23Å; E421-K425 WeakPolarHBondContact O-CD 3.43Å; E421-K425 WeakPolarHBondContact O-CG 3.3Å; E421-K425 PolarHBondContact O-N 3.45Å; E421-K425 IonicContact OE2-NZ 3.75Å; E421-K425 PolarHBondContact OE2-NZ 3.26Å; E423-K425 VanDerWaalsContact C-N 3.29Å; E423-K425 PolarHBondContact O-N 3.08Å; K425-S428 PolarHBondContact O-OG 3.13Å |
| 426 | Q | 49 | Very low | 56.5 | Low | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.5 | -28.7 | 173.7 | -110.3 | 171.9 | -33.3 | 0 | 0 | 113 | E423 G424 S428 | E423-Q426 WeakPolarHBondContact O-CB 3.33Å; E423-Q426 PolarHBondContact O-N 3.47Å; G424-Q426 VanDerWaalsContact C-N 3.31Å; G424-Q426 PolarHBondContact O-N 2.76Å; Q426-S428 PolarHBondContact O-N 2.96Å |
| 427 | S | 40 | Very low | 53.5 | Low | 102 Ų | 102 | 106 Ų | 106 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 8.3 | -177.3 | -53.8 | 0 | 0 | 0 | 0 | 115.9 | E423 G424 | E423-S427 PolarHBondContact O-N 3.07Å; E423-S427 PolarHBondContact O-OG 3.41Å; G424-S427 PolarHBondContact O-N 3.18Å |
| 428 | S | 38 | Very low | 50.7 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 8.5 | -171.6 | 60.5 | 0 | 0 | 0 | 0 | 115.4 | K425 Q426 | K425-S428 PolarHBondContact O-OG 3.13Å; Q426-S428 PolarHBondContact O-N 2.96Å |
| 429 | R | 35.1 | Very low | 48 | Very low | 239 Ų | 239 | 112.3 Ų | 112.3 | 90% | 0.902 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -143.5 | 101.8 | 173 | -76.5 | -173.2 | 169.2 | 172.6 | -3.1 | 112.5 | ||
| 430 | G | 31.5 | Very low | 45.4 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 85% | 0.845 | 63% | 0.626 | S | S | * | * | trans | 146.5 | 60.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 431 | D | 31.6 | Very low | 42.8 | Very low | 130 Ų | 130 | 121 Ų | 121 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | trans | -78.5 | 123.8 | 166.3 | 171.3 | 44.6 | 0 | 0 | 0 | 110.8 | ||||
| 432 | R | 33.9 | Very low | 40.3 | Very low | 239 Ų | 239 | 122.2 Ų | 122.2 | 90% | 0.902 | 64% | 0.643 | S | S | * | * | -166.4 | 156.9 | 126.6 | -103.9 | 162.9 | -169.6 | -159.2 | 0.5 | 112.8 | |||||
| 433 | R | 33.3 | Very low | 38.6 | Very low | 198 Ų | 198 | 127 Ų | 127 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | trans | -107.6 | 174 | -162.3 | -66.2 | 173.8 | 171.3 | -175.9 | -5.6 | 113.9 | ||||
| 434 | H | 32 | Very low | 36.3 | Very low | 167 Ų | 167 | 133 Ų | 133 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | 99.1 | 145 | 153.9 | -53.9 | -73.2 | 0 | 0 | 0 | 117 | ||||
| 435 | S | 30.4 | Very low | 34.6 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | cis | 156.5 | 131.4 | -33 | 165.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 436 | A | 30.1 | Very low | 33.4 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | 64.8 | 158.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 437 | D | 28.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | cis | -164.9 | 135.4 | -32.1 | -172.2 | 44.6 | 0 | 0 | 0 | 111.4 | ||||
| 438 | N | 29.5 | Very low | 32 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | trans | 63.5 | 165.5 | 146.7 | -159.5 | 3.1 | 0 | 0 | 0 | 122.3 | ||||
| 439 | H | 32.7 | Very low | 32.4 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | trans | 74.3 | 141.7 | 174.2 | -51.3 | 85.6 | 0 | 0 | 0 | 116.1 | ||||
| 440 | H | 33.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | cis | -174.9 | 176 | -7.6 | -112.3 | 8.2 | 0 | 0 | 0 | 109 | ||||
| 441 | H | 30.8 | Very low | 32 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 63% | 0.634 | 76% | 0.757 | S | S | * | * | cis | -158.1 | 121.4 | 2.8 | -147.9 | 56.1 | 0 | 0 | 0 | 113.1 | ||||
| 442 | T | 31.6 | Very low | 32 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | trans | 67.3 | -164.1 | 137.5 | 71.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 443 | P | 44 | Very low | 31.9 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | -140.8 | -168.5 | -115.8 | 42.8 | -18.1 | 0 | 0 | 0 | 117.6 | |||||
| 444 | H | 30.3 | Very low | 32 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | trans | 17.4 | 123.1 | 151.2 | -82.6 | 55.8 | 0 | 0 | 0 | 120.2 | ||||
| 445 | G | 25.9 | Very low | 32 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -152.5 | 146.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 446 | R | 30.3 | Very low | 32.1 | Very low | 237 Ų | 237 | 135.7 Ų | 135.7 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | trans | -87.9 | 152.7 | 170.2 | -68.4 | 171.1 | 167.8 | 174.9 | -5.7 | 109.5 | ||||
| 447 | E | 28.2 | Very low | 32.3 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | 172.2 | 154.5 | 101.1 | -87.8 | -171 | 125.8 | 0 | 0 | 112.6 | |||||
| 448 | S | 31.4 | Very low | 32.5 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -81.1 | 174 | 165.9 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 449 | P | 46.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | cis | -156.7 | -170 | 32.9 | 46.7 | -24 | 0 | 0 | 0 | 119.6 | ||||
| 450 | E | 29 | Very low | 32.9 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | 74.3 | 146.1 | 149.8 | -81.8 | 177.5 | 149.1 | 0 | 0 | 122.5 | ||||
| 451 | G | 29 | Very low | 32.9 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | 99.5 | 120 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 452 | S | 31.2 | Very low | 32.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | -176.3 | 167.6 | -54.4 | -174.3 | 0 | 0 | 0 | 0 | 108 | |||||
| 453 | Y | 32.4 | Very low | 32.7 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 70.4 | 114.1 | 165.3 | -69.2 | -75 | 0 | 0 | 0 | 120.4 | ||||
| 454 | N | 35 | Very low | 32.9 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | 72.4 | 153.4 | 125.4 | -74.4 | 35.6 | 0 | 0 | 0 | 121.3 | |||||
| 455 | D | 31.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | -170.7 | 152.2 | -17.1 | -178.8 | 32.3 | 0 | 0 | 0 | 109.5 | ||||
| 456 | D | 32.3 | Very low | 33 | Very low | 132 Ų | 132 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 36.6 | 173 | 163.5 | -107 | -19.6 | 0 | 0 | 0 | 120.9 | ||||
| 457 | T | 34.6 | Very low | 32.9 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | cis | -147.4 | 169.7 | 11.5 | -14.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 458 | N | 31.8 | Very low | 33.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | trans | 85.3 | 118.3 | 156.6 | -63.5 | -20.3 | 0 | 0 | 0 | 118.1 | ||||
