| 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 | 57.2 | Low | 87.7 | Confident | 233 Ų | 233 | 78.7 Ų | 78.7 | 100% | 1.148 | 40% | 0.402 | S | S | * | . | 0 | 153.2 | 0 | -59.4 | 177.8 | -172.9 | 0 | 0 | 108.9 | |||||
| 2 | P | 64.9 | Low | 88.3 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 140.2 | 166.4 | -17.9 | 31.4 | 0 | 0 | 0 | 109.9 | P22 | P2-P22 HydrophobicContact CB-CG 4.12Š|
| 3 | R | 80.6 | Confident | 88.5 | Confident | 229 Ų | 229 | 75.2 Ų | 75.2 | 86% | 0.864 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 134.3 | 169.2 | -68.3 | -174.8 | -179.5 | -177.7 | 0.2 | 108.6 | P22 | R3-P22 WeakPolarHBondContact O-CD 3.49Å; R3-P22 WeakPolarHBondContact O-CG 3.47Å |
| 4 | A | 88.3 | Confident | 88.8 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -69 | 157.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A19 I20 | A4-A19 HydrophobicContact CB-CB 4.03Å; A4-I20 WeakPolarHBondContact CA-O 3.49Å |
| 5 | V | 92.1 | Very high | 89.3 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 29% | 0.285 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.7 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | A19 I20 P22 L76 | V5-A19 CarbonylContact O-C 3.55Å; V5-A19 WeakPolarHBondContact O-CA 3.5Å; V5-I20 HydrophobicContact CB-CG1 4.01Å; V5-I20 PolarHBondContact N-O 3.27Å; V5-I20 PolarHBondContact O-N 3.38Å; V5-P22 HydrophobicContact CG2-CG 4.39Å; V5-L76 HydrophobicContact CG1-CD1 3.58Å; V5-L76 HydrophobicContact CG1-CG 4.01Å |
| 6 | N | 95.1 | Very high | 89.7 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 138.9 | 178.3 | -55.7 | -31.8 | 0 | 0 | 0 | 110.1 | N74 P75 L76 | N6-N74 PolarHBondContact ND2-OD1 2.96Å; N6-P75 HydrophobicContact CB-CB 3.84Å; N6-P75 WeakPolarHBondContact O-CA 3.49Å; N6-L76 PolarHBondContact O-N 3.46Å |
| 7 | V | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | V9 E17 F18 I20 L29 L76 F78 | V7-V9 HydrophobicContact CG1-CG2 4.01Å; V7-E17 WeakPolarHBondContact O-CA 3.45Å; V7-F18 PolarHBondContact N-O 2.96Å; V7-F18 PolarHBondContact O-N 3.26Å; V7-F18 VanDerWaalsContact O-N 3.08Å; V7-I20 HydrophobicContact CG2-CD1 3.78Å; V7-I20 HydrophobicContact CG2-CG1 3.78Å; V7-I20 HydrophobicContact CG2-CG2 4.05Å; V7-L29 HydrophobicContact CG1-CD1 4.16Å; V7-L29 HydrophobicContact CG1-CD2 4.4Å; V7-L76 HydrophobicContact CG2-CB 4.44Å; V7-F78 HydrophobicContact CG1-CD2 3.55Å; V7-F78 HydrophobicContact CG1-CE2 3.71Å |
| 8 | R | 97.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 72.7 Ų | 72.7 | 28% | 0.279 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.3 | 166.5 | -177.5 | -179.1 | -65.2 | -158.9 | 4.2 | 109 | E15 L16 E17 P75 L76 F78 | R8-E15 WeakPolarHBondContact CD-OE2 3.33Å; R8-E15 IonicContact CZ-OE2 2.74Å; R8-E15 IonicContact NE-OE2 2.75Å; R8-E15 IonicContact NH1-OE2 3.19Å; R8-E15 PolarHBondContact NH1-OE2 3.22Å; R8-L16 CarbonylContact C-O 3.24Å; R8-L16 WeakPolarHBondContact CA-O 3.4Å; R8-E17 HydrophobicContact CB-CG 4.14Å; R8-E17 HydrophobicContact CG-CG 4.09Å; R8-E17 IonicContact CZ-OE1 3.55Å; R8-E17 IonicContact NE-OE1 3.23Å; R8-E17 PolarHBondContact NE-OE1 3.34Å; R8-E17 IonicContact NH2-OE1 2.7Å; R8-E17 PolarHBondContact NH2-OE1 3.12Å; R8-P75 HydrophobicContact CB-CB 4.22Å; R8-P75 HydrophobicContact CB-CG 3.85Å; R8-L76 PolarHBondContact N-O 3.2Å; R8-F78 PolarHBondContact O-N 2.83Å |
| 9 | V | 98 | Very high | 90.4 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116.2 | 173.1 | -173 | 0 | 0 | 0 | 0 | 109.1 | V7 L16 F18 V33 L47 F78 F80 | V7-V9 HydrophobicContact CG1-CG2 4.01Å; V9-L16 HydrophobicContact CB-CB 4.49Å; V9-L16 PolarHBondContact N-O 3.23Å; V9-L16 PolarHBondContact O-N 3.08Å; V9-F18 HydrophobicContact CG2-CE1 4.47Å; V9-F18 HydrophobicContact CG2-CZ 4.38Å; V9-V33 HydrophobicContact CB-CG2 4.17Å; V9-V33 HydrophobicContact CG1-CG1 4.21Å; V9-V33 HydrophobicContact CG1-CG2 3.97Å; V9-V33 HydrophobicContact CG2-CG2 3.84Å; V9-L47 HydrophobicContact CG1-CD2 3.51Å; V9-L47 HydrophobicContact CG2-CD2 4.5Å; V9-F78 WeakPolarHBondContact CA-O 3.43Å; V9-F78 HydrophobicContact CG2-CB 4.32Å; V9-F80 HydrophobicContact CG1-CB 4.13Å |
| 10 | T | 97.8 | Very high | 90.7 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.9 | 177.4 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | E15 F78 K79 F80 | T10-E15 HydrophobicContact CG2-CG 4.09Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.45Å; T10-E15 PolarHBondContact OG1-OE1 3.43Å; T10-F78 PolarHBondContact N-O 3.15Å; T10-K79 CarbonylContact O-C 3.56Å; T10-K79 WeakPolarHBondContact O-CA 3.44Å; T10-F80 PolarHBondContact O-N 3.25Å |
| 11 | T | 96.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | trans | -85.5 | -145.8 | 174.4 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | D13 A14 I37 F80 R81 | T11-D13 PolarHBondContact OG1-N 2.78Å; T11-D13 VanDerWaalsContact OG1-N 3.07Å; T11-D13 PolarHBondContact OG1-OD1 3.5Å; T11-A14 PolarHBondContact N-O 3.17Å; T11-A14 PolarHBondContact OG1-N 3.5Å; T11-A14 PolarHBondContact OG1-O 3.37Å; T11-I37 HydrophobicContact CG2-CG2 4.3Å; T11-F80 HydrophobicContact CG2-CB 4.21Å; T11-R81 PolarHBondContact O-NH1 3.35Å | ||
| 12 | M | 95 | Very high | 92.5 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 20% | 0.197 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -89 | -15.7 | 163.6 | -62.9 | -56.2 | -44.8 | 0 | 0 | 113.1 | R81 L101 L104 Q105 E108 | M12-R81 PolarHBondContact SD-NE 3.48Å; M12-R81 VanDerWaalsContact SD-NE 3.36Å; M12-R81 PolarHBondContact SD-NH2 3.49Å; M12-R81 VanDerWaalsContact SD-NH2 3.38Å; M12-L101 HydrophobicContact CB-CD2 3.91Å; M12-L101 HydrophobicContact CG-CD2 3.9Å; M12-L104 HydrophobicContact CB-CB 3.58Å; M12-L104 HydrophobicContact CB-CD1 3.68Å; M12-L104 HydrophobicContact CB-CG 4.29Å; M12-L104 HydrophobicContact CE-CB 4Å; M12-L104 WeakPolarHBondContact CE-O 3.49Å; M12-L104 HydrophobicContact CG-CB 3.82Å; M12-Q105 HydrophobicContact CG-CB 4.34Å; M12-Q105 HydrophobicContact SD-CB 3.79Å; M12-Q105 HydrophobicContact SD-CG 4.42Å; M12-E108 HydrophobicContact CE-CB 3.97Å; M12-E108 WeakPolarHBondContact CE-OE2 3.36Å |
| 13 | D | 90.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -142.6 | -7 | -162.1 | 62.7 | -26.1 | 0 | 0 | 0 | 115 | T11 K100 L104 | T11-D13 PolarHBondContact OG1-N 2.78Å; T11-D13 VanDerWaalsContact OG1-N 3.07Å; T11-D13 PolarHBondContact OG1-OD1 3.5Å; D13-K100 WeakPolarHBondContact OD2-CE 3.47Å; D13-K100 IonicContact OD2-NZ 3.81Å; D13-K100 PolarHBondContact OD2-NZ 3.5Å; D13-L104 HydrophobicContact CB-CD1 4.08Å |
| 14 | A | 93.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | trans | -148.1 | 159.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | T11 | T11-A14 PolarHBondContact N-O 3.17Å; T11-A14 PolarHBondContact OG1-N 3.5Å; T11-A14 PolarHBondContact OG1-O 3.37Å | ||
| 15 | E | 95.8 | Very high | 95 | Very high | 104 Ų | 104 | 49.2 Ų | 49.2 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.2 | 165.5 | -55.7 | -145 | 122.2 | 0 | 0 | 110 | R8 T10 | R8-E15 WeakPolarHBondContact CD-OE2 3.33Å; R8-E15 IonicContact CZ-OE2 2.74Å; R8-E15 IonicContact NE-OE2 2.75Å; R8-E15 IonicContact NH1-OE2 3.19Å; R8-E15 PolarHBondContact NH1-OE2 3.22Å; T10-E15 HydrophobicContact CG2-CG 4.09Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.45Å; T10-E15 PolarHBondContact OG1-OE1 3.43Å |
| 16 | L | 95.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.7 | 177.1 | -56.5 | 179.2 | 0 | 0 | 0 | 109.5 | R8 V9 F18 V33 T36 I37 | R8-L16 CarbonylContact C-O 3.24Å; R8-L16 WeakPolarHBondContact CA-O 3.4Å; V9-L16 HydrophobicContact CB-CB 4.49Å; V9-L16 PolarHBondContact N-O 3.23Å; V9-L16 PolarHBondContact O-N 3.08Å; L16-F18 HydrophobicContact CB-CD1 4.47Å; L16-F18 HydrophobicContact CB-CE1 4.2Å; L16-V33 HydrophobicContact CD1-CG1 4.33Å; L16-T36 HydrophobicContact CD1-CG2 3.83Å; L16-T36 HydrophobicContact CD2-CG2 3.79Å; L16-T36 HydrophobicContact CG-CG2 4.46Å; L16-I37 HydrophobicContact CD1-CG2 4.12Å |
| 17 | E | 95.4 | Very high | 95.3 | Very high | 115 Ų | 115 | 48.1 Ų | 48.1 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.8 | 172.8 | -67 | -157.9 | 148 | 0 | 0 | 111.9 | V7 R8 P75 | V7-E17 WeakPolarHBondContact O-CA 3.45Å; R8-E17 HydrophobicContact CB-CG 4.14Å; R8-E17 HydrophobicContact CG-CG 4.09Å; R8-E17 IonicContact CZ-OE1 3.55Å; R8-E17 IonicContact NE-OE1 3.23Å; R8-E17 PolarHBondContact NE-OE1 3.34Å; R8-E17 IonicContact NH2-OE1 2.7Å; R8-E17 PolarHBondContact NH2-OE1 3.12Å; E17-P75 WeakPolarHBondContact OE1-CG 3.39Å |
| 18 | F | 93.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 53 Ų | 53 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 167 | 174.2 | 49.6 | -90.2 | 0 | 0 | 0 | 111.9 | V7 V9 L16 I20 L29 Q32 V33 | V7-F18 PolarHBondContact N-O 2.96Å; V7-F18 PolarHBondContact O-N 3.26Å; V7-F18 VanDerWaalsContact O-N 3.08Å; V9-F18 HydrophobicContact CG2-CE1 4.47Å; V9-F18 HydrophobicContact CG2-CZ 4.38Å; L16-F18 HydrophobicContact CB-CD1 4.47Å; L16-F18 HydrophobicContact CB-CE1 4.2Å; F18-I20 HydrophobicContact CD2-CG2 3.89Å; F18-I20 HydrophobicContact CE2-CG2 3.83Å; F18-L29 HydrophobicContact CE2-CD1 3.42Å; F18-L29 VanDerWaalsContact CE2-CD1 3.42Å; F18-L29 HydrophobicContact CZ-CD1 3.48Å; F18-L29 VanDerWaalsContact CZ-CD1 3.48Å; F18-Q32 VanDerWaalsContact CD2-NE2 3.27Å; F18-Q32 VanDerWaalsContact CE2-CD 3.43Å; F18-Q32 HydrophobicContact CE2-CG 4.21Å; F18-Q32 HydrophobicContact CZ-CG 4.14Å; F18-V33 HydrophobicContact CE1-CG2 4.5Å; F18-V33 HydrophobicContact CZ-CG2 4.16Å |
| 19 | A | 94.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A4 V5 | A4-A19 HydrophobicContact CB-CB 4.03Å; V5-A19 CarbonylContact O-C 3.55Å; V5-A19 WeakPolarHBondContact O-CA 3.5Å |
| 20 | I | 95 | Very high | 95.2 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 162.4 | 175.8 | 69.6 | 170.8 | 0 | 0 | 0 | 111.7 | A4 V5 V7 F18 T24 L29 V65 | A4-I20 WeakPolarHBondContact CA-O 3.49Å; V5-I20 HydrophobicContact CB-CG1 4.01Å; V5-I20 PolarHBondContact N-O 3.27Å; V5-I20 PolarHBondContact O-N 3.38Å; V7-I20 HydrophobicContact CG2-CD1 3.78Å; V7-I20 HydrophobicContact CG2-CG1 3.78Å; V7-I20 HydrophobicContact CG2-CG2 4.05Å; F18-I20 HydrophobicContact CD2-CG2 3.89Å; F18-I20 HydrophobicContact CE2-CG2 3.83Å; I20-T24 HydrophobicContact CB-CG2 4.12Å; I20-T24 HydrophobicContact CD1-CG2 4.32Å; I20-T24 HydrophobicContact CG2-CG2 4.32Å; I20-L29 HydrophobicContact CG2-CD1 4.31Å; I20-V65 HydrophobicContact CD1-CB 3.87Å; I20-V65 HydrophobicContact CD1-CG1 4.02Å; I20-V65 HydrophobicContact CD1-CG2 4.04Å |
| 21 | Q | 94.4 | Very high | 95.2 | Very high | 126 Ų | 126 | 50.1 Ų | 50.1 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 151.5 | 171.2 | -60.7 | -173.5 | 9.6 | 0 | 0 | 110.4 | S23 T24 | Q21-S23 WeakPolarHBondContact CB-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.89Å; Q21-S23 PolarHBondContact OE1-OG 3.37Å; Q21-S23 VanDerWaalsContact OE1-OG 3.12Å; Q21-T24 PolarHBondContact N-OG1 3.22Å; Q21-T24 VanDerWaalsContact O-CB 3.26Å; Q21-T24 WeakPolarHBondContact O-CB 3.2Å; Q21-T24 PolarHBondContact O-N 3.44Å; Q21-T24 PolarHBondContact O-OG1 2.94Å; Q21-T24 VanDerWaalsContact O-OG1 3.12Å |
| 22 | P | 90.9 | Very high | 95.2 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -15 | 172.6 | -26 | 35.8 | 0 | 0 | 0 | 114.6 | P2 R3 V5 S66 | P2-P22 HydrophobicContact CB-CG 4.12Å; R3-P22 WeakPolarHBondContact O-CD 3.49Å; R3-P22 WeakPolarHBondContact O-CG 3.47Å; V5-P22 HydrophobicContact CG2-CG 4.39Å; P22-S66 PolarHBondContact O-OG 3.32Å |
| 23 | S | 93.5 | Very high | 95.3 | Very high | 54 Ų | 54 | 52 Ų | 52 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -20.3 | 173.6 | 40 | 0 | 0 | 0 | 0 | 114.4 | Q21 | Q21-S23 WeakPolarHBondContact CB-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.89Å; Q21-S23 PolarHBondContact OE1-OG 3.37Å; Q21-S23 VanDerWaalsContact OE1-OG 3.12Å |
| 24 | T | 95.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -60.1 | 130.6 | -169.5 | -64 | 0 | 0 | 0 | 0 | 112.6 | I20 Q21 Q28 L29 K64 V65 | I20-T24 HydrophobicContact CB-CG2 4.12Å; I20-T24 HydrophobicContact CD1-CG2 4.32Å; I20-T24 HydrophobicContact CG2-CG2 4.32Å; Q21-T24 PolarHBondContact N-OG1 3.22Å; Q21-T24 VanDerWaalsContact O-CB 3.26Å; Q21-T24 WeakPolarHBondContact O-CB 3.2Å; Q21-T24 PolarHBondContact O-N 3.44Å; Q21-T24 PolarHBondContact O-OG1 2.94Å; Q21-T24 VanDerWaalsContact O-OG1 3.12Å; T24-Q28 HydrophobicContact CG2-CB 3.82Å; T24-L29 HydrophobicContact CG2-CB 4.49Å; T24-K64 CarbonylContact O-C 3.59Å; T24-K64 VanDerWaalsContact O-CA 3.31Å; T24-K64 WeakPolarHBondContact O-CA 3.25Å; T24-V65 PolarHBondContact O-N 3.12Å | ||
| 25 | T | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 159.7 | 176 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | K27 Q28 L29 K63 | T25-K27 PolarHBondContact O-N 3.13Å; T25-Q28 PolarHBondContact O-N 3.12Å; T25-Q28 VanDerWaalsContact O-N 3.15Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.47Å; T25-Q28 PolarHBondContact OG1-N 3.03Å; T25-Q28 VanDerWaalsContact OG1-N 3.13Å; T25-L29 PolarHBondContact O-N 3.31Å; T25-K63 CarbonylContact C-O 3.24Å; T25-K63 WeakPolarHBondContact CA-O 3.34Å |
| 26 | G | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -36.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L29 F30 K63 | G26-L29 PolarHBondContact O-N 3.23Å; G26-F30 WeakPolarHBondContact O-CB 3.42Å; G26-F30 PolarHBondContact O-N 3.33Å; G26-K63 PolarHBondContact N-O 3.28Å |
| 27 | K | 97.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 173 | -157.5 | -160.9 | -176 | -59.2 | 0 | 111.7 | T25 L29 F30 D31 L61 | T25-K27 PolarHBondContact O-N 3.13Å; K27-L29 PolarHBondContact O-N 3.39Å; K27-F30 PolarHBondContact O-N 3.14Å; K27-D31 IonicContact NZ-OD1 2.75Å; K27-D31 PolarHBondContact NZ-OD1 3.24Å; K27-D31 IonicContact NZ-OD2 3.78Å; K27-D31 PolarHBondContact NZ-OD2 3.17Å; K27-D31 VanDerWaalsContact O-CB 3.31Å; K27-D31 WeakPolarHBondContact O-CB 3.31Å; K27-D31 PolarHBondContact O-N 3.07Å; K27-L61 HydrophobicContact CB-CB 4.06Å; K27-L61 PolarHBondContact N-O 3.24Å |
| 28 | Q | 97.1 | Very high | 95.4 | Very high | 103 Ų | 103 | 51 Ų | 51 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 179.4 | -75.3 | 170.9 | -34.9 | 0 | 0 | 112.7 | T24 T25 Q32 | T24-Q28 HydrophobicContact CG2-CB 3.82Å; T25-Q28 PolarHBondContact O-N 3.12Å; T25-Q28 VanDerWaalsContact O-N 3.15Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.47Å; T25-Q28 PolarHBondContact OG1-N 3.03Å; T25-Q28 VanDerWaalsContact OG1-N 3.13Å; Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 3.13Å |
| 29 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 173.7 | 174.6 | 57.9 | 0 | 0 | 0 | 111.4 | V7 F18 I20 T24 T25 G26 K27 Q32 V33 L47 L59 V65 F78 | V7-L29 HydrophobicContact CG1-CD1 4.16Å; V7-L29 HydrophobicContact CG1-CD2 4.4Å; F18-L29 HydrophobicContact CE2-CD1 3.42Å; F18-L29 VanDerWaalsContact CE2-CD1 3.42Å; F18-L29 HydrophobicContact CZ-CD1 3.48Å; F18-L29 VanDerWaalsContact CZ-CD1 3.48Å; I20-L29 HydrophobicContact CG2-CD1 4.31Å; T24-L29 HydrophobicContact CG2-CB 4.49Å; T25-L29 PolarHBondContact O-N 3.31Å; G26-L29 PolarHBondContact O-N 3.23Å; K27-L29 PolarHBondContact O-N 3.39Å; L29-Q32 PolarHBondContact O-N 3.12Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 2.77Å; L29-L47 HydrophobicContact CD2-CD1 4.23Å; L29-L47 HydrophobicContact CG-CD1 3.92Å; L29-L59 HydrophobicContact CD2-CD2 3.91Å; L29-L59 HydrophobicContact CG-CD2 4.47Å; L29-V65 HydrophobicContact CB-CG2 4.08Å; L29-V65 HydrophobicContact CD2-CG1 4.2Å; L29-V65 HydrophobicContact CD2-CG2 3.81Å; L29-F78 HydrophobicContact CD2-CD2 4.39Å; L29-F78 HydrophobicContact CD2-CE2 4.13Å; L29-F78 HydrophobicContact CD2-CZ 4.25Å |
| 30 | F | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -48.1 | -179.6 | -176.1 | -117.3 | 0 | 0 | 0 | 112.8 | G26 K27 Q32 V33 L34 V42 F45 L47 L61 F80 S493 | G26-F30 WeakPolarHBondContact O-CB 3.42Å; G26-F30 PolarHBondContact O-N 3.33Å; K27-F30 PolarHBondContact O-N 3.14Å; F30-Q32 PolarHBondContact O-N 3.17Å; F30-V33 PolarHBondContact O-N 2.64Å; F30-V33 VanDerWaalsContact O-N 3.11Å; F30-L34 HydrophobicContact CD1-CD1 3.73Å; F30-L34 HydrophobicContact CE1-CD1 3.43Å; F30-L34 VanDerWaalsContact CE1-CD1 3.43Å; F30-L34 HydrophobicContact CE1-CG 4.28Å; F30-L34 HydrophobicContact CE2-CD1 4.31Å; F30-L34 HydrophobicContact CE2-CD2 4.45Å; F30-L34 HydrophobicContact CE2-CG 4.31Å; F30-L34 HydrophobicContact CG-CD1 4.29Å; F30-L34 HydrophobicContact CZ-CD1 3.74Å; F30-L34 HydrophobicContact CZ-CD2 4.17Å; F30-L34 HydrophobicContact CZ-CG 4.13Å; F30-L34 WeakPolarHBondContact O-CG 3.31Å; F30-L34 PolarHBondContact O-N 3.14Å; F30-V42 HydrophobicContact CE1-CG1 4.28Å; F30-F45 WeakPolarHBondContact CE2-O 3.34Å; F30-F45 WeakPolarHBondContact CZ-O 3.41Å; F30-L47 HydrophobicContact CB-CD1 4.14Å; F30-L47 HydrophobicContact CD2-CD1 4.06Å; F30-L47 HydrophobicContact CD2-CG 4.04Å; F30-L61 HydrophobicContact CB-CD2 3.76Å; F30-L61 HydrophobicContact CD1-CD1 4.12Å; F30-L61 HydrophobicContact CD1-CD2 4.04Å; F30-L61 HydrophobicContact CE1-CD1 4.46Å; F30-L61 HydrophobicContact CG-CD2 3.93Å; F30-F80 HydrophobicContact CD2-CE2 4.23Å; F30-F80 HydrophobicContact CE2-CD2 4.33Å; F30-F80 AromaticContact CE2-CE2 3.63Å; F30-F80 HydrophobicContact CE2-CE2 3.63Å; F30-F80 HydrophobicContact CE2-CZ 4.48Å; F30-S493 WeakPolarHBondContact CE1-O 3.26Å |
| 31 | D | 96.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -34.5 | 174.6 | -67.7 | -6.9 | 0 | 0 | 0 | 112.1 | K27 K35 | K27-D31 IonicContact NZ-OD1 2.75Å; K27-D31 PolarHBondContact NZ-OD1 3.24Å; K27-D31 IonicContact NZ-OD2 3.78Å; K27-D31 PolarHBondContact NZ-OD2 3.17Å; K27-D31 VanDerWaalsContact O-CB 3.31Å; K27-D31 WeakPolarHBondContact O-CB 3.31Å; K27-D31 PolarHBondContact O-N 3.07Å; D31-K35 WeakPolarHBondContact O-CB 3.45Å; D31-K35 VanDerWaalsContact O-CG 3.28Å; D31-K35 WeakPolarHBondContact O-CG 3.45Å; D31-K35 PolarHBondContact O-N 2.93Å |
| 32 | Q | 96 | Very high | 95.6 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.9 | -43.2 | 176.3 | -178.9 | 173.6 | -6.9 | 0 | 0 | 111.9 | F18 Q28 L29 F30 T36 | F18-Q32 VanDerWaalsContact CD2-NE2 3.27Å; F18-Q32 VanDerWaalsContact CE2-CD 3.43Å; F18-Q32 HydrophobicContact CE2-CG 4.21Å; F18-Q32 HydrophobicContact CZ-CG 4.14Å; Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 3.13Å; L29-Q32 PolarHBondContact O-N 3.12Å; F30-Q32 PolarHBondContact O-N 3.17Å; Q32-T36 PolarHBondContact O-N 2.76Å; Q32-T36 VanDerWaalsContact O-N 3.16Å; Q32-T36 PolarHBondContact O-OG1 2.82Å |
| 33 | V | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -51.9 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | V9 L16 F18 L29 F30 K35 T36 I37 F80 | V9-V33 HydrophobicContact CB-CG2 4.17Å; V9-V33 HydrophobicContact CG1-CG1 4.21Å; V9-V33 HydrophobicContact CG1-CG2 3.97Å; V9-V33 HydrophobicContact CG2-CG2 3.84Å; L16-V33 HydrophobicContact CD1-CG1 4.33Å; F18-V33 HydrophobicContact CE1-CG2 4.5Å; F18-V33 HydrophobicContact CZ-CG2 4.16Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 2.77Å; F30-V33 PolarHBondContact O-N 2.64Å; F30-V33 VanDerWaalsContact O-N 3.11Å; V33-K35 PolarHBondContact O-N 3.06Å; V33-T36 WeakPolarHBondContact O-CA 3.22Å; V33-T36 WeakPolarHBondContact O-CB 3.34Å; V33-T36 PolarHBondContact O-N 2.96Å; V33-I37 HydrophobicContact CG1-CD1 4.44Å; V33-I37 WeakPolarHBondContact O-CG1 3.47Å; V33-I37 PolarHBondContact O-N 3.01Å; V33-I37 VanDerWaalsContact O-N 3.12Å; V33-F80 HydrophobicContact CG1-CD2 3.61Å; V33-F80 HydrophobicContact CG1-CE2 3.9Å; V33-F80 HydrophobicContact CG1-CG 4.26Å |
| 34 | L | 95.8 | Very high | 96 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.4 | -50.2 | 179.1 | -72.9 | 169.5 | 0 | 0 | 0 | 112.3 | F30 T36 I37 G38 V39 V42 F80 | F30-L34 HydrophobicContact CD1-CD1 3.73Å; F30-L34 HydrophobicContact CE1-CD1 3.43Å; F30-L34 VanDerWaalsContact CE1-CD1 3.43Å; F30-L34 HydrophobicContact CE1-CG 4.28Å; F30-L34 HydrophobicContact CE2-CD1 4.31Å; F30-L34 HydrophobicContact CE2-CD2 4.45Å; F30-L34 HydrophobicContact CE2-CG 4.31Å; F30-L34 HydrophobicContact CG-CD1 4.29Å; F30-L34 HydrophobicContact CZ-CD1 3.74Å; F30-L34 HydrophobicContact CZ-CD2 4.17Å; F30-L34 HydrophobicContact CZ-CG 4.13Å; F30-L34 WeakPolarHBondContact O-CG 3.31Å; F30-L34 PolarHBondContact O-N 3.14Å; L34-T36 PolarHBondContact O-N 2.74Å; L34-I37 WeakPolarHBondContact O-CG1 3.46Å; L34-I37 PolarHBondContact O-N 3.29Å; L34-I37 VanDerWaalsContact O-N 3.16Å; L34-G38 PolarHBondContact O-N 3.05Å; L34-V39 HydrophobicContact CD2-CB 3.93Å; L34-V39 HydrophobicContact CD2-CG1 3.62Å; L34-V39 PolarHBondContact O-N 2.68Å; L34-V42 HydrophobicContact CD1-CG1 3.45Å; L34-V42 VanDerWaalsContact CD1-CG1 3.45Å; L34-F80 HydrophobicContact CD2-CE2 4.06Å; L34-F80 HydrophobicContact CD2-CZ 3.82Å |
| 35 | K | 94.6 | Very high | 96.1 | Very high | 179 Ų | 179 | 43.7 Ų | 43.7 | 78% | 0.778 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.4 | -24.4 | 177.4 | -73.9 | 176.8 | 179.1 | -174.4 | 0 | 114.4 | D31 V33 | D31-K35 WeakPolarHBondContact O-CB 3.45Å; D31-K35 VanDerWaalsContact O-CG 3.28Å; D31-K35 WeakPolarHBondContact O-CG 3.45Å; D31-K35 PolarHBondContact O-N 2.93Å; V33-K35 PolarHBondContact O-N 3.06Å |
| 36 | T | 94.9 | Very high | 96.1 | Very high | 83 Ų | 83 | 42.2 Ų | 42.2 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -80.5 | -27.3 | 177.1 | -53 | 0 | 0 | 0 | 0 | 111.7 | L16 Q32 V33 L34 | L16-T36 HydrophobicContact CD1-CG2 3.83Å; L16-T36 HydrophobicContact CD2-CG2 3.79Å; L16-T36 HydrophobicContact CG-CG2 4.46Å; Q32-T36 PolarHBondContact O-N 2.76Å; Q32-T36 VanDerWaalsContact O-N 3.16Å; Q32-T36 PolarHBondContact O-OG1 2.82Å; V33-T36 WeakPolarHBondContact O-CA 3.22Å; V33-T36 WeakPolarHBondContact O-CB 3.34Å; V33-T36 PolarHBondContact O-N 2.96Å; L34-T36 PolarHBondContact O-N 2.74Å |
| 37 | I | 94.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -103.6 | -5.5 | -178.5 | 67.2 | 175.1 | 0 | 0 | 0 | 114.4 | T11 L16 V33 L34 V39 F80 L101 | T11-I37 HydrophobicContact CG2-CG2 4.3Å; L16-I37 HydrophobicContact CD1-CG2 4.12Å; V33-I37 HydrophobicContact CG1-CD1 4.44Å; V33-I37 WeakPolarHBondContact O-CG1 3.47Å; V33-I37 PolarHBondContact O-N 3.01Å; V33-I37 VanDerWaalsContact O-N 3.12Å; L34-I37 WeakPolarHBondContact O-CG1 3.46Å; L34-I37 PolarHBondContact O-N 3.29Å; L34-I37 VanDerWaalsContact O-N 3.16Å; I37-V39 HydrophobicContact CD1-CB 4.03Å; I37-V39 HydrophobicContact CD1-CG2 3.64Å; I37-V39 HydrophobicContact CG1-CB 3.94Å; I37-V39 HydrophobicContact CG1-CG2 3.7Å; I37-F80 HydrophobicContact CD1-CD1 4.17Å; I37-F80 HydrophobicContact CD1-CE1 3.59Å; I37-F80 HydrophobicContact CD1-CE2 4.27Å; I37-F80 HydrophobicContact CD1-CZ 3.64Å; I37-L101 HydrophobicContact CD1-CD1 4.37Å |
| 38 | G | 94.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 43% | 0.433 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -8.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L34 Q95 | L34-G38 PolarHBondContact O-N 3.05Å; G38-Q95 PolarHBondContact O-OE1 3.48Å |
| 39 | V | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | trans | -71.2 | 121.4 | -174.8 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | L34 I37 F45 I97 L101 N491 | L34-V39 HydrophobicContact CD2-CB 3.93Å; L34-V39 HydrophobicContact CD2-CG1 3.62Å; L34-V39 PolarHBondContact O-N 2.68Å; I37-V39 HydrophobicContact CD1-CB 4.03Å; I37-V39 HydrophobicContact CD1-CG2 3.64Å; I37-V39 HydrophobicContact CG1-CB 3.94Å; I37-V39 HydrophobicContact CG1-CG2 3.7Å; V39-F45 HydrophobicContact CG1-CD2 4.03Å; V39-F45 HydrophobicContact CG1-CE2 4.04Å; V39-I97 HydrophobicContact CG2-CG1 4.12Å; V39-I97 HydrophobicContact CG2-CG2 3.6Å; V39-L101 HydrophobicContact CG2-CD1 4.33Å; V39-N491 VanDerWaalsContact CG1-O 3.25Å; V39-N491 WeakPolarHBondContact CG1-O 3.47Å | ||