| 459 | Q | 36.3 | Very low | 33.6 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | cis | 89.5 | 135 | 44.3 | -77.5 | -173.7 | 8.3 | 0 | 0 | 113.4 | ||||
| 460 | E | 34.4 | Very low | 32.9 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -167 | -173.1 | -18.9 | -138.7 | -157.6 | 102.3 | 0 | 0 | 110.9 | ||||
| 461 | H | 34.9 | Very low | 32.9 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | 71.6 | 144.6 | 162.6 | -59 | -12.8 | 0 | 0 | 0 | 117.1 | ||||
| 462 | Q | 29.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | cis | -151.6 | 157.5 | -5 | -119.4 | 160.4 | 38.2 | 0 | 0 | 111.9 | ||||
| 463 | T | 28.3 | Very low | 32.9 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | -117.4 | -167.4 | 175.4 | 58.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 464 | P | 47.9 | Very low | 32.9 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | cis | -145 | 176.1 | 4.5 | 44 | -24.5 | 0 | 0 | 0 | 118.7 | ||||
| 465 | H | 29.7 | Very low | 32.9 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | 41.4 | 154.3 | 143.8 | -66.4 | -46.8 | 0 | 0 | 0 | 123.1 | ||||
| 466 | R | 28 | Very low | 32.9 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | cis | -138.7 | 133.9 | 14.2 | -77.5 | -176.9 | 173 | -177 | -4 | 108.9 | ||||
| 467 | T | 29.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | 55.6 | 148.5 | 77.7 | 58.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 468 | P | 43.3 | Very low | 32.9 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -143.7 | 161.4 | -31.1 | 36.6 | -18.7 | 0 | 0 | 0 | 116.2 | ||||
| 469 | Q | 29.3 | Very low | 33 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 159.6 | 143.7 | 122.5 | -90.9 | -175.5 | -11.4 | 0 | 0 | 117.7 | |||||
| 470 | H | 32.6 | Very low | 32.7 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 75.9 | 115 | 149.7 | -78 | -55.2 | 0 | 0 | 0 | 125.5 | ||||
| 471 | R | 29.6 | Very low | 32.6 | Very low | 236 Ų | 236 | 148.9 Ų | 148.9 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | 88.4 | 147 | 150 | -69.7 | -166.7 | -174.4 | -125 | 0.4 | 118.6 | ||||
| 472 | P | 32.6 | Very low | 33 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -114.3 | 171.7 | -143.6 | 17.8 | 5.3 | 0 | 0 | 0 | 115.2 | ||||
| 473 | A | 28 | Very low | 33.3 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 149.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 474 | Q | 31 | Very low | 33.5 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 133.8 | 152.6 | -65.8 | 173.6 | -15.7 | 0 | 0 | 109.2 | ||
| 475 | P | 36.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -83 | 158.8 | 163.9 | -11.4 | 29.4 | 0 | 0 | 0 | 112.3 | ||
| 476 | A | 29.9 | Very low | 32.7 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74 | 165.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 477 | Q | 30.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 158 | 165.8 | -58 | 174.1 | -78.4 | 0 | 0 | 112.4 | ||
| 478 | P | 36.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -105.8 | 141.3 | 144.4 | 34.4 | -26.2 | 0 | 0 | 0 | 111.6 | ||||
| 479 | N | 34.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -78.9 | 153.8 | 168.4 | -75.9 | -7.8 | 0 | 0 | 0 | 111.3 | ||||
| 480 | H | 30.6 | Very low | 33.4 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | -150 | 146.6 | 129.4 | -141.4 | -79.2 | 0 | 0 | 0 | 113.3 | |||||
| 481 | D | 31.7 | Very low | 33.6 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -92.2 | 170.8 | -177.4 | -113.6 | -1.9 | 0 | 0 | 0 | 112.9 | ||||
| 482 | P | 43 | Very low | 34.4 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | trans | -119 | 178.9 | -153.2 | 42.4 | -33.6 | 0 | 0 | 0 | 117.5 | ||||
| 483 | H | 36.5 | Very low | 35.7 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | trans | 74.2 | 125.6 | 171 | -65 | -76 | 0 | 0 | 0 | 118.9 | ||||
| 484 | E | 32.8 | Very low | 37.5 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | trans | 161.2 | 144.2 | 130.9 | -88.9 | -176.5 | -175.1 | 0 | 0 | 110.3 | K56 | K56-E484 WeakPolarHBondContact CE-OE1 3.45Å; K56-E484 IonicContact NZ-OE1 3.28Å; K56-E484 PolarHBondContact NZ-OE1 2.85Å; K56-E484 IonicContact NZ-OE2 2.74Å; K56-E484 PolarHBondContact NZ-OE2 3.39Å | ||
| 485 | F | 28.4 | Very low | 39.8 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 47% | 0.469 | 73% | 0.734 | S | S | . | * | cis | -166 | 135.6 | -21.3 | -155 | -89.5 | 0 | 0 | 0 | 111.1 | K52 D487 | K52-F485 HydrophobicContact CD-CE1 4.26Å; K52-F485 HydrophobicContact CD-CZ 3.68Å; K52-F485 HydrophobicContact CG-CE1 4.49Å; K52-F485 HydrophobicContact CG-CE2 4.48Å; K52-F485 HydrophobicContact CG-CZ 3.83Å; F485-D487 WeakPolarHBondContact CE1-OD1 3.43Å | ||
| 486 | D | 32 | Very low | 42.1 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | 166 | 129.5 | 146.3 | -89.3 | -7.3 | 0 | 0 | 0 | 106.5 | ||||
| 487 | D | 35.5 | Very low | 44.8 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 56% | 0.556 | 71% | 0.706 | S | S | * | * | 80 | 61 | 51.3 | -80.3 | 13.4 | 0 | 0 | 0 | 114.2 | K52 F485 | K52-D487 WeakPolarHBondContact CE-OD2 3.45Å; K52-D487 IonicContact NZ-OD1 2.59Å; K52-D487 PolarHBondContact NZ-OD1 2.7Å; K52-D487 IonicContact NZ-OD2 2.7Å; K52-D487 PolarHBondContact NZ-OD2 3.1Å; F485-D487 WeakPolarHBondContact CE1-OD1 3.43Å | |||
| 488 | E | 33.2 | Very low | 47.7 | Very low | 206 Ų | 206 | 129.9 Ų | 129.9 | 96% | 0.963 | 68% | 0.681 | S | S | * | * | trans | -128.4 | 158.6 | 148.6 | -121.7 | 164.7 | -155.9 | 0 | 0 | 109.1 | ||||
| 489 | F | 33.5 | Very low | 50.3 | Low | 181 Ų | 181 | 124.2 Ų | 124.2 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | trans | -130.9 | 135.5 | -160.2 | -174.4 | -85.8 | 0 | 0 | 0 | 110.4 | ||||
| 490 | D | 43.6 | Very low | 53.2 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 68% | 0.679 | 62% | 0.624 | S | S | * | * | trans | 56.3 | 108.6 | -175.9 | -63.5 | -17.4 | 0 | 0 | 0 | 116.7 | ||||
| 491 | D | 36.9 | Very low | 56.2 | Low | 167 Ų | 167 | 111.8 Ų | 111.8 | 89% | 0.893 | 58% | 0.582 | S | S | * | * | -163.8 | 152.8 | 118.6 | -104.6 | -26.3 | 0 | 0 | 0 | 109.9 | D493 | D491-D493 PolarHBondContact O-N 3.06Å; D491-D493 VanDerWaalsContact O-N 3.12Å | |||
| 492 | D | 46.2 | Very low | 59.2 | Low | 155 Ų | 155 | 108.2 Ų | 108.2 | 83% | 0.829 | 56% | 0.56 | S | S | * | * | trans | -70.9 | 100.9 | 173 | -90.9 | -57.8 | 0 | 0 | 0 | 109.5 | P494 | D492-P494 WeakPolarHBondContact O-CD 3.38Å; D492-P494 WeakPolarHBondContact O-CG 3.22Å | ||
| 493 | D | 59.5 | Low | 61.7 | Low | 157 Ų | 157 | 103.7 Ų | 103.7 | 84% | 0.84 | 53% | 0.53 | S | S | * | . | trans | -55.9 | 106.3 | 178.7 | -164.7 | 12.6 | 0 | 0 | 0 | 109.7 | D491 L495 | D491-D493 PolarHBondContact O-N 3.06Å; D491-D493 VanDerWaalsContact O-N 3.12Å; D493-L495 PolarHBondContact O-N 2.86Å | ||
| 494 | P | 66.3 | Low | 64.4 | Low | 82 Ų | 82 | 99.5 Ų | 99.5 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | trans | -66.8 | 123.9 | -154.7 | -24.7 | 34.1 | 0 | 0 | 0 | 112 | D492 | D492-P494 WeakPolarHBondContact O-CD 3.38Å; D492-P494 WeakPolarHBondContact O-CG 3.22Å | ||
| 495 | L | 77.8 | Confident | 67.2 | Low | 78 Ų | 78 | 99.3 Ų | 99.3 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | trans | -41.6 | 133.7 | -177.8 | -75.8 | 176.5 | 0 | 0 | 0 | 111.8 | D493 V497 I526 R538 | D493-L495 PolarHBondContact O-N 2.86Å; L495-V497 PolarHBondContact O-N 3.18Å; L495-I526 HydrophobicContact CB-CG2 3.46Å; L495-I526 VanDerWaalsContact CB-CG2 3.46Å; L495-I526 HydrophobicContact CD1-CG2 3.96Å; L495-I526 HydrophobicContact CG-CG2 4.38Å; L495-R538 PolarHBondContact O-NH1 2.95Å; L495-R538 PolarHBondContact O-NH2 3.2Å | ||
| 496 | P | 84.6 | Confident | 70.2 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | trans | -64.1 | 136.3 | -165.8 | 24.8 | -34.8 | 0 | 0 | 0 | 111.5 | I498 | P496-I498 PolarHBondContact O-N 3.22Š| ||
| 497 | V | 86.9 | Confident | 73.1 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | trans | -68.4 | 122.6 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | L495 G499 Y524 I525 I526 | L495-V497 PolarHBondContact O-N 3.18Å; V497-G499 WeakPolarHBondContact CG1-O 3.42Å; V497-Y524 HydrophobicContact CG1-CD1 3.95Å; V497-Y524 HydrophobicContact CG1-CG 4.26Å; V497-Y524 HydrophobicContact CG2-CD1 4.45Å; V497-Y524 HydrophobicContact CG2-CG 4.18Å; V497-I525 WeakPolarHBondContact CA-O 3.4Å; V497-I526 HydrophobicContact CG2-CD1 4.02Å | ||
| 498 | I | 91.6 | Very high | 75.6 | Confident | 59 Ų | 59 | 92.9 Ų | 92.9 | 30% | 0.303 | 48% | 0.481 | S | S | . | . | trans | -99.2 | -11.9 | 179.6 | 60.1 | 173.3 | 0 | 0 | 0 | 113 | P496 I525 E528 E557 | P496-I498 PolarHBondContact O-N 3.22Å; I498-I525 HydrophobicContact CD1-CG2 4.02Å; I498-I525 HydrophobicContact CG1-CB 4.18Å; I498-I525 HydrophobicContact CG1-CG2 3.82Å; I498-I525 WeakPolarHBondContact CG1-O 3.47Å; I498-I525 PolarHBondContact N-O 2.83Å; I498-E528 HydrophobicContact CD1-CG 3.91Å; I498-E557 PolarHBondContact O-N 3.49Å; I498-E557 VanDerWaalsContact O-N 3.09Å | ||
| 499 | G | 91.9 | Very high | 77.9 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -171 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V497 I525 T555 | V497-G499 WeakPolarHBondContact CG1-O 3.42Å; G499-I525 PolarHBondContact O-N 3.2Å; G499-T555 CarbonylContact C-O 3.58Å; G499-T555 VanDerWaalsContact CA-O 3.26Å; G499-T555 WeakPolarHBondContact CA-O 3.44Å |
| 500 | H | 93.8 | Very high | 79.7 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 33% | 0.333 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153.5 | 172.6 | 56.3 | -90.4 | 0 | 0 | 0 | 109.9 | L523 I525 T555 E557 | H500-L523 CarbonylContact C-O 3.46Å; H500-L523 WeakPolarHBondContact CA-O 3.29Å; H500-I525 WeakPolarHBondContact O-CD1 3.33Å; H500-T555 PolarHBondContact N-O 3.03Å; H500-T555 PolarHBondContact O-N 3.39Å; H500-T555 VanDerWaalsContact O-O 3.1Å; H500-E557 IonicContact ND1-OE1 3.5Å |
| 501 | C | 94.4 | Very high | 81.2 | Confident | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.007 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.4 | 172.1 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | V522 L523 I525 V552 E553 I554 | C501-V522 WeakPolarHBondContact O-CA 3.35Å; C501-L523 PolarHBondContact N-O 3.37Å; C501-L523 PolarHBondContact O-N 3.28Å; C501-I525 HydrophobicContact CB-CD1 4.03Å; C501-I525 HydrophobicContact CB-CG1 4.01Å; C501-V552 HydrophobicContact CB-CB 4.03Å; C501-V552 HydrophobicContact CB-CG2 4.47Å; C501-E553 CarbonylContact C-O 3.55Å; C501-E553 WeakPolarHBondContact CA-O 3.25Å; C501-E553 VanDerWaalsContact CB-O 3.24Å; C501-E553 WeakPolarHBondContact CB-O 3.22Å; C501-I554 HydrophobicContact CB-CG1 3.84Å |
| 502 | K | 94.9 | Very high | 82.9 | Confident | 74 Ų | 74 | 85.1 Ų | 85.1 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.7 | 173.7 | -164.3 | -164.4 | -169.3 | -144.7 | 0 | 109.1 | L504 D520 E521 V522 V552 E553 | K502-L504 PolarHBondContact O-N 3.47Å; K502-D520 WeakPolarHBondContact CE-OD1 3.41Å; K502-D520 IonicContact NZ-OD1 3.07Å; K502-D520 PolarHBondContact NZ-OD1 2.89Å; K502-D520 IonicContact NZ-OD2 2.8Å; K502-D520 PolarHBondContact NZ-OD2 3.14Å; K502-E521 CarbonylContact C-O 3.52Å; K502-E521 WeakPolarHBondContact CA-O 3.48Å; K502-V522 HydrophobicContact CG-CG2 4.28Å; K502-V552 CarbonylContact O-C 3.59Å; K502-V552 WeakPolarHBondContact O-CA 3.49Å; K502-E553 PolarHBondContact N-O 2.9Å; K502-E553 PolarHBondContact O-N 3.21Å |
| 503 | A | 94.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M517 A518 D520 E521 | A503-M517 HydrophobicContact CB-CE 4.39Å; A503-M517 HydrophobicContact CB-CG 4.3Å; A503-M517 HydrophobicContact CB-SD 3.74Å; A503-A518 WeakPolarHBondContact CB-O 3.46Å; A503-D520 WeakPolarHBondContact O-CA 3.38Å; A503-D520 PolarHBondContact O-N 3.41Å; A503-E521 HydrophobicContact CB-CB 4.34Å; A503-E521 PolarHBondContact N-O 3.32Å |
| 504 | L | 93.2 | Very high | 86 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -87.8 | -19.2 | 176.3 | -63.5 | 175.3 | 0 | 0 | 0 | 112.2 | K502 Y551 E553 | K502-L504 PolarHBondContact O-N 3.47Å; L504-Y551 PolarHBondContact N-O 2.89Å; L504-E553 HydrophobicContact CD1-CB 4.33Å; L504-E553 HydrophobicContact CD2-CB 4.1Å; L504-E553 HydrophobicContact CG-CB 4.26Å |
| 505 | Y | 92.3 | Very high | 87.2 | Confident | 133 Ų | 133 | 70 Ų | 70 | 52% | 0.522 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -148.9 | 152.1 | 178.2 | -53.1 | -65.5 | 0 | 0 | 0 | 109.3 | Y551 | Y505-Y551 HydrophobicContact CD2-CD1 4.41Å; Y505-Y551 HydrophobicContact CD2-CD2 4.15Å; Y505-Y551 HydrophobicContact CD2-CG 4.08Å; Y505-Y551 HydrophobicContact CG-CD2 4.42Å |