| 40 | R | 95.2 | Very high | 95.8 | Very high | 94 Ų | 94 | 39.6 Ų | 39.6 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | trans | -86.2 | -113.4 | -161.8 | -78.8 | 179.5 | 50.9 | -163.9 | 6.2 | 119.4 | V42 M305 D490 | R40-V42 WeakPolarHBondContact O-CG1 3.36Å; R40-M305 HydrophobicContact CB-CE 3.69Å; R40-M305 VanDerWaalsContact CZ-CE 3.48Å; R40-D490 HydrophobicContact CB-CB 3.95Å; R40-D490 WeakPolarHBondContact CD-OD1 3.4Å; R40-D490 HydrophobicContact CG-CB 4.13Å; R40-D490 IonicContact CZ-OD1 2.78Å; R40-D490 IonicContact NE-OD1 3.54Å; R40-D490 PolarHBondContact NE-OD1 3.19Å; R40-D490 IonicContact NH1-OD1 3.87Å; R40-D490 PolarHBondContact NH1-OD1 2.82Å | ||
| 41 | E | 95.9 | Very high | 95.5 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -70.6 | 167.8 | 178.3 | -156.1 | -97.1 | 99.4 | 0 | 0 | 109.6 | W43 R293 M305 N491 N492 | E41-W43 HydrophobicContact CB-CZ3 4.16Å; E41-W43 HydrophobicContact CG-CZ3 4.49Å; E41-W43 VanDerWaalsContact OE2-CZ3 3.26Å; E41-W43 WeakPolarHBondContact OE2-CZ3 3.47Å; E41-R293 IonicContact OE1-NH1 3.64Å; E41-R293 IonicContact OE2-CZ 2.85Å; E41-R293 VanDerWaalsContact OE2-CZ 3.24Å; E41-R293 IonicContact OE2-NH1 3.65Å; E41-R293 PolarHBondContact OE2-NH1 3.21Å; E41-R293 IonicContact OE2-NH2 2.78Å; E41-R293 PolarHBondContact OE2-NH2 3.16Å; E41-M305 HydrophobicContact CB-CE 3.91Å; E41-N491 WeakPolarHBondContact CA-OD1 3.39Å; E41-N491 WeakPolarHBondContact CB-OD1 3.36Å; E41-N491 PolarHBondContact N-OD1 2.66Å; E41-N491 CarbonylContact O-C 3.51Å; E41-N491 VanDerWaalsContact O-C 3.24Å; E41-N491 WeakPolarHBondContact O-CA 3.36Å; E41-N491 VanDerWaalsContact O-CB 3.22Å; E41-N491 WeakPolarHBondContact O-CB 3.44Å; E41-N491 PolarHBondContact O-OD1 3.39Å; E41-N492 WeakPolarHBondContact O-CA 3.17Å; E41-N492 PolarHBondContact O-N 2.91Å |
| 42 | V | 95.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 41 Ų | 41 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | trans | -133.5 | 83.9 | -138.5 | -75.6 | 0 | 0 | 0 | 0 | 116.4 | F30 L34 R40 S493 T494 | F30-V42 HydrophobicContact CE1-CG1 4.28Å; L34-V42 HydrophobicContact CD1-CG1 3.45Å; L34-V42 VanDerWaalsContact CD1-CG1 3.45Å; R40-V42 WeakPolarHBondContact O-CG1 3.36Å; V42-S493 VanDerWaalsContact CB-N 3.33Å; V42-S493 CarbonylContact O-C 3.54Å; V42-S493 VanDerWaalsContact O-CA 3.28Å; V42-S493 WeakPolarHBondContact O-CA 3.33Å; V42-T494 PolarHBondContact O-N 2.89Å; V42-T494 VanDerWaalsContact O-N 3.09Å; V42-T494 PolarHBondContact O-OG1 2.77Å | ||
| 43 | W | 94.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 10% | 0.095 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -133.2 | -5.9 | 174.8 | 70.2 | 75 | 0 | 0 | 0 | 123.1 | E41 F84 I94 L290 R293 V302 N491 N492 S493 | E41-W43 HydrophobicContact CB-CZ3 4.16Å; E41-W43 HydrophobicContact CG-CZ3 4.49Å; E41-W43 VanDerWaalsContact OE2-CZ3 3.26Å; E41-W43 WeakPolarHBondContact OE2-CZ3 3.47Å; W43-F84 WeakPolarHBondContact O-CD2 3.47Å; W43-I94 HydrophobicContact CH2-CD1 3.9Å; W43-I94 HydrophobicContact CZ2-CD1 3.32Å; W43-L290 HydrophobicContact CB-CD2 3.59Å; W43-L290 HydrophobicContact CG-CD2 3.53Å; W43-R293 VanDerWaalsContact CE3-CZ 3.46Å; W43-R293 VanDerWaalsContact CZ3-CZ 3.48Å; W43-V302 HydrophobicContact CH2-CG2 3.54Å; W43-V302 HydrophobicContact CZ2-CG2 4.47Å; W43-V302 HydrophobicContact CZ3-CG2 4.03Å; W43-N491 HydrophobicContact CH2-CB 4.18Å; W43-N491 HydrophobicContact CZ3-CB 4.33Å; W43-N492 VanDerWaalsContact C-OD1 3.23Å; W43-N492 VanDerWaalsContact CA-OD1 3.24Å; W43-N492 WeakPolarHBondContact CA-OD1 3.39Å; W43-N492 VanDerWaalsContact CD2-OD1 3.31Å; W43-N492 PolarHBondContact N-OD1 2.98Å; W43-N492 PolarHBondContact NE1-OD1 3.02Å; W43-S493 VanDerWaalsContact C-CA 3.45Å |
| 44 | Y | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -106.5 | -62.9 | 174.4 | -49.8 | -45.5 | 0 | 0 | 0 | 120.3 | K83 F84 E92 L93 I94 T98 F102 L290 N492 S493 | Y44-K83 WeakPolarHBondContact O-CB 3.16Å; Y44-K83 PolarHBondContact O-N 2.75Å; Y44-F84 HydrophobicContact CD1-CB 4.47Å; Y44-F84 PolarHBondContact O-N 3.23Å; Y44-E92 PolarHBondContact OH-O 3.18Å; Y44-E92 PolarHBondContact OH-OE2 2.94Å; Y44-L93 HydrophobicContact CD2-CD2 4.12Å; Y44-L93 HydrophobicContact CE2-CD2 3.65Å; Y44-I94 HydrophobicContact CE2-CD1 4.34Å; Y44-I94 HydrophobicContact CE2-CG1 4.44Å; Y44-T98 HydrophobicContact CD2-CG2 4.47Å; Y44-F102 HydrophobicContact CD1-CZ 4.4Å; Y44-F102 AromaticContact CD2-CE2 3.49Å; Y44-F102 HydrophobicContact CD2-CE2 3.49Å; Y44-F102 VanDerWaalsContact CD2-CE2 3.49Å; Y44-F102 AromaticContact CD2-CZ 3.77Å; Y44-F102 HydrophobicContact CD2-CZ 3.77Å; Y44-F102 HydrophobicContact CE2-CE2 4.31Å; Y44-F102 AromaticContact CG-CE2 3.88Å; Y44-F102 HydrophobicContact CG-CE2 3.88Å; Y44-F102 AromaticContact CG-CZ 3.74Å; Y44-F102 HydrophobicContact CG-CZ 3.74Å; Y44-L290 HydrophobicContact CD1-CD1 4.43Å; Y44-N492 HydrophobicContact CD2-CB 3.73Å; Y44-N492 WeakPolarHBondContact CD2-ND2 3.39Å; Y44-N492 WeakPolarHBondContact CD2-OD1 3.42Å; Y44-N492 WeakPolarHBondContact CE2-ND2 3.26Å; Y44-N492 HydrophobicContact CG-CB 3.91Å; Y44-N492 VanDerWaalsContact CG-CG 3.44Å; Y44-N492 PolarHBondContact N-OD1 3.02Å; Y44-S493 VanDerWaalsContact C-CB 3.45Å; Y44-S493 PolarHBondContact O-OG 2.78Å; Y44-S493 VanDerWaalsContact O-OG 3.04Å |
| 45 | F | 97.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.9 | -172.1 | -50.6 | -72.4 | 0 | 0 | 0 | 119.4 | F30 V39 F80 R81 A82 T98 L101 F102 N492 S493 | F30-F45 WeakPolarHBondContact CE2-O 3.34Å; F30-F45 WeakPolarHBondContact CZ-O 3.41Å; V39-F45 HydrophobicContact CG1-CD2 4.03Å; V39-F45 HydrophobicContact CG1-CE2 4.04Å; F45-F80 HydrophobicContact CB-CD1 4.1Å; F45-F80 HydrophobicContact CB-CE1 3.4Å; F45-F80 HydrophobicContact CB-CE2 3.99Å; F45-F80 HydrophobicContact CB-CZ 3.34Å; F45-F80 HydrophobicContact CD1-CD1 4.42Å; F45-F80 AromaticContact CD1-CE1 3.89Å; F45-F80 HydrophobicContact CD1-CE1 3.89Å; F45-F80 AromaticContact CD2-CE1 3.67Å; F45-F80 HydrophobicContact CD2-CE1 3.67Å; F45-F80 AromaticContact CD2-CZ 3.81Å; F45-F80 HydrophobicContact CD2-CZ 3.81Å; F45-F80 HydrophobicContact CE2-CE1 4.42Å; F45-F80 HydrophobicContact CG-CD1 4.25Å; F45-F80 AromaticContact CG-CE1 3.39Å; F45-F80 HydrophobicContact CG-CE1 3.39Å; F45-F80 AromaticContact CG-CZ 3.71Å; F45-F80 HydrophobicContact CG-CZ 3.71Å; F45-R81 CarbonylContact C-O 3.54Å; F45-R81 WeakPolarHBondContact CA-O 3.33Å; F45-A82 HydrophobicContact CD1-CB 3.94Å; F45-A82 HydrophobicContact CE1-CB 4.11Å; F45-T98 HydrophobicContact CE2-CG2 3.92Å; F45-T98 HydrophobicContact CZ-CG2 3.85Å; F45-L101 HydrophobicContact CE1-CB 3.6Å; F45-L101 HydrophobicContact CE1-CD1 4.19Å; F45-L101 HydrophobicContact CE2-CD1 4.19Å; F45-L101 HydrophobicContact CZ-CB 3.65Å; F45-L101 HydrophobicContact CZ-CD1 3.89Å; F45-L101 HydrophobicContact CZ-CG 4.45Å; F45-F102 AromaticContact CE1-CD2 3.9Å; F45-F102 HydrophobicContact CE1-CD2 3.9Å; F45-F102 AromaticContact CE1-CE2 3.91Å; F45-F102 HydrophobicContact CE1-CE2 3.91Å; F45-F102 AromaticContact CZ-CD2 3.83Å; F45-F102 HydrophobicContact CZ-CD2 3.83Å; F45-F102 AromaticContact CZ-CE2 3.88Å; F45-F102 HydrophobicContact CZ-CE2 3.88Å; F45-N492 WeakPolarHBondContact CA-O 3.37Å; F45-N492 VanDerWaalsContact CB-O 3.23Å; F45-N492 WeakPolarHBondContact CB-O 3.43Å; F45-N492 HydrophobicContact CD2-CB 3.68Å; F45-N492 WeakPolarHBondContact CD2-O 3.47Å; F45-N492 HydrophobicContact CE2-CB 3.95Å; F45-N492 PolarHBondContact N-O 2.97Å; F45-S493 PolarHBondContact N-OG 2.82Å; F45-S493 WeakPolarHBondContact O-CB 3.34Å; F45-S493 PolarHBondContact O-OG 3.21Å |
| 46 | G | 96.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 45 Ų | 45 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 172.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W58 R81 | G46-W58 VanDerWaalsContact C-CZ3 3.49Å; G46-W58 VanDerWaalsContact CA-CZ3 3.47Å; G46-R81 PolarHBondContact N-O 3.37Å; G46-R81 PolarHBondContact O-N 2.98Å |
| 47 | L | 97.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115 | 159.7 | -74.1 | 169.1 | 0 | 0 | 0 | 109.9 | V9 L29 F30 L59 F78 K79 F80 | V9-L47 HydrophobicContact CG1-CD2 3.51Å; V9-L47 HydrophobicContact CG2-CD2 4.5Å; L29-L47 HydrophobicContact CD2-CD1 4.23Å; L29-L47 HydrophobicContact CG-CD1 3.92Å; F30-L47 HydrophobicContact CB-CD1 4.14Å; F30-L47 HydrophobicContact CD2-CD1 4.06Å; F30-L47 HydrophobicContact CD2-CG 4.04Å; L47-L59 HydrophobicContact CB-CB 3.92Å; L47-L59 HydrophobicContact CB-CD2 4.04Å; L47-L59 HydrophobicContact CD1-CD2 3.69Å; L47-L59 WeakPolarHBondContact O-CB 3.41Å; L47-L59 PolarHBondContact O-N 3.4Å; L47-F78 HydrophobicContact CB-CD1 4.46Å; L47-F78 HydrophobicContact CD2-CB 4.17Å; L47-K79 CarbonylContact C-O 3.19Å; L47-K79 WeakPolarHBondContact CA-O 3.36Å; L47-F80 HydrophobicContact CD2-CB 4.2Å; L47-F80 HydrophobicContact CD2-CD2 4.03Å; L47-F80 HydrophobicContact CG-CD2 4.49Å |
| 48 | Q | 96.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.7 | 175 | -167.6 | -171.1 | 62.9 | 0 | 0 | 110.1 | P56 N57 W58 F78 K79 | Q48-P56 HydrophobicContact CG-CB 4.42Å; Q48-N57 CarbonylContact C-O 3.58Å; Q48-N57 WeakPolarHBondContact CA-O 3.33Å; Q48-W58 HydrophobicContact CB-CD2 4.48Å; Q48-W58 HydrophobicContact CB-CE3 3.94Å; Q48-W58 HydrophobicContact CB-CH2 4.38Å; Q48-W58 HydrophobicContact CB-CZ3 3.88Å; Q48-F78 CarbonylContact O-C 3.59Å; Q48-F78 VanDerWaalsContact O-CA 3.27Å; Q48-F78 WeakPolarHBondContact O-CA 3.28Å; Q48-K79 HydrophobicContact CB-CB 4.46Å; Q48-K79 PolarHBondContact N-O 2.98Å; Q48-K79 PolarHBondContact O-N 3.48Å |
| 49 | Y | 95.5 | Very high | 93.5 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164 | 173.3 | 68.4 | -86.1 | 0 | 0 | 0 | 111.4 | D51 P56 N57 L59 V70 F78 | Y49-D51 HydrophobicContact CE2-CB 4.26Å; Y49-P56 CarbonylContact O-C 3.52Å; Y49-P56 WeakPolarHBondContact O-CA 3.2Å; Y49-N57 HydrophobicContact CD1-CB 4.41Å; Y49-N57 WeakPolarHBondContact CD1-O 3.41Å; Y49-N57 HydrophobicContact CE1-CB 3.88Å; Y49-N57 HydrophobicContact CE2-CB 4.02Å; Y49-N57 PolarHBondContact N-O 3.2Å; Y49-N57 PolarHBondContact O-N 3.45Å; Y49-L59 HydrophobicContact CD1-CB 4.35Å; Y49-L59 HydrophobicContact CE1-CB 4.47Å; Y49-V70 HydrophobicContact CD2-CB 4.02Å; Y49-V70 HydrophobicContact CD2-CG1 3.97Å; Y49-V70 HydrophobicContact CD2-CG2 3.78Å; Y49-V70 HydrophobicContact CE2-CB 4.27Å; Y49-V70 HydrophobicContact CE2-CG2 3.81Å; Y49-V70 HydrophobicContact CG-CG1 4.35Å; Y49-V70 HydrophobicContact CG-CG2 4.21Å; Y49-F78 HydrophobicContact CD1-CD1 4.45Å; Y49-F78 HydrophobicContact CD1-CE1 4.11Å; Y49-F78 HydrophobicContact CG-CD1 4.43Å; Y49-F78 HydrophobicContact CG-CE1 4.09Å |
| 50 | V | 93.6 | Very high | 93.3 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.3 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | Y55 K71 | V50-Y55 WeakPolarHBondContact CA-O 3.46Å; V50-K71 VanDerWaalsContact O-CB 3.3Å; V50-K71 WeakPolarHBondContact O-CB 3.37Å; V50-K71 PolarHBondContact O-N 2.97Å |
| 51 | D | 90.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -75.4 | 169.6 | 178.4 | 71.7 | 21.4 | 0 | 0 | 0 | 112.9 | Y49 K53 G54 Y55 N57 D69 | Y49-D51 HydrophobicContact CE2-CB 4.26Å; D51-K53 PolarHBondContact O-N 3.11Å; D51-K53 VanDerWaalsContact OD1-C 3.24Å; D51-K53 VanDerWaalsContact OD1-CA 3.27Å; D51-K53 WeakPolarHBondContact OD1-CA 3.48Å; D51-K53 WeakPolarHBondContact OD1-CB 3.43Å; D51-K53 PolarHBondContact OD1-N 3.48Å; D51-G54 PolarHBondContact O-N 3.21Å; D51-G54 PolarHBondContact OD1-N 3.41Å; D51-Y55 PolarHBondContact N-O 2.89Å; D51-Y55 PolarHBondContact OD1-N 3.33Å; D51-N57 WeakPolarHBondContact CB-ND2 3.31Å; D51-N57 VanDerWaalsContact CG-ND2 3.34Å; D51-N57 PolarHBondContact OD2-ND2 3.32Å; D51-D69 CarbonylContact C-O 3.52Å; D51-D69 WeakPolarHBondContact CA-O 3.45Å; D51-D69 HydrophobicContact CB-CB 4.46Å; D51-D69 VanDerWaalsContact CB-O 3.32Å; D51-D69 WeakPolarHBondContact CB-O 3.39Å |
| 52 | T | 90.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -9.8 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | D69 | T52-D69 WeakPolarHBondContact CB-OD1 3.29Å; T52-D69 WeakPolarHBondContact CG2-OD1 3.37Å; T52-D69 PolarHBondContact N-O 2.79Å; T52-D69 VanDerWaalsContact OG1-CG 3.26Å; T52-D69 PolarHBondContact OG1-OD1 2.93Å; T52-D69 PolarHBondContact OG1-OD2 3.31Å |
| 53 | K | 88 | Confident | 93.1 | Very high | 130 Ų | 130 | 50.7 Ų | 50.7 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 8.1 | 179.5 | -59.1 | 164.3 | -166.5 | 61.7 | 0 | 111.9 | D51 Y55 D69 | D51-K53 PolarHBondContact O-N 3.11Å; D51-K53 VanDerWaalsContact OD1-C 3.24Å; D51-K53 VanDerWaalsContact OD1-CA 3.27Å; D51-K53 WeakPolarHBondContact OD1-CA 3.48Å; D51-K53 WeakPolarHBondContact OD1-CB 3.43Å; D51-K53 PolarHBondContact OD1-N 3.48Å; K53-Y55 HydrophobicContact CB-CD2 3.77Å; K53-Y55 HydrophobicContact CB-CE2 3.94Å; K53-Y55 VanDerWaalsContact O-CD2 3.28Å; K53-Y55 WeakPolarHBondContact O-CD2 3.19Å; K53-Y55 VanDerWaalsContact O-CE2 3.28Å; K53-Y55 WeakPolarHBondContact O-CE2 3.45Å; K53-D69 IonicContact NZ-OD1 2.61Å; K53-D69 IonicContact NZ-OD2 3.08Å; K53-D69 PolarHBondContact NZ-OD2 2.96Å |
| 54 | G | 87.9 | Confident | 93.1 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 84.6 | 14.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D51 | D51-G54 PolarHBondContact O-N 3.21Å; D51-G54 PolarHBondContact OD1-N 3.41Å |
| 55 | Y | 85.5 | Confident | 93 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | trans | -106.1 | 140.9 | -176.4 | -59.6 | -77 | 0 | 0 | 0 | 113.4 | V50 D51 K53 N57 R273 | V50-Y55 WeakPolarHBondContact CA-O 3.46Å; D51-Y55 PolarHBondContact N-O 2.89Å; D51-Y55 PolarHBondContact OD1-N 3.33Å; K53-Y55 HydrophobicContact CB-CD2 3.77Å; K53-Y55 HydrophobicContact CB-CE2 3.94Å; K53-Y55 VanDerWaalsContact O-CD2 3.28Å; K53-Y55 WeakPolarHBondContact O-CD2 3.19Å; K53-Y55 VanDerWaalsContact O-CE2 3.28Å; K53-Y55 WeakPolarHBondContact O-CE2 3.45Å; Y55-N57 PolarHBondContact O-N 3.16Å; Y55-N57 PolarHBondContact O-ND2 3.24Å; Y55-R273 PolarHBondContact OH-NH1 2.95Å | ||
| 56 | P | 89.1 | Confident | 92.6 | Very high | 84 Ų | 84 | 58 Ų | 58 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131.4 | 175.1 | 28.9 | -34 | 0 | 0 | 0 | 110.9 | Q48 Y49 | Q48-P56 HydrophobicContact CG-CB 4.42Å; Y49-P56 CarbonylContact O-C 3.52Å; Y49-P56 WeakPolarHBondContact O-CA 3.2Å |
| 57 | N | 90.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 156.5 | 177.9 | -73 | -96.5 | 0 | 0 | 0 | 109.6 | Q48 Y49 D51 Y55 | Q48-N57 CarbonylContact C-O 3.58Å; Q48-N57 WeakPolarHBondContact CA-O 3.33Å; Y49-N57 HydrophobicContact CD1-CB 4.41Å; Y49-N57 WeakPolarHBondContact CD1-O 3.41Å; Y49-N57 HydrophobicContact CE1-CB 3.88Å; Y49-N57 HydrophobicContact CE2-CB 4.02Å; Y49-N57 PolarHBondContact N-O 3.2Å; Y49-N57 PolarHBondContact O-N 3.45Å; D51-N57 WeakPolarHBondContact CB-ND2 3.31Å; D51-N57 VanDerWaalsContact CG-ND2 3.34Å; D51-N57 PolarHBondContact OD2-ND2 3.32Å; Y55-N57 PolarHBondContact O-N 3.16Å; Y55-N57 PolarHBondContact O-ND2 3.24Å |
| 58 | W | 93.9 | Very high | 92.1 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 27% | 0.269 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.6 | 172 | -65.4 | 101.8 | 0 | 0 | 0 | 110.8 | G46 Q48 K60 R81 K83 | G46-W58 VanDerWaalsContact C-CZ3 3.49Å; G46-W58 VanDerWaalsContact CA-CZ3 3.47Å; Q48-W58 HydrophobicContact CB-CD2 4.48Å; Q48-W58 HydrophobicContact CB-CE3 3.94Å; Q48-W58 HydrophobicContact CB-CH2 4.38Å; Q48-W58 HydrophobicContact CB-CZ3 3.88Å; W58-K60 PolarHBondContact O-N 2.87Å; W58-R81 HydrophobicContact CH2-CB 3.94Å; W58-R81 HydrophobicContact CZ3-CB 4.29Å; W58-K83 HydrophobicContact CD2-CB 4.43Å; W58-K83 HydrophobicContact CD2-CD 4.07Å; W58-K83 HydrophobicContact CD2-CG 4.14Å; W58-K83 HydrophobicContact CE3-CB 4.38Å; W58-K83 HydrophobicContact CE3-CD 4.44Å; W58-K83 HydrophobicContact CG-CD 4.26Å; W58-K83 HydrophobicContact CH2-CB 3.68Å; W58-K83 HydrophobicContact CH2-CG 4.29Å; W58-K83 HydrophobicContact CZ2-CB 3.73Å; W58-K83 HydrophobicContact CZ2-CG 3.86Å; W58-K83 HydrophobicContact CZ3-CB 4.04Å |
| 59 | L | 95.1 | Very high | 91.8 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 127.9 | 177 | -174.8 | 72.1 | 0 | 0 | 0 | 110.6 | L29 L47 Y49 V65 F78 | L29-L59 HydrophobicContact CD2-CD2 3.91Å; L29-L59 HydrophobicContact CG-CD2 4.47Å; L47-L59 HydrophobicContact CB-CB 3.92Å; L47-L59 HydrophobicContact CB-CD2 4.04Å; L47-L59 HydrophobicContact CD1-CD2 3.69Å; L47-L59 WeakPolarHBondContact O-CB 3.41Å; L47-L59 PolarHBondContact O-N 3.4Å; Y49-L59 HydrophobicContact CD1-CB 4.35Å; Y49-L59 HydrophobicContact CE1-CB 4.47Å; L59-V65 HydrophobicContact CD1-CG1 4.42Å; L59-V65 HydrophobicContact CD1-CG2 4.44Å; L59-F78 HydrophobicContact CD1-CE1 3.96Å; L59-F78 HydrophobicContact CD2-CE1 4.49Å |
| 60 | K | 92.9 | Very high | 91.7 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 118.5 | 175.3 | -68.1 | -175.6 | 155 | -69.9 | 0 | 110.2 | W58 D62 K63 Q68 H282 | W58-K60 PolarHBondContact O-N 2.87Å; K60-D62 VanDerWaalsContact C-N 3.31Å; K60-D62 WeakPolarHBondContact CB-OD1 3.3Å; K60-D62 PolarHBondContact O-N 2.6Å; K60-K63 HydrophobicContact CB-CB 4.33Å; K60-K63 HydrophobicContact CB-CG 4.11Å; K60-K63 HydrophobicContact CD-CD 4.24Å; K60-K63 PolarHBondContact O-N 3.19Å; K60-Q68 PolarHBondContact O-NE2 3.46Å; K60-H282 PolarHBondContact NZ-NE2 2.86Å |
| 61 | L | 93.6 | Very high | 91.6 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -32.2 | -175.6 | -55.6 | -175.8 | 0 | 0 | 0 | 112.2 | K27 F30 K63 T494 | K27-L61 HydrophobicContact CB-CB 4.06Å; K27-L61 PolarHBondContact N-O 3.24Å; F30-L61 HydrophobicContact CB-CD2 3.76Å; F30-L61 HydrophobicContact CD1-CD1 4.12Å; F30-L61 HydrophobicContact CD1-CD2 4.04Å; F30-L61 HydrophobicContact CE1-CD1 4.46Å; F30-L61 HydrophobicContact CG-CD2 3.93Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.14Å; L61-T494 HydrophobicContact CD1-CG2 4.31Å |
| 62 | D | 92.4 | Very high | 91.5 | Very high | 117 Ų | 117 | 71.9 Ų | 71.9 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.4 | 178.7 | 64 | -61.4 | 0 | 0 | 0 | 114.6 | K60 | K60-D62 VanDerWaalsContact C-N 3.31Å; K60-D62 WeakPolarHBondContact CB-OD1 3.3Å; K60-D62 PolarHBondContact O-N 2.6Å |
| 63 | K | 94.2 | Very high | 91.5 | Very high | 97 Ų | 97 | 71.6 Ų | 71.6 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -119.7 | 153 | -170.5 | -51.8 | -153.8 | 175.4 | -154.7 | 0 | 112.8 | T25 G26 K60 L61 V65 Q68 | T25-K63 CarbonylContact C-O 3.24Å; T25-K63 WeakPolarHBondContact CA-O 3.34Å; G26-K63 PolarHBondContact N-O 3.28Å; K60-K63 HydrophobicContact CB-CB 4.33Å; K60-K63 HydrophobicContact CB-CG 4.11Å; K60-K63 HydrophobicContact CD-CD 4.24Å; K60-K63 PolarHBondContact O-N 3.19Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.14Å; K63-V65 PolarHBondContact O-N 3.4Å; K63-Q68 HydrophobicContact CB-CG 4.24Å; K63-Q68 PolarHBondContact O-NE2 3.38Å |
| 64 | K | 95.6 | Very high | 91.6 | Very high | 107 Ų | 107 | 71.5 Ų | 71.5 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 136.7 | 172.8 | -60.7 | -178.3 | 177.4 | 173.1 | 0 | 109.9 | T24 S66 S67 | T24-K64 CarbonylContact O-C 3.59Å; T24-K64 VanDerWaalsContact O-CA 3.31Å; T24-K64 WeakPolarHBondContact O-CA 3.25Å; K64-S66 PolarHBondContact O-N 2.77Å; K64-S67 PolarHBondContact N-OG 3.39Å; K64-S67 PolarHBondContact O-N 3.05Å; K64-S67 PolarHBondContact O-OG 2.96Å |
| 65 | V | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -57.4 | -43.5 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 110 | I20 T24 L29 L59 K63 S67 Q68 L76 F78 | I20-V65 HydrophobicContact CD1-CB 3.87Å; I20-V65 HydrophobicContact CD1-CG1 4.02Å; I20-V65 HydrophobicContact CD1-CG2 4.04Å; T24-V65 PolarHBondContact O-N 3.12Å; L29-V65 HydrophobicContact CB-CG2 4.08Å; L29-V65 HydrophobicContact CD2-CG1 4.2Å; L29-V65 HydrophobicContact CD2-CG2 3.81Å; L59-V65 HydrophobicContact CD1-CG1 4.42Å; L59-V65 HydrophobicContact CD1-CG2 4.44Å; K63-V65 PolarHBondContact O-N 3.4Å; V65-S67 PolarHBondContact O-N 2.74Å; V65-S67 VanDerWaalsContact O-N 3.15Å; V65-Q68 PolarHBondContact O-N 3.4Å; V65-L76 HydrophobicContact CG1-CD1 4.48Å; V65-F78 HydrophobicContact CG1-CE2 4.33Å; V65-F78 HydrophobicContact CG1-CZ 3.68Å |
| 66 | S | 90.7 | Very high | 92.4 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -61.6 | -14.4 | 174 | 58.2 | 0 | 0 | 0 | 0 | 115.9 | P22 K64 | P22-S66 PolarHBondContact O-OG 3.32Å; K64-S66 PolarHBondContact O-N 2.77Å |
| 67 | S | 91.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 54% | 0.538 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -100.9 | 0.8 | 179.6 | 70.8 | 0 | 0 | 0 | 0 | 113.8 | K64 V65 | K64-S67 PolarHBondContact N-OG 3.39Å; K64-S67 PolarHBondContact O-N 3.05Å; K64-S67 PolarHBondContact O-OG 2.96Å; V65-S67 PolarHBondContact O-N 2.74Å; V65-S67 VanDerWaalsContact O-N 3.15Å |
| 68 | Q | 92 | Very high | 93.1 | Very high | 23 Ų | 23 | 65 Ų | 65 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -101.3 | 155.7 | 177.2 | -62.7 | -177.7 | 64.5 | 0 | 0 | 109.5 | K60 K63 V65 V70 | K60-Q68 PolarHBondContact O-NE2 3.46Å; K63-Q68 HydrophobicContact CB-CG 4.24Å; K63-Q68 PolarHBondContact O-NE2 3.38Å; V65-Q68 PolarHBondContact O-N 3.4Å; Q68-V70 HydrophobicContact CB-CG2 4.16Å; Q68-V70 PolarHBondContact O-N 3.06Å |
| 69 | D | 90.5 | Very high | 93.3 | Very high | 69 Ų | 69 | 66 Ų | 66 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | trans | -78.7 | 38.6 | -168.2 | -162.9 | 12.5 | 0 | 0 | 0 | 112.7 | D51 T52 K53 | D51-D69 CarbonylContact C-O 3.52Å; D51-D69 WeakPolarHBondContact CA-O 3.45Å; D51-D69 HydrophobicContact CB-CB 4.46Å; D51-D69 VanDerWaalsContact CB-O 3.32Å; D51-D69 WeakPolarHBondContact CB-O 3.39Å; T52-D69 WeakPolarHBondContact CB-OD1 3.29Å; T52-D69 WeakPolarHBondContact CG2-OD1 3.37Å; T52-D69 PolarHBondContact N-O 2.79Å; T52-D69 VanDerWaalsContact OG1-CG 3.26Å; T52-D69 PolarHBondContact OG1-OD1 2.93Å; T52-D69 PolarHBondContact OG1-OD2 3.31Å; K53-D69 IonicContact NZ-OD1 2.61Å; K53-D69 IonicContact NZ-OD2 3.08Å; K53-D69 PolarHBondContact NZ-OD2 2.96Å | ||
| 70 | V | 92.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 136.3 | -175.6 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | Y49 Q68 K72 L76 F78 | Y49-V70 HydrophobicContact CD2-CB 4.02Å; Y49-V70 HydrophobicContact CD2-CG1 3.97Å; Y49-V70 HydrophobicContact CD2-CG2 3.78Å; Y49-V70 HydrophobicContact CE2-CB 4.27Å; Y49-V70 HydrophobicContact CE2-CG2 3.81Å; Y49-V70 HydrophobicContact CG-CG1 4.35Å; Y49-V70 HydrophobicContact CG-CG2 4.21Å; Q68-V70 HydrophobicContact CB-CG2 4.16Å; Q68-V70 PolarHBondContact O-N 3.06Å; V70-K72 PolarHBondContact O-N 2.99Å; V70-L76 HydrophobicContact CG1-CD2 4.12Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.06Å; V70-F78 HydrophobicContact CG2-CE1 4.39Å; V70-F78 HydrophobicContact CG2-CZ 4.2Å |
| 71 | K | 91.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | trans | -55.1 | 127.1 | 172 | -174.9 | 173.6 | 175.6 | -73.1 | 0 | 110.1 | V50 D73 L76 | V50-K71 VanDerWaalsContact O-CB 3.3Å; V50-K71 WeakPolarHBondContact O-CB 3.37Å; V50-K71 PolarHBondContact O-N 2.97Å; K71-D73 IonicContact NZ-OD1 2.93Å; K71-D73 PolarHBondContact NZ-OD1 3.29Å; K71-D73 IonicContact NZ-OD2 3.21Å; K71-D73 PolarHBondContact NZ-OD2 3.48Å; K71-D73 PolarHBondContact O-N 3.25Å; K71-L76 WeakPolarHBondContact O-CD2 3.18Å | ||