| 506 | S | 91.4 | Very high | 87.9 | Confident | 67 Ų | 67 | 69 Ų | 69 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | trans | -69.7 | 146.3 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | M517 | S506-M517 CarbonylContact C-O 3.36Å; S506-M517 VanDerWaalsContact CA-O 3.26Å; S506-M517 WeakPolarHBondContact CA-O 3.3Å | ||
| 507 | F | 93 | Very high | 88.4 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -143.3 | 120.1 | 178 | 167.5 | -104.1 | 0 | 0 | 0 | 109.6 | G509 T514 L515 T516 M517 W534 P548 Y551 | F507-G509 PolarHBondContact O-N 3.32Å; F507-T514 HydrophobicContact CZ-CG2 4.42Å; F507-L515 VanDerWaalsContact CD1-O 3.31Å; F507-L515 WeakPolarHBondContact CD1-O 3.47Å; F507-T516 CarbonylContact O-C 3.54Å; F507-T516 VanDerWaalsContact O-CA 3.27Å; F507-T516 WeakPolarHBondContact O-CA 3.45Å; F507-M517 HydrophobicContact CB-CE 3.82Å; F507-M517 HydrophobicContact CB-CG 4.02Å; F507-M517 PolarHBondContact N-O 2.81Å; F507-M517 PolarHBondContact O-N 2.75Å; F507-W534 HydrophobicContact CE1-CZ3 4.43Å; F507-W534 HydrophobicContact CZ-CH2 4.11Å; F507-W534 AromaticContact CZ-CZ3 3.9Å; F507-W534 HydrophobicContact CZ-CZ3 3.9Å; F507-P548 HydrophobicContact CD2-CG 3.92Å; F507-P548 HydrophobicContact CE1-CG 4.49Å; F507-P548 HydrophobicContact CE2-CG 3.86Å; F507-P548 HydrophobicContact CG-CG 4.27Å; F507-P548 HydrophobicContact CZ-CG 4.17Å; F507-Y551 HydrophobicContact CB-CD2 4.27Å |
| 508 | D | 87.6 | Confident | 88.7 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | trans | -78.3 | -13.8 | -165.6 | -64.3 | -48.5 | 0 | 0 | 0 | 115.5 | T516 | D508-T516 PolarHBondContact O-OG1 3.48Š| ||
| 509 | G | 81.6 | Confident | 88.8 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | 67.6 | 69.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F507 T514 | F507-G509 PolarHBondContact O-N 3.32Å; G509-T514 VanDerWaalsContact C-OG1 3.27Å; G509-T514 WeakPolarHBondContact CA-OG1 3.33Å | ||
| 510 | Q | 71.6 | Confident | 88.8 | Confident | 171 Ų | 171 | 71.4 Ų | 71.4 | 80% | 0.799 | 38% | 0.38 | S | S | * | . | trans | -86.5 | -8.4 | -172.1 | -65.2 | -175.6 | 2.3 | 0 | 0 | 115.6 | T514 | Q510-T514 PolarHBondContact N-OG1 2.95Š| ||
| 511 | N | 75.3 | Confident | 88.8 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -119.4 | 151.7 | -175.7 | -68.4 | -31.6 | 0 | 0 | 0 | 111.8 | G513 T514 | N511-G513 PolarHBondContact O-N 3.3Å; N511-T514 HydrophobicContact CB-CG2 4.01Å; N511-T514 PolarHBondContact N-OG1 2.77Å; N511-T514 VanDerWaalsContact N-OG1 3.1Å; N511-T514 PolarHBondContact O-N 2.61Å; N511-T514 PolarHBondContact O-OG1 3.11Å |
| 512 | E | 72.9 | Confident | 88.8 | Confident | 208 Ų | 208 | 73.8 Ų | 73.8 | 97% | 0.972 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 124.9 | 172.2 | -169.8 | 171.9 | -169.3 | 0 | 0 | 110.6 | ||
| 513 | G | 81.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -2.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N511 G545 Y546 | N511-G513 PolarHBondContact O-N 3.3Å; G513-G545 CarbonylContact O-C 3.49Å; G513-G545 VanDerWaalsContact O-CA 3.31Å; G513-G545 WeakPolarHBondContact O-CA 3.43Å; G513-Y546 WeakPolarHBondContact O-CD2 3.48Å; G513-Y546 PolarHBondContact O-N 3.47Å |
| 514 | T | 88.6 | Confident | 88.8 | Confident | 28 Ų | 28 | 74.7 Ų | 74.7 | 17% | 0.172 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -90.4 | 142.2 | 170.5 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | F507 G509 Q510 N511 W534 Y546 | F507-T514 HydrophobicContact CZ-CG2 4.42Å; G509-T514 VanDerWaalsContact C-OG1 3.27Å; G509-T514 WeakPolarHBondContact CA-OG1 3.33Å; Q510-T514 PolarHBondContact N-OG1 2.95Å; N511-T514 HydrophobicContact CB-CG2 4.01Å; N511-T514 PolarHBondContact N-OG1 2.77Å; N511-T514 VanDerWaalsContact N-OG1 3.1Å; N511-T514 PolarHBondContact O-N 2.61Å; N511-T514 PolarHBondContact O-OG1 3.11Å; T514-W534 HydrophobicContact CG2-CH2 4.44Å; T514-W534 HydrophobicContact CG2-CZ3 4.15Å; T514-Y546 WeakPolarHBondContact CA-O 3.4Å |
| 515 | L | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -100 | 119.6 | -177.1 | -179.2 | 65.2 | 0 | 0 | 0 | 110.6 | F507 L523 A537 K539 E543 Y546 V547 | F507-L515 VanDerWaalsContact CD1-O 3.31Å; F507-L515 WeakPolarHBondContact CD1-O 3.47Å; L515-L523 HydrophobicContact CD2-CD1 4.22Å; L515-L523 HydrophobicContact CD2-CD2 4.45Å; L515-A537 HydrophobicContact CD2-CB 4.07Å; L515-K539 HydrophobicContact CD1-CD 4.21Å; L515-K539 HydrophobicContact CD1-CG 4.25Å; L515-K539 HydrophobicContact CD2-CG 4.35Å; L515-E543 HydrophobicContact CD1-CB 4.17Å; L515-E543 HydrophobicContact CD1-CG 3.63Å; L515-Y546 PolarHBondContact N-O 3.03Å; L515-V547 HydrophobicContact CB-CG1 3.91Å; L515-V547 HydrophobicContact CD2-CG1 4.24Å; L515-V547 HydrophobicContact CG-CG1 4.37Å |
| 516 | T | 93.1 | Very high | 88.9 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 36% | 0.356 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 134.7 | 170.9 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | F507 D508 K539 | F507-T516 CarbonylContact O-C 3.54Å; F507-T516 VanDerWaalsContact O-CA 3.27Å; F507-T516 WeakPolarHBondContact O-CA 3.45Å; D508-T516 PolarHBondContact O-OG1 3.48Å; T516-K539 WeakPolarHBondContact O-CE 3.46Å; T516-K539 PolarHBondContact O-NZ 3.1Å |
| 517 | M | 94.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -143.1 | 150.6 | 174.4 | 62.8 | 179.1 | -175.9 | 0 | 0 | 112.5 | A503 S506 F507 E521 L523 V547 Y551 V552 | A503-M517 HydrophobicContact CB-CE 4.39Å; A503-M517 HydrophobicContact CB-CG 4.3Å; A503-M517 HydrophobicContact CB-SD 3.74Å; S506-M517 CarbonylContact C-O 3.36Å; S506-M517 VanDerWaalsContact CA-O 3.26Å; S506-M517 WeakPolarHBondContact CA-O 3.3Å; F507-M517 HydrophobicContact CB-CE 3.82Å; F507-M517 HydrophobicContact CB-CG 4.02Å; F507-M517 PolarHBondContact N-O 2.81Å; F507-M517 PolarHBondContact O-N 2.75Å; M517-E521 VanDerWaalsContact CA-OE2 3.29Å; M517-E521 WeakPolarHBondContact CA-OE2 3.45Å; M517-L523 HydrophobicContact CB-CD1 4.17Å; M517-L523 HydrophobicContact SD-CD1 3.91Å; M517-V547 HydrophobicContact CE-CB 4.09Å; M517-V547 HydrophobicContact CE-CG1 4.39Å; M517-V547 HydrophobicContact CG-CG1 4.41Å; M517-V547 HydrophobicContact SD-CB 3.97Å; M517-V547 HydrophobicContact SD-CG1 3.72Å; M517-V547 HydrophobicContact SD-CG2 4.49Å; M517-Y551 HydrophobicContact CE-CD2 4.47Å; M517-V552 HydrophobicContact CE-CG1 3.94Å; M517-V552 HydrophobicContact SD-CG1 3.84Å |