| 72 | K | 88.4 | Confident | 93.8 | Very high | 190 Ų | 190 | 61.4 Ų | 61.4 | 83% | 0.826 | 31% | 0.31 | S | S | * | . | trans | -81.6 | 52.1 | -167.9 | -61.9 | -177.7 | -179.8 | 176.9 | 0 | 113.2 | V70 | V70-K72 PolarHBondContact O-N 2.99Š| ||
| 73 | D | 90.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | trans | -78.1 | 164.9 | 172.5 | -60.2 | -32.1 | 0 | 0 | 0 | 110.8 | K71 P75 L76 Q77 | K71-D73 IonicContact NZ-OD1 2.93Å; K71-D73 PolarHBondContact NZ-OD1 3.29Å; K71-D73 IonicContact NZ-OD2 3.21Å; K71-D73 PolarHBondContact NZ-OD2 3.48Å; K71-D73 PolarHBondContact O-N 3.25Å; D73-P75 CarbonylContact C-O 3.59Å; D73-P75 CarbonylContact O-C 3.26Å; D73-L76 WeakPolarHBondContact O-CD2 3.44Å; D73-L76 PolarHBondContact O-N 3.06Å; D73-Q77 HydrophobicContact CB-CG 4.47Å | ||
| 74 | N | 90.9 | Very high | 94.1 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 68% | 0.684 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -132.2 | 108.1 | 173.8 | 176.6 | 37.8 | 0 | 0 | 0 | 109.2 | N6 | N6-N74 PolarHBondContact ND2-OD1 2.96Š|
| 75 | P | 93.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 48.2 Ų | 48.2 | 16% | 0.156 | 25% | 0.247 | C | C | . | . | S | Bend | cis | -69.1 | 159.9 | -2 | 26.6 | -31.6 | 0 | 0 | 0 | 113.7 | N6 R8 E17 D73 Q77 | N6-P75 HydrophobicContact CB-CB 3.84Å; N6-P75 WeakPolarHBondContact O-CA 3.49Å; R8-P75 HydrophobicContact CB-CB 4.22Å; R8-P75 HydrophobicContact CB-CG 3.85Å; E17-P75 WeakPolarHBondContact OE1-CG 3.39Å; D73-P75 CarbonylContact C-O 3.59Å; D73-P75 CarbonylContact O-C 3.26Å; P75-Q77 PolarHBondContact O-NE2 3.05Å |
| 76 | L | 95.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 135.2 | 168.4 | -66.8 | 178.9 | 0 | 0 | 0 | 109.8 | V5 N6 V7 R8 V65 V70 K71 D73 F78 | V5-L76 HydrophobicContact CG1-CD1 3.58Å; V5-L76 HydrophobicContact CG1-CG 4.01Å; N6-L76 PolarHBondContact O-N 3.46Å; V7-L76 HydrophobicContact CG2-CB 4.44Å; R8-L76 PolarHBondContact N-O 3.2Å; V65-L76 HydrophobicContact CG1-CD1 4.48Å; V70-L76 HydrophobicContact CG1-CD2 4.12Å; K71-L76 WeakPolarHBondContact O-CD2 3.18Å; D73-L76 WeakPolarHBondContact O-CD2 3.44Å; D73-L76 PolarHBondContact O-N 3.06Å; L76-F78 HydrophobicContact CB-CE2 3.83Å |
| 77 | Q | 96.7 | Very high | 94.4 | Very high | 75 Ų | 75 | 46 Ų | 46 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.5 | -171.9 | -58.1 | -62.4 | -43.9 | 0 | 0 | 112.2 | D73 P75 | D73-Q77 HydrophobicContact CB-CG 4.47Å; P75-Q77 PolarHBondContact O-NE2 3.05Å |
| 78 | F | 97.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.6 | 171.5 | -60.1 | -92.5 | 0 | 0 | 0 | 111.3 | V7 R8 V9 T10 L29 L47 Q48 Y49 L59 V65 V70 L76 | V7-F78 HydrophobicContact CG1-CD2 3.55Å; V7-F78 HydrophobicContact CG1-CE2 3.71Å; R8-F78 PolarHBondContact O-N 2.83Å; V9-F78 WeakPolarHBondContact CA-O 3.43Å; V9-F78 HydrophobicContact CG2-CB 4.32Å; T10-F78 PolarHBondContact N-O 3.15Å; L29-F78 HydrophobicContact CD2-CD2 4.39Å; L29-F78 HydrophobicContact CD2-CE2 4.13Å; L29-F78 HydrophobicContact CD2-CZ 4.25Å; L47-F78 HydrophobicContact CB-CD1 4.46Å; L47-F78 HydrophobicContact CD2-CB 4.17Å; Q48-F78 CarbonylContact O-C 3.59Å; Q48-F78 VanDerWaalsContact O-CA 3.27Å; Q48-F78 WeakPolarHBondContact O-CA 3.28Å; Y49-F78 HydrophobicContact CD1-CD1 4.45Å; Y49-F78 HydrophobicContact CD1-CE1 4.11Å; Y49-F78 HydrophobicContact CG-CD1 4.43Å; Y49-F78 HydrophobicContact CG-CE1 4.09Å; L59-F78 HydrophobicContact CD1-CE1 3.96Å; L59-F78 HydrophobicContact CD2-CE1 4.49Å; V65-F78 HydrophobicContact CG1-CE2 4.33Å; V65-F78 HydrophobicContact CG1-CZ 3.68Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.06Å; V70-F78 HydrophobicContact CG2-CE1 4.39Å; V70-F78 HydrophobicContact CG2-CZ 4.2Å; L76-F78 HydrophobicContact CB-CE2 3.83Å |
| 79 | K | 97.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 40% | 0.404 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.7 | 166.8 | -66.3 | -170.4 | 173.5 | -165.5 | 0 | 109.9 | T10 L47 Q48 R81 | T10-K79 CarbonylContact O-C 3.56Å; T10-K79 WeakPolarHBondContact O-CA 3.44Å; L47-K79 CarbonylContact C-O 3.19Å; L47-K79 WeakPolarHBondContact CA-O 3.36Å; Q48-K79 HydrophobicContact CB-CB 4.46Å; Q48-K79 PolarHBondContact N-O 2.98Å; Q48-K79 PolarHBondContact O-N 3.48Å; K79-R81 HydrophobicContact CB-CG 4.1Å |
| 80 | F | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.8 | 165.8 | -169.5 | -93.5 | 0 | 0 | 0 | 108.2 | V9 T10 T11 F30 V33 L34 I37 F45 L47 L101 | V9-F80 HydrophobicContact CG1-CB 4.13Å; T10-F80 PolarHBondContact O-N 3.25Å; T11-F80 HydrophobicContact CG2-CB 4.21Å; F30-F80 HydrophobicContact CD2-CE2 4.23Å; F30-F80 HydrophobicContact CE2-CD2 4.33Å; F30-F80 AromaticContact CE2-CE2 3.63Å; F30-F80 HydrophobicContact CE2-CE2 3.63Å; F30-F80 HydrophobicContact CE2-CZ 4.48Å; V33-F80 HydrophobicContact CG1-CD2 3.61Å; V33-F80 HydrophobicContact CG1-CE2 3.9Å; V33-F80 HydrophobicContact CG1-CG 4.26Å; L34-F80 HydrophobicContact CD2-CE2 4.06Å; L34-F80 HydrophobicContact CD2-CZ 3.82Å; I37-F80 HydrophobicContact CD1-CD1 4.17Å; I37-F80 HydrophobicContact CD1-CE1 3.59Å; I37-F80 HydrophobicContact CD1-CE2 4.27Å; I37-F80 HydrophobicContact CD1-CZ 3.64Å; F45-F80 HydrophobicContact CB-CD1 4.1Å; F45-F80 HydrophobicContact CB-CE1 3.4Å; F45-F80 HydrophobicContact CB-CE2 3.99Å; F45-F80 HydrophobicContact CB-CZ 3.34Å; F45-F80 HydrophobicContact CD1-CD1 4.42Å; F45-F80 AromaticContact CD1-CE1 3.89Å; F45-F80 HydrophobicContact CD1-CE1 3.89Å; F45-F80 AromaticContact CD2-CE1 3.67Å; F45-F80 HydrophobicContact CD2-CE1 3.67Å; F45-F80 AromaticContact CD2-CZ 3.81Å; F45-F80 HydrophobicContact CD2-CZ 3.81Å; F45-F80 HydrophobicContact CE2-CE1 4.42Å; F45-F80 HydrophobicContact CG-CD1 4.25Å; F45-F80 AromaticContact CG-CE1 3.39Å; F45-F80 HydrophobicContact CG-CE1 3.39Å; F45-F80 AromaticContact CG-CZ 3.71Å; F45-F80 HydrophobicContact CG-CZ 3.71Å; L47-F80 HydrophobicContact CD2-CB 4.2Å; L47-F80 HydrophobicContact CD2-CD2 4.03Å; L47-F80 HydrophobicContact CG-CD2 4.49Å; F80-L101 HydrophobicContact CD1-CD1 4.41Å; F80-L101 HydrophobicContact CE1-CD1 3.98Å |
| 81 | R | 97.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 9% | 0.087 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 143.6 | -171.1 | -74.8 | -65.7 | -176.2 | -81.6 | 14.3 | 111.5 | T11 M12 F45 G46 W58 K79 K83 Q105 E108 | T11-R81 PolarHBondContact O-NH1 3.35Å; M12-R81 PolarHBondContact SD-NE 3.48Å; M12-R81 VanDerWaalsContact SD-NE 3.36Å; M12-R81 PolarHBondContact SD-NH2 3.49Å; M12-R81 VanDerWaalsContact SD-NH2 3.38Å; F45-R81 CarbonylContact C-O 3.54Å; F45-R81 WeakPolarHBondContact CA-O 3.33Å; G46-R81 PolarHBondContact N-O 3.37Å; G46-R81 PolarHBondContact O-N 2.98Å; W58-R81 HydrophobicContact CH2-CB 3.94Å; W58-R81 HydrophobicContact CZ3-CB 4.29Å; K79-R81 HydrophobicContact CB-CG 4.1Å; R81-K83 PolarHBondContact O-N 2.82Å; R81-Q105 VanDerWaalsContact CA-OE1 3.29Å; R81-E108 IonicContact CZ-OE2 2.73Å; R81-E108 IonicContact NE-OE2 3.7Å; R81-E108 PolarHBondContact NE-OE2 3.49Å; R81-E108 IonicContact NH2-OE1 3.49Å; R81-E108 IonicContact NH2-OE2 3.22Å; R81-E108 PolarHBondContact NH2-OE2 2.75Å |
| 82 | A | 96.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 122.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | F45 F102 Q105 | F45-A82 HydrophobicContact CD1-CB 3.94Å; F45-A82 HydrophobicContact CE1-CB 4.11Å; A82-F102 HydrophobicContact CB-CD1 4.22Å; A82-F102 HydrophobicContact CB-CE1 3.74Å; A82-F102 HydrophobicContact CB-CE2 4.23Å; A82-F102 HydrophobicContact CB-CZ 3.76Å; A82-Q105 PolarHBondContact O-NE2 2.94Å |
| 83 | K | 95.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 8% | 0.078 | 18% | 0.179 | C | C | . | . | trans | -100.8 | -33.4 | 178.6 | 176.7 | -172.7 | 165.3 | -148.3 | 0 | 111.2 | Y44 W58 R81 H282 L283 | Y44-K83 WeakPolarHBondContact O-CB 3.16Å; Y44-K83 PolarHBondContact O-N 2.75Å; W58-K83 HydrophobicContact CD2-CB 4.43Å; W58-K83 HydrophobicContact CD2-CD 4.07Å; W58-K83 HydrophobicContact CD2-CG 4.14Å; W58-K83 HydrophobicContact CE3-CB 4.38Å; W58-K83 HydrophobicContact CE3-CD 4.44Å; W58-K83 HydrophobicContact CG-CD 4.26Å; W58-K83 HydrophobicContact CH2-CB 3.68Å; W58-K83 HydrophobicContact CH2-CG 4.29Å; W58-K83 HydrophobicContact CZ2-CB 3.73Å; W58-K83 HydrophobicContact CZ2-CG 3.86Å; W58-K83 HydrophobicContact CZ3-CB 4.04Å; R81-K83 PolarHBondContact O-N 2.82Å; K83-H282 PolarHBondContact NZ-O 3.46Å; K83-L283 HydrophobicContact CG-CD2 4.05Å | ||
| 84 | F | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -122.6 | 154.2 | 175.3 | -52.9 | -78.2 | 0 | 0 | 0 | 109.4 | W43 Y44 F102 L283 L290 | W43-F84 WeakPolarHBondContact O-CD2 3.47Å; Y44-F84 HydrophobicContact CD1-CB 4.47Å; Y44-F84 PolarHBondContact O-N 3.23Å; F84-F102 WeakPolarHBondContact O-CZ 3.36Å; F84-L283 HydrophobicContact CE1-CD2 4.21Å; F84-L290 HydrophobicContact CB-CD1 3.52Å; F84-L290 HydrophobicContact CD1-CD1 4.4Å; F84-L290 HydrophobicContact CG-CD1 3.95Å |
| 85 | F | 97.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 10% | 0.101 | 14% | 0.141 | C | C | . | . | trans | -115.5 | 156.1 | -178.5 | -75 | -104.9 | 0 | 0 | 0 | 110.2 | F102 V106 Y201 R294 | F85-F102 HydrophobicContact CD1-CD1 4.07Å; F85-F102 AromaticContact CD1-CE1 3.63Å; F85-F102 HydrophobicContact CD1-CE1 3.63Å; F85-F102 HydrophobicContact CE1-CD1 4.07Å; F85-F102 AromaticContact CE1-CE1 3.94Å; F85-F102 HydrophobicContact CE1-CE1 3.94Å; F85-F102 HydrophobicContact CG-CE1 4.05Å; F85-V106 HydrophobicContact CE1-CG2 4Å; F85-Y201 HydrophobicContact CD1-CD1 4.43Å; F85-Y201 AromaticContact CD1-CE1 3.68Å; F85-Y201 HydrophobicContact CD1-CE1 3.68Å; F85-Y201 HydrophobicContact CD1-CE2 4.29Å; F85-Y201 AromaticContact CD1-CZ 3.61Å; F85-Y201 HydrophobicContact CE1-CE1 4.33Å; F85-Y201 HydrophobicContact CE1-CE2 4.23Å; F85-Y201 HydrophobicContact CG-CE1 4.43Å; F85-R294 PolarHBondContact O-NH2 3.23Å | ||
| 86 | P | 96.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | trans | -60.2 | 162.2 | 166.5 | 29.8 | -37.7 | 0 | 0 | 0 | 110.9 | V89 E92 L93 | P86-V89 HydrophobicContact CG-CB 4.41Å; P86-V89 HydrophobicContact CG-CG1 3.66Å; P86-E92 WeakPolarHBondContact CA-OE2 3.21Å; P86-E92 HydrophobicContact CB-CB 3.61Å; P86-E92 HydrophobicContact CB-CG 4.36Å; P86-L93 HydrophobicContact CB-CD2 4.3Å; P86-L93 HydrophobicContact CB-CG 4.49Å; P86-L93 HydrophobicContact CG-CD1 4.42Å; P86-L93 HydrophobicContact CG-CD2 3.82Å; P86-L93 HydrophobicContact CG-CG 3.92Å | ||
| 87 | E | 93.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -73.1 | -58.5 | 157.9 | -75.1 | 169.7 | -128.4 | 0 | 0 | 108.8 | E92 A222 L223 Y291 R294 R295 R513 | E87-E92 WeakPolarHBondContact CA-OE1 3.41Å; E87-E92 WeakPolarHBondContact CB-OE1 3.33Å; E87-E92 PolarHBondContact N-OE1 3.28Å; E87-A222 HydrophobicContact CG-CB 3.98Å; E87-L223 HydrophobicContact CB-CD2 4.2Å; E87-L223 HydrophobicContact CG-CD2 3.76Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.48Å; E87-R294 WeakPolarHBondContact OE1-CD 3.5Å; E87-R294 IonicContact OE1-CZ 2.68Å; E87-R294 IonicContact OE1-NE 3.45Å; E87-R294 PolarHBondContact OE1-NE 3.3Å; E87-R294 IonicContact OE1-NH1 2.91Å; E87-R294 PolarHBondContact OE1-NH1 3.07Å; E87-R295 IonicContact OE1-CZ 2.7Å; E87-R295 IonicContact OE1-NH1 2.64Å; E87-R295 PolarHBondContact OE1-NH1 2.77Å; E87-R295 IonicContact OE1-NH2 2.7Å; E87-R295 IonicContact OE2-CZ 3.13Å; E87-R295 IonicContact OE2-NH1 2.71Å; E87-R295 PolarHBondContact OE2-NH1 2.8Å; E87-R295 IonicContact OE2-NH2 3.42Å; E87-R295 PolarHBondContact OE2-NH2 3.38Å; E87-R513 VanDerWaalsContact C-NH1 3.33Å; E87-R513 VanDerWaalsContact O-CZ 3.27Å; E87-R513 PolarHBondContact O-NH1 3.37Å; E87-R513 PolarHBondContact O-NH2 3Å |
| 88 | D | 94.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -122.1 | 119.2 | 174.3 | -154.4 | -31.9 | 0 | 0 | 0 | 112.7 | S90 E91 E92 Q196 R513 K519 | D88-S90 PolarHBondContact O-N 3.49Å; D88-S90 VanDerWaalsContact O-N 3.16Å; D88-E91 PolarHBondContact O-N 2.96Å; D88-E91 VanDerWaalsContact O-N 3.16Å; D88-E92 PolarHBondContact N-OE1 2.89Å; D88-E92 WeakPolarHBondContact O-CB 3.42Å; D88-E92 PolarHBondContact O-N 3.45Å; D88-Q196 PolarHBondContact OD1-NE2 2.84Å; D88-Q196 PolarHBondContact OD1-OE1 3.19Å; D88-R513 VanDerWaalsContact CG-NH2 3.26Å; D88-R513 IonicContact OD1-NH2 3.04Å; D88-R513 IonicContact OD2-CZ 2.83Å; D88-R513 IonicContact OD2-NE 3.68Å; D88-R513 PolarHBondContact OD2-NE 3.3Å; D88-R513 IonicContact OD2-NH2 3.97Å; D88-R513 PolarHBondContact OD2-NH2 2.96Å; D88-K519 IonicContact OD2-NZ 2.85Å; D88-K519 PolarHBondContact OD2-NZ 2.62Å |
| 89 | V | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -30.6 | -172.5 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | P86 E91 L93 L189 L192 K193 Q196 Y201 | P86-V89 HydrophobicContact CG-CB 4.41Å; P86-V89 HydrophobicContact CG-CG1 3.66Å; V89-E91 VanDerWaalsContact C-N 3.34Å; V89-L93 HydrophobicContact CB-CD1 3.89Å; V89-L93 HydrophobicContact CB-CG 4.08Å; V89-L93 HydrophobicContact CG1-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CG 4.28Å; V89-L93 VanDerWaalsContact O-CB 3.32Å; V89-L93 WeakPolarHBondContact O-CB 3.36Å; V89-L93 PolarHBondContact O-N 3.34Å; V89-L189 HydrophobicContact CB-CD1 4.42Å; V89-L189 HydrophobicContact CG2-CD1 4.18Å; V89-L192 HydrophobicContact CB-CB 4.35Å; V89-L192 HydrophobicContact CG1-CB 4.21Å; V89-L192 HydrophobicContact CG2-CB 4.13Å; V89-K193 HydrophobicContact CG2-CB 4.38Å; V89-K193 HydrophobicContact CG2-CG 3.82Å; V89-Q196 HydrophobicContact CG1-CB 4.29Å; V89-Q196 HydrophobicContact CG2-CG 4.46Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.49Å |
| 90 | S | 91.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 26.3 Ų | 26.3 | 36% | 0.357 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -83.6 | -5.9 | -177.2 | 60.9 | 0 | 0 | 0 | 0 | 114.9 | D88 | D88-S90 PolarHBondContact O-N 3.49Å; D88-S90 VanDerWaalsContact O-N 3.16Å |
| 91 | E | 90.3 | Very high | 95.5 | Very high | 136 Ų | 136 | 26.4 Ų | 26.4 | 64% | 0.636 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -113.6 | -12.4 | 178.1 | -60.2 | -75 | 153.1 | 0 | 0 | 112 | D88 V89 | D88-E91 PolarHBondContact O-N 2.96Å; D88-E91 VanDerWaalsContact O-N 3.16Å; V89-E91 VanDerWaalsContact C-N 3.34Å |
| 92 | E | 93.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 25.4 Ų | 25.4 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -138.3 | -10.8 | -165.3 | -81 | -171.8 | -108.6 | 0 | 0 | 116.4 | Y44 P86 E87 D88 I94 R294 | Y44-E92 PolarHBondContact OH-O 3.18Å; Y44-E92 PolarHBondContact OH-OE2 2.94Å; P86-E92 WeakPolarHBondContact CA-OE2 3.21Å; P86-E92 HydrophobicContact CB-CB 3.61Å; P86-E92 HydrophobicContact CB-CG 4.36Å; E87-E92 WeakPolarHBondContact CA-OE1 3.41Å; E87-E92 WeakPolarHBondContact CB-OE1 3.33Å; E87-E92 PolarHBondContact N-OE1 3.28Å; D88-E92 PolarHBondContact N-OE1 2.89Å; D88-E92 WeakPolarHBondContact O-CB 3.42Å; D88-E92 PolarHBondContact O-N 3.45Å; E92-I94 WeakPolarHBondContact O-CD1 3.3Å; E92-I94 WeakPolarHBondContact O-CG1 3.47Å; E92-R294 IonicContact OE1-CZ 3.13Å; E92-R294 IonicContact OE1-NE 2.84Å; E92-R294 PolarHBondContact OE1-NE 2.98Å; E92-R294 VanDerWaalsContact OE1-NE 3.17Å; E92-R294 IonicContact OE1-NH2 3.15Å; E92-R294 IonicContact OE2-CZ 2.62Å; E92-R294 IonicContact OE2-NE 2.65Å; E92-R294 PolarHBondContact OE2-NE 2.7Å; E92-R294 IonicContact OE2-NH2 2.77Å; E92-R294 PolarHBondContact OE2-NH2 2.97Å |
| 93 | L | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | trans | -97.3 | 126.7 | 175 | -71.3 | -168.7 | 0 | 0 | 0 | 111.8 | Y44 P86 V89 T98 Q99 F102 L192 | Y44-L93 HydrophobicContact CD2-CD2 4.12Å; Y44-L93 HydrophobicContact CE2-CD2 3.65Å; P86-L93 HydrophobicContact CB-CD2 4.3Å; P86-L93 HydrophobicContact CB-CG 4.49Å; P86-L93 HydrophobicContact CG-CD1 4.42Å; P86-L93 HydrophobicContact CG-CD2 3.82Å; P86-L93 HydrophobicContact CG-CG 3.92Å; V89-L93 HydrophobicContact CB-CD1 3.89Å; V89-L93 HydrophobicContact CB-CG 4.08Å; V89-L93 HydrophobicContact CG1-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CG 4.28Å; V89-L93 VanDerWaalsContact O-CB 3.32Å; V89-L93 WeakPolarHBondContact O-CB 3.36Å; V89-L93 PolarHBondContact O-N 3.34Å; L93-T98 HydrophobicContact CD2-CG2 4.43Å; L93-Q99 HydrophobicContact CB-CG 3.93Å; L93-Q99 PolarHBondContact O-NE2 2.85Å; L93-F102 HydrophobicContact CD1-CB 3.96Å; L93-F102 HydrophobicContact CD1-CD1 4.41Å; L93-F102 HydrophobicContact CD1-CD2 4.2Å; L93-F102 HydrophobicContact CD1-CG 3.94Å; L93-F102 HydrophobicContact CD2-CD2 3.68Å; L93-F102 HydrophobicContact CD2-CE1 4.46Å; L93-F102 HydrophobicContact CD2-CE2 3.63Å; L93-F102 HydrophobicContact CD2-CG 4.13Å; L93-F102 HydrophobicContact CD2-CZ 4.02Å; L93-L192 HydrophobicContact CD1-CD1 3.7Å | ||
| 94 | I | 95 | Very high | 95.7 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | trans | -104.2 | -103.4 | -149.4 | -20 | -169 | 0 | 0 | 0 | 104.3 | W43 Y44 E92 Q99 E489 D490 N491 | W43-I94 HydrophobicContact CH2-CD1 3.9Å; W43-I94 HydrophobicContact CZ2-CD1 3.32Å; Y44-I94 HydrophobicContact CE2-CD1 4.34Å; Y44-I94 HydrophobicContact CE2-CG1 4.44Å; E92-I94 WeakPolarHBondContact O-CD1 3.3Å; E92-I94 WeakPolarHBondContact O-CG1 3.47Å; I94-Q99 PolarHBondContact O-NE2 3.39Å; I94-E489 VanDerWaalsContact CA-CB 3.47Å; I94-E489 HydrophobicContact CB-CB 4.05Å; I94-E489 HydrophobicContact CG2-CB 3.63Å; I94-E489 HydrophobicContact CG2-CG 4.06Å; I94-E489 WeakPolarHBondContact CG2-OE2 3.37Å; I94-E489 WeakPolarHBondContact O-CB 3.29Å; I94-D490 WeakPolarHBondContact CB-O 3.36Å; I94-N491 HydrophobicContact CD1-CB 3.91Å; I94-N491 HydrophobicContact CG1-CB 4.5Å | ||
| 95 | Q | 94.5 | Very high | 95.8 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | trans | -56.6 | 155.2 | -171.4 | -141.4 | 130.7 | 36.9 | 0 | 0 | 116 | G38 I97 T98 Q99 S488 E489 D490 | G38-Q95 PolarHBondContact O-OE1 3.48Å; Q95-I97 HydrophobicContact CB-CB 4.39Å; Q95-I97 HydrophobicContact CB-CG2 3.53Å; Q95-I97 HydrophobicContact CG-CB 4.37Å; Q95-I97 HydrophobicContact CG-CG2 3.5Å; Q95-I97 VanDerWaalsContact CG-CG2 3.5Å; Q95-I97 PolarHBondContact O-N 3.42Å; Q95-T98 CarbonylContact O-C 3.55Å; Q95-T98 WeakPolarHBondContact O-CA 3.16Å; Q95-T98 WeakPolarHBondContact O-CB 3.25Å; Q95-T98 PolarHBondContact O-N 3.12Å; Q95-Q99 WeakPolarHBondContact O-CB 3.42Å; Q95-Q99 WeakPolarHBondContact O-CG 3.42Å; Q95-Q99 PolarHBondContact O-N 2.93Å; Q95-S488 CarbonylContact C-O 3.41Å; Q95-S488 VanDerWaalsContact CA-O 3.26Å; Q95-S488 WeakPolarHBondContact CA-O 3.21Å; Q95-E489 WeakPolarHBondContact CA-O 3.49Å; Q95-E489 VanDerWaalsContact CB-O 3.31Å; Q95-E489 WeakPolarHBondContact CB-O 3.34Å; Q95-E489 WeakPolarHBondContact CG-O 3.25Å; Q95-E489 PolarHBondContact NE2-O 2.99Å; Q95-D490 VanDerWaalsContact CB-CA 3.48Å; Q95-D490 HydrophobicContact CB-CB 4.5Å; Q95-D490 HydrophobicContact CG-CB 4.48Å; Q95-D490 PolarHBondContact N-O 3.43Å | ||
| 96 | E | 93.3 | Very high | 95.8 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 24% | 0.243 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -38.5 | -53.6 | 148.3 | -69.5 | 170.4 | -113 | 0 | 0 | 112.1 | T98 K100 E185 K316 D487 S488 | E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 3.46Å; E96-K100 WeakPolarHBondContact O-CA 3.46Å; E96-K100 WeakPolarHBondContact O-CB 3.45Å; E96-K100 PolarHBondContact O-N 3.46Å; E96-E185 HydrophobicContact CG-CG 3.83Å; E96-K316 IonicContact OE1-NZ 3.24Å; E96-K316 PolarHBondContact OE1-NZ 3.47Å; E96-K316 IonicContact OE2-NZ 2.75Å; E96-K316 PolarHBondContact OE2-NZ 3.07Å; E96-D487 WeakPolarHBondContact CG-O 3.22Å; E96-S488 PolarHBondContact N-O 2.73Å; E96-S488 PolarHBondContact OE1-N 2.91Å |
| 97 | I | 95.4 | Very high | 95.9 | Very high | 31 Ų | 31 | 29.1 Ų | 29.1 | 16% | 0.159 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -28.6 | 175.7 | -173.1 | 58.1 | 0 | 0 | 0 | 113.2 | V39 Q95 K100 L101 | V39-I97 HydrophobicContact CG2-CG1 4.12Å; V39-I97 HydrophobicContact CG2-CG2 3.6Å; Q95-I97 HydrophobicContact CB-CB 4.39Å; Q95-I97 HydrophobicContact CB-CG2 3.53Å; Q95-I97 HydrophobicContact CG-CB 4.37Å; Q95-I97 HydrophobicContact CG-CG2 3.5Å; Q95-I97 VanDerWaalsContact CG-CG2 3.5Å; Q95-I97 PolarHBondContact O-N 3.42Å; I97-K100 HydrophobicContact CD1-CD 4.04Å; I97-L101 HydrophobicContact CD1-CD1 4.19Å; I97-L101 HydrophobicContact CD1-CG 4.03Å; I97-L101 HydrophobicContact CG1-CD1 3.95Å; I97-L101 HydrophobicContact CG1-CG 4.28Å; I97-L101 VanDerWaalsContact O-CB 3.25Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CD1 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.2Å; I97-L101 PolarHBondContact O-N 3.13Å |
| 98 | T | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -80.5 | -51.9 | -178.7 | -68 | 0 | 0 | 0 | 0 | 110.8 | Y44 F45 L93 Q95 E96 K100 L101 F102 D490 N491 | Y44-T98 HydrophobicContact CD2-CG2 4.47Å; F45-T98 HydrophobicContact CE2-CG2 3.92Å; F45-T98 HydrophobicContact CZ-CG2 3.85Å; L93-T98 HydrophobicContact CD2-CG2 4.43Å; Q95-T98 CarbonylContact O-C 3.55Å; Q95-T98 WeakPolarHBondContact O-CA 3.16Å; Q95-T98 WeakPolarHBondContact O-CB 3.25Å; Q95-T98 PolarHBondContact O-N 3.12Å; E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 3.46Å; T98-K100 VanDerWaalsContact C-N 3.28Å; T98-K100 PolarHBondContact O-N 2.89Å; T98-L101 PolarHBondContact O-N 3.27Å; T98-F102 HydrophobicContact CG2-CD2 4.08Å; T98-F102 HydrophobicContact CG2-CE2 4.24Å; T98-F102 WeakPolarHBondContact O-CB 3.28Å; T98-F102 WeakPolarHBondContact O-CD2 3.3Å; T98-F102 PolarHBondContact O-N 2.88Å; T98-D490 WeakPolarHBondContact CB-O 3.43Å; T98-D490 PolarHBondContact OG1-O 3.46Å; T98-N491 PolarHBondContact OG1-O 2.7Å |
| 99 | Q | 97 | Very high | 96.3 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.8 | -47.2 | 166.6 | -65 | 178 | 33.7 | 0 | 0 | 110.4 | L93 I94 Q95 F102 F103 | L93-Q99 HydrophobicContact CB-CG 3.93Å; L93-Q99 PolarHBondContact O-NE2 2.85Å; I94-Q99 PolarHBondContact O-NE2 3.39Å; Q95-Q99 WeakPolarHBondContact O-CB 3.42Å; Q95-Q99 WeakPolarHBondContact O-CG 3.42Å; Q95-Q99 PolarHBondContact O-N 2.93Å; Q99-F102 PolarHBondContact O-N 2.73Å; Q99-F103 WeakPolarHBondContact O-CB 3.49Å; Q99-F103 PolarHBondContact O-N 2.93Å |
| 100 | K | 97.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 32% | 0.322 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 174.8 | -178.3 | -170.9 | -177.7 | -158.5 | 0 | 113.1 | D13 E96 I97 T98 F103 L104 M188 | D13-K100 WeakPolarHBondContact OD2-CE 3.47Å; D13-K100 IonicContact OD2-NZ 3.81Å; D13-K100 PolarHBondContact OD2-NZ 3.5Å; E96-K100 WeakPolarHBondContact O-CA 3.46Å; E96-K100 WeakPolarHBondContact O-CB 3.45Å; E96-K100 PolarHBondContact O-N 3.46Å; I97-K100 HydrophobicContact CD1-CD 4.04Å; T98-K100 VanDerWaalsContact C-N 3.28Å; T98-K100 PolarHBondContact O-N 2.89Å; K100-F103 PolarHBondContact O-N 2.92Å; K100-L104 HydrophobicContact CG-CD1 3.99Å; K100-L104 HydrophobicContact CG-CG 4.44Å; K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 VanDerWaalsContact O-CG 3.25Å; K100-L104 WeakPolarHBondContact O-CG 3.29Å; K100-L104 PolarHBondContact O-N 3.22Å; K100-M188 HydrophobicContact CB-CE 3.98Å; K100-M188 HydrophobicContact CB-SD 3.72Å; K100-M188 HydrophobicContact CG-CE 4.45Å; K100-M188 HydrophobicContact CG-SD 3.87Å |