| 518 | A | 93.2 | Very high | 88.7 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | trans | -92.8 | 157.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A503 E521 | A503-A518 WeakPolarHBondContact CB-O 3.46Å; A518-E521 HydrophobicContact CB-CB 4.4Å; A518-E521 PolarHBondContact N-OE2 2.8Å; A518-E521 WeakPolarHBondContact O-CB 3.18Å; A518-E521 PolarHBondContact O-N 3.12Å | ||
| 519 | E | 92.9 | Very high | 88.8 | Confident | 124 Ų | 124 | 64 Ų | 64 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 142.1 | 168.5 | -171.9 | 173.8 | 162.7 | 0 | 0 | 110.1 | E521 | E519-E521 PolarHBondContact O-N 3.26Š|
| 520 | D | 92.5 | Very high | 89 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 0.9 | -172.7 | -82.5 | 7.4 | 0 | 0 | 0 | 117 | K502 A503 | K502-D520 WeakPolarHBondContact CE-OD1 3.41Å; K502-D520 IonicContact NZ-OD1 3.07Å; K502-D520 PolarHBondContact NZ-OD1 2.89Å; K502-D520 IonicContact NZ-OD2 2.8Å; K502-D520 PolarHBondContact NZ-OD2 3.14Å; A503-D520 WeakPolarHBondContact O-CA 3.38Å; A503-D520 PolarHBondContact O-N 3.41Å |
| 521 | E | 94.8 | Very high | 89.5 | Confident | 56 Ų | 56 | 66 Ų | 66 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | trans | -64.7 | 140.8 | 175.8 | -169.7 | 173.1 | 175.2 | 0 | 0 | 112.3 | K502 A503 M517 A518 E519 L523 K539 | K502-E521 CarbonylContact C-O 3.52Å; K502-E521 WeakPolarHBondContact CA-O 3.48Å; A503-E521 HydrophobicContact CB-CB 4.34Å; A503-E521 PolarHBondContact N-O 3.32Å; M517-E521 VanDerWaalsContact CA-OE2 3.29Å; M517-E521 WeakPolarHBondContact CA-OE2 3.45Å; A518-E521 HydrophobicContact CB-CB 4.4Å; A518-E521 PolarHBondContact N-OE2 2.8Å; A518-E521 WeakPolarHBondContact O-CB 3.18Å; A518-E521 PolarHBondContact O-N 3.12Å; E519-E521 PolarHBondContact O-N 3.26Å; E521-L523 HydrophobicContact CG-CD2 4.06Å; E521-K539 WeakPolarHBondContact OE1-CE 3.48Å | ||
| 522 | V | 94.4 | Very high | 89.8 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.4 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | C501 K502 | C501-V522 WeakPolarHBondContact O-CA 3.35Å; K502-V522 HydrophobicContact CG-CG2 4.28Å |
| 523 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 152.5 | -176.5 | -53.2 | 174.2 | 0 | 0 | 0 | 111.2 | H500 C501 L515 M517 E521 A537 K539 V547 | H500-L523 CarbonylContact C-O 3.46Å; H500-L523 WeakPolarHBondContact CA-O 3.29Å; C501-L523 PolarHBondContact N-O 3.37Å; C501-L523 PolarHBondContact O-N 3.28Å; L515-L523 HydrophobicContact CD2-CD1 4.22Å; L515-L523 HydrophobicContact CD2-CD2 4.45Å; M517-L523 HydrophobicContact CB-CD1 4.17Å; M517-L523 HydrophobicContact SD-CD1 3.91Å; E521-L523 HydrophobicContact CG-CD2 4.06Å; L523-A537 HydrophobicContact CB-CB 4.09Å; L523-A537 HydrophobicContact CD1-CB 4.08Å; L523-K539 HydrophobicContact CD2-CB 4.39Å; L523-K539 HydrophobicContact CD2-CG 3.52Å; L523-V547 HydrophobicContact CD1-CG1 4.2Å |
| 524 | Y | 94.9 | Very high | 91 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 130.9 | 172.4 | -60 | -65 | 0 | 0 | 0 | 110.4 | V497 A537 R538 Q540 | V497-Y524 HydrophobicContact CG1-CD1 3.95Å; V497-Y524 HydrophobicContact CG1-CG 4.26Å; V497-Y524 HydrophobicContact CG2-CD1 4.45Å; V497-Y524 HydrophobicContact CG2-CG 4.18Å; Y524-A537 CarbonylContact O-C 3.53Å; Y524-A537 WeakPolarHBondContact O-CA 3.22Å; Y524-R538 PolarHBondContact N-O 3.19Å; Y524-R538 PolarHBondContact O-N 2.95Å; Y524-Q540 HydrophobicContact CE2-CG 3.94Å |
| 525 | I | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129.1 | 176.9 | -53.5 | 171.7 | 0 | 0 | 0 | 108.7 | V497 I498 G499 H500 C501 T535 I554 | V497-I525 WeakPolarHBondContact CA-O 3.4Å; I498-I525 HydrophobicContact CD1-CG2 4.02Å; I498-I525 HydrophobicContact CG1-CB 4.18Å; I498-I525 HydrophobicContact CG1-CG2 3.82Å; I498-I525 WeakPolarHBondContact CG1-O 3.47Å; I498-I525 PolarHBondContact N-O 2.83Å; G499-I525 PolarHBondContact O-N 3.2Å; H500-I525 WeakPolarHBondContact O-CD1 3.33Å; C501-I525 HydrophobicContact CB-CD1 4.03Å; C501-I525 HydrophobicContact CB-CG1 4.01Å; I525-T535 HydrophobicContact CG2-CG2 3.93Å; I525-I554 HydrophobicContact CD1-CB 4.09Å; I525-I554 HydrophobicContact CD1-CG1 3.85Å; I525-I554 HydrophobicContact CD1-CG2 3.57Å |
| 526 | I | 93.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -40.8 | 177.9 | -51 | -50.9 | 0 | 0 | 0 | 110.5 | L495 V497 R536 R538 | L495-I526 HydrophobicContact CB-CG2 3.46Å; L495-I526 VanDerWaalsContact CB-CG2 3.46Å; L495-I526 HydrophobicContact CD1-CG2 3.96Å; L495-I526 HydrophobicContact CG-CG2 4.38Å; V497-I526 HydrophobicContact CG2-CD1 4.02Å; I526-R536 HydrophobicContact CB-CB 4.5Å; I526-R536 HydrophobicContact CB-CG 4.19Å; I526-R536 PolarHBondContact N-O 2.66Å; I526-R538 HydrophobicContact CD1-CB 3.83Å; I526-R538 VanDerWaalsContact CD1-CZ 3.41Å; I526-R538 HydrophobicContact CG1-CB 3.88Å |
| 527 | E | 91.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.3 | 172.6 | -58.6 | -177.5 | -114.6 | 0 | 0 | 110.8 | K530 R536 | E527-K530 IonicContact OE2-NZ 2.7Å; E527-K530 PolarHBondContact OE2-NZ 2.96Å; E527-R536 HydrophobicContact CB-CB 3.89Å; E527-R536 HydrophobicContact CG-CB 4.38Å; E527-R536 PolarHBondContact N-O 3.1Å; E527-R536 PolarHBondContact O-N 2.78Å; E527-R536 VanDerWaalsContact OE1-CD 3.28Å; E527-R536 WeakPolarHBondContact OE1-CD 3.32Å; E527-R536 IonicContact OE1-CZ 2.71Å; E527-R536 IonicContact OE1-NE 3.6Å; E527-R536 IonicContact OE1-NH1 3.58Å; E527-R536 PolarHBondContact OE1-NH1 3.26Å |
| 528 | E | 89.1 | Confident | 91.4 | Very high | 88 Ų | 88 | 58.9 Ų | 58.9 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | trans | -68.8 | 150.8 | 171 | -75.2 | 170.9 | -129.5 | 0 | 0 | 111.8 | I498 I556 | I498-E528 HydrophobicContact CD1-CG 3.91Å; E528-I556 HydrophobicContact CG-CD1 4.01Å; E528-I556 HydrophobicContact CG-CG1 4.33Å; E528-I556 WeakPolarHBondContact OE1-CD1 3.39Å | ||
| 529 | D | 90.1 | Very high | 91.3 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | trans | -54.9 | 130.4 | 169.4 | -170.6 | -27.1 | 0 | 0 | 0 | 111.6 | G531 D532 G533 W534 T549 | D529-G531 WeakPolarHBondContact OD1-CA 3.39Å; D529-G531 PolarHBondContact OD1-N 3.04Å; D529-D532 PolarHBondContact OD1-N 2.86Å; D529-G533 PolarHBondContact OD1-N 3.05Å; D529-G533 VanDerWaalsContact OD2-C 3.29Å; D529-G533 WeakPolarHBondContact OD2-CA 3.42Å; D529-G533 PolarHBondContact OD2-N 2.66Å; D529-W534 WeakPolarHBondContact CA-O 3.35Å; D529-W534 PolarHBondContact OD2-N 3.5Å; D529-T549 HydrophobicContact CB-CG2 3.89Å; D529-T549 WeakPolarHBondContact CB-OG1 3.35Å; D529-T549 VanDerWaalsContact CG-OG1 3.32Å; D529-T549 WeakPolarHBondContact OD2-CB 3.34Å; D529-T549 WeakPolarHBondContact OD2-CG2 3.47Å; D529-T549 PolarHBondContact OD2-OG1 3.08Å | ||
| 530 | K | 86.6 | Confident | 91 | Very high | 156 Ų | 156 | 59 Ų | 59 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | trans | -103.7 | 14.7 | -177.2 | -68.9 | 157.4 | -162.1 | 162 | 0 | 112.5 | E527 D532 | E527-K530 IonicContact OE2-NZ 2.7Å; E527-K530 PolarHBondContact OE2-NZ 2.96Å; K530-D532 PolarHBondContact N-OD1 2.73Å | ||
| 531 | G | 80.8 | Confident | 90.7 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 78% | 0.784 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 105.2 | 11.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D529 | D529-G531 WeakPolarHBondContact OD1-CA 3.39Å; D529-G531 PolarHBondContact OD1-N 3.04Å |
| 532 | D | 81.8 | Confident | 90.2 | Very high | 104 Ų | 104 | 58.4 Ų | 58.4 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -105.4 | -7.2 | -179.2 | 61.9 | -44.4 | 0 | 0 | 0 | 113.9 | D529 K530 | D529-D532 PolarHBondContact OD1-N 2.86Å; K530-D532 PolarHBondContact N-OD1 2.73Å |
| 533 | G | 88.1 | Confident | 89.9 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 91.8 | 7.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D529 T549 | D529-G533 PolarHBondContact OD1-N 3.05Å; D529-G533 VanDerWaalsContact OD2-C 3.29Å; D529-G533 WeakPolarHBondContact OD2-CA 3.42Å; D529-G533 PolarHBondContact OD2-N 2.66Å; G533-T549 PolarHBondContact O-N 3.35Å; G533-T549 PolarHBondContact O-OG1 3.03Å |
| 534 | W | 93.4 | Very high | 89.8 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.8 | -176.3 | -63.9 | 92.1 | 0 | 0 | 0 | 111.7 | F507 T514 D529 Y546 V547 P548 T549 | F507-W534 HydrophobicContact CE1-CZ3 4.43Å; F507-W534 HydrophobicContact CZ-CH2 4.11Å; F507-W534 AromaticContact CZ-CZ3 3.9Å; F507-W534 HydrophobicContact CZ-CZ3 3.9Å; T514-W534 HydrophobicContact CG2-CH2 4.44Å; T514-W534 HydrophobicContact CG2-CZ3 4.15Å; D529-W534 WeakPolarHBondContact CA-O 3.35Å; D529-W534 PolarHBondContact OD2-N 3.5Å; W534-Y546 HydrophobicContact CB-CD1 4.05Å; W534-V547 WeakPolarHBondContact CA-O 3.33Å; W534-P548 HydrophobicContact CE3-CG 4.4Å; W534-P548 HydrophobicContact CH2-CG 4.15Å; W534-P548 HydrophobicContact CZ3-CG 3.81Å; W534-T549 VanDerWaalsContact C-OG1 3.23Å; W534-T549 WeakPolarHBondContact CA-OG1 3.5Å; W534-T549 PolarHBondContact N-OG1 3.21Å |
| 535 | T | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.7 | 174.3 | -64.4 | 0 | 0 | 0 | 0 | 108.8 | I525 Y546 V547 T549 I554 | I525-T535 HydrophobicContact CG2-CG2 3.93Å; T535-Y546 WeakPolarHBondContact O-CA 3.36Å; T535-V547 PolarHBondContact N-O 2.92Å; T535-V547 PolarHBondContact O-N 3.42Å; T535-T549 PolarHBondContact N-OG1 3.15Å; T535-T549 WeakPolarHBondContact OG1-CG2 3.25Å; T535-T549 PolarHBondContact OG1-OG1 3.38Å; T535-I554 HydrophobicContact CG2-CD1 4.11Å |
| 536 | R | 94.1 | Very high | 89.6 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.5 | 174.3 | -171.2 | -176.9 | 173.2 | 166 | 1.9 | 109.3 | I526 E527 E544 Y546 | I526-R536 HydrophobicContact CB-CB 4.5Å; I526-R536 HydrophobicContact CB-CG 4.19Å; I526-R536 PolarHBondContact N-O 2.66Å; E527-R536 HydrophobicContact CB-CB 3.89Å; E527-R536 HydrophobicContact CG-CB 4.38Å; E527-R536 PolarHBondContact N-O 3.1Å; E527-R536 PolarHBondContact O-N 2.78Å; E527-R536 VanDerWaalsContact OE1-CD 3.28Å; E527-R536 WeakPolarHBondContact OE1-CD 3.32Å; E527-R536 IonicContact OE1-CZ 2.71Å; E527-R536 IonicContact OE1-NE 3.6Å; E527-R536 IonicContact OE1-NH1 3.58Å; E527-R536 PolarHBondContact OE1-NH1 3.26Å; R536-E544 IonicContact CZ-OE2 3.79Å; R536-E544 IonicContact NE-OE2 2.94Å; R536-E544 PolarHBondContact NE-OE2 3.3Å; R536-E544 IonicContact NH2-OE2 3.74Å; R536-E544 PolarHBondContact NH2-OE2 2.91Å; R536-Y546 HydrophobicContact CB-CD1 4.04Å; R536-Y546 HydrophobicContact CB-CE1 3.7Å; R536-Y546 HydrophobicContact CG-CE1 4.24Å |
| 537 | A | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L515 L523 Y524 E544 G545 V547 | L515-A537 HydrophobicContact CD2-CB 4.07Å; L523-A537 HydrophobicContact CB-CB 4.09Å; L523-A537 HydrophobicContact CD1-CB 4.08Å; Y524-A537 CarbonylContact O-C 3.53Å; Y524-A537 WeakPolarHBondContact O-CA 3.22Å; A537-E544 WeakPolarHBondContact O-CA 3.41Å; A537-G545 PolarHBondContact N-O 3.01Å; A537-G545 PolarHBondContact O-N 2.8Å; A537-V547 HydrophobicContact CB-CG2 4.26Å |
| 538 | R | 94.2 | Very high | 89.8 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.8 | 174.7 | -168.6 | -175.4 | -62 | 132.3 | 3.6 | 109.9 | L495 Y524 I526 E543 E544 | L495-R538 PolarHBondContact O-NH1 2.95Å; L495-R538 PolarHBondContact O-NH2 3.2Å; Y524-R538 PolarHBondContact N-O 3.19Å; Y524-R538 PolarHBondContact O-N 2.95Å; I526-R538 HydrophobicContact CD1-CB 3.83Å; I526-R538 VanDerWaalsContact CD1-CZ 3.41Å; I526-R538 HydrophobicContact CG1-CB 3.88Å; R538-E543 CarbonylContact C-O 3.53Å; R538-E543 VanDerWaalsContact CA-O 3.31Å; R538-E543 WeakPolarHBondContact CA-O 3.44Å; R538-E544 HydrophobicContact CB-CG 3.82Å; R538-E544 HydrophobicContact CG-CG 3.68Å; R538-E544 IonicContact CZ-OE1 3.81Å; R538-E544 IonicContact NE-OE1 2.66Å; R538-E544 PolarHBondContact NE-OE1 3.22Å; R538-E544 IonicContact NH2-OE1 2.68Å; R538-E544 PolarHBondContact NH2-OE1 2.94Å |
| 539 | K | 92.6 | Very high | 90 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | trans | -73.9 | 165 | 171 | -80 | -178.7 | -172.9 | 155.4 | 0 | 112.3 | L515 T516 E521 L523 S541 G542 E543 | L515-K539 HydrophobicContact CD1-CD 4.21Å; L515-K539 HydrophobicContact CD1-CG 4.25Å; L515-K539 HydrophobicContact CD2-CG 4.35Å; T516-K539 WeakPolarHBondContact O-CE 3.46Å; T516-K539 PolarHBondContact O-NZ 3.1Å; E521-K539 WeakPolarHBondContact OE1-CE 3.48Å; L523-K539 HydrophobicContact CD2-CB 4.39Å; L523-K539 HydrophobicContact CD2-CG 3.52Å; K539-S541 WeakPolarHBondContact CB-OG 3.41Å; K539-S541 PolarHBondContact O-N 3.47Å; K539-G542 PolarHBondContact O-N 3.01Å; K539-E543 HydrophobicContact CB-CB 4.39Å; K539-E543 HydrophobicContact CD-CB 4.34Å; K539-E543 WeakPolarHBondContact CD-OE2 3.43Å; K539-E543 WeakPolarHBondContact CE-OE2 3.48Å; K539-E543 PolarHBondContact N-O 2.85Å; K539-E543 IonicContact NZ-OE2 2.71Å; K539-E543 PolarHBondContact NZ-OE2 3.37Å | ||