| 101 | L | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 178.1 | -75.4 | 168.6 | 0 | 0 | 0 | 111.8 | M12 I37 V39 F45 F80 I97 T98 Q105 | M12-L101 HydrophobicContact CB-CD2 3.91Å; M12-L101 HydrophobicContact CG-CD2 3.9Å; I37-L101 HydrophobicContact CD1-CD1 4.37Å; V39-L101 HydrophobicContact CG2-CD1 4.33Å; F45-L101 HydrophobicContact CE1-CB 3.6Å; F45-L101 HydrophobicContact CE1-CD1 4.19Å; F45-L101 HydrophobicContact CE2-CD1 4.19Å; F45-L101 HydrophobicContact CZ-CB 3.65Å; F45-L101 HydrophobicContact CZ-CD1 3.89Å; F45-L101 HydrophobicContact CZ-CG 4.45Å; F80-L101 HydrophobicContact CD1-CD1 4.41Å; F80-L101 HydrophobicContact CE1-CD1 3.98Å; I97-L101 HydrophobicContact CD1-CD1 4.19Å; I97-L101 HydrophobicContact CD1-CG 4.03Å; I97-L101 HydrophobicContact CG1-CD1 3.95Å; I97-L101 HydrophobicContact CG1-CG 4.28Å; I97-L101 VanDerWaalsContact O-CB 3.25Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CD1 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.2Å; I97-L101 PolarHBondContact O-N 3.13Å; T98-L101 PolarHBondContact O-N 3.27Å; L101-Q105 VanDerWaalsContact O-CB 3.3Å; L101-Q105 WeakPolarHBondContact O-CB 3.44Å; L101-Q105 PolarHBondContact O-N 2.98Å |
| 102 | F | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.7 | -50.1 | 171.9 | -93.2 | -86.7 | 0 | 0 | 0 | 111.9 | Y44 F45 A82 F84 F85 L93 T98 Q99 L104 Q105 V106 L192 | Y44-F102 HydrophobicContact CD1-CZ 4.4Å; Y44-F102 AromaticContact CD2-CE2 3.49Å; Y44-F102 HydrophobicContact CD2-CE2 3.49Å; Y44-F102 VanDerWaalsContact CD2-CE2 3.49Å; Y44-F102 AromaticContact CD2-CZ 3.77Å; Y44-F102 HydrophobicContact CD2-CZ 3.77Å; Y44-F102 HydrophobicContact CE2-CE2 4.31Å; Y44-F102 AromaticContact CG-CE2 3.88Å; Y44-F102 HydrophobicContact CG-CE2 3.88Å; Y44-F102 AromaticContact CG-CZ 3.74Å; Y44-F102 HydrophobicContact CG-CZ 3.74Å; F45-F102 AromaticContact CE1-CD2 3.9Å; F45-F102 HydrophobicContact CE1-CD2 3.9Å; F45-F102 AromaticContact CE1-CE2 3.91Å; F45-F102 HydrophobicContact CE1-CE2 3.91Å; F45-F102 AromaticContact CZ-CD2 3.83Å; F45-F102 HydrophobicContact CZ-CD2 3.83Å; F45-F102 AromaticContact CZ-CE2 3.88Å; F45-F102 HydrophobicContact CZ-CE2 3.88Å; A82-F102 HydrophobicContact CB-CD1 4.22Å; A82-F102 HydrophobicContact CB-CE1 3.74Å; A82-F102 HydrophobicContact CB-CE2 4.23Å; A82-F102 HydrophobicContact CB-CZ 3.76Å; F84-F102 WeakPolarHBondContact O-CZ 3.36Å; F85-F102 HydrophobicContact CD1-CD1 4.07Å; F85-F102 AromaticContact CD1-CE1 3.63Å; F85-F102 HydrophobicContact CD1-CE1 3.63Å; F85-F102 HydrophobicContact CE1-CD1 4.07Å; F85-F102 AromaticContact CE1-CE1 3.94Å; F85-F102 HydrophobicContact CE1-CE1 3.94Å; F85-F102 HydrophobicContact CG-CE1 4.05Å; L93-F102 HydrophobicContact CD1-CB 3.96Å; L93-F102 HydrophobicContact CD1-CD1 4.41Å; L93-F102 HydrophobicContact CD1-CD2 4.2Å; L93-F102 HydrophobicContact CD1-CG 3.94Å; L93-F102 HydrophobicContact CD2-CD2 3.68Å; L93-F102 HydrophobicContact CD2-CE1 4.46Å; L93-F102 HydrophobicContact CD2-CE2 3.63Å; L93-F102 HydrophobicContact CD2-CG 4.13Å; L93-F102 HydrophobicContact CD2-CZ 4.02Å; T98-F102 HydrophobicContact CG2-CD2 4.08Å; T98-F102 HydrophobicContact CG2-CE2 4.24Å; T98-F102 WeakPolarHBondContact O-CB 3.28Å; T98-F102 WeakPolarHBondContact O-CD2 3.3Å; T98-F102 PolarHBondContact O-N 2.88Å; Q99-F102 PolarHBondContact O-N 2.73Å; F102-L104 PolarHBondContact O-N 3.35Å; F102-Q105 PolarHBondContact O-N 3.46Å; F102-V106 WeakPolarHBondContact O-CB 3.3Å; F102-V106 VanDerWaalsContact O-CG2 3.25Å; F102-V106 WeakPolarHBondContact O-CG2 3.32Å; F102-V106 PolarHBondContact O-N 2.89Å; F102-L192 HydrophobicContact CB-CD1 3.91Å; F102-L192 HydrophobicContact CB-CD2 4.24Å |
| 103 | F | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.5 | -51.4 | 177.4 | 157.9 | -103.2 | 0 | 0 | 0 | 110.9 | Q99 K100 Q105 V106 K107 A129 A132 M188 Y191 L192 | Q99-F103 WeakPolarHBondContact O-CB 3.49Å; Q99-F103 PolarHBondContact O-N 2.93Å; K100-F103 PolarHBondContact O-N 2.92Å; F103-Q105 PolarHBondContact O-N 3.46Å; F103-V106 PolarHBondContact O-N 3.45Å; F103-K107 HydrophobicContact CE2-CD 4.16Å; F103-K107 HydrophobicContact CZ-CD 3.94Å; F103-K107 WeakPolarHBondContact O-CB 3.49Å; F103-K107 PolarHBondContact O-N 3.2Å; F103-A129 HydrophobicContact CE2-CB 3.98Å; F103-A129 HydrophobicContact CZ-CB 3.87Å; F103-A132 HydrophobicContact CE1-CB 4.28Å; F103-A132 HydrophobicContact CE2-CB 4.44Å; F103-A132 HydrophobicContact CZ-CB 3.89Å; F103-M188 HydrophobicContact CB-CB 3.93Å; F103-M188 HydrophobicContact CB-CG 4.05Å; F103-M188 HydrophobicContact CB-SD 4.36Å; F103-M188 HydrophobicContact CD1-CB 4.31Å; F103-M188 HydrophobicContact CD1-CG 3.49Å; F103-M188 VanDerWaalsContact CD1-CG 3.49Å; F103-M188 HydrophobicContact CD1-SD 3.54Å; F103-M188 VanDerWaalsContact CD1-SD 3.54Å; F103-M188 HydrophobicContact CD2-CB 4.19Å; F103-M188 HydrophobicContact CD2-CG 3.97Å; F103-M188 HydrophobicContact CE1-CG 3.84Å; F103-M188 HydrophobicContact CE1-SD 4.05Å; F103-M188 HydrophobicContact CE2-CG 4.28Å; F103-M188 HydrophobicContact CG-CB 3.9Å; F103-M188 HydrophobicContact CG-CG 3.57Å; F103-M188 HydrophobicContact CG-SD 4.09Å; F103-M188 HydrophobicContact CZ-CG 4.22Å; F103-Y191 AromaticContact CD2-CD1 3.63Å; F103-Y191 HydrophobicContact CD2-CD1 3.63Å; F103-Y191 HydrophobicContact CD2-CD2 4.01Å; F103-Y191 HydrophobicContact CD2-CE1 4.24Å; F103-Y191 AromaticContact CD2-CG 3.55Å; F103-Y191 HydrophobicContact CD2-CG 3.55Å; F103-Y191 HydrophobicContact CE2-CD1 4.09Å; F103-Y191 AromaticContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CE2 4.06Å; F103-Y191 AromaticContact CE2-CG 3.64Å; F103-Y191 HydrophobicContact CE2-CG 3.64Å; F103-L192 HydrophobicContact CB-CD1 4.11Å; F103-L192 HydrophobicContact CB-CG 4.32Å |
| 104 | L | 98.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 20% | 0.204 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.4 | -68.9 | 174.5 | 0 | 0 | 0 | 111.9 | M12 D13 K100 F102 E108 | M12-L104 HydrophobicContact CB-CB 3.58Å; M12-L104 HydrophobicContact CB-CD1 3.68Å; M12-L104 HydrophobicContact CB-CG 4.29Å; M12-L104 HydrophobicContact CE-CB 4Å; M12-L104 WeakPolarHBondContact CE-O 3.49Å; M12-L104 HydrophobicContact CG-CB 3.82Å; D13-L104 HydrophobicContact CB-CD1 4.08Å; K100-L104 HydrophobicContact CG-CD1 3.99Å; K100-L104 HydrophobicContact CG-CG 4.44Å; K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 VanDerWaalsContact O-CG 3.25Å; K100-L104 WeakPolarHBondContact O-CG 3.29Å; K100-L104 PolarHBondContact O-N 3.22Å; F102-L104 PolarHBondContact O-N 3.35Å; L104-E108 WeakPolarHBondContact O-CB 3.29Å; L104-E108 PolarHBondContact O-N 2.93Å |
| 105 | Q | 98.3 | Very high | 97.3 | Very high | 32 Ų | 32 | 34 Ų | 34 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.9 | -42.4 | 178 | -178.7 | 172.5 | -41.5 | 0 | 0 | 112.6 | M12 R81 A82 L101 F102 F103 K107 E108 G109 | M12-Q105 HydrophobicContact CG-CB 4.34Å; M12-Q105 HydrophobicContact SD-CB 3.79Å; M12-Q105 HydrophobicContact SD-CG 4.42Å; R81-Q105 VanDerWaalsContact CA-OE1 3.29Å; A82-Q105 PolarHBondContact O-NE2 2.94Å; L101-Q105 VanDerWaalsContact O-CB 3.3Å; L101-Q105 WeakPolarHBondContact O-CB 3.44Å; L101-Q105 PolarHBondContact O-N 2.98Å; F102-Q105 PolarHBondContact O-N 3.46Å; F103-Q105 PolarHBondContact O-N 3.46Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-E108 WeakPolarHBondContact O-CB 3.4Å; Q105-E108 PolarHBondContact O-N 3.27Å; Q105-G109 PolarHBondContact O-N 2.82Å |
| 106 | V | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.9 | 175 | 0 | 0 | 0 | 0 | 109.9 | F85 F102 F103 G109 I110 I115 Y191 L192 Y201 | F85-V106 HydrophobicContact CE1-CG2 4Å; F102-V106 WeakPolarHBondContact O-CB 3.3Å; F102-V106 VanDerWaalsContact O-CG2 3.25Å; F102-V106 WeakPolarHBondContact O-CG2 3.32Å; F102-V106 PolarHBondContact O-N 2.89Å; F103-V106 PolarHBondContact O-N 3.45Å; V106-G109 PolarHBondContact O-N 3.35Å; V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 HydrophobicContact CG1-CG1 4.39Å; V106-I110 WeakPolarHBondContact O-CB 3.49Å; V106-I110 WeakPolarHBondContact O-CG1 3.45Å; V106-I110 PolarHBondContact O-N 2.67Å; V106-I115 HydrophobicContact CG1-CD1 4.33Å; V106-Y191 HydrophobicContact CG1-CE1 4.17Å; V106-L192 HydrophobicContact CB-CD2 4.07Å; V106-L192 HydrophobicContact CG1-CD2 4.41Å; V106-L192 HydrophobicContact CG2-CD2 3.85Å; V106-Y201 HydrophobicContact CG1-CD2 4.08Å; V106-Y201 HydrophobicContact CG1-CE2 4.01Å; V106-Y201 HydrophobicContact CG2-CD2 4.32Å; V106-Y201 HydrophobicContact CG2-CE2 3.72Å |
| 107 | K | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 172.2 | -167.1 | 173.6 | 86.7 | 77.9 | 0 | 112.7 | F103 Q105 L111 A129 Y191 | F103-K107 HydrophobicContact CE2-CD 4.16Å; F103-K107 HydrophobicContact CZ-CD 3.94Å; F103-K107 WeakPolarHBondContact O-CB 3.49Å; F103-K107 PolarHBondContact O-N 3.2Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; K107-L111 HydrophobicContact CD-CD1 4.44Å; K107-L111 HydrophobicContact CG-CD1 3.72Å; K107-L111 HydrophobicContact CG-CG 4.16Å; K107-L111 VanDerWaalsContact O-CB 3.23Å; K107-L111 WeakPolarHBondContact O-CB 3.41Å; K107-L111 WeakPolarHBondContact O-CD1 3.22Å; K107-L111 WeakPolarHBondContact O-CG 3.33Å; K107-L111 PolarHBondContact O-N 3.45Å; K107-A129 HydrophobicContact CD-CB 3.61Å; K107-Y191 WeakPolarHBondContact CA-OH 3.21Å; K107-Y191 HydrophobicContact CB-CE1 4.25Å; K107-Y191 HydrophobicContact CD-CE2 4.31Å; K107-Y191 HydrophobicContact CG-CE2 4.36Å |
| 108 | E | 97.7 | Very high | 97.8 | Very high | 90 Ų | 90 | 28.5 Ų | 28.5 | 42% | 0.421 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.9 | -48.7 | 170.1 | -179.5 | 172.8 | -134.6 | 0 | 0 | 110.2 | M12 R81 L104 Q105 G112 | M12-E108 HydrophobicContact CE-CB 3.97Å; M12-E108 WeakPolarHBondContact CE-OE2 3.36Å; R81-E108 IonicContact CZ-OE2 2.73Å; R81-E108 IonicContact NE-OE2 3.7Å; R81-E108 PolarHBondContact NE-OE2 3.49Å; R81-E108 IonicContact NH2-OE1 3.49Å; R81-E108 IonicContact NH2-OE2 3.22Å; R81-E108 PolarHBondContact NH2-OE2 2.75Å; L104-E108 WeakPolarHBondContact O-CB 3.29Å; L104-E108 PolarHBondContact O-N 2.93Å; Q105-E108 WeakPolarHBondContact O-CB 3.4Å; Q105-E108 PolarHBondContact O-N 3.27Å; E108-G112 PolarHBondContact O-N 3.07Å |
| 109 | G | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.1 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q105 V106 D113 E114 I115 | Q105-G109 PolarHBondContact O-N 2.82Å; V106-G109 PolarHBondContact O-N 3.35Å; G109-D113 PolarHBondContact O-N 3.39Å; G109-E114 WeakPolarHBondContact O-CB 3.43Å; G109-E114 PolarHBondContact O-N 2.9Å; G109-I115 PolarHBondContact O-N 2.88Å; G109-I115 VanDerWaalsContact O-N 3.14Å |
| 110 | I | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.5 | -49.6 | 176.7 | -72.3 | 173.1 | 0 | 0 | 0 | 110.6 | V106 G112 D113 I115 C117 L125 P154 Y191 L198 | V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 HydrophobicContact CG1-CG1 4.39Å; V106-I110 WeakPolarHBondContact O-CB 3.49Å; V106-I110 WeakPolarHBondContact O-CG1 3.45Å; V106-I110 PolarHBondContact O-N 2.67Å; I110-G112 PolarHBondContact O-N 3.25Å; I110-D113 PolarHBondContact O-N 3.5Å; I110-I115 HydrophobicContact CG1-CB 3.87Å; I110-I115 HydrophobicContact CG1-CD1 4.36Å; I110-I115 HydrophobicContact CG1-CG2 3.94Å; I110-C117 HydrophobicContact CG2-CB 3.79Å; I110-L125 HydrophobicContact CD1-CD1 3.78Å; I110-P154 HydrophobicContact CG2-CG 4.24Å; I110-P154 WeakPolarHBondContact O-CG 3.1Å; I110-Y191 HydrophobicContact CD1-CE1 4.4Å; I110-L198 HydrophobicContact CD1-CD1 3.68Å; I110-L198 HydrophobicContact CG1-CD1 4.25Å |
| 111 | L | 97.9 | Very high | 97.9 | Very high | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.073 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -29.2 | 179.5 | -67.4 | 173.8 | 0 | 0 | 0 | 112.2 | K107 D113 R151 M152 L153 | K107-L111 HydrophobicContact CD-CD1 4.44Å; K107-L111 HydrophobicContact CG-CD1 3.72Å; K107-L111 HydrophobicContact CG-CG 4.16Å; K107-L111 VanDerWaalsContact O-CB 3.23Å; K107-L111 WeakPolarHBondContact O-CB 3.41Å; K107-L111 WeakPolarHBondContact O-CD1 3.22Å; K107-L111 WeakPolarHBondContact O-CG 3.33Å; K107-L111 PolarHBondContact O-N 3.45Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-R151 HydrophobicContact CB-CG 4.36Å; L111-R151 HydrophobicContact CD1-CB 4.31Å; L111-R151 HydrophobicContact CD1-CG 4.17Å; L111-R151 WeakPolarHBondContact CD1-O 3.47Å; L111-R151 HydrophobicContact CD2-CG 4.38Å; L111-R151 WeakPolarHBondContact CD2-O 3.42Å; L111-R151 VanDerWaalsContact O-CZ 3.25Å; L111-R151 PolarHBondContact O-NE 2.86Å; L111-R151 PolarHBondContact O-NH2 3.37Å; L111-M152 WeakPolarHBondContact CD2-O 3.44Å; L111-L153 VanDerWaalsContact CD2-C 3.49Å |
| 112 | G | 97.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 27 Ų | 27 | 37% | 0.371 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E108 I110 E114 | E108-G112 PolarHBondContact O-N 3.07Å; I110-G112 PolarHBondContact O-N 3.25Å; G112-E114 PolarHBondContact O-N 2.92Å |
| 113 | D | 96.2 | Very high | 97.9 | Very high | 55 Ų | 55 | 27 Ų | 27 | 29% | 0.294 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 23.2 | -170.5 | -76.7 | -68.7 | 0 | 0 | 0 | 113.6 | G109 I110 L111 P154 R156 | G109-D113 PolarHBondContact O-N 3.39Å; I110-D113 PolarHBondContact O-N 3.5Å; L111-D113 VanDerWaalsContact C-N 3.31Å; D113-P154 VanDerWaalsContact OD2-CB 3.28Å; D113-P154 WeakPolarHBondContact OD2-CB 3.44Å; D113-R156 IonicContact OD1-CZ 2.87Å; D113-R156 VanDerWaalsContact OD1-CZ 3.23Å; D113-R156 IonicContact OD1-NE 3.54Å; D113-R156 PolarHBondContact OD1-NE 3.38Å; D113-R156 IonicContact OD1-NH2 2.87Å; D113-R156 PolarHBondContact OD1-NH2 2.98Å |
| 114 | E | 96.2 | Very high | 97.8 | Very high | 151 Ų | 151 | 26.4 Ų | 26.4 | 71% | 0.706 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -72.8 | -37.1 | 167.9 | -62.3 | -165.9 | 154.5 | 0 | 0 | 111.2 | G109 G112 M200 | G109-E114 WeakPolarHBondContact O-CB 3.43Å; G109-E114 PolarHBondContact O-N 2.9Å; G112-E114 PolarHBondContact O-N 2.92Å; E114-M200 VanDerWaalsContact O-CE 3.31Å; E114-M200 WeakPolarHBondContact O-CE 3.25Å |
| 115 | I | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -105.7 | 118.8 | 170.1 | -59.1 | 173.9 | 0 | 0 | 0 | 106.8 | V106 G109 I110 C117 L198 M200 | V106-I115 HydrophobicContact CG1-CD1 4.33Å; G109-I115 PolarHBondContact O-N 2.88Å; G109-I115 VanDerWaalsContact O-N 3.14Å; I110-I115 HydrophobicContact CG1-CB 3.87Å; I110-I115 HydrophobicContact CG1-CD1 4.36Å; I110-I115 HydrophobicContact CG1-CG2 3.94Å; I115-C117 PolarHBondContact O-N 3.33Å; I115-L198 HydrophobicContact CG2-CB 4.36Å; I115-L198 HydrophobicContact CG2-CD1 4.01Å; I115-M200 HydrophobicContact CG2-CB 4.2Å |
| 116 | Y | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | trans | -62.8 | 135.8 | 172.4 | 175.3 | -95.4 | 0 | 0 | 0 | 110.7 | P118 M200 L234 N546 D547 H550 | Y116-P118 HydrophobicContact CE1-CB 4.34Å; Y116-M200 VanDerWaalsContact CB-SD 3.52Å; Y116-M200 PolarHBondContact N-SD 3.5Å; Y116-L234 HydrophobicContact CD1-CD1 4.01Å; Y116-L234 HydrophobicContact CD1-CD2 3.98Å; Y116-L234 HydrophobicContact CE1-CD1 4.26Å; Y116-L234 HydrophobicContact CG-CD1 4.45Å; Y116-L234 HydrophobicContact CG-CD2 4.06Å; Y116-N546 HydrophobicContact CD2-CB 3.38Å; Y116-N546 HydrophobicContact CE2-CB 3.65Å; Y116-N546 HydrophobicContact CG-CB 4Å; Y116-D547 WeakPolarHBondContact CE2-OD1 3.25Å; Y116-D547 WeakPolarHBondContact OH-CA 3.39Å; Y116-D547 PolarHBondContact OH-OD1 3.46Å; Y116-H550 HydrophobicContact CE1-CB 3.57Å; Y116-H550 AromaticContact CE1-CG 3.59Å; Y116-H550 AromaticContact CE1-ND1 3.84Å | ||
| 117 | C | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -141.7 | 127.5 | 175.8 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | I110 I115 R156 L198 | I110-C117 HydrophobicContact CG2-CB 3.79Å; I115-C117 PolarHBondContact O-N 3.33Å; C117-R156 PolarHBondContact O-NH1 2.98Å; C117-R156 PolarHBondContact O-NH2 3.33Å; C117-L198 HydrophobicContact CB-CD1 4.04Å; C117-L198 HydrophobicContact CB-CD2 4.47Å | ||
| 118 | P | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | trans | -70.1 | 156.2 | 178.5 | 31.3 | -36.2 | 0 | 0 | 0 | 111.3 | Y116 E120 T121 A122 | Y116-P118 HydrophobicContact CE1-CB 4.34Å; P118-E120 PolarHBondContact O-N 3.37Å; P118-T121 PolarHBondContact O-N 2.88Å; P118-A122 WeakPolarHBondContact O-CB 3.26Å; P118-A122 PolarHBondContact O-N 2.86Å | ||
| 119 | P | 97.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.019 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -52.8 | -46.7 | -173.3 | -30.3 | 37.3 | 0 | 0 | 0 | 115.6 | A122 V123 V157 L534 | P119-A122 PolarHBondContact O-N 3.08Å; P119-V123 WeakPolarHBondContact O-CG2 3.39Å; P119-V123 PolarHBondContact O-N 2.85Å; P119-V157 HydrophobicContact CB-CG1 4.06Å; P119-L534 HydrophobicContact CB-CD1 3.82Å |
| 120 | E | 96.9 | Very high | 97.9 | Very high | 34 Ų | 34 | 17.7 Ų | 17.7 | 16% | 0.159 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 179.8 | 48.5 | -91.3 | -103 | 0 | 0 | 111.8 | P118 A122 V123 L124 L527 L530 T531 L534 | P118-E120 PolarHBondContact O-N 3.37Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.24Å; E120-V123 PolarHBondContact O-N 3.11Å; E120-L124 PolarHBondContact O-N 3.32Å; E120-L124 VanDerWaalsContact O-N 3.07Å; E120-L527 HydrophobicContact CB-CD2 4.32Å; E120-L527 HydrophobicContact CG-CD2 4.4Å; E120-L530 HydrophobicContact CB-CB 3.79Å; E120-T531 WeakPolarHBondContact CG-OG1 3.33Å; E120-T531 WeakPolarHBondContact OE1-CB 3.35Å; E120-T531 WeakPolarHBondContact OE1-CG2 3.07Å; E120-T531 PolarHBondContact OE1-OG1 2.91Å; E120-L534 HydrophobicContact CB-CD1 4.49Å |
| 121 | T | 98.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 9% | 0.092 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 176.7 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | P118 V123 L124 L125 I194 L198 | P118-T121 PolarHBondContact O-N 2.88Å; T121-V123 VanDerWaalsContact C-N 3.35Å; T121-V123 PolarHBondContact O-N 2.88Å; T121-L124 PolarHBondContact O-N 3.39Å; T121-L125 HydrophobicContact CG2-CD1 3.88Å; T121-L125 HydrophobicContact CG2-CG 4.06Å; T121-L125 WeakPolarHBondContact O-CB 3.49Å; T121-L125 WeakPolarHBondContact O-CG 3.28Å; T121-L125 PolarHBondContact O-N 2.9Å; T121-I194 HydrophobicContact CG2-CG2 3.59Å; T121-L198 HydrophobicContact CG2-CD2 4.3Å |
| 122 | A | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.033 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P118 P119 E120 A126 L153 P154 V157 | P118-A122 WeakPolarHBondContact O-CB 3.26Å; P118-A122 PolarHBondContact O-N 2.86Å; P119-A122 PolarHBondContact O-N 3.08Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.24Å; A122-A126 VanDerWaalsContact O-CB 3.29Å; A122-A126 WeakPolarHBondContact O-CB 3.48Å; A122-A126 PolarHBondContact O-N 3.03Å; A122-L153 HydrophobicContact CB-CD2 3.98Å; A122-L153 WeakPolarHBondContact O-CD2 3.28Å; A122-P154 HydrophobicContact CB-CG 4.38Å; A122-V157 HydrophobicContact CB-CG1 4.46Å; A122-V157 HydrophobicContact CB-CG2 4.08Å |
| 123 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.7 | -43.9 | 175.3 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | P119 E120 T121 A126 S127 L153 W168 I172 L530 L534 | P119-V123 WeakPolarHBondContact O-CG2 3.39Å; P119-V123 PolarHBondContact O-N 2.85Å; E120-V123 PolarHBondContact O-N 3.11Å; T121-V123 VanDerWaalsContact C-N 3.35Å; T121-V123 PolarHBondContact O-N 2.88Å; V123-A126 WeakPolarHBondContact O-CB 3.22Å; V123-A126 PolarHBondContact O-N 3.25Å; V123-S127 PolarHBondContact O-N 3.49Å; V123-L153 HydrophobicContact CG2-CD1 4.42Å; V123-L153 HydrophobicContact CG2-CD2 4.1Å; V123-W168 HydrophobicContact CG2-CE3 4.2Å; V123-W168 HydrophobicContact CG2-CH2 4.49Å; V123-W168 HydrophobicContact CG2-CZ3 3.57Å; V123-I172 HydrophobicContact CG1-CG1 3.99Å; V123-L530 HydrophobicContact CB-CD1 4.4Å; V123-L530 HydrophobicContact CB-CD2 3.87Å; V123-L530 HydrophobicContact CG1-CD1 4.37Å; V123-L530 HydrophobicContact CG1-CD2 3.49Å; V123-L530 VanDerWaalsContact CG1-CD2 3.49Å; V123-L534 HydrophobicContact CG2-CD1 4.07Å |
| 124 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 177 | -175.8 | 56.8 | 0 | 0 | 0 | 110.9 | E120 T121 A126 S127 Y128 I194 V523 Q526 L527 L530 | E120-L124 PolarHBondContact O-N 3.32Å; E120-L124 VanDerWaalsContact O-N 3.07Å; T121-L124 PolarHBondContact O-N 3.39Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 3.04Å; L124-S127 PolarHBondContact O-N 3.36Å; L124-S127 VanDerWaalsContact O-N 3.13Å; L124-S127 PolarHBondContact O-OG 3.45Å; L124-Y128 HydrophobicContact CD1-CD2 4.3Å; L124-Y128 HydrophobicContact CD1-CE2 3.73Å; L124-Y128 HydrophobicContact CD2-CE2 4.4Å; L124-Y128 HydrophobicContact CG-CD2 4.2Å; L124-Y128 HydrophobicContact CG-CE2 3.76Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.33Å; L124-Y128 PolarHBondContact O-N 3.04Å; L124-I194 HydrophobicContact CD2-CD1 3.96Å; L124-I194 HydrophobicContact CG-CD1 4.32Å; L124-V523 HydrophobicContact CD2-CG1 4.24Å; L124-Q526 HydrophobicContact CD1-CB 4.18Å; L124-Q526 HydrophobicContact CD2-CB 4.1Å; L124-L527 HydrophobicContact CB-CD2 4.19Å; L124-L527 HydrophobicContact CD2-CD2 3.68Å; L124-L527 HydrophobicContact CD2-CG 3.85Å; L124-L530 HydrophobicContact CB-CD1 3.78Å |
| 125 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 173.2 | -73.3 | -179.8 | 0 | 0 | 0 | 112.2 | I110 T121 S127 Y128 A129 Y191 I194 S195 | I110-L125 HydrophobicContact CD1-CD1 3.78Å; T121-L125 HydrophobicContact CG2-CD1 3.88Å; T121-L125 HydrophobicContact CG2-CG 4.06Å; T121-L125 WeakPolarHBondContact O-CB 3.49Å; T121-L125 WeakPolarHBondContact O-CG 3.28Å; T121-L125 PolarHBondContact O-N 2.9Å; L125-S127 VanDerWaalsContact C-N 3.32Å; L125-S127 PolarHBondContact O-N 3.49Å; L125-Y128 PolarHBondContact O-N 2.8Å; L125-A129 WeakPolarHBondContact O-CB 3.4Å; L125-A129 PolarHBondContact O-N 3.47Å; L125-Y191 HydrophobicContact CB-CD2 3.96Å; L125-Y191 HydrophobicContact CB-CE2 3.54Å; L125-Y191 HydrophobicContact CD2-CD1 4.07Å; L125-Y191 HydrophobicContact CD2-CD2 3.76Å; L125-Y191 HydrophobicContact CD2-CE1 4.26Å; L125-Y191 HydrophobicContact CD2-CE2 3.99Å; L125-Y191 HydrophobicContact CD2-CG 3.77Å; L125-Y191 VanDerWaalsContact CD2-O 3.22Å; L125-Y191 WeakPolarHBondContact CD2-O 3.23Å; L125-Y191 HydrophobicContact CG-CD2 4.43Å; L125-Y191 HydrophobicContact CG-CE2 4.24Å; L125-Y191 WeakPolarHBondContact O-CD2 3.4Å; L125-Y191 WeakPolarHBondContact O-CE2 3.33Å; L125-I194 HydrophobicContact CD2-CB 3.92Å; L125-I194 HydrophobicContact CD2-CG2 3.86Å; L125-I194 HydrophobicContact CG-CG2 4.22Å; L125-S195 WeakPolarHBondContact CD2-OG 3.4Å |
| 126 | A | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 4% | 0.041 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A122 V123 L124 A129 V130 M152 L153 I172 | A122-A126 VanDerWaalsContact O-CB 3.29Å; A122-A126 WeakPolarHBondContact O-CB 3.48Å; A122-A126 PolarHBondContact O-N 3.03Å; V123-A126 WeakPolarHBondContact O-CB 3.22Å; V123-A126 PolarHBondContact O-N 3.25Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 3.04Å; A126-A129 WeakPolarHBondContact O-CB 3.19Å; A126-A129 PolarHBondContact O-N 2.61Å; A126-A129 VanDerWaalsContact O-N 3.16Å; A126-V130 WeakPolarHBondContact O-CG2 3.08Å; A126-V130 PolarHBondContact O-N 2.89Å; A126-M152 HydrophobicContact CB-CE 4.24Å; A126-M152 WeakPolarHBondContact CB-O 3.48Å; A126-L153 HydrophobicContact CB-CD2 4.08Å; A126-I172 HydrophobicContact CB-CD1 3.83Å; A126-I172 HydrophobicContact CB-CG1 4.16Å; A126-I172 HydrophobicContact CB-CG2 4.16Å |
| 127 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 177.9 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | V123 L124 L125 A129 V130 Q131 W175 H179 | V123-S127 PolarHBondContact O-N 3.49Å; L124-S127 PolarHBondContact O-N 3.36Å; L124-S127 VanDerWaalsContact O-N 3.13Å; L124-S127 PolarHBondContact O-OG 3.45Å; L125-S127 VanDerWaalsContact C-N 3.32Å; L125-S127 PolarHBondContact O-N 3.49Å; S127-A129 VanDerWaalsContact C-N 3.29Å; S127-A129 PolarHBondContact O-N 2.8Å; S127-V130 PolarHBondContact O-N 3.26Å; S127-V130 VanDerWaalsContact O-N 3.15Å; S127-Q131 PolarHBondContact O-N 3.08Å; S127-W175 VanDerWaalsContact CB-CB 3.45Å; S127-H179 PolarHBondContact OG-NE2 2.9Å |
| 128 | Y | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -37.7 | 171.5 | -74.5 | -67.3 | 0 | 0 | 0 | 112 | L124 L125 V130 Q131 A132 H179 M182 E190 I194 | L124-Y128 HydrophobicContact CD1-CD2 4.3Å; L124-Y128 HydrophobicContact CD1-CE2 3.73Å; L124-Y128 HydrophobicContact CD2-CE2 4.4Å; L124-Y128 HydrophobicContact CG-CD2 4.2Å; L124-Y128 HydrophobicContact CG-CE2 3.76Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.33Å; L124-Y128 PolarHBondContact O-N 3.04Å; L125-Y128 PolarHBondContact O-N 2.8Å; Y128-V130 VanDerWaalsContact C-N 3.3Å; Y128-V130 PolarHBondContact O-N 2.97Å; Y128-Q131 PolarHBondContact O-N 2.84Å; Y128-A132 VanDerWaalsContact O-CB 3.32Å; Y128-A132 WeakPolarHBondContact O-CB 3.35Å; Y128-A132 PolarHBondContact O-N 3.09Å; Y128-H179 AromaticContact CD1-CD2 3.98Å; Y128-H179 AromaticContact CD1-CE1 3.77Å; Y128-H179 AromaticContact CD1-NE2 3.71Å; Y128-H179 AromaticContact CE1-CE1 3.26Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.37Å; Y128-H179 AromaticContact CE1-ND1 3.51Å; Y128-H179 AromaticContact CE1-NE2 3.71Å; Y128-H179 AromaticContact CE2-CE1 3.82Å; Y128-H179 AromaticContact CG-NE2 3.88Å; Y128-H179 AromaticContact CZ-CE1 3.29Å; Y128-H179 AromaticContact CZ-ND1 3.92Å; Y128-H179 AromaticContact CZ-NE2 3.87Å; Y128-M182 HydrophobicContact CD1-SD 3.89Å; Y128-M182 HydrophobicContact CE1-CE 3.92Å; Y128-M182 HydrophobicContact CE1-SD 3.69Å; Y128-E190 HydrophobicContact CD1-CB 3.93Å; Y128-E190 HydrophobicContact CE1-CB 3.66Å; Y128-E190 HydrophobicContact CE1-CG 4.19Å; Y128-I194 HydrophobicContact CD2-CD1 4.14Å; Y128-I194 HydrophobicContact CE2-CD1 3.51Å |
| 129 | A | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.2 | -23.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | F103 K107 L125 A126 S127 K133 Y191 | F103-A129 HydrophobicContact CE2-CB 3.98Å; F103-A129 HydrophobicContact CZ-CB 3.87Å; K107-A129 HydrophobicContact CD-CB 3.61Å; L125-A129 WeakPolarHBondContact O-CB 3.4Å; L125-A129 PolarHBondContact O-N 3.47Å; A126-A129 WeakPolarHBondContact O-CB 3.19Å; A126-A129 PolarHBondContact O-N 2.61Å; A126-A129 VanDerWaalsContact O-N 3.16Å; S127-A129 VanDerWaalsContact C-N 3.29Å; S127-A129 PolarHBondContact O-N 2.8Å; A129-K133 WeakPolarHBondContact O-CB 3.4Å; A129-K133 PolarHBondContact O-N 3.41Å; A129-Y191 HydrophobicContact CB-CD2 4.15Å; A129-Y191 HydrophobicContact CB-CE2 4Å |
| 130 | V | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.3 | -52.5 | 169 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | A126 S127 Y128 A132 K133 F134 Y146 L147 M152 I172 H176 | A126-V130 WeakPolarHBondContact O-CG2 3.08Å; A126-V130 PolarHBondContact O-N 2.89Å; S127-V130 PolarHBondContact O-N 3.26Å; S127-V130 VanDerWaalsContact O-N 3.15Å; Y128-V130 VanDerWaalsContact C-N 3.3Å; Y128-V130 PolarHBondContact O-N 2.97Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.48Å; V130-K133 PolarHBondContact O-N 3.26Å; V130-F134 HydrophobicContact CB-CD2 4.47Å; V130-F134 HydrophobicContact CG1-CD2 3.61Å; V130-F134 HydrophobicContact CG1-CE2 4.2Å; V130-F134 HydrophobicContact CG1-CG 4.39Å; V130-F134 WeakPolarHBondContact O-CD2 3.49Å; V130-F134 PolarHBondContact O-N 2.94Å; V130-Y146 HydrophobicContact CG1-CE2 4.04Å; V130-L147 HydrophobicContact CG1-CD2 4.02Å; V130-L147 HydrophobicContact CG2-CD1 3.96Å; V130-L147 HydrophobicContact CG2-CD2 3.85Å; V130-M152 HydrophobicContact CG2-CE 3.54Å; V130-I172 HydrophobicContact CG2-CG2 3.93Å; V130-H176 HydrophobicContact CB-CB 4.49Å; V130-H176 HydrophobicContact CG1-CB 4.37Å; V130-H176 WeakPolarHBondContact CG1-CE1 3.49Å; V130-H176 VanDerWaalsContact CG1-ND1 3.35Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.43Å |
| 131 | Q | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.8 | -45.1 | 176.9 | -176.1 | 72.2 | 23.2 | 0 | 0 | 111.3 | S127 Y128 K133 G135 D136 H176 H179 M182 A187 | S127-Q131 PolarHBondContact O-N 3.08Å; Y128-Q131 PolarHBondContact O-N 2.84Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 3.39Å; Q131-G135 WeakPolarHBondContact O-CA 3.44Å; Q131-G135 PolarHBondContact O-N 3.16Å; Q131-G135 PolarHBondContact OE1-O 3.4Å; Q131-D136 PolarHBondContact NE2-OD1 3.49Å; Q131-H176 PolarHBondContact OE1-CD2 2.74Å; Q131-H179 HydrophobicContact CB-CB 4.1Å; Q131-H179 HydrophobicContact CG-CB 3.86Å; Q131-H179 PolarHBondContact NE2-O 3.24Å; Q131-M182 HydrophobicContact CG-CB 4.14Å; Q131-M182 PolarHBondContact NE2-O 3Å; Q131-A187 HydrophobicContact CB-CB 4.1Å; Q131-A187 HydrophobicContact CG-CB 3.89Å |
| 132 | A | 97.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -29.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F103 Y128 V130 R184 A187 M188 | F103-A132 HydrophobicContact CE1-CB 4.28Å; F103-A132 HydrophobicContact CE2-CB 4.44Å; F103-A132 HydrophobicContact CZ-CB 3.89Å; Y128-A132 VanDerWaalsContact O-CB 3.32Å; Y128-A132 WeakPolarHBondContact O-CB 3.35Å; Y128-A132 PolarHBondContact O-N 3.09Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.48Å; A132-R184 WeakPolarHBondContact O-CD 3.44Å; A132-R184 WeakPolarHBondContact O-CG 3.31Å; A132-A187 HydrophobicContact CB-CB 4.14Å; A132-M188 HydrophobicContact CB-CG 3.7Å |
| 133 | K | 95.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 48.1 Ų | 48.1 | 47% | 0.465 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -91.9 | -44.5 | -178.6 | 174.8 | 166.1 | 169.1 | 165.4 | 0 | 112.9 | A129 V130 Q131 E150 | A129-K133 WeakPolarHBondContact O-CB 3.4Å; A129-K133 PolarHBondContact O-N 3.41Å; V130-K133 PolarHBondContact O-N 3.26Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 3.39Å; K133-E150 IonicContact NZ-OE1 2.81Å; K133-E150 PolarHBondContact NZ-OE1 2.98Å; K133-E150 IonicContact NZ-OE2 3.96Å; K133-E150 PolarHBondContact NZ-OE2 3.21Å |
| 134 | F | 95.8 | Very high | 96 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -96.9 | -33.3 | -171.6 | -66.5 | -88.8 | 0 | 0 | 0 | 112 | V130 H142 L147 R184 | V130-F134 HydrophobicContact CB-CD2 4.47Å; V130-F134 HydrophobicContact CG1-CD2 3.61Å; V130-F134 HydrophobicContact CG1-CE2 4.2Å; V130-F134 HydrophobicContact CG1-CG 4.39Å; V130-F134 WeakPolarHBondContact O-CD2 3.49Å; V130-F134 PolarHBondContact O-N 2.94Å; F134-H142 AromaticContact CD1-NE2 3.97Å; F134-L147 HydrophobicContact CE2-CD2 3.77Å; F134-L147 HydrophobicContact CZ-CD2 4.16Å; F134-R184 PolarHBondContact O-NH2 3.02Å |
| 135 | G | 95.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | trans | 95.1 | -159.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q131 H176 | Q131-G135 WeakPolarHBondContact O-CA 3.44Å; Q131-G135 PolarHBondContact O-N 3.16Å; Q131-G135 PolarHBondContact OE1-O 3.4Å; G135-H176 PolarHBondContact O-NE2 3.41Å | ||
| 136 | D | 95.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -61.8 | 139.7 | 179.9 | -62.8 | -44.8 | 0 | 0 | 0 | 112.3 | Q131 D138 S180 G181 R320 | Q131-D136 PolarHBondContact NE2-OD1 3.49Å; D136-D138 PolarHBondContact O-N 2.95Å; D136-S180 WeakPolarHBondContact OD1-CA 3.46Å; D136-G181 PolarHBondContact OD1-N 2.95Å; D136-R320 IonicContact OD1-NH2 3.44Å; D136-R320 IonicContact OD2-NH2 3.87Å; D136-R320 PolarHBondContact OD2-NH2 2.84Å |
| 137 | Y | 96.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | trans | -60.6 | 135.9 | 172.7 | 177.3 | -111.9 | 0 | 0 | 0 | 111.8 | K139 H142 Q173 H176 E177 | Y137-K139 HydrophobicContact CE1-CB 4.49Å; Y137-H142 HydrophobicContact CD2-CB 3.75Å; Y137-H142 HydrophobicContact CE2-CB 3.59Å; Y137-Q173 HydrophobicContact CD2-CG 4.13Å; Y137-Q173 HydrophobicContact CE2-CG 3.56Å; Y137-Q173 PolarHBondContact OH-NE2 3.09Å; Y137-H176 AromaticContact CD2-ND1 3.78Å; Y137-E177 HydrophobicContact CD1-CB 3.77Å; Y137-E177 HydrophobicContact CD1-CG 3.75Å; Y137-E177 HydrophobicContact CE1-CB 4.39Å; Y137-E177 HydrophobicContact CE1-CG 4.27Å; Y137-E177 HydrophobicContact CG-CB 4.34Å | ||
| 138 | D | 93.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | trans | -140.7 | 121 | 180 | 178.2 | -42.4 | 0 | 0 | 0 | 108 | D136 E140 V141 H142 | D136-D138 PolarHBondContact O-N 2.95Å; D138-E140 VanDerWaalsContact C-N 3.34Å; D138-E140 PolarHBondContact O-N 2.62Å; D138-E140 PolarHBondContact OD1-N 2.91Å; D138-V141 HydrophobicContact CB-CB 4.28Å; D138-V141 HydrophobicContact CB-CG2 4.32Å; D138-V141 PolarHBondContact O-N 3.26Å; D138-V141 PolarHBondContact OD1-N 3.07Å; D138-H142 PolarHBondContact N-ND1 3.48Å; D138-H142 VanDerWaalsContact O-CB 3.23Å; D138-H142 WeakPolarHBondContact O-CB 3.48Å; D138-H142 PolarHBondContact O-N 2.89Å; D138-H142 PolarHBondContact O-ND1 3.5Å | ||
| 139 | K | 93.1 | Very high | 94.5 | Very high | 172 Ų | 172 | 66.4 Ų | 66.4 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -21.8 | -173.5 | -174.2 | 174.4 | 179.4 | 175.6 | 0 | 114.6 | Y137 | Y137-K139 HydrophobicContact CE1-CB 4.49Š|
| 140 | E | 93.1 | Very high | 94.1 | Very high | 157 Ų | 157 | 68.1 Ų | 68.1 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -33.5 | 178.1 | -57.6 | -150.2 | 123 | 0 | 0 | 111.7 | D138 R143 | D138-E140 VanDerWaalsContact C-N 3.34Å; D138-E140 PolarHBondContact O-N 2.62Å; D138-E140 PolarHBondContact OD1-N 2.91Å; E140-R143 PolarHBondContact O-NE 3.42Å; E140-R143 PolarHBondContact O-NH2 2.96Å |
| 141 | V | 93.3 | Very high | 93.9 | Very high | 101 Ų | 101 | 74.7 Ų | 74.7 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -53.6 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | D138 R143 | D138-V141 HydrophobicContact CB-CB 4.28Å; D138-V141 HydrophobicContact CB-CG2 4.32Å; D138-V141 PolarHBondContact O-N 3.26Å; D138-V141 PolarHBondContact OD1-N 3.07Å; V141-R143 VanDerWaalsContact C-N 3.33Å; V141-R143 PolarHBondContact O-N 3.41Å |
| 142 | H | 95.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 76.3 Ų | 76.3 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -88.9 | 68.4 | -171.3 | -55.6 | 93.7 | 0 | 0 | 0 | 111.1 | F134 Y137 D138 Y146 | F134-H142 AromaticContact CD1-NE2 3.97Å; Y137-H142 HydrophobicContact CD2-CB 3.75Å; Y137-H142 HydrophobicContact CE2-CB 3.59Å; D138-H142 PolarHBondContact N-ND1 3.48Å; D138-H142 VanDerWaalsContact O-CB 3.23Å; D138-H142 WeakPolarHBondContact O-CB 3.48Å; D138-H142 PolarHBondContact O-N 2.89Å; D138-H142 PolarHBondContact O-ND1 3.5Å; H142-Y146 HydrophobicContact CB-CD1 4.06Å; H142-Y146 HydrophobicContact CB-CD2 3.99Å; H142-Y146 HydrophobicContact CB-CE1 4.13Å; H142-Y146 HydrophobicContact CB-CE2 4.03Å; H142-Y146 HydrophobicContact CB-CG 3.98Å; H142-Y146 AromaticContact CD2-CD2 3.56Å; H142-Y146 AromaticContact CD2-CE2 3.67Å |
| 143 | R | 93.1 | Very high | 93.5 | Very high | 173 Ų | 173 | 75.7 Ų | 75.7 | 65% | 0.653 | 39% | 0.386 | S | S | * | . | trans | -74.6 | 154.9 | 178.9 | -57.9 | 179.1 | -171.8 | -163.6 | -2.3 | 110.9 | E140 V141 G145 Y146 | E140-R143 PolarHBondContact O-NE 3.42Å; E140-R143 PolarHBondContact O-NH2 2.96Å; V141-R143 VanDerWaalsContact C-N 3.33Å; V141-R143 PolarHBondContact O-N 3.41Å; R143-G145 PolarHBondContact O-N 3.32Å; R143-Y146 WeakPolarHBondContact O-CB 3.36Å; R143-Y146 WeakPolarHBondContact O-CD1 3.33Å; R143-Y146 PolarHBondContact O-N 2.84Å | ||
| 144 | P | 93.2 | Very high | 93.6 | Very high | 126 Ų | 126 | 70.7 Ų | 70.7 | 82% | 0.818 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 128.7 | 178.7 | -28.3 | 35.6 | 0 | 0 | 0 | 112.9 | ||
| 145 | G | 92.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 73 Ų | 73 | 37% | 0.371 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | 1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R143 L147 V148 E169 | R143-G145 PolarHBondContact O-N 3.32Å; G145-L147 PolarHBondContact O-N 2.86Å; G145-V148 WeakPolarHBondContact O-CB 3.16Å; G145-V148 WeakPolarHBondContact O-CG1 3.2Å; G145-V148 PolarHBondContact O-N 3.23Å; G145-E169 VanDerWaalsContact C-OE1 3.29Å; G145-E169 VanDerWaalsContact CA-OE1 3.25Å; G145-E169 WeakPolarHBondContact CA-OE1 3.39Å; G145-E169 WeakPolarHBondContact CA-OE2 3.31Å; G145-E169 PolarHBondContact N-OE1 3.4Å |
| 146 | Y | 94.6 | Very high | 93.6 | Very high | 30 Ų | 30 | 73.5 Ų | 73.5 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.6 | 179.7 | 79 | -78.1 | 0 | 0 | 0 | 113.6 | V130 H142 R143 E169 Q173 H176 | V130-Y146 HydrophobicContact CG1-CE2 4.04Å; H142-Y146 HydrophobicContact CB-CD1 4.06Å; H142-Y146 HydrophobicContact CB-CD2 3.99Å; H142-Y146 HydrophobicContact CB-CE1 4.13Å; H142-Y146 HydrophobicContact CB-CE2 4.03Å; H142-Y146 HydrophobicContact CB-CG 3.98Å; H142-Y146 AromaticContact CD2-CD2 3.56Å; H142-Y146 AromaticContact CD2-CE2 3.67Å; R143-Y146 WeakPolarHBondContact O-CB 3.36Å; R143-Y146 WeakPolarHBondContact O-CD1 3.33Å; R143-Y146 PolarHBondContact O-N 2.84Å; Y146-E169 WeakPolarHBondContact CD1-OE1 3.26Å; Y146-E169 PolarHBondContact N-OE1 2.99Å; Y146-Q173 HydrophobicContact CE1-CB 4.4Å; Y146-Q173 HydrophobicContact CE1-CG 4.12Å; Y146-H176 AromaticContact CZ-ND1 3.96Å; Y146-H176 PolarHBondContact OH-ND1 3.19Å |
| 147 | L | 93.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 3.9 | 176.7 | -59.7 | 178.8 | 0 | 0 | 0 | 113.5 | V130 F134 G145 S149 E150 M152 E169 I172 | V130-L147 HydrophobicContact CG1-CD2 4.02Å; V130-L147 HydrophobicContact CG2-CD1 3.96Å; V130-L147 HydrophobicContact CG2-CD2 3.85Å; F134-L147 HydrophobicContact CE2-CD2 3.77Å; F134-L147 HydrophobicContact CZ-CD2 4.16Å; G145-L147 PolarHBondContact O-N 2.86Å; L147-S149 PolarHBondContact O-N 2.88Å; L147-E150 HydrophobicContact CD2-CG 4.36Å; L147-E150 WeakPolarHBondContact O-CB 3.42Å; L147-E150 PolarHBondContact O-N 2.98Å; L147-M152 HydrophobicContact CB-CG 4.39Å; L147-M152 HydrophobicContact CB-SD 3.99Å; L147-M152 HydrophobicContact CD1-CE 3.72Å; L147-M152 HydrophobicContact CD1-SD 4.22Å; L147-M152 HydrophobicContact CD2-CE 4.39Å; L147-M152 HydrophobicContact CD2-SD 4.13Å; L147-M152 HydrophobicContact CG-CE 4.45Å; L147-M152 HydrophobicContact CG-SD 4.34Å; L147-E169 HydrophobicContact CB-CG 4.05Å; L147-E169 HydrophobicContact CD1-CG 4.13Å; L147-E169 HydrophobicContact CG-CG 4.29Å; L147-E169 PolarHBondContact N-OE1 2.99Å; L147-I172 HydrophobicContact CD1-CG2 4.36Å |
| 148 | V | 89.8 | Confident | 93.7 | Very high | 108 Ų | 108 | 72.1 Ų | 72.1 | 66% | 0.655 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.5 | -174.6 | 79.9 | 0 | 0 | 0 | 0 | 114.2 | G145 E150 | G145-V148 WeakPolarHBondContact O-CB 3.16Å; G145-V148 WeakPolarHBondContact O-CG1 3.2Å; G145-V148 PolarHBondContact O-N 3.23Å; V148-E150 VanDerWaalsContact C-N 3.33Å |
| 149 | S | 88.6 | Confident | 93.7 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.3 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | L147 | L147-S149 PolarHBondContact O-N 2.88Š|
| 150 | E | 90.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 23% | 0.234 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -99.6 | 139.6 | -165 | -58.1 | -54 | 125.6 | 0 | 0 | 112.7 | K133 L147 V148 M152 | K133-E150 IonicContact NZ-OE1 2.81Å; K133-E150 PolarHBondContact NZ-OE1 2.98Å; K133-E150 IonicContact NZ-OE2 3.96Å; K133-E150 PolarHBondContact NZ-OE2 3.21Å; L147-E150 HydrophobicContact CD2-CG 4.36Å; L147-E150 WeakPolarHBondContact O-CB 3.42Å; L147-E150 PolarHBondContact O-N 2.98Å; V148-E150 VanDerWaalsContact C-N 3.33Å; E150-M152 VanDerWaalsContact C-N 3.35Å; E150-M152 HydrophobicContact CB-CG 4.14Å; E150-M152 HydrophobicContact CB-SD 3.4Å; E150-M152 WeakPolarHBondContact CB-SD 3.37Å; E150-M152 HydrophobicContact CG-SD 4.29Å; E150-M152 PolarHBondContact O-N 3.2Å; E150-M152 VanDerWaalsContact O-N 3.07Å |
| 151 | R | 93 | Very high | 94 | Very high | 142 Ų | 142 | 58.4 Ų | 58.4 | 54% | 0.536 | 30% | 0.303 | S | S | . | . | trans | -79.7 | 89.6 | 165.9 | -171 | -179.8 | -178.5 | 162.1 | 2.4 | 108.3 | L111 | L111-R151 HydrophobicContact CB-CG 4.36Å; L111-R151 HydrophobicContact CD1-CB 4.31Å; L111-R151 HydrophobicContact CD1-CG 4.17Å; L111-R151 WeakPolarHBondContact CD1-O 3.47Å; L111-R151 HydrophobicContact CD2-CG 4.38Å; L111-R151 WeakPolarHBondContact CD2-O 3.42Å; L111-R151 VanDerWaalsContact O-CZ 3.25Å; L111-R151 PolarHBondContact O-NE 2.86Å; L111-R151 PolarHBondContact O-NH2 3.37Å | ||
| 152 | M | 90.1 | Very high | 94 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 17% | 0.167 | 30% | 0.302 | C | S | . | . | trans | -75.3 | -41.7 | -173.4 | -63.4 | -53.8 | -60.6 | 0 | 0 | 114 | L111 A126 V130 L147 E150 I172 | L111-M152 WeakPolarHBondContact CD2-O 3.44Å; A126-M152 HydrophobicContact CB-CE 4.24Å; A126-M152 WeakPolarHBondContact CB-O 3.48Å; V130-M152 HydrophobicContact CG2-CE 3.54Å; L147-M152 HydrophobicContact CB-CG 4.39Å; L147-M152 HydrophobicContact CB-SD 3.99Å; L147-M152 HydrophobicContact CD1-CE 3.72Å; L147-M152 HydrophobicContact CD1-SD 4.22Å; L147-M152 HydrophobicContact CD2-CE 4.39Å; L147-M152 HydrophobicContact CD2-SD 4.13Å; L147-M152 HydrophobicContact CG-CE 4.45Å; L147-M152 HydrophobicContact CG-SD 4.34Å; E150-M152 VanDerWaalsContact C-N 3.35Å; E150-M152 HydrophobicContact CB-CG 4.14Å; E150-M152 HydrophobicContact CB-SD 3.4Å; E150-M152 WeakPolarHBondContact CB-SD 3.37Å; E150-M152 HydrophobicContact CG-SD 4.29Å; E150-M152 PolarHBondContact O-N 3.2Å; E150-M152 VanDerWaalsContact O-N 3.07Å; M152-I172 HydrophobicContact CB-CD1 3.94Å; M152-I172 HydrophobicContact CE-CB 4.24Å; M152-I172 HydrophobicContact CE-CD1 3.66Å; M152-I172 HydrophobicContact CE-CG1 4.47Å; M152-I172 HydrophobicContact CE-CG2 3.59Å; M152-I172 HydrophobicContact CG-CD1 4.46Å | ||
| 153 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -135.7 | 160.1 | -170 | -68.8 | 172.7 | 0 | 0 | 0 | 111.9 | L111 A122 V123 A126 V157 M158 W168 I172 | L111-L153 VanDerWaalsContact CD2-C 3.49Å; A122-L153 HydrophobicContact CB-CD2 3.98Å; A122-L153 WeakPolarHBondContact O-CD2 3.28Å; V123-L153 HydrophobicContact CG2-CD1 4.42Å; V123-L153 HydrophobicContact CG2-CD2 4.1Å; A126-L153 HydrophobicContact CB-CD2 4.08Å; L153-V157 HydrophobicContact CD1-CG1 4.32Å; L153-V157 HydrophobicContact CD2-CG1 4.48Å; L153-M158 HydrophobicContact CB-CG 3.84Å; L153-M158 HydrophobicContact CB-SD 4.3Å; L153-M158 HydrophobicContact CD1-CG 4.23Å; L153-W168 HydrophobicContact CD1-CD2 3.51Å; L153-W168 HydrophobicContact CD1-CE3 3.38Å; L153-W168 HydrophobicContact CD1-CG 4.07Å; L153-W168 HydrophobicContact CD1-CH2 4.07Å; L153-W168 HydrophobicContact CD1-CZ2 4.19Å; L153-W168 HydrophobicContact CD1-CZ3 3.69Å; L153-I172 HydrophobicContact CD1-CD1 4.3Å; L153-I172 HydrophobicContact CG-CD1 4.23Å |
| 154 | P | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | trans | -62.4 | 149.5 | 167.9 | -14.3 | 27.5 | 0 | 0 | 0 | 111.1 | I110 D113 A122 R156 V157 M158 | I110-P154 HydrophobicContact CG2-CG 4.24Å; I110-P154 WeakPolarHBondContact O-CG 3.1Å; D113-P154 VanDerWaalsContact OD2-CB 3.28Å; D113-P154 WeakPolarHBondContact OD2-CB 3.44Å; A122-P154 HydrophobicContact CB-CG 4.38Å; P154-R156 VanDerWaalsContact C-N 3.32Å; P154-R156 PolarHBondContact O-N 3.24Å; P154-V157 HydrophobicContact CB-CG2 4.11Å; P154-V157 HydrophobicContact CG-CG2 3.91Å; P154-V157 PolarHBondContact O-N 2.89Å; P154-V157 VanDerWaalsContact O-N 3.07Å; P154-M158 PolarHBondContact O-N 3.36Å | ||
| 155 | Q | 95.8 | Very high | 94 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | -176.2 | -178.2 | 170.5 | -15.3 | 0 | 0 | 111.3 | V157 M158 E159 | Q155-V157 PolarHBondContact O-N 2.86Å; Q155-M158 PolarHBondContact O-N 3.35Å; Q155-E159 HydrophobicContact CG-CG 4.2Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.41Å; Q155-E159 PolarHBondContact NE2-OE1 2.77Å; Q155-E159 WeakPolarHBondContact O-CB 3.09Å; Q155-E159 WeakPolarHBondContact O-CG 3.39Å; Q155-E159 PolarHBondContact O-N 3.39Å |
| 156 | R | 96.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.5 | -36.2 | 172.7 | 171.5 | -176.3 | 53.9 | 79.5 | 12.9 | 113.5 | D113 C117 P154 Q160 T544 D547 | D113-R156 IonicContact OD1-CZ 2.87Å; D113-R156 VanDerWaalsContact OD1-CZ 3.23Å; D113-R156 IonicContact OD1-NE 3.54Å; D113-R156 PolarHBondContact OD1-NE 3.38Å; D113-R156 IonicContact OD1-NH2 2.87Å; D113-R156 PolarHBondContact OD1-NH2 2.98Å; C117-R156 PolarHBondContact O-NH1 2.98Å; C117-R156 PolarHBondContact O-NH2 3.33Å; P154-R156 VanDerWaalsContact C-N 3.32Å; P154-R156 PolarHBondContact O-N 3.24Å; R156-Q160 WeakPolarHBondContact O-CB 3.13Å; R156-Q160 WeakPolarHBondContact O-CG 3.19Å; R156-Q160 PolarHBondContact O-N 3.47Å; R156-Q160 PolarHBondContact O-NE2 2.9Å; R156-Q160 VanDerWaalsContact O-NE2 3.16Å; R156-T544 HydrophobicContact CG-CG2 3.84Å; R156-D547 WeakPolarHBondContact CD-OD2 3.15Å; R156-D547 IonicContact CZ-OD1 3.96Å; R156-D547 IonicContact NH1-OD1 2.82Å; R156-D547 PolarHBondContact NH1-OD1 3.41Å |
| 157 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.2 | -42.7 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | P119 A122 L153 P154 Q155 H161 W168 | P119-V157 HydrophobicContact CB-CG1 4.06Å; A122-V157 HydrophobicContact CB-CG1 4.46Å; A122-V157 HydrophobicContact CB-CG2 4.08Å; L153-V157 HydrophobicContact CD1-CG1 4.32Å; L153-V157 HydrophobicContact CD2-CG1 4.48Å; P154-V157 HydrophobicContact CB-CG2 4.11Å; P154-V157 HydrophobicContact CG-CG2 3.91Å; P154-V157 PolarHBondContact O-N 2.89Å; P154-V157 VanDerWaalsContact O-N 3.07Å; Q155-V157 PolarHBondContact O-N 2.86Å; V157-H161 PolarHBondContact O-ND1 2.87Å; V157-W168 HydrophobicContact CG1-CH2 3.93Å; V157-W168 HydrophobicContact CG1-CZ2 4.32Å; V157-W168 WeakPolarHBondContact O-CZ2 3.19Å |
| 158 | M | 94.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176.1 | -66.1 | -177.3 | -69.4 | 0 | 0 | 112.1 | L153 P154 Q155 | L153-M158 HydrophobicContact CB-CG 3.84Å; L153-M158 HydrophobicContact CB-SD 4.3Å; L153-M158 HydrophobicContact CD1-CG 4.23Å; P154-M158 PolarHBondContact O-N 3.36Å; Q155-M158 PolarHBondContact O-N 3.35Å |
| 159 | E | 94.5 | Very high | 94.5 | Very high | 103 Ų | 103 | 57.6 Ų | 57.6 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.3 | -34 | -177.8 | -73.8 | 179.5 | 177.8 | 0 | 0 | 113.2 | Q155 H161 K542 | Q155-E159 HydrophobicContact CG-CG 4.2Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.41Å; Q155-E159 PolarHBondContact NE2-OE1 2.77Å; Q155-E159 WeakPolarHBondContact O-CB 3.09Å; Q155-E159 WeakPolarHBondContact O-CG 3.39Å; Q155-E159 PolarHBondContact O-N 3.39Å; E159-H161 VanDerWaalsContact C-N 3.26Å; E159-H161 PolarHBondContact O-N 2.68Å; E159-K542 WeakPolarHBondContact O-CD 3.44Å; E159-K542 WeakPolarHBondContact O-CE 3.08Å; E159-K542 PolarHBondContact O-NZ 3.12Å |
| 160 | Q | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.9 | -178.8 | 83.9 | -179.3 | -98.4 | 0 | 0 | 114.9 | R156 D539 K542 D547 | R156-Q160 WeakPolarHBondContact O-CB 3.13Å; R156-Q160 WeakPolarHBondContact O-CG 3.19Å; R156-Q160 PolarHBondContact O-N 3.47Å; R156-Q160 PolarHBondContact O-NE2 2.9Å; R156-Q160 VanDerWaalsContact O-NE2 3.16Å; Q160-D539 PolarHBondContact O-N 2.81Å; Q160-K542 HydrophobicContact CB-CB 4.08Å; Q160-D547 PolarHBondContact NE2-OD1 2.86Å |