| 540 | Q | 86.4 | Confident | 90.1 | Very high | 150 Ų | 150 | 59.6 Ų | 59.6 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.6 | 166 | -60.9 | 178.2 | 21.2 | 0 | 0 | 113 | Y524 G542 | Y524-Q540 HydrophobicContact CE2-CG 3.94Å; Q540-G542 VanDerWaalsContact C-N 3.3Å |
| 541 | S | 85.1 | Confident | 90.5 | Very high | 91 Ų | 91 | 56.7 Ų | 56.7 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.7 | 172.1 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | K539 E543 | K539-S541 WeakPolarHBondContact CB-OG 3.41Å; K539-S541 PolarHBondContact O-N 3.47Å; S541-E543 VanDerWaalsContact C-N 3.29Å; S541-E543 PolarHBondContact O-N 3.31Å |
| 542 | G | 84.1 | Confident | 91.1 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 85.4 | -10.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | K539 Q540 E544 | K539-G542 PolarHBondContact O-N 3.01Å; Q540-G542 VanDerWaalsContact C-N 3.3Å; G542-E544 PolarHBondContact O-N 2.84Å |
| 543 | E | 88.4 | Confident | 91.7 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | trans | -63 | 129.3 | 176.8 | -169.5 | -174.9 | -159.8 | 0 | 0 | 111.2 | L515 R538 K539 S541 | L515-E543 HydrophobicContact CD1-CB 4.17Å; L515-E543 HydrophobicContact CD1-CG 3.63Å; R538-E543 CarbonylContact C-O 3.53Å; R538-E543 VanDerWaalsContact CA-O 3.31Å; R538-E543 WeakPolarHBondContact CA-O 3.44Å; K539-E543 HydrophobicContact CB-CB 4.39Å; K539-E543 HydrophobicContact CD-CB 4.34Å; K539-E543 WeakPolarHBondContact CD-OE2 3.43Å; K539-E543 WeakPolarHBondContact CE-OE2 3.48Å; K539-E543 PolarHBondContact N-O 2.85Å; K539-E543 IonicContact NZ-OE2 2.71Å; K539-E543 PolarHBondContact NZ-OE2 3.37Å; S541-E543 VanDerWaalsContact C-N 3.29Å; S541-E543 PolarHBondContact O-N 3.31Å | ||
| 544 | E | 92 | Very high | 91.9 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.6 | 178.6 | -81.5 | -164.9 | -149.3 | 0 | 0 | 113.1 | R536 A537 R538 G542 | R536-E544 IonicContact CZ-OE2 3.79Å; R536-E544 IonicContact NE-OE2 2.94Å; R536-E544 PolarHBondContact NE-OE2 3.3Å; R536-E544 IonicContact NH2-OE2 3.74Å; R536-E544 PolarHBondContact NH2-OE2 2.91Å; A537-E544 WeakPolarHBondContact O-CA 3.41Å; R538-E544 HydrophobicContact CB-CG 3.82Å; R538-E544 HydrophobicContact CG-CG 3.68Å; R538-E544 IonicContact CZ-OE1 3.81Å; R538-E544 IonicContact NE-OE1 2.66Å; R538-E544 PolarHBondContact NE-OE1 3.22Å; R538-E544 IonicContact NH2-OE1 2.68Å; R538-E544 PolarHBondContact NH2-OE1 2.94Å; G542-E544 PolarHBondContact O-N 2.84Å |
| 545 | G | 91.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -171.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G513 A537 | G513-G545 CarbonylContact O-C 3.49Å; G513-G545 VanDerWaalsContact O-CA 3.31Å; G513-G545 WeakPolarHBondContact O-CA 3.43Å; A537-G545 PolarHBondContact N-O 3.01Å; A537-G545 PolarHBondContact O-N 2.8Å |
| 546 | Y | 94.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.2 | 179.4 | -67.9 | -86.3 | 0 | 0 | 0 | 112 | G513 T514 L515 W534 T535 R536 | G513-Y546 WeakPolarHBondContact O-CD2 3.48Å; G513-Y546 PolarHBondContact O-N 3.47Å; T514-Y546 WeakPolarHBondContact CA-O 3.4Å; L515-Y546 PolarHBondContact N-O 3.03Å; W534-Y546 HydrophobicContact CB-CD1 4.05Å; T535-Y546 WeakPolarHBondContact O-CA 3.36Å; R536-Y546 HydrophobicContact CB-CD1 4.04Å; R536-Y546 HydrophobicContact CB-CE1 3.7Å; R536-Y546 HydrophobicContact CG-CE1 4.24Å |
| 547 | V | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150 | 171.5 | -60.5 | 0 | 0 | 0 | 0 | 110 | L515 M517 L523 W534 T535 A537 T549 V552 | L515-V547 HydrophobicContact CB-CG1 3.91Å; L515-V547 HydrophobicContact CD2-CG1 4.24Å; L515-V547 HydrophobicContact CG-CG1 4.37Å; M517-V547 HydrophobicContact CE-CB 4.09Å; M517-V547 HydrophobicContact CE-CG1 4.39Å; M517-V547 HydrophobicContact CG-CG1 4.41Å; M517-V547 HydrophobicContact SD-CB 3.97Å; M517-V547 HydrophobicContact SD-CG1 3.72Å; M517-V547 HydrophobicContact SD-CG2 4.49Å; L523-V547 HydrophobicContact CD1-CG1 4.2Å; W534-V547 WeakPolarHBondContact CA-O 3.33Å; T535-V547 PolarHBondContact N-O 2.92Å; T535-V547 PolarHBondContact O-N 3.42Å; A537-V547 HydrophobicContact CB-CG2 4.26Å; V547-T549 PolarHBondContact O-N 3.44Å; V547-V552 HydrophobicContact CG2-CG1 3.97Å; V547-V552 HydrophobicContact CG2-CG2 4.37Å |
| 548 | P | 93.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.4 | 175.8 | -18 | 30.7 | 0 | 0 | 0 | 110.5 | F507 W534 S550 Y551 | F507-P548 HydrophobicContact CD2-CG 3.92Å; F507-P548 HydrophobicContact CE1-CG 4.49Å; F507-P548 HydrophobicContact CE2-CG 3.86Å; F507-P548 HydrophobicContact CG-CG 4.27Å; F507-P548 HydrophobicContact CZ-CG 4.17Å; W534-P548 HydrophobicContact CE3-CG 4.4Å; W534-P548 HydrophobicContact CH2-CG 4.15Å; W534-P548 HydrophobicContact CZ3-CG 3.81Å; P548-S550 PolarHBondContact O-N 2.91Å; P548-S550 VanDerWaalsContact O-N 3.17Å; P548-Y551 HydrophobicContact CB-CD1 3.88Å; P548-Y551 HydrophobicContact CB-CG 4.09Å; P548-Y551 HydrophobicContact CG-CD1 4.4Å; P548-Y551 HydrophobicContact CG-CG 4.29Å; P548-Y551 WeakPolarHBondContact O-CB 3.42Å; P548-Y551 PolarHBondContact O-N 3.03Å |
| 549 | T | 93.6 | Very high | 86.9 | Confident | 30 Ų | 30 | 76 Ų | 76 | 18% | 0.184 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -60.3 | -31 | -176.6 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | D529 G533 W534 T535 V547 Y551 V552 I554 | D529-T549 HydrophobicContact CB-CG2 3.89Å; D529-T549 WeakPolarHBondContact CB-OG1 3.35Å; D529-T549 VanDerWaalsContact CG-OG1 3.32Å; D529-T549 WeakPolarHBondContact OD2-CB 3.34Å; D529-T549 WeakPolarHBondContact OD2-CG2 3.47Å; D529-T549 PolarHBondContact OD2-OG1 3.08Å; G533-T549 PolarHBondContact O-N 3.35Å; G533-T549 PolarHBondContact O-OG1 3.03Å; W534-T549 VanDerWaalsContact C-OG1 3.23Å; W534-T549 WeakPolarHBondContact CA-OG1 3.5Å; W534-T549 PolarHBondContact N-OG1 3.21Å; T535-T549 PolarHBondContact N-OG1 3.15Å; T535-T549 WeakPolarHBondContact OG1-CG2 3.25Å; T535-T549 PolarHBondContact OG1-OG1 3.38Å; V547-T549 PolarHBondContact O-N 3.44Å; T549-Y551 PolarHBondContact O-N 3.14Å; T549-V552 WeakPolarHBondContact O-CG2 3.24Å; T549-V552 PolarHBondContact O-N 3.3Å; T549-I554 HydrophobicContact CG2-CD1 3.92Å |