| 161 | H | 96.4 | Very high | 95 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 148.9 | 174.5 | -58.6 | 82.8 | 0 | 0 | 0 | 111.8 | V157 E159 L163 W168 A537 | V157-H161 PolarHBondContact O-ND1 2.87Å; E159-H161 VanDerWaalsContact C-N 3.26Å; E159-H161 PolarHBondContact O-N 2.68Å; H161-L163 HydrophobicContact CB-CD1 4.26Å; H161-L163 HydrophobicContact CB-CG 4.18Å; H161-L163 PolarHBondContact O-N 3.4Å; H161-L163 VanDerWaalsContact O-N 3.11Å; H161-W168 HydrophobicContact CB-CH2 4.2Å; H161-W168 HydrophobicContact CB-CZ2 3.72Å; H161-W168 AromaticContact CG-CH2 3.88Å; H161-W168 AromaticContact CG-CZ2 3.85Å; H161-W168 AromaticContact ND1-CH2 3.65Å; H161-W168 AromaticContact ND1-CZ2 3.71Å; H161-A537 CarbonylContact C-O 3.59Å; H161-A537 WeakPolarHBondContact CA-O 3.36Å; H161-A537 HydrophobicContact CB-CB 4.43Å |
| 162 | K | 94.3 | Very high | 95.2 | Very high | 138 Ų | 138 | 52.3 Ų | 52.3 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | trans | -87.6 | 53.8 | 177.5 | -70.4 | 161.9 | 178.2 | 143.4 | 0 | 110.6 | A537 D539 | K162-A537 PolarHBondContact N-O 3.41Å; K162-D539 WeakPolarHBondContact CE-OD2 3.34Å; K162-D539 IonicContact NZ-OD1 2.7Å; K162-D539 IonicContact NZ-OD2 2.62Å; K162-D539 PolarHBondContact NZ-OD2 2.82Å | ||
| 163 | L | 94.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | trans | -119.6 | 140 | -179 | -63.4 | 177.6 | 0 | 0 | 0 | 110.8 | H161 Q167 W168 L534 A537 | H161-L163 HydrophobicContact CB-CD1 4.26Å; H161-L163 HydrophobicContact CB-CG 4.18Å; H161-L163 PolarHBondContact O-N 3.4Å; H161-L163 VanDerWaalsContact O-N 3.11Å; L163-Q167 HydrophobicContact CB-CB 4.26Å; L163-Q167 HydrophobicContact CD2-CB 4.24Å; L163-W168 HydrophobicContact CB-CD2 4.33Å; L163-W168 HydrophobicContact CB-CG 4.44Å; L163-W168 HydrophobicContact CD1-CD2 3.99Å; L163-W168 HydrophobicContact CD1-CE3 4Å; L163-W168 HydrophobicContact CD1-CH2 3.98Å; L163-W168 HydrophobicContact CD1-CZ2 3.96Å; L163-W168 HydrophobicContact CD1-CZ3 3.98Å; L163-L534 HydrophobicContact CD1-CD2 4.34Å; L163-A537 HydrophobicContact CD1-CB 4.23Å; L163-A537 HydrophobicContact CD2-CB 3.74Å; L163-A537 HydrophobicContact CG-CB 3.78Å | ||
| 164 | S | 94 | Very high | 95.4 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | trans | -75.5 | 171 | 170.5 | 87.2 | 0 | 0 | 0 | 0 | 111.7 | E166 Q167 W168 | S164-E166 VanDerWaalsContact C-N 3.28Å; S164-E166 WeakPolarHBondContact CB-OE2 3.24Å; S164-E166 PolarHBondContact O-N 2.99Å; S164-E166 PolarHBondContact OG-N 2.65Å; S164-E166 PolarHBondContact OG-OE2 3.29Å; S164-Q167 PolarHBondContact O-N 2.95Å; S164-Q167 WeakPolarHBondContact OG-CG 3.48Å; S164-Q167 PolarHBondContact OG-N 3.4Å; S164-W168 PolarHBondContact O-N 2.97Å; S164-W168 VanDerWaalsContact O-N 3.09Å | ||
| 165 | K | 92.9 | Very high | 95.3 | Very high | 149 Ų | 149 | 57 Ų | 57 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.6 | -38.7 | 176.9 | -73.5 | -171.4 | 173.9 | -170.7 | 0 | 111.7 | W168 E169 | K165-W168 WeakPolarHBondContact O-CB 3.45Å; K165-W168 PolarHBondContact O-N 3.35Å; K165-E169 PolarHBondContact O-N 3.46Å |
| 166 | E | 94 | Very high | 95.4 | Very high | 114 Ų | 114 | 51.8 Ų | 51.8 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -43.1 | 178.6 | -52.7 | 70.3 | -151 | 0 | 0 | 109.7 | S164 W168 E169 E170 | S164-E166 VanDerWaalsContact C-N 3.28Å; S164-E166 WeakPolarHBondContact CB-OE2 3.24Å; S164-E166 PolarHBondContact O-N 2.99Å; S164-E166 PolarHBondContact OG-N 2.65Å; S164-E166 PolarHBondContact OG-OE2 3.29Å; E166-W168 VanDerWaalsContact C-N 3.29Å; E166-W168 PolarHBondContact O-N 2.84Å; E166-E169 PolarHBondContact O-N 2.88Å; E166-E169 VanDerWaalsContact O-N 3.17Å; E166-E170 WeakPolarHBondContact O-CG 3.14Å; E166-E170 PolarHBondContact O-N 3.17Å |
| 167 | Q | 94.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 55.7 Ų | 55.7 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.8 | -23 | 175.5 | -68.6 | 178.7 | -40.8 | 0 | 0 | 114.3 | L163 S164 R171 | L163-Q167 HydrophobicContact CB-CB 4.26Å; L163-Q167 HydrophobicContact CD2-CB 4.24Å; S164-Q167 PolarHBondContact O-N 2.95Å; S164-Q167 WeakPolarHBondContact OG-CG 3.48Å; S164-Q167 PolarHBondContact OG-N 3.4Å; Q167-R171 WeakPolarHBondContact O-CD 3.35Å; Q167-R171 WeakPolarHBondContact O-CG 3.22Å; Q167-R171 PolarHBondContact O-NH1 2.71Å |
| 168 | W | 96.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.7 | -42 | 168.1 | -78 | 120.3 | 0 | 0 | 0 | 111.6 | V123 L153 V157 H161 L163 S164 K165 E166 R171 I172 L534 | V123-W168 HydrophobicContact CG2-CE3 4.2Å; V123-W168 HydrophobicContact CG2-CH2 4.49Å; V123-W168 HydrophobicContact CG2-CZ3 3.57Å; L153-W168 HydrophobicContact CD1-CD2 3.51Å; L153-W168 HydrophobicContact CD1-CE3 3.38Å; L153-W168 HydrophobicContact CD1-CG 4.07Å; L153-W168 HydrophobicContact CD1-CH2 4.07Å; L153-W168 HydrophobicContact CD1-CZ2 4.19Å; L153-W168 HydrophobicContact CD1-CZ3 3.69Å; V157-W168 HydrophobicContact CG1-CH2 3.93Å; V157-W168 HydrophobicContact CG1-CZ2 4.32Å; V157-W168 WeakPolarHBondContact O-CZ2 3.19Å; H161-W168 HydrophobicContact CB-CH2 4.2Å; H161-W168 HydrophobicContact CB-CZ2 3.72Å; H161-W168 AromaticContact CG-CH2 3.88Å; H161-W168 AromaticContact CG-CZ2 3.85Å; H161-W168 AromaticContact ND1-CH2 3.65Å; H161-W168 AromaticContact ND1-CZ2 3.71Å; L163-W168 HydrophobicContact CB-CD2 4.33Å; L163-W168 HydrophobicContact CB-CG 4.44Å; L163-W168 HydrophobicContact CD1-CD2 3.99Å; L163-W168 HydrophobicContact CD1-CE3 4Å; L163-W168 HydrophobicContact CD1-CH2 3.98Å; L163-W168 HydrophobicContact CD1-CZ2 3.96Å; L163-W168 HydrophobicContact CD1-CZ3 3.98Å; S164-W168 PolarHBondContact O-N 2.97Å; S164-W168 VanDerWaalsContact O-N 3.09Å; K165-W168 WeakPolarHBondContact O-CB 3.45Å; K165-W168 PolarHBondContact O-N 3.35Å; E166-W168 VanDerWaalsContact C-N 3.29Å; E166-W168 PolarHBondContact O-N 2.84Å; W168-R171 PolarHBondContact O-N 3.31Å; W168-I172 WeakPolarHBondContact O-CG1 3.39Å; W168-I172 PolarHBondContact O-N 3.06Å; W168-L534 HydrophobicContact CH2-CD2 3.88Å; W168-L534 HydrophobicContact CZ3-CD2 3.58Å |
| 169 | E | 95.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 175 | 173.9 | 163.8 | 169.6 | 0 | 0 | 111.5 | G145 Y146 L147 K165 E166 R171 I172 Q173 | G145-E169 VanDerWaalsContact C-OE1 3.29Å; G145-E169 VanDerWaalsContact CA-OE1 3.25Å; G145-E169 WeakPolarHBondContact CA-OE1 3.39Å; G145-E169 WeakPolarHBondContact CA-OE2 3.31Å; G145-E169 PolarHBondContact N-OE1 3.4Å; Y146-E169 WeakPolarHBondContact CD1-OE1 3.26Å; Y146-E169 PolarHBondContact N-OE1 2.99Å; L147-E169 HydrophobicContact CB-CG 4.05Å; L147-E169 HydrophobicContact CD1-CG 4.13Å; L147-E169 HydrophobicContact CG-CG 4.29Å; L147-E169 PolarHBondContact N-OE1 2.99Å; K165-E169 PolarHBondContact O-N 3.46Å; E166-E169 PolarHBondContact O-N 2.88Å; E166-E169 VanDerWaalsContact O-N 3.17Å; E169-R171 VanDerWaalsContact C-N 3.35Å; E169-R171 PolarHBondContact O-N 2.89Å; E169-I172 PolarHBondContact O-N 2.86Å; E169-Q173 VanDerWaalsContact O-CB 3.29Å; E169-Q173 WeakPolarHBondContact O-CB 3.4Å; E169-Q173 PolarHBondContact O-N 3.15Å |
| 170 | E | 94.3 | Very high | 95.3 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.8 | -48.2 | 173.9 | -74.6 | 169.4 | 172.4 | 0 | 0 | 112.3 | E166 Q173 V174 | E166-E170 WeakPolarHBondContact O-CG 3.14Å; E166-E170 PolarHBondContact O-N 3.17Å; E170-Q173 PolarHBondContact O-N 2.8Å; E170-V174 WeakPolarHBondContact O-CG2 3.31Å; E170-V174 PolarHBondContact O-N 3.13Å; E170-V174 VanDerWaalsContact O-N 3.1Å |
| 171 | R | 94.9 | Very high | 95 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 179.3 | -78.2 | 168.7 | 175.5 | 66.5 | 6 | 112 | Q167 W168 E169 Q173 V174 W175 | Q167-R171 WeakPolarHBondContact O-CD 3.35Å; Q167-R171 WeakPolarHBondContact O-CG 3.22Å; Q167-R171 PolarHBondContact O-NH1 2.71Å; W168-R171 PolarHBondContact O-N 3.31Å; E169-R171 VanDerWaalsContact C-N 3.35Å; E169-R171 PolarHBondContact O-N 2.89Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-V174 PolarHBondContact O-N 3.06Å; R171-W175 VanDerWaalsContact O-CD1 3.22Å; R171-W175 PolarHBondContact O-N 3.11Å |
| 172 | I | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72 | -31.1 | -178.9 | -61.9 | 163.1 | 0 | 0 | 0 | 110.7 | V123 A126 V130 L147 M152 L153 W168 E169 W175 H176 | V123-I172 HydrophobicContact CG1-CG1 3.99Å; A126-I172 HydrophobicContact CB-CD1 3.83Å; A126-I172 HydrophobicContact CB-CG1 4.16Å; A126-I172 HydrophobicContact CB-CG2 4.16Å; V130-I172 HydrophobicContact CG2-CG2 3.93Å; L147-I172 HydrophobicContact CD1-CG2 4.36Å; M152-I172 HydrophobicContact CB-CD1 3.94Å; M152-I172 HydrophobicContact CE-CB 4.24Å; M152-I172 HydrophobicContact CE-CD1 3.66Å; M152-I172 HydrophobicContact CE-CG1 4.47Å; M152-I172 HydrophobicContact CE-CG2 3.59Å; M152-I172 HydrophobicContact CG-CD1 4.46Å; L153-I172 HydrophobicContact CD1-CD1 4.3Å; L153-I172 HydrophobicContact CG-CD1 4.23Å; W168-I172 WeakPolarHBondContact O-CG1 3.39Å; W168-I172 PolarHBondContact O-N 3.06Å; E169-I172 PolarHBondContact O-N 2.86Å; I172-W175 PolarHBondContact O-N 2.78Å; I172-H176 VanDerWaalsContact O-CB 3.27Å; I172-H176 WeakPolarHBondContact O-CB 2.83Å; I172-H176 PolarHBondContact O-N 2.73Å |
| 173 | Q | 96.4 | Very high | 94.7 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 173.1 | -173.7 | -136.9 | -72.8 | 0 | 0 | 112.1 | Y137 Y146 E169 E170 R171 W175 H176 E177 | Y137-Q173 HydrophobicContact CD2-CG 4.13Å; Y137-Q173 HydrophobicContact CE2-CG 3.56Å; Y137-Q173 PolarHBondContact OH-NE2 3.09Å; Y146-Q173 HydrophobicContact CE1-CB 4.4Å; Y146-Q173 HydrophobicContact CE1-CG 4.12Å; E169-Q173 VanDerWaalsContact O-CB 3.29Å; E169-Q173 WeakPolarHBondContact O-CB 3.4Å; E169-Q173 PolarHBondContact O-N 3.15Å; E170-Q173 PolarHBondContact O-N 2.8Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; Q173-W175 VanDerWaalsContact C-N 3.31Å; Q173-W175 PolarHBondContact O-N 3.45Å; Q173-H176 WeakPolarHBondContact O-CB 3.34Å; Q173-H176 PolarHBondContact O-N 3.45Å; Q173-H176 VanDerWaalsContact O-N 3.16Å; Q173-E177 PolarHBondContact O-N 2.85Å |
| 174 | V | 95.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 47% | 0.473 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | E170 R171 E177 E178 | E170-V174 WeakPolarHBondContact O-CG2 3.31Å; E170-V174 PolarHBondContact O-N 3.13Å; E170-V174 VanDerWaalsContact O-N 3.1Å; R171-V174 PolarHBondContact O-N 3.06Å; V174-E177 PolarHBondContact O-N 2.9Å; V174-E178 PolarHBondContact O-N 3.46Å |
| 175 | W | 96 | Very high | 94.7 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.1 | -22.6 | 177.1 | -68.9 | 110.7 | 0 | 0 | 0 | 113.8 | S127 R171 I172 Q173 E178 H179 Q526 T529 L530 | S127-W175 VanDerWaalsContact CB-CB 3.45Å; R171-W175 VanDerWaalsContact O-CD1 3.22Å; R171-W175 PolarHBondContact O-N 3.11Å; I172-W175 PolarHBondContact O-N 2.78Å; Q173-W175 VanDerWaalsContact C-N 3.31Å; Q173-W175 PolarHBondContact O-N 3.45Å; W175-E178 HydrophobicContact CE3-CB 4.28Å; W175-E178 HydrophobicContact CE3-CG 4.07Å; W175-E178 HydrophobicContact CZ3-CG 4.15Å; W175-H179 PolarHBondContact O-CD2 3.37Å; W175-H179 PolarHBondContact O-NE2 3.25Å; W175-H179 VanDerWaalsContact O-NE2 3.15Å; W175-Q526 HydrophobicContact CE3-CG 4.25Å; W175-Q526 HydrophobicContact CH2-CB 4.2Å; W175-Q526 HydrophobicContact CH2-CG 4.11Å; W175-Q526 HydrophobicContact CZ3-CB 4.07Å; W175-Q526 HydrophobicContact CZ3-CG 3.6Å; W175-T529 HydrophobicContact CH2-CG2 4.17Å; W175-T529 HydrophobicContact CZ2-CG2 3.8Å; W175-L530 HydrophobicContact CD2-CD1 4.47Å; W175-L530 HydrophobicContact CZ2-CD1 4.43Å; W175-L530 HydrophobicContact CZ2-CG 4.01Å; W175-L530 VanDerWaalsContact NE1-CD2 3.28Å |
| 176 | H | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.7 | -39.7 | 171.2 | 173.7 | -149 | 0 | 0 | 0 | 111.5 | V130 Q131 G135 Y137 Y146 I172 Q173 E178 H179 | V130-H176 HydrophobicContact CB-CB 4.49Å; V130-H176 HydrophobicContact CG1-CB 4.37Å; V130-H176 WeakPolarHBondContact CG1-CE1 3.49Å; V130-H176 VanDerWaalsContact CG1-ND1 3.35Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.43Å; Q131-H176 PolarHBondContact OE1-CD2 2.74Å; G135-H176 PolarHBondContact O-NE2 3.41Å; Y137-H176 AromaticContact CD2-ND1 3.78Å; Y146-H176 AromaticContact CZ-ND1 3.96Å; Y146-H176 PolarHBondContact OH-ND1 3.19Å; I172-H176 VanDerWaalsContact O-CB 3.27Å; I172-H176 WeakPolarHBondContact O-CB 2.83Å; I172-H176 PolarHBondContact O-N 2.73Å; Q173-H176 WeakPolarHBondContact O-CB 3.34Å; Q173-H176 PolarHBondContact O-N 3.45Å; Q173-H176 VanDerWaalsContact O-N 3.16Å; H176-E178 VanDerWaalsContact C-N 3.31Å; H176-E178 PolarHBondContact O-N 2.66Å; H176-H179 PolarHBondContact O-N 3.12Å |
| 177 | E | 96.3 | Very high | 94.9 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 175 | -171.9 | 162.8 | -167.1 | 0 | 0 | 112 | Y137 Q173 V174 H179 S180 | Y137-E177 HydrophobicContact CD1-CB 3.77Å; Y137-E177 HydrophobicContact CD1-CG 3.75Å; Y137-E177 HydrophobicContact CE1-CB 4.39Å; Y137-E177 HydrophobicContact CE1-CG 4.27Å; Y137-E177 HydrophobicContact CG-CB 4.34Å; Q173-E177 PolarHBondContact O-N 2.85Å; V174-E177 PolarHBondContact O-N 2.9Å; E177-H179 PolarHBondContact O-N 3.42Å; E177-S180 WeakPolarHBondContact O-CB 3.2Å; E177-S180 PolarHBondContact O-N 3.12Å |
| 178 | E | 95.6 | Very high | 95.1 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 46% | 0.458 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21 | 170.8 | -88.4 | -83.1 | 143.6 | 0 | 0 | 114.4 | V174 W175 H176 R522 | V174-E178 PolarHBondContact O-N 3.46Å; W175-E178 HydrophobicContact CE3-CB 4.28Å; W175-E178 HydrophobicContact CE3-CG 4.07Å; W175-E178 HydrophobicContact CZ3-CG 4.15Å; H176-E178 VanDerWaalsContact C-N 3.31Å; H176-E178 PolarHBondContact O-N 2.66Å; E178-R522 PolarHBondContact O-NH2 3.29Å; E178-R522 IonicContact OE2-CZ 2.79Å; E178-R522 IonicContact OE2-NE 3.85Å; E178-R522 IonicContact OE2-NH2 3.55Å; E178-R522 PolarHBondContact OE2-NH2 3.23Å |
| 179 | H | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4.6 | 178.2 | -58.2 | -40.8 | 0 | 0 | 0 | 113.6 | S127 Y128 Q131 W175 H176 E177 G181 M182 | S127-H179 PolarHBondContact OG-NE2 2.9Å; Y128-H179 AromaticContact CD1-CD2 3.98Å; Y128-H179 AromaticContact CD1-CE1 3.77Å; Y128-H179 AromaticContact CD1-NE2 3.71Å; Y128-H179 AromaticContact CE1-CE1 3.26Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.37Å; Y128-H179 AromaticContact CE1-ND1 3.51Å; Y128-H179 AromaticContact CE1-NE2 3.71Å; Y128-H179 AromaticContact CE2-CE1 3.82Å; Y128-H179 AromaticContact CG-NE2 3.88Å; Y128-H179 AromaticContact CZ-CE1 3.29Å; Y128-H179 AromaticContact CZ-ND1 3.92Å; Y128-H179 AromaticContact CZ-NE2 3.87Å; Q131-H179 HydrophobicContact CB-CB 4.1Å; Q131-H179 HydrophobicContact CG-CB 3.86Å; Q131-H179 PolarHBondContact NE2-O 3.24Å; W175-H179 PolarHBondContact O-CD2 3.37Å; W175-H179 PolarHBondContact O-NE2 3.25Å; W175-H179 VanDerWaalsContact O-NE2 3.15Å; H176-H179 PolarHBondContact O-N 3.12Å; E177-H179 PolarHBondContact O-N 3.42Å; H179-G181 PolarHBondContact O-N 3.05Å; H179-M182 HydrophobicContact CB-CB 4.41Å; H179-M182 WeakPolarHBondContact O-CB 3.5Å; H179-M182 PolarHBondContact O-N 3.18Å |
| 180 | S | 93.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 56% | 0.559 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 128.4 | 176.1 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | D136 E177 | D136-S180 WeakPolarHBondContact OD1-CA 3.46Å; E177-S180 WeakPolarHBondContact O-CB 3.2Å; E177-S180 PolarHBondContact O-N 3.12Å |
| 181 | G | 89.9 | Confident | 95.4 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 45% | 0.454 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -10.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D136 H179 R320 | D136-G181 PolarHBondContact OD1-N 2.95Å; H179-G181 PolarHBondContact O-N 3.05Å; G181-R320 PolarHBondContact O-NH1 2.94Å; G181-R320 PolarHBondContact O-NH2 3.39Å |
| 182 | M | 93.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 17% | 0.172 | 20% | 0.2 | C | C | . | . | trans | -80.9 | 140 | 175.9 | -168.9 | 169.9 | -70.3 | 0 | 0 | 111.5 | Y128 Q131 H179 D186 A187 E190 | Y128-M182 HydrophobicContact CD1-SD 3.89Å; Y128-M182 HydrophobicContact CE1-CE 3.92Å; Y128-M182 HydrophobicContact CE1-SD 3.69Å; Q131-M182 HydrophobicContact CG-CB 4.14Å; Q131-M182 PolarHBondContact NE2-O 3Å; H179-M182 HydrophobicContact CB-CB 4.41Å; H179-M182 WeakPolarHBondContact O-CB 3.5Å; H179-M182 PolarHBondContact O-N 3.18Å; M182-D186 HydrophobicContact CG-CB 4.03Å; M182-A187 HydrophobicContact CG-CB 4.05Å; M182-A187 HydrophobicContact SD-CB 3.81Å; M182-E190 HydrophobicContact CE-CG 4.15Å; M182-E190 HydrophobicContact SD-CG 4.14Å | ||
| 183 | L | 91.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | trans | -77.5 | 163.2 | 174.1 | -66.4 | 166.5 | 0 | 0 | 0 | 110.9 | E185 D186 A187 R320 N485 | L183-E185 PolarHBondContact O-N 2.89Å; L183-D186 HydrophobicContact CB-CB 4.32Å; L183-D186 WeakPolarHBondContact CD1-OD2 3.39Å; L183-A187 WeakPolarHBondContact O-CB 3.41Å; L183-A187 PolarHBondContact O-N 3.42Å; L183-R320 HydrophobicContact CD2-CG 4.09Å; L183-N485 HydrophobicContact CD1-CB 4.32Å; L183-N485 WeakPolarHBondContact CD1-O 3.44Å | ||
| 184 | R | 94.2 | Very high | 95.7 | Very high | 116 Ų | 116 | 38.2 Ų | 38.2 | 44% | 0.438 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.1 | -35 | 179.8 | -67.1 | 178.2 | 174.7 | 161.8 | -1.9 | 110.6 | A132 F134 A187 M188 | A132-R184 WeakPolarHBondContact O-CD 3.44Å; A132-R184 WeakPolarHBondContact O-CG 3.31Å; F134-R184 PolarHBondContact O-NH2 3.02Å; R184-A187 PolarHBondContact O-N 2.99Å; R184-M188 VanDerWaalsContact O-CG 3.26Å; R184-M188 WeakPolarHBondContact O-CG 3.21Å; R184-M188 PolarHBondContact O-N 3.13Å |
| 185 | E | 92.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -55.4 | 179.2 | -60.3 | 62.6 | -135.8 | 0 | 0 | 109.5 | E96 L183 A187 M188 L189 | E96-E185 HydrophobicContact CG-CG 3.83Å; L183-E185 PolarHBondContact O-N 2.89Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.06Å; E185-M188 PolarHBondContact O-N 2.75Å; E185-M188 VanDerWaalsContact O-N 3.16Å; E185-L189 PolarHBondContact O-N 2.89Å |
| 186 | D | 94.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 173.5 | -64.5 | -43.4 | 0 | 0 | 0 | 111.3 | M182 L183 M188 L189 E190 K313 | M182-D186 HydrophobicContact CG-CB 4.03Å; L183-D186 HydrophobicContact CB-CB 4.32Å; L183-D186 WeakPolarHBondContact CD1-OD2 3.39Å; D186-M188 PolarHBondContact O-N 2.7Å; D186-L189 CarbonylContact O-C 3.28Å; D186-L189 WeakPolarHBondContact O-CB 3.48Å; D186-L189 PolarHBondContact O-N 3.05Å; D186-L189 VanDerWaalsContact O-N 3.12Å; D186-E190 WeakPolarHBondContact O-CG 3.43Å; D186-E190 PolarHBondContact O-N 3.4Å; D186-K313 IonicContact OD1-NZ 2.73Å |
| 187 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q131 A132 M182 L183 R184 E185 L189 Y191 | Q131-A187 HydrophobicContact CB-CB 4.1Å; Q131-A187 HydrophobicContact CG-CB 3.89Å; A132-A187 HydrophobicContact CB-CB 4.14Å; M182-A187 HydrophobicContact CG-CB 4.05Å; M182-A187 HydrophobicContact SD-CB 3.81Å; L183-A187 WeakPolarHBondContact O-CB 3.41Å; L183-A187 PolarHBondContact O-N 3.42Å; R184-A187 PolarHBondContact O-N 2.99Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.06Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-Y191 WeakPolarHBondContact O-CB 3.39Å; A187-Y191 PolarHBondContact O-N 2.7Å; A187-Y191 VanDerWaalsContact O-N 3.07Å |
| 188 | M | 98.2 | Very high | 96 | Very high | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 170.9 | -71.5 | -175.5 | -63.8 | 0 | 0 | 111.5 | K100 F103 A132 R184 E185 D186 L192 | K100-M188 HydrophobicContact CB-CE 3.98Å; K100-M188 HydrophobicContact CB-SD 3.72Å; K100-M188 HydrophobicContact CG-CE 4.45Å; K100-M188 HydrophobicContact CG-SD 3.87Å; F103-M188 HydrophobicContact CB-CB 3.93Å; F103-M188 HydrophobicContact CB-CG 4.05Å; F103-M188 HydrophobicContact CB-SD 4.36Å; F103-M188 HydrophobicContact CD1-CB 4.31Å; F103-M188 HydrophobicContact CD1-CG 3.49Å; F103-M188 VanDerWaalsContact CD1-CG 3.49Å; F103-M188 HydrophobicContact CD1-SD 3.54Å; F103-M188 VanDerWaalsContact CD1-SD 3.54Å; F103-M188 HydrophobicContact CD2-CB 4.19Å; F103-M188 HydrophobicContact CD2-CG 3.97Å; F103-M188 HydrophobicContact CE1-CG 3.84Å; F103-M188 HydrophobicContact CE1-SD 4.05Å; F103-M188 HydrophobicContact CE2-CG 4.28Å; F103-M188 HydrophobicContact CG-CB 3.9Å; F103-M188 HydrophobicContact CG-CG 3.57Å; F103-M188 HydrophobicContact CG-SD 4.09Å; F103-M188 HydrophobicContact CZ-CG 4.22Å; A132-M188 HydrophobicContact CB-CG 3.7Å; R184-M188 VanDerWaalsContact O-CG 3.26Å; R184-M188 WeakPolarHBondContact O-CG 3.21Å; R184-M188 PolarHBondContact O-N 3.13Å; E185-M188 PolarHBondContact O-N 2.75Å; E185-M188 VanDerWaalsContact O-N 3.16Å; D186-M188 PolarHBondContact O-N 2.7Å; M188-L192 VanDerWaalsContact O-CG 3.29Å; M188-L192 WeakPolarHBondContact O-CG 3.2Å; M188-L192 PolarHBondContact O-N 2.85Å |
| 189 | L | 96.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 14% | 0.141 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.8 | -44.3 | 176.5 | -172.9 | 60.6 | 0 | 0 | 0 | 112.5 | V89 E185 D186 A187 Y191 L192 K193 | V89-L189 HydrophobicContact CB-CD1 4.42Å; V89-L189 HydrophobicContact CG2-CD1 4.18Å; E185-L189 PolarHBondContact O-N 2.89Å; D186-L189 CarbonylContact O-C 3.28Å; D186-L189 WeakPolarHBondContact O-CB 3.48Å; D186-L189 PolarHBondContact O-N 3.05Å; D186-L189 VanDerWaalsContact O-N 3.12Å; A187-L189 VanDerWaalsContact C-N 3.34Å; L189-Y191 PolarHBondContact O-N 2.85Å; L189-L192 CarbonylContact O-C 3.3Å; L189-L192 WeakPolarHBondContact O-CA 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.46Å; L189-L192 PolarHBondContact O-N 2.81Å; L189-K193 WeakPolarHBondContact O-CG 3.42Å; L189-K193 PolarHBondContact O-N 2.84Å |
| 190 | E | 97.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 27 Ų | 27 | 13% | 0.131 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 174.6 | -67.3 | -52.1 | 134.5 | 0 | 0 | 111.8 | Y128 M182 D186 L192 K193 I194 | Y128-E190 HydrophobicContact CD1-CB 3.93Å; Y128-E190 HydrophobicContact CE1-CB 3.66Å; Y128-E190 HydrophobicContact CE1-CG 4.19Å; M182-E190 HydrophobicContact CE-CG 4.15Å; M182-E190 HydrophobicContact SD-CG 4.14Å; D186-E190 WeakPolarHBondContact O-CG 3.43Å; D186-E190 PolarHBondContact O-N 3.4Å; E190-L192 PolarHBondContact O-N 3.3Å; E190-K193 PolarHBondContact O-N 2.88Å; E190-K193 WeakPolarHBondContact OE1-CE 3.38Å; E190-K193 IonicContact OE1-NZ 3.61Å; E190-K193 PolarHBondContact OE1-NZ 3.08Å; E190-K193 IonicContact OE2-NZ 2.64Å; E190-I194 WeakPolarHBondContact O-CG1 3.47Å; E190-I194 PolarHBondContact O-N 2.86Å; E190-I194 VanDerWaalsContact O-N 3.08Å |
| 191 | Y | 98.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.6 | -44 | 170.4 | -175.2 | -73.4 | 0 | 0 | 0 | 111.2 | F103 V106 K107 I110 L125 A129 A187 L189 S195 | F103-Y191 AromaticContact CD2-CD1 3.63Å; F103-Y191 HydrophobicContact CD2-CD1 3.63Å; F103-Y191 HydrophobicContact CD2-CD2 4.01Å; F103-Y191 HydrophobicContact CD2-CE1 4.24Å; F103-Y191 AromaticContact CD2-CG 3.55Å; F103-Y191 HydrophobicContact CD2-CG 3.55Å; F103-Y191 HydrophobicContact CE2-CD1 4.09Å; F103-Y191 AromaticContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CE2 4.06Å; F103-Y191 AromaticContact CE2-CG 3.64Å; F103-Y191 HydrophobicContact CE2-CG 3.64Å; V106-Y191 HydrophobicContact CG1-CE1 4.17Å; K107-Y191 WeakPolarHBondContact CA-OH 3.21Å; K107-Y191 HydrophobicContact CB-CE1 4.25Å; K107-Y191 HydrophobicContact CD-CE2 4.31Å; K107-Y191 HydrophobicContact CG-CE2 4.36Å; I110-Y191 HydrophobicContact CD1-CE1 4.4Å; L125-Y191 HydrophobicContact CB-CD2 3.96Å; L125-Y191 HydrophobicContact CB-CE2 3.54Å; L125-Y191 HydrophobicContact CD2-CD1 4.07Å; L125-Y191 HydrophobicContact CD2-CD2 3.76Å; L125-Y191 HydrophobicContact CD2-CE1 4.26Å; L125-Y191 HydrophobicContact CD2-CE2 3.99Å; L125-Y191 HydrophobicContact CD2-CG 3.77Å; L125-Y191 VanDerWaalsContact CD2-O 3.22Å; L125-Y191 WeakPolarHBondContact CD2-O 3.23Å; L125-Y191 HydrophobicContact CG-CD2 4.43Å; L125-Y191 HydrophobicContact CG-CE2 4.24Å; L125-Y191 WeakPolarHBondContact O-CD2 3.4Å; L125-Y191 WeakPolarHBondContact O-CE2 3.33Å; A129-Y191 HydrophobicContact CB-CD2 4.15Å; A129-Y191 HydrophobicContact CB-CE2 4Å; A187-Y191 WeakPolarHBondContact O-CB 3.39Å; A187-Y191 PolarHBondContact O-N 2.7Å; A187-Y191 VanDerWaalsContact O-N 3.07Å; L189-Y191 PolarHBondContact O-N 2.85Å; Y191-S195 WeakPolarHBondContact CD1-OG 3.37Å; Y191-S195 VanDerWaalsContact CE1-OG 3.3Å; Y191-S195 WeakPolarHBondContact CE1-OG 3.39Å; Y191-S195 WeakPolarHBondContact O-CB 3.41Å; Y191-S195 PolarHBondContact O-N 2.82Å; Y191-S195 PolarHBondContact O-OG 2.95Å |
| 192 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.7 | -36.8 | -179.5 | -74.2 | 169.3 | 0 | 0 | 0 | 113 | V89 L93 F102 F103 V106 M188 L189 E190 I194 S195 Q196 | V89-L192 HydrophobicContact CB-CB 4.35Å; V89-L192 HydrophobicContact CG1-CB 4.21Å; V89-L192 HydrophobicContact CG2-CB 4.13Å; L93-L192 HydrophobicContact CD1-CD1 3.7Å; F102-L192 HydrophobicContact CB-CD1 3.91Å; F102-L192 HydrophobicContact CB-CD2 4.24Å; F103-L192 HydrophobicContact CB-CD1 4.11Å; F103-L192 HydrophobicContact CB-CG 4.32Å; V106-L192 HydrophobicContact CB-CD2 4.07Å; V106-L192 HydrophobicContact CG1-CD2 4.41Å; V106-L192 HydrophobicContact CG2-CD2 3.85Å; M188-L192 VanDerWaalsContact O-CG 3.29Å; M188-L192 WeakPolarHBondContact O-CG 3.2Å; M188-L192 PolarHBondContact O-N 2.85Å; L189-L192 CarbonylContact O-C 3.3Å; L189-L192 WeakPolarHBondContact O-CA 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.46Å; L189-L192 PolarHBondContact O-N 2.81Å; E190-L192 PolarHBondContact O-N 3.3Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 3.43Å; L192-S195 PolarHBondContact O-N 3.42Å; L192-Q196 WeakPolarHBondContact O-CB 3.4Å; L192-Q196 WeakPolarHBondContact O-CG 3.08Å; L192-Q196 PolarHBondContact O-N 3.12Å |
| 193 | K | 97.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 21.2 Ų | 21.2 | 17% | 0.165 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.8 | -74.9 | 176.9 | -179.1 | 174.1 | 0 | 112.2 | V89 L189 E190 Q196 E516 | V89-K193 HydrophobicContact CG2-CB 4.38Å; V89-K193 HydrophobicContact CG2-CG 3.82Å; L189-K193 WeakPolarHBondContact O-CG 3.42Å; L189-K193 PolarHBondContact O-N 2.84Å; E190-K193 PolarHBondContact O-N 2.88Å; E190-K193 WeakPolarHBondContact OE1-CE 3.38Å; E190-K193 IonicContact OE1-NZ 3.61Å; E190-K193 PolarHBondContact OE1-NZ 3.08Å; E190-K193 IonicContact OE2-NZ 2.64Å; K193-Q196 WeakPolarHBondContact O-CG 3.25Å; K193-E516 HydrophobicContact CB-CG 4.2Å |
| 194 | I | 98.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -74.5 | -39.9 | 175.6 | -64.5 | 169.6 | 0 | 0 | 0 | 110.4 | T121 L124 L125 Y128 E190 L192 Q196 E516 V523 | T121-I194 HydrophobicContact CG2-CG2 3.59Å; L124-I194 HydrophobicContact CD2-CD1 3.96Å; L124-I194 HydrophobicContact CG-CD1 4.32Å; L125-I194 HydrophobicContact CD2-CB 3.92Å; L125-I194 HydrophobicContact CD2-CG2 3.86Å; L125-I194 HydrophobicContact CG-CG2 4.22Å; Y128-I194 HydrophobicContact CD2-CD1 4.14Å; Y128-I194 HydrophobicContact CE2-CD1 3.51Å; E190-I194 WeakPolarHBondContact O-CG1 3.47Å; E190-I194 PolarHBondContact O-N 2.86Å; E190-I194 VanDerWaalsContact O-N 3.08Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 3.43Å; I194-Q196 PolarHBondContact O-N 3.17Å; I194-E516 HydrophobicContact CG1-CG 4.39Å; I194-V523 HydrophobicContact CD1-CG1 3.94Å; I194-V523 HydrophobicContact CD1-CG2 4.15Å; I194-V523 HydrophobicContact CG1-CG1 4.05Å |
| 195 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.7 | -31.5 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | L125 Y191 L192 D197 L198 Y201 | L125-S195 WeakPolarHBondContact CD2-OG 3.4Å; Y191-S195 WeakPolarHBondContact CD1-OG 3.37Å; Y191-S195 VanDerWaalsContact CE1-OG 3.3Å; Y191-S195 WeakPolarHBondContact CE1-OG 3.39Å; Y191-S195 WeakPolarHBondContact O-CB 3.41Å; Y191-S195 PolarHBondContact O-N 2.82Å; Y191-S195 PolarHBondContact O-OG 2.95Å; L192-S195 PolarHBondContact O-N 3.42Å; S195-D197 PolarHBondContact O-N 3.01Å; S195-L198 WeakPolarHBondContact O-CB 3.31Å; S195-L198 WeakPolarHBondContact O-CG 3.25Å; S195-L198 PolarHBondContact O-N 3.25Å; S195-Y201 VanDerWaalsContact O-CB 3.29Å; S195-Y201 WeakPolarHBondContact O-CB 2.91Å; S195-Y201 WeakPolarHBondContact O-CD2 3.35Å |
| 196 | Q | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.5 | -176.8 | 62.6 | 171.8 | -2.9 | 0 | 0 | 113.9 | D88 V89 L192 K193 I194 Y201 K560 | D88-Q196 PolarHBondContact OD1-NE2 2.84Å; D88-Q196 PolarHBondContact OD1-OE1 3.19Å; V89-Q196 HydrophobicContact CG1-CB 4.29Å; V89-Q196 HydrophobicContact CG2-CG 4.46Å; L192-Q196 WeakPolarHBondContact O-CB 3.4Å; L192-Q196 WeakPolarHBondContact O-CG 3.08Å; L192-Q196 PolarHBondContact O-N 3.12Å; K193-Q196 WeakPolarHBondContact O-CG 3.25Å; I194-Q196 PolarHBondContact O-N 3.17Å; Q196-Y201 HydrophobicContact CB-CD1 3.98Å; Q196-Y201 HydrophobicContact CB-CE1 3.64Å; Q196-Y201 HydrophobicContact CB-CE2 4.21Å; Q196-Y201 HydrophobicContact CB-CG 4.43Å; Q196-K560 PolarHBondContact O-NZ 3.41Å |
| 197 | D | 97.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 20 Ų | 20 | 11% | 0.107 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.5 | -179.8 | -65.8 | -11.1 | 0 | 0 | 0 | 113.3 | S195 T515 E516 K560 Y561 | S195-D197 PolarHBondContact O-N 3.01Å; D197-T515 HydrophobicContact CB-CG2 4.15Å; D197-T515 WeakPolarHBondContact OD2-CA 3.21Å; D197-T515 WeakPolarHBondContact OD2-CB 3.46Å; D197-E516 PolarHBondContact OD2-N 3.45Å; D197-K560 WeakPolarHBondContact O-CB 2.96Å; D197-K560 WeakPolarHBondContact O-CD 3.26Å; D197-Y561 VanDerWaalsContact OD1-CE2 3.29Å; D197-Y561 WeakPolarHBondContact OD1-CE2 3.29Å; D197-Y561 PolarHBondContact OD1-OH 3.4Å |
| 198 | L | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -61.5 | 137.7 | 174.4 | -63 | 174.1 | 0 | 0 | 0 | 110.3 | I110 I115 C117 T121 S195 M200 Y201 K560 | I110-L198 HydrophobicContact CD1-CD1 3.68Å; I110-L198 HydrophobicContact CG1-CD1 4.25Å; I115-L198 HydrophobicContact CG2-CB 4.36Å; I115-L198 HydrophobicContact CG2-CD1 4.01Å; C117-L198 HydrophobicContact CB-CD1 4.04Å; C117-L198 HydrophobicContact CB-CD2 4.47Å; T121-L198 HydrophobicContact CG2-CD2 4.3Å; S195-L198 WeakPolarHBondContact O-CB 3.31Å; S195-L198 WeakPolarHBondContact O-CG 3.25Å; S195-L198 PolarHBondContact O-N 3.25Å; L198-M200 PolarHBondContact O-N 2.75Å; L198-M200 VanDerWaalsContact O-N 3.12Å; L198-Y201 WeakPolarHBondContact O-CB 3.33Å; L198-Y201 PolarHBondContact O-N 3.12Å; L198-K560 PolarHBondContact O-NZ 3.35Å |
| 199 | E | 97.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 23 Ų | 23 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.3 | -169.4 | -54.5 | 97.7 | 128.7 | 0 | 0 | 112.8 | L234 H550 | E199-L234 HydrophobicContact CB-CB 4.08Å; E199-L234 HydrophobicContact CB-CD2 4.28Å; E199-L234 WeakPolarHBondContact CB-O 3.31Å; E199-L234 HydrophobicContact CG-CB 4.24Å; E199-H550 IonicContact OE1-CE1 2.67Å; E199-H550 IonicContact OE1-CG 2.72Å; E199-H550 IonicContact OE1-ND1 3.24Å; E199-H550 PolarHBondContact OE1-ND1 3.22Å; E199-H550 IonicContact OE2-ND1 3.98Å |
| 200 | M | 97.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.4 | 178.4 | -58.4 | -168.6 | 59.1 | 0 | 0 | 114.5 | E114 I115 Y116 L198 G202 V203 Y205 K233 L234 | E114-M200 VanDerWaalsContact O-CE 3.31Å; E114-M200 WeakPolarHBondContact O-CE 3.25Å; I115-M200 HydrophobicContact CG2-CB 4.2Å; Y116-M200 VanDerWaalsContact CB-SD 3.52Å; Y116-M200 PolarHBondContact N-SD 3.5Å; L198-M200 PolarHBondContact O-N 2.75Å; L198-M200 VanDerWaalsContact O-N 3.12Å; M200-G202 PolarHBondContact O-N 3.11Å; M200-V203 PolarHBondContact O-N 3.18Å; M200-Y205 HydrophobicContact CB-CE2 4.47Å; M200-Y205 HydrophobicContact CE-CE2 3.77Å; M200-Y205 WeakPolarHBondContact CG-OH 3.46Å; M200-K233 HydrophobicContact CE-CB 4.26Å; M200-K233 HydrophobicContact CE-CD 3.65Å; M200-K233 HydrophobicContact SD-CB 4.3Å; M200-L234 HydrophobicContact CG-CD2 3.57Å; M200-L234 HydrophobicContact SD-CD2 3.82Å |
| 201 | Y | 97.9 | Very high | 97.4 | Very high | 11 Ų | 11 | 26 Ų | 26 | 4% | 0.043 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 128.2 | -176.8 | 174.2 | -78.5 | 0 | 0 | 0 | 111.6 | F85 V89 V106 S195 Q196 L198 V203 K560 | F85-Y201 HydrophobicContact CD1-CD1 4.43Å; F85-Y201 AromaticContact CD1-CE1 3.68Å; F85-Y201 HydrophobicContact CD1-CE1 3.68Å; F85-Y201 HydrophobicContact CD1-CE2 4.29Å; F85-Y201 AromaticContact CD1-CZ 3.61Å; F85-Y201 HydrophobicContact CE1-CE1 4.33Å; F85-Y201 HydrophobicContact CE1-CE2 4.23Å; F85-Y201 HydrophobicContact CG-CE1 4.43Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.49Å; V106-Y201 HydrophobicContact CG1-CD2 4.08Å; V106-Y201 HydrophobicContact CG1-CE2 4.01Å; V106-Y201 HydrophobicContact CG2-CD2 4.32Å; V106-Y201 HydrophobicContact CG2-CE2 3.72Å; S195-Y201 VanDerWaalsContact O-CB 3.29Å; S195-Y201 WeakPolarHBondContact O-CB 2.91Å; S195-Y201 WeakPolarHBondContact O-CD2 3.35Å; Q196-Y201 HydrophobicContact CB-CD1 3.98Å; Q196-Y201 HydrophobicContact CB-CE1 3.64Å; Q196-Y201 HydrophobicContact CB-CE2 4.21Å; Q196-Y201 HydrophobicContact CB-CG 4.43Å; L198-Y201 WeakPolarHBondContact O-CB 3.33Å; L198-Y201 PolarHBondContact O-N 3.12Å; Y201-V203 PolarHBondContact O-N 3.16Å; Y201-K560 PolarHBondContact O-NZ 2.96Å |
| 202 | G | 96.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -6.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | M200 N204 | M200-G202 PolarHBondContact O-N 3.11Å; G202-N204 PolarHBondContact O-ND2 3.27Å |
| 203 | V | 97.6 | Very high | 97 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | trans | -86.1 | 116.3 | -170.4 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | M200 Y201 Y205 D221 Y228 | M200-V203 PolarHBondContact O-N 3.18Å; Y201-V203 PolarHBondContact O-N 3.16Å; V203-Y205 HydrophobicContact CB-CD2 4.34Å; V203-Y205 HydrophobicContact CB-CE2 3.68Å; V203-Y205 HydrophobicContact CG1-CD1 4.17Å; V203-Y205 HydrophobicContact CG1-CD2 4.07Å; V203-Y205 HydrophobicContact CG1-CE1 3.8Å; V203-Y205 HydrophobicContact CG1-CE2 3.67Å; V203-Y205 HydrophobicContact CG1-CG 4.29Å; V203-Y205 VanDerWaalsContact O-CD2 3.3Å; V203-Y205 WeakPolarHBondContact O-CD2 3.39Å; V203-Y205 WeakPolarHBondContact O-CE2 3.19Å; V203-Y205 PolarHBondContact O-N 3.16Å; V203-D221 HydrophobicContact CG2-CB 4.36Å; V203-Y228 HydrophobicContact CG1-CE2 4.41Å | ||
| 204 | N | 96.8 | Very high | 97 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.4 | 172.8 | -71 | -104.4 | 0 | 0 | 0 | 109.7 | G202 F206 G219 V220 L283 | G202-N204 PolarHBondContact O-ND2 3.27Å; N204-F206 HydrophobicContact CB-CE2 3.77Å; N204-F206 HydrophobicContact CB-CZ 4.22Å; N204-F206 WeakPolarHBondContact O-CD2 3.12Å; N204-F206 WeakPolarHBondContact O-CE2 3.4Å; N204-G219 WeakPolarHBondContact O-CA 3.4Å; N204-V220 HydrophobicContact CB-CB 4.36Å; N204-V220 WeakPolarHBondContact CB-O 3.17Å; N204-V220 PolarHBondContact N-O 2.66Å; N204-V220 PolarHBondContact ND2-O 2.94Å; N204-V220 PolarHBondContact O-N 3.31Å; N204-L283 HydrophobicContact CB-CD1 3.9Å |
| 205 | Y | 96.8 | Very high | 97 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.9 | -176.9 | -63.6 | -90.5 | 0 | 0 | 0 | 113.6 | M200 V203 L218 Y228 K233 | M200-Y205 HydrophobicContact CB-CE2 4.47Å; M200-Y205 HydrophobicContact CE-CE2 3.77Å; M200-Y205 WeakPolarHBondContact CG-OH 3.46Å; V203-Y205 HydrophobicContact CB-CD2 4.34Å; V203-Y205 HydrophobicContact CB-CE2 3.68Å; V203-Y205 HydrophobicContact CG1-CD1 4.17Å; V203-Y205 HydrophobicContact CG1-CD2 4.07Å; V203-Y205 HydrophobicContact CG1-CE1 3.8Å; V203-Y205 HydrophobicContact CG1-CE2 3.67Å; V203-Y205 HydrophobicContact CG1-CG 4.29Å; V203-Y205 VanDerWaalsContact O-CD2 3.3Å; V203-Y205 WeakPolarHBondContact O-CD2 3.39Å; V203-Y205 WeakPolarHBondContact O-CE2 3.19Å; V203-Y205 PolarHBondContact O-N 3.16Å; Y205-L218 CarbonylContact C-O 3.5Å; Y205-L218 WeakPolarHBondContact CA-O 3.26Å; Y205-Y228 HydrophobicContact CE1-CD1 4.31Å; Y205-Y228 HydrophobicContact CE1-CD2 4.21Å; Y205-Y228 HydrophobicContact CE1-CE1 4.05Å; Y205-Y228 AromaticContact CE1-CE2 3.98Å; Y205-Y228 HydrophobicContact CE1-CE2 3.98Å; Y205-Y228 HydrophobicContact CE1-CG 4.4Å; Y205-Y228 AromaticContact CE1-CZ 3.89Å; Y205-K233 HydrophobicContact CD1-CD 4.41Å; Y205-K233 HydrophobicContact CD1-CG 4.33Å; Y205-K233 HydrophobicContact CE1-CB 3.91Å; Y205-K233 HydrophobicContact CE1-CD 4.32Å; Y205-K233 HydrophobicContact CE1-CG 4.07Å; Y205-K233 HydrophobicContact CE2-CD 4.48Å; Y205-K233 PolarHBondContact OH-O 2.91Å |
| 206 | F | 96.6 | Very high | 97 | Very high | 34 Ų | 34 | 38 Ų | 38 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128 | 175.1 | -60 | -78.3 | 0 | 0 | 0 | 111.6 | N204 I208 R217 L218 V220 I276 I280 L283 | N204-F206 HydrophobicContact CB-CE2 3.77Å; N204-F206 HydrophobicContact CB-CZ 4.22Å; N204-F206 WeakPolarHBondContact O-CD2 3.12Å; N204-F206 WeakPolarHBondContact O-CE2 3.4Å; F206-I208 PolarHBondContact O-N 3.45Å; F206-R217 CarbonylContact O-C 3.35Å; F206-R217 VanDerWaalsContact O-CA 3.31Å; F206-R217 WeakPolarHBondContact O-CA 3.49Å; F206-L218 PolarHBondContact N-O 3.22Å; F206-L218 PolarHBondContact O-N 3.37Å; F206-V220 HydrophobicContact CD2-CG2 4.13Å; F206-V220 HydrophobicContact CE2-CG2 4.08Å; F206-I276 HydrophobicContact CB-CG2 4.39Å; F206-I276 HydrophobicContact CD1-CG2 3.7Å; F206-I276 HydrophobicContact CE1-CG2 4.44Å; F206-I276 HydrophobicContact CG-CG2 4.35Å; F206-I280 HydrophobicContact CB-CD1 3.95Å; F206-I280 HydrophobicContact CB-CG1 4.2Å; F206-I280 HydrophobicContact CD1-CD1 4.35Å; F206-I280 HydrophobicContact CD1-CG1 3.9Å; F206-I280 HydrophobicContact CD2-CD1 4.24Å; F206-I280 HydrophobicContact CD2-CG1 3.58Å; F206-I280 HydrophobicContact CE1-CG1 4.17Å; F206-I280 HydrophobicContact CE2-CG1 3.87Å; F206-I280 HydrophobicContact CG-CD1 3.9Å; F206-I280 HydrophobicContact CG-CG1 3.59Å; F206-I280 HydrophobicContact CZ-CG1 4.16Å; F206-L283 HydrophobicContact CE2-CD1 3.84Å; F206-L283 HydrophobicContact CZ-CD1 3.55Å |
| 207 | D | 96.7 | Very high | 97 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 39% | 0.39 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 124.5 | 169.8 | -81.9 | -23.5 | 0 | 0 | 0 | 110.4 | R217 K230 P272 | D207-R217 IonicContact OD1-NE 2.67Å; D207-K230 IonicContact OD1-NZ 2.7Å; D207-K230 PolarHBondContact OD1-NZ 3.26Å; D207-K230 IonicContact OD2-NZ 2.65Å; D207-K230 PolarHBondContact OD2-NZ 2.73Å; D207-P272 VanDerWaalsContact O-CD 3.24Å; D207-P272 WeakPolarHBondContact O-CD 3.1Å |
| 208 | I | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 171.1 | -178.8 | 60.1 | 154 | 0 | 0 | 0 | 111.1 | F206 L216 L218 I227 F269 Y270 F579 | F206-I208 PolarHBondContact O-N 3.45Å; I208-L216 HydrophobicContact CD1-CB 4.42Å; I208-L216 HydrophobicContact CG1-CB 4.11Å; I208-L216 PolarHBondContact N-O 2.87Å; I208-L216 PolarHBondContact O-N 3.34Å; I208-L218 HydrophobicContact CD1-CB 3.98Å; I208-L218 HydrophobicContact CG1-CB 4.23Å; I208-L218 HydrophobicContact CG2-CB 4.12Å; I208-I227 HydrophobicContact CD1-CD1 4.31Å; I208-F269 HydrophobicContact CB-CB 4.43Å; I208-F269 HydrophobicContact CB-CD2 3.82Å; I208-F269 HydrophobicContact CB-CE2 4.45Å; I208-F269 HydrophobicContact CB-CG 4.33Å; I208-F269 HydrophobicContact CD1-CB 3.89Å; I208-F269 HydrophobicContact CD1-CD1 4.35Å; I208-F269 HydrophobicContact CD1-CD2 4.2Å; I208-F269 HydrophobicContact CD1-CG 3.91Å; I208-F269 HydrophobicContact CG2-CD2 3.44Å; I208-F269 VanDerWaalsContact CG2-CD2 3.44Å; I208-F269 HydrophobicContact CG2-CE2 3.58Å; I208-F269 HydrophobicContact CG2-CG 4.28Å; I208-F269 HydrophobicContact CG2-CZ 4.49Å; I208-Y270 CarbonylContact C-O 3.53Å; I208-Y270 WeakPolarHBondContact CA-O 3.49Å; I208-F579 HydrophobicContact CD1-CE2 4.14Å; I208-F579 HydrophobicContact CD1-CZ 4.34Å |
| 209 | K | 98.1 | Very high | 97.1 | Very high | 74 Ų | 74 | 38.4 Ų | 38.4 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145.6 | 169.1 | -68.2 | 175.1 | 174.8 | -81.7 | 0 | 111.7 | G213 T214 E215 F269 Y270 | K209-G213 WeakPolarHBondContact CD-O 3.09Å; K209-G213 PolarHBondContact NZ-O 2.94Å; K209-T214 VanDerWaalsContact CA-O 3.26Å; K209-T214 WeakPolarHBondContact CA-O 3.14Å; K209-E215 WeakPolarHBondContact CE-OE1 3.12Å; K209-E215 IonicContact NZ-OE1 3.33Å; K209-E215 PolarHBondContact NZ-OE1 2.81Å; K209-F269 CarbonylContact O-C 3.53Å; K209-F269 WeakPolarHBondContact O-CA 3.46Å; K209-F269 WeakPolarHBondContact O-CB 3.38Å; K209-Y270 PolarHBondContact N-O 2.95Å; K209-Y270 PolarHBondContact O-N 3.46Å |
| 210 | N | 96.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | trans | -78.5 | -172.7 | 168.5 | 72 | 2.5 | 0 | 0 | 0 | 111.2 | K212 G213 T214 L216 F579 L582 | N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.71Å; N210-K212 WeakPolarHBondContact OD1-CB 3.48Å; N210-K212 PolarHBondContact OD1-N 2.74Å; N210-K212 VanDerWaalsContact OD1-N 3.11Å; N210-G213 PolarHBondContact O-N 2.64Å; N210-G213 PolarHBondContact OD1-N 2.93Å; N210-G213 VanDerWaalsContact OD1-N 3.07Å; N210-T214 PolarHBondContact OD1-N 3.08Å; N210-T214 VanDerWaalsContact OD1-N 3.13Å; N210-L216 HydrophobicContact CB-CD1 4.31Å; N210-F579 HydrophobicContact CB-CD1 4.04Å; N210-F579 HydrophobicContact CB-CE1 3.34Å; N210-F579 HydrophobicContact CB-CE2 4.18Å; N210-F579 HydrophobicContact CB-CZ 3.43Å; N210-F579 VanDerWaalsContact CB-CZ 3.43Å; N210-F579 PolarHBondContact ND2-O 2.96Å; N210-L582 PolarHBondContact ND2-OXT 2.72Å | ||
| 211 | K | 95 | Very high | 97.1 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 50% | 0.496 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.9 | -179.1 | -63.5 | 175.9 | -172.3 | 84 | 0 | 113.4 | Y270 E580 | K211-Y270 HydrophobicContact CG-CE2 4.27Å; K211-E580 WeakPolarHBondContact CB-OE2 3.37Å; K211-E580 WeakPolarHBondContact CG-OE1 3.11Å; K211-E580 WeakPolarHBondContact CG-OE2 3.48Å; K211-E580 PolarHBondContact N-OE2 3.19Å; K211-E580 IonicContact NZ-OE1 2.6Å; K211-E580 PolarHBondContact NZ-OE1 3.35Å |
| 212 | K | 94.9 | Very high | 97 | Very high | 134 Ų | 134 | 37.1 Ų | 37.1 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.8 | 173.7 | -70.5 | 164.5 | 166 | 167.3 | 0 | 113.2 | N210 E580 A581 L582 | N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.71Å; N210-K212 WeakPolarHBondContact OD1-CB 3.48Å; N210-K212 PolarHBondContact OD1-N 2.74Å; N210-K212 VanDerWaalsContact OD1-N 3.11Å; K212-E580 WeakPolarHBondContact CD-O 3.43Å; K212-E580 WeakPolarHBondContact CE-O 3.05Å; K212-E580 PolarHBondContact NZ-O 3.15Å; K212-A581 PolarHBondContact NZ-O 3.07Å; K212-L582 VanDerWaalsContact CD-OXT 3.26Å; K212-L582 WeakPolarHBondContact CD-OXT 3.45Å; K212-L582 PolarHBondContact NZ-OXT 2.73Å |
| 213 | G | 94.6 | Very high | 96.9 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | trans | 98.3 | 4.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K209 N210 E215 | K209-G213 WeakPolarHBondContact CD-O 3.09Å; K209-G213 PolarHBondContact NZ-O 2.94Å; N210-G213 PolarHBondContact O-N 2.64Å; N210-G213 PolarHBondContact OD1-N 2.93Å; N210-G213 VanDerWaalsContact OD1-N 3.07Å; G213-E215 PolarHBondContact O-N 3.18Å | ||
| 214 | T | 97.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 28% | 0.276 | 18% | 0.178 | S | C | . | . | trans | -51.9 | 131.8 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | K209 N210 L216 L582 | K209-T214 VanDerWaalsContact CA-O 3.26Å; K209-T214 WeakPolarHBondContact CA-O 3.14Å; N210-T214 PolarHBondContact OD1-N 3.08Å; N210-T214 VanDerWaalsContact OD1-N 3.13Å; T214-L216 HydrophobicContact CG2-CD2 4.07Å; T214-L216 HydrophobicContact CG2-CG 4.11Å; T214-L216 PolarHBondContact O-N 3.17Å; T214-L582 WeakPolarHBondContact CB-O 3.13Å; T214-L582 WeakPolarHBondContact CG2-O 3.3Å; T214-L582 VanDerWaalsContact OG1-C 3.29Å; T214-L582 PolarHBondContact OG1-O 3.33Å; T214-L582 PolarHBondContact OG1-OXT 2.64Å; T214-L582 VanDerWaalsContact OG1-OXT 3.12Å | ||
| 215 | E | 97.8 | Very high | 96.9 | Very high | 88 Ų | 88 | 34.4 Ų | 34.4 | 41% | 0.411 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118.5 | 176.8 | -61.8 | -103.5 | 146.3 | 0 | 0 | 109.7 | K209 G213 K230 | K209-E215 WeakPolarHBondContact CE-OE1 3.12Å; K209-E215 IonicContact NZ-OE1 3.33Å; K209-E215 PolarHBondContact NZ-OE1 2.81Å; G213-E215 PolarHBondContact O-N 3.18Å; E215-K230 HydrophobicContact CB-CB 4.16Å; E215-K230 HydrophobicContact CB-CD 4.01Å; E215-K230 HydrophobicContact CB-CG 4.08Å; E215-K230 VanDerWaalsContact OE2-CE 3.29Å; E215-K230 WeakPolarHBondContact OE2-CE 3.05Å; E215-K230 IonicContact OE2-NZ 3.18Å; E215-K230 PolarHBondContact OE2-NZ 2.81Å |
| 216 | L | 98 | Very high | 97 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 167.5 | -178.9 | -63.3 | 172.8 | 0 | 0 | 0 | 109.8 | I208 N210 T214 I227 F579 L582 | I208-L216 HydrophobicContact CD1-CB 4.42Å; I208-L216 HydrophobicContact CG1-CB 4.11Å; I208-L216 PolarHBondContact N-O 2.87Å; I208-L216 PolarHBondContact O-N 3.34Å; N210-L216 HydrophobicContact CB-CD1 4.31Å; T214-L216 HydrophobicContact CG2-CD2 4.07Å; T214-L216 HydrophobicContact CG2-CG 4.11Å; T214-L216 PolarHBondContact O-N 3.17Å; L216-I227 HydrophobicContact CB-CG2 4.33Å; L216-I227 HydrophobicContact CD1-CG2 4.15Å; L216-F579 HydrophobicContact CD1-CD2 4.04Å; L216-F579 HydrophobicContact CD1-CE2 3.58Å; L216-F579 HydrophobicContact CD1-CZ 4.28Å; L216-L582 HydrophobicContact CD1-CB 4.34Å; L216-L582 HydrophobicContact CD1-CD1 4.02Å; L216-L582 HydrophobicContact CD2-CB 4.44Å; L216-L582 HydrophobicContact CD2-CD1 3.98Å |
| 217 | R | 97.9 | Very high | 97 | Very high | 42 Ų | 42 | 30.6 Ų | 30.6 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137.6 | 166.8 | -64.7 | -175.3 | -175.5 | 113.9 | 7.3 | 111.4 | F206 D207 I227 Y228 K230 | F206-R217 CarbonylContact O-C 3.35Å; F206-R217 VanDerWaalsContact O-CA 3.31Å; F206-R217 WeakPolarHBondContact O-CA 3.49Å; D207-R217 IonicContact OD1-NE 2.67Å; R217-I227 WeakPolarHBondContact O-CA 3.11Å; R217-Y228 PolarHBondContact N-O 3.45Å; R217-Y228 PolarHBondContact O-N 2.98Å; R217-K230 PolarHBondContact NH1-O 3.42Å; R217-K230 PolarHBondContact NH2-O 2.91Å |
| 218 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.1 | 164.6 | 178.6 | 72.3 | 0 | 0 | 0 | 108.4 | Y205 F206 I208 V220 L225 I227 F269 I280 | Y205-L218 CarbonylContact C-O 3.5Å; Y205-L218 WeakPolarHBondContact CA-O 3.26Å; F206-L218 PolarHBondContact N-O 3.22Å; F206-L218 PolarHBondContact O-N 3.37Å; I208-L218 HydrophobicContact CD1-CB 3.98Å; I208-L218 HydrophobicContact CG1-CB 4.23Å; I208-L218 HydrophobicContact CG2-CB 4.12Å; L218-V220 HydrophobicContact CD2-CG2 3.84Å; L218-V220 HydrophobicContact CG-CG2 4.01Å; L218-L225 HydrophobicContact CD1-CB 4.22Å; L218-L225 HydrophobicContact CD1-CD2 4.26Å; L218-I227 HydrophobicContact CD1-CD1 3.61Å; L218-F269 HydrophobicContact CD2-CE1 3.88Å; L218-F269 HydrophobicContact CD2-CE2 4.27Å; L218-F269 HydrophobicContact CD2-CZ 3.52Å; L218-I280 HydrophobicContact CD2-CD1 4.25Å; L218-I280 HydrophobicContact CD2-CG2 3.89Å |
| 219 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N204 N226 | N204-G219 WeakPolarHBondContact O-CA 3.4Å; G219-N226 PolarHBondContact N-O 3.02Å; G219-N226 PolarHBondContact O-N 3.47Å |