| 550 | S | 92.9 | Very high | 84.3 | Confident | 92 Ų | 92 | 79.9 Ų | 79.9 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -74 | -5.7 | 176.5 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | P548 | P548-S550 PolarHBondContact O-N 2.91Å; P548-S550 VanDerWaalsContact O-N 3.17Å |
| 551 | Y | 94.5 | Very high | 82 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -103.4 | 2.8 | 178.4 | -77.4 | 44.9 | 0 | 0 | 0 | 112 | L504 Y505 F507 M517 P548 T549 | L504-Y551 PolarHBondContact N-O 2.89Å; Y505-Y551 HydrophobicContact CD2-CD1 4.41Å; Y505-Y551 HydrophobicContact CD2-CD2 4.15Å; Y505-Y551 HydrophobicContact CD2-CG 4.08Å; Y505-Y551 HydrophobicContact CG-CD2 4.42Å; F507-Y551 HydrophobicContact CB-CD2 4.27Å; M517-Y551 HydrophobicContact CE-CD2 4.47Å; P548-Y551 HydrophobicContact CB-CD1 3.88Å; P548-Y551 HydrophobicContact CB-CG 4.09Å; P548-Y551 HydrophobicContact CG-CD1 4.4Å; P548-Y551 HydrophobicContact CG-CG 4.29Å; P548-Y551 WeakPolarHBondContact O-CB 3.42Å; P548-Y551 PolarHBondContact O-N 3.03Å; T549-Y551 PolarHBondContact O-N 3.14Å |
| 552 | V | 93.1 | Very high | 79.6 | Confident | 10 Ų | 10 | 82 Ų | 82 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.8 | -177.6 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | C501 K502 M517 V547 T549 I554 | C501-V552 HydrophobicContact CB-CB 4.03Å; C501-V552 HydrophobicContact CB-CG2 4.47Å; K502-V552 CarbonylContact O-C 3.59Å; K502-V552 WeakPolarHBondContact O-CA 3.49Å; M517-V552 HydrophobicContact CE-CG1 3.94Å; M517-V552 HydrophobicContact SD-CG1 3.84Å; V547-V552 HydrophobicContact CG2-CG1 3.97Å; V547-V552 HydrophobicContact CG2-CG2 4.37Å; T549-V552 WeakPolarHBondContact O-CG2 3.24Å; T549-V552 PolarHBondContact O-N 3.3Å; V552-I554 HydrophobicContact CG2-CD1 4Å; V552-I554 HydrophobicContact CG2-CG1 3.97Å |
| 553 | E | 94.3 | Very high | 77 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.3 | 168.5 | -177.3 | 169.7 | -138 | 0 | 0 | 109.3 | C501 K502 L504 | C501-E553 CarbonylContact C-O 3.55Å; C501-E553 WeakPolarHBondContact CA-O 3.25Å; C501-E553 VanDerWaalsContact CB-O 3.24Å; C501-E553 WeakPolarHBondContact CB-O 3.22Å; K502-E553 PolarHBondContact N-O 2.9Å; K502-E553 PolarHBondContact O-N 3.21Å; L504-E553 HydrophobicContact CD1-CB 4.33Å; L504-E553 HydrophobicContact CD2-CB 4.1Å; L504-E553 HydrophobicContact CG-CB 4.26Å |
| 554 | I | 92.1 | Very high | 76.4 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 28% | 0.282 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.9 | -169.2 | -77.2 | 170.6 | 0 | 0 | 0 | 112.1 | C501 I525 T535 T549 V552 I556 | C501-I554 HydrophobicContact CB-CG1 3.84Å; I525-I554 HydrophobicContact CD1-CB 4.09Å; I525-I554 HydrophobicContact CD1-CG1 3.85Å; I525-I554 HydrophobicContact CD1-CG2 3.57Å; T535-I554 HydrophobicContact CG2-CD1 4.11Å; T549-I554 HydrophobicContact CG2-CD1 3.92Å; V552-I554 HydrophobicContact CG2-CD1 4Å; V552-I554 HydrophobicContact CG2-CG1 3.97Å; I554-I556 HydrophobicContact CG2-CD1 3.79Å; I554-I556 HydrophobicContact CG2-CG1 3.77Å |
| 555 | T | 90.4 | Very high | 75.6 | Confident | 70 Ų | 70 | 90.4 Ų | 90.4 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 110.5 | 173 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | G499 H500 | G499-T555 CarbonylContact C-O 3.58Å; G499-T555 VanDerWaalsContact CA-O 3.26Å; G499-T555 WeakPolarHBondContact CA-O 3.44Å; H500-T555 PolarHBondContact N-O 3.03Å; H500-T555 PolarHBondContact O-N 3.39Å; H500-T555 VanDerWaalsContact O-O 3.1Å |
| 556 | I | 87.3 | Confident | 74.8 | Confident | 64 Ų | 64 | 95.1 Ų | 95.1 | 33% | 0.328 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.5 | -175.4 | -62.8 | 147.3 | 0 | 0 | 0 | 110.6 | E528 I554 K558 | E528-I556 HydrophobicContact CG-CD1 4.01Å; E528-I556 HydrophobicContact CG-CG1 4.33Å; E528-I556 WeakPolarHBondContact OE1-CD1 3.39Å; I554-I556 HydrophobicContact CG2-CD1 3.79Å; I554-I556 HydrophobicContact CG2-CG1 3.77Å; I556-K558 PolarHBondContact O-N 2.6Å |
| 557 | E | 76.5 | Confident | 73.6 | Confident | 140 Ų | 140 | 95.6 Ų | 95.6 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | trans | -84.8 | 94.1 | -175.5 | -68.4 | -166.8 | -168.5 | 0 | 0 | 112.3 | I498 H500 N559 | I498-E557 PolarHBondContact O-N 3.49Å; I498-E557 VanDerWaalsContact O-N 3.09Å; H500-E557 IonicContact ND1-OE1 3.5Å; E557-N559 PolarHBondContact O-N 2.9Å | ||
| 558 | K | 62.5 | Low | 72.3 | Confident | 181 Ų | 181 | 101.6 Ų | 101.6 | 79% | 0.787 | 57% | 0.571 | S | S | * | * | trans | -70.8 | 93 | -179 | -72.4 | -174.9 | 178 | 176.5 | 0 | 113 | I556 S560 | I556-K558 PolarHBondContact O-N 2.6Å; K558-S560 PolarHBondContact O-N 3.03Å; K558-S560 VanDerWaalsContact O-N 3.12Å; K558-S560 PolarHBondContact O-OG 3.4Å; K558-S560 VanDerWaalsContact O-OG 3.05Å | ||
| 559 | N | 45.1 | Very low | 70.9 | Confident | 159 Ų | 159 | 107.4 Ų | 107.4 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | trans | -57.7 | 112.5 | 173.2 | -157.5 | -14.1 | 0 | 0 | 0 | 111 | E557 K561 | E557-N559 PolarHBondContact O-N 2.9Å; N559-K561 PolarHBondContact O-N 2.92Å | ||
| 560 | S | 38.4 | Very low | 69.3 | Low | 112 Ų | 112 | 112.9 Ų | 112.9 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | -90 | 90.4 | -158 | -71 | 0 | 0 | 0 | 0 | 114.1 | K558 | K558-S560 PolarHBondContact O-N 3.03Å; K558-S560 VanDerWaalsContact O-N 3.12Å; K558-S560 PolarHBondContact O-OG 3.4Å; K558-S560 VanDerWaalsContact O-OG 3.05Å | ||
| 561 | K | 37.8 | Very low | 67.5 | Low | 205 Ų | 205 | 114.5 Ų | 114.5 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | trans | -143.7 | 114.3 | 163.7 | -68.6 | -174.9 | -179.2 | 173.5 | 0 | 111 | N559 | N559-K561 PolarHBondContact O-N 2.92Š| ||
| 562 | G | 34.7 | Very low | 65.2 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 81% | 0.814 | 65% | 0.654 | S | S | * | * | trans | 157.5 | 58.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 563 | S | 30.6 | Very low | 62.7 | Low | 201 Ų | 201 | 125.9 Ų | 125.9 | 100% | 1.406 | 71% | 0.707 | S | S | * | * | trans | -142.8 | 0 | 165.3 | -63.9 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 563 of 563 residues in 241.8 ms
(Link to these results)