| 220 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.6 | 170.4 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | N204 F206 L218 L225 W242 I280 L283 | N204-V220 HydrophobicContact CB-CB 4.36Å; N204-V220 WeakPolarHBondContact CB-O 3.17Å; N204-V220 PolarHBondContact N-O 2.66Å; N204-V220 PolarHBondContact ND2-O 2.94Å; N204-V220 PolarHBondContact O-N 3.31Å; F206-V220 HydrophobicContact CD2-CG2 4.13Å; F206-V220 HydrophobicContact CE2-CG2 4.08Å; L218-V220 HydrophobicContact CD2-CG2 3.84Å; L218-V220 HydrophobicContact CG-CG2 4.01Å; V220-L225 HydrophobicContact CB-CD2 4.18Å; V220-L225 HydrophobicContact CG1-CD2 3.95Å; V220-L225 HydrophobicContact CG2-CD2 3.8Å; V220-W242 HydrophobicContact CG1-CH2 4.15Å; V220-W242 HydrophobicContact CG1-CZ2 4.04Å; V220-I280 HydrophobicContact CG2-CG2 4.38Å; V220-L283 HydrophobicContact CG1-CB 4.06Å |
| 221 | D | 97.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | trans | -141.8 | -175.8 | -177.8 | 61.6 | 52.4 | 0 | 0 | 0 | 112.2 | V203 L223 G224 N226 W242 N287 | V203-D221 HydrophobicContact CG2-CB 4.36Å; D221-L223 PolarHBondContact O-N 2.91Å; D221-L223 WeakPolarHBondContact OD1-CA 3.13Å; D221-L223 WeakPolarHBondContact OD1-CB 3.37Å; D221-L223 PolarHBondContact OD1-N 3.48Å; D221-G224 PolarHBondContact N-O 3.21Å; D221-G224 PolarHBondContact OD1-N 2.66Å; D221-N226 PolarHBondContact OD2-ND2 3.07Å; D221-W242 WeakPolarHBondContact O-CZ2 3.37Å; D221-W242 PolarHBondContact O-NE1 3.44Å; D221-N287 WeakPolarHBondContact O-CB 3.26Å | ||
| 222 | A | 96.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -69.5 | -18.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E87 W242 | E87-A222 HydrophobicContact CG-CB 3.98Å; A222-W242 PolarHBondContact O-NE1 2.93Å |
| 223 | L | 94.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -100.7 | -20.8 | -174.6 | -59.5 | 167.9 | 0 | 0 | 0 | 112.6 | E87 D221 E510 Y561 L564 R568 | E87-L223 HydrophobicContact CB-CD2 4.2Å; E87-L223 HydrophobicContact CG-CD2 3.76Å; D221-L223 PolarHBondContact O-N 2.91Å; D221-L223 WeakPolarHBondContact OD1-CA 3.13Å; D221-L223 WeakPolarHBondContact OD1-CB 3.37Å; D221-L223 PolarHBondContact OD1-N 3.48Å; L223-E510 HydrophobicContact CD2-CB 3.9Å; L223-Y561 HydrophobicContact CD1-CE1 4.26Å; L223-L564 HydrophobicContact CD1-CD1 3.72Å; L223-R568 PolarHBondContact O-NH2 3.07Å |
| 224 | G | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.8 | -146.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D221 F240 W242 | D221-G224 PolarHBondContact N-O 3.21Å; D221-G224 PolarHBondContact OD1-N 2.66Å; G224-F240 WeakPolarHBondContact CA-O 3.2Å; G224-W242 WeakPolarHBondContact O-CZ2 3.34Å |
| 225 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.8 | 173.2 | -63.3 | -178 | 0 | 0 | 0 | 109.9 | L218 V220 G239 F240 W242 I245 I257 | L218-L225 HydrophobicContact CD1-CB 4.22Å; L218-L225 HydrophobicContact CD1-CD2 4.26Å; V220-L225 HydrophobicContact CB-CD2 4.18Å; V220-L225 HydrophobicContact CG1-CD2 3.95Å; V220-L225 HydrophobicContact CG2-CD2 3.8Å; L225-G239 WeakPolarHBondContact O-CA 3.3Å; L225-F240 HydrophobicContact CB-CB 4.45Å; L225-F240 PolarHBondContact N-O 2.94Å; L225-F240 PolarHBondContact O-N 2.71Å; L225-W242 HydrophobicContact CD1-CH2 4.41Å; L225-W242 HydrophobicContact CD1-CZ3 4.29Å; L225-W242 HydrophobicContact CD2-CH2 3.47Å; L225-W242 VanDerWaalsContact CD2-CH2 3.47Å; L225-W242 HydrophobicContact CD2-CZ2 4.1Å; L225-W242 HydrophobicContact CD2-CZ3 4.16Å; L225-W242 HydrophobicContact CG-CH2 3.73Å; L225-W242 HydrophobicContact CG-CZ2 4.44Å; L225-W242 HydrophobicContact CG-CZ3 3.94Å; L225-I245 HydrophobicContact CD1-CD1 3.66Å; L225-I245 HydrophobicContact CG-CD1 3.91Å; L225-I257 HydrophobicContact CD1-CD1 3.4Å; L225-I257 HydrophobicContact CD1-CG1 4.3Å |
| 226 | N | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.011 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.9 | -175.8 | -65.7 | -47.5 | 0 | 0 | 0 | 110.1 | G219 D221 Y228 P236 L564 | G219-N226 PolarHBondContact N-O 3.02Å; G219-N226 PolarHBondContact O-N 3.47Å; D221-N226 PolarHBondContact OD2-ND2 3.07Å; N226-Y228 HydrophobicContact CB-CE2 3.68Å; N226-P236 HydrophobicContact CB-CB 3.99Å; N226-L564 WeakPolarHBondContact OD1-CD2 3.5Å |
| 227 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.7 | 179 | -48.5 | -60.2 | 0 | 0 | 0 | 110.1 | I208 L216 R217 L218 P236 K237 I238 F267 F579 | I208-I227 HydrophobicContact CD1-CD1 4.31Å; L216-I227 HydrophobicContact CB-CG2 4.33Å; L216-I227 HydrophobicContact CD1-CG2 4.15Å; R217-I227 WeakPolarHBondContact O-CA 3.11Å; L218-I227 HydrophobicContact CD1-CD1 3.61Å; I227-P236 CarbonylContact O-C 3.53Å; I227-P236 WeakPolarHBondContact O-CA 3.5Å; I227-K237 PolarHBondContact O-N 3.07Å; I227-I238 HydrophobicContact CB-CB 4.23Å; I227-I238 HydrophobicContact CG1-CB 4.34Å; I227-I238 PolarHBondContact N-O 3.26Å; I227-F267 HydrophobicContact CD1-CE1 4.41Å; I227-F267 HydrophobicContact CD1-CZ 3.71Å; I227-F267 HydrophobicContact CG1-CZ 4.35Å; I227-F579 HydrophobicContact CD1-CD2 4.39Å; I227-F579 HydrophobicContact CD1-CE2 4.25Å; I227-F579 HydrophobicContact CG1-CD2 4.04Å; I227-F579 HydrophobicContact CG1-CE2 4.37Å; I227-F579 HydrophobicContact CG2-CD2 3.94Å; I227-F579 HydrophobicContact CG2-CE2 4.05Å |
| 228 | Y | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 2% | 0.02 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 153 | -179 | -54.1 | -108.9 | 0 | 0 | 0 | 110 | V203 Y205 R217 N226 D232 K233 P236 | V203-Y228 HydrophobicContact CG1-CE2 4.41Å; Y205-Y228 HydrophobicContact CE1-CD1 4.31Å; Y205-Y228 HydrophobicContact CE1-CD2 4.21Å; Y205-Y228 HydrophobicContact CE1-CE1 4.05Å; Y205-Y228 AromaticContact CE1-CE2 3.98Å; Y205-Y228 HydrophobicContact CE1-CE2 3.98Å; Y205-Y228 HydrophobicContact CE1-CG 4.4Å; Y205-Y228 AromaticContact CE1-CZ 3.89Å; R217-Y228 PolarHBondContact N-O 3.45Å; R217-Y228 PolarHBondContact O-N 2.98Å; N226-Y228 HydrophobicContact CB-CE2 3.68Å; Y228-D232 WeakPolarHBondContact CB-O 3.25Å; Y228-K233 WeakPolarHBondContact CD1-O 3.3Å; Y228-K233 WeakPolarHBondContact CE1-O 3.3Å; Y228-P236 HydrophobicContact CD1-CB 3.99Å; Y228-P236 HydrophobicContact CD2-CB 4.41Å; Y228-P236 HydrophobicContact CE1-CB 3.71Å; Y228-P236 VanDerWaalsContact CE1-CD 3.49Å; Y228-P236 HydrophobicContact CE1-CG 4.03Å; Y228-P236 HydrophobicContact CE2-CB 4.12Å; Y228-P236 HydrophobicContact CG-CB 4.34Å |
| 229 | E | 96.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 21.7 Ų | 21.7 | 35% | 0.35 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 166.4 | 167.7 | -77.8 | 156.6 | -159.3 | 0 | 0 | 111.2 | D231 D232 K237 | E229-D231 PolarHBondContact O-N 3.25Å; E229-D232 VanDerWaalsContact O-O 3.13Å; E229-K237 HydrophobicContact CG-CG 4.37Å; E229-K237 IonicContact OE1-NZ 2.8Å; E229-K237 PolarHBondContact OE1-NZ 2.85Å; E229-K237 IonicContact OE2-NZ 3.43Å; E229-K237 PolarHBondContact OE2-NZ 2.97Å |
| 230 | K | 94.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 22 Ų | 22 | 21% | 0.213 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -63.3 | -26.5 | -176.6 | -171.5 | 56.4 | 171.5 | -155.9 | 0 | 113.6 | D207 E215 R217 | D207-K230 IonicContact OD1-NZ 2.7Å; D207-K230 PolarHBondContact OD1-NZ 3.26Å; D207-K230 IonicContact OD2-NZ 2.65Å; D207-K230 PolarHBondContact OD2-NZ 2.73Å; E215-K230 HydrophobicContact CB-CB 4.16Å; E215-K230 HydrophobicContact CB-CD 4.01Å; E215-K230 HydrophobicContact CB-CG 4.08Å; E215-K230 VanDerWaalsContact OE2-CE 3.29Å; E215-K230 WeakPolarHBondContact OE2-CE 3.05Å; E215-K230 IonicContact OE2-NZ 3.18Å; E215-K230 PolarHBondContact OE2-NZ 2.81Å; R217-K230 PolarHBondContact NH1-O 3.42Å; R217-K230 PolarHBondContact NH2-O 2.91Å |
| 231 | D | 93.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 22 Ų | 22 | 57% | 0.572 | 11% | 0.106 | S | C | * | . | S | Bend | trans | -117.5 | 0.2 | -168.5 | -57.5 | -46.4 | 0 | 0 | 0 | 113.8 | E229 Q545 | E229-D231 PolarHBondContact O-N 3.25Å; D231-Q545 PolarHBondContact O-NE2 3.19Å |
| 232 | D | 96.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.053 | 10% | 0.104 | C | C | . | . | trans | -116.7 | 131.7 | 170.3 | -171 | -12.6 | 0 | 0 | 0 | 109.3 | Y228 E229 L234 T235 L549 | Y228-D232 WeakPolarHBondContact CB-O 3.25Å; E229-D232 VanDerWaalsContact O-O 3.13Å; D232-L234 WeakPolarHBondContact OD1-CA 3.43Å; D232-L234 PolarHBondContact OD1-N 2.91Å; D232-T235 PolarHBondContact OD1-N 3.45Å; D232-T235 WeakPolarHBondContact OD2-CB 3.35Å; D232-T235 PolarHBondContact OD2-OG1 2.68Å; D232-L549 HydrophobicContact CB-CD1 4.11Å; D232-L549 HydrophobicContact CB-CD2 4.43Å | ||
| 233 | K | 95.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 22.2 Ų | 22.2 | 31% | 0.313 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -113.5 | -11.5 | 171.1 | -71.9 | -167.9 | -175.1 | 176.1 | 0 | 113.3 | M200 Y205 Y228 | M200-K233 HydrophobicContact CE-CB 4.26Å; M200-K233 HydrophobicContact CE-CD 3.65Å; M200-K233 HydrophobicContact SD-CB 4.3Å; Y205-K233 HydrophobicContact CD1-CD 4.41Å; Y205-K233 HydrophobicContact CD1-CG 4.33Å; Y205-K233 HydrophobicContact CE1-CB 3.91Å; Y205-K233 HydrophobicContact CE1-CD 4.32Å; Y205-K233 HydrophobicContact CE1-CG 4.07Å; Y205-K233 HydrophobicContact CE2-CD 4.48Å; Y205-K233 PolarHBondContact OH-O 2.91Å; Y228-K233 WeakPolarHBondContact CD1-O 3.3Å; Y228-K233 WeakPolarHBondContact CE1-O 3.3Å |
| 234 | L | 96 | Very high | 96.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -89.6 | -43.1 | -176.2 | -50.8 | -172.7 | 0 | 0 | 0 | 110.1 | Y116 E199 M200 D232 P236 N546 L549 H550 | Y116-L234 HydrophobicContact CD1-CD1 4.01Å; Y116-L234 HydrophobicContact CD1-CD2 3.98Å; Y116-L234 HydrophobicContact CE1-CD1 4.26Å; Y116-L234 HydrophobicContact CG-CD1 4.45Å; Y116-L234 HydrophobicContact CG-CD2 4.06Å; E199-L234 HydrophobicContact CB-CB 4.08Å; E199-L234 HydrophobicContact CB-CD2 4.28Å; E199-L234 WeakPolarHBondContact CB-O 3.31Å; E199-L234 HydrophobicContact CG-CB 4.24Å; M200-L234 HydrophobicContact CG-CD2 3.57Å; M200-L234 HydrophobicContact SD-CD2 3.82Å; D232-L234 WeakPolarHBondContact OD1-CA 3.43Å; D232-L234 PolarHBondContact OD1-N 2.91Å; L234-P236 WeakPolarHBondContact O-CD 3.47Å; L234-N546 HydrophobicContact CD1-CB 4.28Å; L234-N546 WeakPolarHBondContact CD1-O 3.41Å; L234-L549 HydrophobicContact CD1-CB 3.99Å; L234-H550 HydrophobicContact CD1-CB 3.8Å |
| 235 | T | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | trans | -102.6 | 96.8 | -175.3 | -24.2 | 0 | 0 | 0 | 0 | 111.2 | D232 K237 N553 T563 | D232-T235 PolarHBondContact OD1-N 3.45Å; D232-T235 WeakPolarHBondContact OD2-CB 3.35Å; D232-T235 PolarHBondContact OD2-OG1 2.68Å; T235-K237 WeakPolarHBondContact O-CE 3.25Å; T235-N553 PolarHBondContact OG1-ND2 2.7Å; T235-N553 PolarHBondContact OG1-OD1 2.92Å; T235-T563 HydrophobicContact CG2-CG2 4.24Å | ||
| 236 | P | 97.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.065 | 12% | 0.122 | C | C | . | . | trans | -63.9 | 152 | 165 | 28.7 | -33.5 | 0 | 0 | 0 | 110 | N226 I227 Y228 L234 T563 I567 | N226-P236 HydrophobicContact CB-CB 3.99Å; I227-P236 CarbonylContact O-C 3.53Å; I227-P236 WeakPolarHBondContact O-CA 3.5Å; Y228-P236 HydrophobicContact CD1-CB 3.99Å; Y228-P236 HydrophobicContact CD2-CB 4.41Å; Y228-P236 HydrophobicContact CE1-CB 3.71Å; Y228-P236 VanDerWaalsContact CE1-CD 3.49Å; Y228-P236 HydrophobicContact CE1-CG 4.03Å; Y228-P236 HydrophobicContact CE2-CB 4.12Å; Y228-P236 HydrophobicContact CG-CB 4.34Å; L234-P236 WeakPolarHBondContact O-CD 3.47Å; P236-T563 HydrophobicContact CG-CG2 4.03Å; P236-I567 HydrophobicContact CB-CD1 3.67Å; P236-I567 HydrophobicContact CG-CD1 3.65Å; P236-I567 WeakPolarHBondContact O-CG2 3.24Å | ||
| 237 | K | 96.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 27.6 Ų | 27.6 | 34% | 0.335 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -108.9 | -27.2 | -179 | -51.5 | -54.7 | 175.6 | 88.2 | 0 | 112.9 | I227 E229 T235 I567 | I227-K237 PolarHBondContact O-N 3.07Å; E229-K237 HydrophobicContact CG-CG 4.37Å; E229-K237 IonicContact OE1-NZ 2.8Å; E229-K237 PolarHBondContact OE1-NZ 2.85Å; E229-K237 IonicContact OE2-NZ 3.43Å; E229-K237 PolarHBondContact OE2-NZ 2.97Å; T235-K237 WeakPolarHBondContact O-CE 3.25Å; K237-I567 WeakPolarHBondContact O-CG2 3.41Å |
| 238 | I | 97.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.6 | -178.4 | -53.9 | 175 | 0 | 0 | 0 | 108.7 | I227 F240 R575 E578 F579 L582 | I227-I238 HydrophobicContact CB-CB 4.23Å; I227-I238 HydrophobicContact CG1-CB 4.34Å; I227-I238 PolarHBondContact N-O 3.26Å; I238-F240 HydrophobicContact CG2-CE2 3.87Å; I238-F240 HydrophobicContact CG2-CZ 3.88Å; I238-R575 HydrophobicContact CG2-CB 3.78Å; I238-R575 HydrophobicContact CG2-CG 4.15Å; I238-R575 WeakPolarHBondContact CG2-O 3.34Å; I238-E578 HydrophobicContact CD1-CB 3.91Å; I238-F579 VanDerWaalsContact CD1-CA 3.43Å; I238-F579 HydrophobicContact CD1-CB 3.77Å; I238-F579 VanDerWaalsContact CD1-N 3.3Å; I238-L582 HydrophobicContact CD1-CD1 4.04Å |
| 239 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L225 I567 R575 | L225-G239 WeakPolarHBondContact O-CA 3.3Å; G239-I567 PolarHBondContact N-O 2.98Å; G239-R575 WeakPolarHBondContact O-CD 3.41Å; G239-R575 PolarHBondContact O-NH1 2.6Å |
| 240 | F | 96.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 111.6 | 173.3 | -57.4 | -78.5 | 0 | 0 | 0 | 108.7 | G224 L225 I238 I245 F267 T572 R575 I576 | G224-F240 WeakPolarHBondContact CA-O 3.2Å; L225-F240 HydrophobicContact CB-CB 4.45Å; L225-F240 PolarHBondContact N-O 2.94Å; L225-F240 PolarHBondContact O-N 2.71Å; I238-F240 HydrophobicContact CG2-CE2 3.87Å; I238-F240 HydrophobicContact CG2-CZ 3.88Å; F240-I245 HydrophobicContact CB-CD1 4.37Å; F240-F267 HydrophobicContact CD2-CD1 4.34Å; F240-F267 HydrophobicContact CD2-CE1 4.25Å; F240-F267 HydrophobicContact CE2-CD1 4.18Å; F240-F267 HydrophobicContact CE2-CD2 4.33Å; F240-F267 HydrophobicContact CE2-CE1 4.1Å; F240-F267 HydrophobicContact CE2-CE2 4.25Å; F240-F267 HydrophobicContact CE2-CG 4.34Å; F240-F267 HydrophobicContact CE2-CZ 4.16Å; F240-F267 HydrophobicContact CZ-CD2 4.48Å; F240-T572 HydrophobicContact CD1-CG2 3.94Å; F240-T572 HydrophobicContact CE1-CG2 3.97Å; F240-R575 HydrophobicContact CE1-CB 3.67Å; F240-R575 HydrophobicContact CZ-CB 3.91Å; F240-I576 HydrophobicContact CE1-CG1 3.85Å; F240-I576 HydrophobicContact CZ-CG1 3.79Å |
| 241 | P | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 156.8 | 175 | 29.8 | -34.8 | 0 | 0 | 0 | 110.7 | S243 E244 | P241-S243 PolarHBondContact O-N 3.1Å; P241-E244 HydrophobicContact CG-CB 4.04Å; P241-E244 HydrophobicContact CG-CG 3.78Å; P241-E244 PolarHBondContact O-N 2.89Å |
| 242 | W | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -60.5 | -30.8 | 176.8 | -72.4 | 125.2 | 0 | 0 | 0 | 112.9 | V220 D221 A222 G224 L225 E244 I245 I248 C284 N287 H288 Y291 | V220-W242 HydrophobicContact CG1-CH2 4.15Å; V220-W242 HydrophobicContact CG1-CZ2 4.04Å; D221-W242 WeakPolarHBondContact O-CZ2 3.37Å; D221-W242 PolarHBondContact O-NE1 3.44Å; A222-W242 PolarHBondContact O-NE1 2.93Å; G224-W242 WeakPolarHBondContact O-CZ2 3.34Å; L225-W242 HydrophobicContact CD1-CH2 4.41Å; L225-W242 HydrophobicContact CD1-CZ3 4.29Å; L225-W242 HydrophobicContact CD2-CH2 3.47Å; L225-W242 VanDerWaalsContact CD2-CH2 3.47Å; L225-W242 HydrophobicContact CD2-CZ2 4.1Å; L225-W242 HydrophobicContact CD2-CZ3 4.16Å; L225-W242 HydrophobicContact CG-CH2 3.73Å; L225-W242 HydrophobicContact CG-CZ2 4.44Å; L225-W242 HydrophobicContact CG-CZ3 3.94Å; W242-E244 PolarHBondContact O-N 3.23Å; W242-I245 HydrophobicContact CE3-CB 4.49Å; W242-I245 HydrophobicContact CE3-CD1 3.61Å; W242-I245 HydrophobicContact CZ3-CD1 3.72Å; W242-I245 PolarHBondContact O-N 2.87Å; W242-I245 VanDerWaalsContact O-N 3.1Å; W242-I248 HydrophobicContact CZ3-CD1 3.86Å; W242-C284 HydrophobicContact CH2-CB 3.59Å; W242-C284 HydrophobicContact CZ3-CB 3.98Å; W242-N287 HydrophobicContact CZ2-CB 3.7Å; W242-H288 HydrophobicContact CD2-CB 4.03Å; W242-H288 HydrophobicContact CE3-CB 3.87Å; W242-H288 AromaticContact CE3-ND1 3.79Å; W242-H288 HydrophobicContact CG-CB 4.42Å; W242-H288 HydrophobicContact CZ3-CB 4.43Å; W242-H288 PolarHBondContact O-CE1 2.9Å; W242-H288 VanDerWaalsContact O-CE1 3.25Å; W242-H288 PolarHBondContact O-ND1 3.44Å; W242-Y291 HydrophobicContact CB-CD1 3.4Å; W242-Y291 HydrophobicContact CB-CD2 3.67Å; W242-Y291 HydrophobicContact CB-CE1 3.65Å; W242-Y291 HydrophobicContact CB-CE2 3.89Å; W242-Y291 HydrophobicContact CB-CG 3.42Å; W242-Y291 VanDerWaalsContact CB-CG 3.42Å; W242-Y291 AromaticContact CD1-CD2 3.62Å; W242-Y291 AromaticContact CD1-CG 3.8Å; W242-Y291 HydrophobicContact CG-CD1 4.37Å; W242-Y291 HydrophobicContact CG-CD2 4.05Å; W242-Y291 AromaticContact CG-CG 3.94Å; W242-Y291 HydrophobicContact CG-CG 3.94Å |
| 243 | S | 92.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -64.4 | -12.4 | 172.2 | 53.7 | 0 | 0 | 0 | 0 | 115.1 | P241 I260 Y291 | P241-S243 PolarHBondContact O-N 3.1Å; S243-I260 WeakPolarHBondContact O-CD1 3.35Å; S243-Y291 VanDerWaalsContact CB-OH 3.26Å; S243-Y291 WeakPolarHBondContact CB-OH 3.33Å; S243-Y291 PolarHBondContact OG-OH 3.17Å |
| 244 | E | 93.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -95.5 | -3.2 | 172.9 | -79.9 | -179 | -153.2 | 0 | 0 | 113.5 | P241 W242 P259 I260 R508 T572 R575 | P241-E244 HydrophobicContact CG-CB 4.04Å; P241-E244 HydrophobicContact CG-CG 3.78Å; P241-E244 PolarHBondContact O-N 2.89Å; W242-E244 PolarHBondContact O-N 3.23Å; E244-P259 CarbonylContact O-C 3.36Å; E244-P259 WeakPolarHBondContact O-CA 3.35Å; E244-I260 PolarHBondContact O-N 3.15Å; E244-R508 IonicContact OE1-NH1 2.75Å; E244-R508 IonicContact OE1-NH2 3.62Å; E244-T572 VanDerWaalsContact CD-OG1 3.27Å; E244-T572 WeakPolarHBondContact OE2-CG2 3.29Å; E244-T572 PolarHBondContact OE2-OG1 3.13Å; E244-R575 IonicContact OE1-CZ 3.94Å; E244-R575 IonicContact OE1-NH1 2.66Å; E244-R575 IonicContact OE1-NH2 3.37Å; E244-R575 PolarHBondContact OE1-NH2 3.5Å; E244-R575 IonicContact OE2-CZ 2.6Å; E244-R575 IonicContact OE2-NH1 2.66Å; E244-R575 PolarHBondContact OE2-NH1 3.1Å; E244-R575 IonicContact OE2-NH2 2.7Å; E244-R575 PolarHBondContact OE2-NH2 3.45Å; E244-R575 VanDerWaalsContact OE2-NH2 3.13Å |
| 245 | I | 93.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.4 | -170.4 | -64.5 | 165.8 | 0 | 0 | 0 | 111.3 | L225 F240 W242 I248 I257 L499 | L225-I245 HydrophobicContact CD1-CD1 3.66Å; L225-I245 HydrophobicContact CG-CD1 3.91Å; F240-I245 HydrophobicContact CB-CD1 4.37Å; W242-I245 HydrophobicContact CE3-CB 4.49Å; W242-I245 HydrophobicContact CE3-CD1 3.61Å; W242-I245 HydrophobicContact CZ3-CD1 3.72Å; W242-I245 PolarHBondContact O-N 2.87Å; W242-I245 VanDerWaalsContact O-N 3.1Å; I245-I248 HydrophobicContact CG2-CD1 3.76Å; I245-I248 HydrophobicContact CG2-CG1 3.63Å; I245-I257 HydrophobicContact CD1-CG2 4.47Å; I245-I257 HydrophobicContact CG1-CG2 4.04Å; I245-I257 HydrophobicContact CG2-CG2 3.88Å; I245-L499 HydrophobicContact CG2-CD1 4.03Å |
| 246 | R | 91.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -45.7 | -180 | 155.1 | 166.5 | 53.7 | -135.1 | -3.5 | 113.9 | K258 P259 I260 D261 I501 | R246-K258 WeakPolarHBondContact CB-O 3.38Å; R246-K258 PolarHBondContact N-O 3.25Å; R246-P259 WeakPolarHBondContact CB-O 3.32Å; R246-P259 PolarHBondContact NE-O 3.29Å; R246-P259 PolarHBondContact NH2-O 2.78Å; R246-I260 HydrophobicContact CB-CG1 3.96Å; R246-I260 PolarHBondContact NH1-O 3.36Å; R246-I260 PolarHBondContact NH2-O 3.06Å; R246-I260 VanDerWaalsContact NH2-O 3.15Å; R246-D261 PolarHBondContact NH2-O 2.69Å; R246-D261 VanDerWaalsContact NH2-O 3.13Å; R246-I501 HydrophobicContact CB-CD1 3.8Å; R246-I501 HydrophobicContact CG-CD1 3.82Å |
| 247 | N | 92.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 144.6 | -171.9 | 175.1 | -98.3 | 0 | 0 | 0 | 110.1 | K258 D498 | N247-K258 HydrophobicContact CB-CB 4.41Å; N247-K258 PolarHBondContact N-O 3.33Å; N247-K258 PolarHBondContact O-N 2.67Å; N247-D498 PolarHBondContact ND2-OD1 2.77Å |
| 248 | I | 94.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126.2 | -172 | -52.8 | -176.3 | 0 | 0 | 0 | 108.5 | W242 I245 F255 I257 L281 C284 L499 | W242-I248 HydrophobicContact CZ3-CD1 3.86Å; I245-I248 HydrophobicContact CG2-CD1 3.76Å; I245-I248 HydrophobicContact CG2-CG1 3.63Å; I248-F255 HydrophobicContact CG2-CE1 3.35Å; I248-F255 HydrophobicContact CG2-CZ 3.37Å; I248-I257 HydrophobicContact CG1-CG1 4.42Å; I248-I257 HydrophobicContact CG2-CG1 4.08Å; I248-L281 HydrophobicContact CB-CD1 4.03Å; I248-L281 HydrophobicContact CG2-CD1 3.64Å; I248-L281 WeakPolarHBondContact O-CD1 3.16Å; I248-C284 HydrophobicContact CD1-CB 3.5Å; I248-C284 HydrophobicContact CG2-CB 4.4Å; I248-L499 HydrophobicContact CD1-CD1 3.81Å; I248-L499 HydrophobicContact CG1-CD1 3.87Å |
| 249 | S | 92.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 166.4 | -174.9 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | I256 | S249-I256 PolarHBondContact N-O 2.64Å; S249-I256 PolarHBondContact O-N 3.07Å; S249-I256 VanDerWaalsContact O-O 3.1Å; S249-I256 PolarHBondContact OG-O 3.25Å |
| 250 | F | 92.8 | Very high | 93.9 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 23% | 0.232 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 157.4 | 169.8 | 65.4 | -102.1 | 0 | 0 | 0 | 111.4 | K254 F255 L274 N277 K278 L281 | F250-K254 CarbonylContact C-O 3.42Å; F250-K254 VanDerWaalsContact CA-O 3.22Å; F250-K254 WeakPolarHBondContact CA-O 3.43Å; F250-K254 WeakPolarHBondContact CB-O 3.35Å; F250-F255 HydrophobicContact CB-CB 4.49Å; F250-F255 HydrophobicContact CB-CD2 3.65Å; F250-F255 HydrophobicContact CB-CE2 4.23Å; F250-F255 HydrophobicContact CB-CG 4.27Å; F250-F255 HydrophobicContact CD1-CD2 4.22Å; F250-F255 HydrophobicContact CD1-CE2 4Å; F250-F255 HydrophobicContact CG-CD2 4.34Å; F250-L274 HydrophobicContact CD2-CD1 4.09Å; F250-L274 HydrophobicContact CE2-CD1 3.54Å; F250-L274 HydrophobicContact CZ-CD1 4.45Å; F250-N277 HydrophobicContact CB-CB 3.98Å; F250-N277 HydrophobicContact CD1-CB 3.79Å; F250-N277 WeakPolarHBondContact CD1-O 3.2Å; F250-N277 HydrophobicContact CD2-CB 3.87Å; F250-N277 HydrophobicContact CE1-CB 4.25Å; F250-N277 WeakPolarHBondContact CE1-O 3.4Å; F250-N277 HydrophobicContact CE2-CB 4.37Å; F250-N277 HydrophobicContact CG-CB 3.6Å; F250-K278 HydrophobicContact CE1-CG 4.12Å; F250-K278 HydrophobicContact CE2-CG 4.27Å; F250-K278 HydrophobicContact CZ-CB 4.44Å; F250-K278 HydrophobicContact CZ-CG 3.48Å; F250-K278 VanDerWaalsContact CZ-CG 3.48Å; F250-L281 HydrophobicContact CD1-CB 4.07Å; F250-L281 HydrophobicContact CD1-CD2 3.96Å; F250-L281 HydrophobicContact CE1-CB 3.85Å; F250-L281 HydrophobicContact CE1-CD2 3.49Å; F250-L281 VanDerWaalsContact CE1-CD2 3.49Å; F250-L281 HydrophobicContact CE1-CG 4.27Å; F250-L281 HydrophobicContact CZ-CD2 4.48Å |
| 251 | N | 90.8 | Very high | 93.6 | Very high | 125 Ų | 125 | 42.1 Ų | 42.1 | 67% | 0.668 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 119.5 | 169.4 | -171.2 | 5.9 | 0 | 0 | 0 | 109.5 | K253 K254 | N251-K253 PolarHBondContact O-N 2.84Å; N251-K254 PolarHBondContact N-O 3.32Å; N251-K254 PolarHBondContact O-N 2.9Å |
| 252 | D | 91.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | -106.6 | -165 | -178.9 | 44.8 | 0 | 0 | 0 | 113 | N277 | D252-N277 PolarHBondContact O-ND2 2.78Š|
| 253 | K | 93.1 | Very high | 93.1 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 46% | 0.457 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -23.3 | 178.9 | -71.6 | 171.2 | -174.9 | 174.5 | 0 | 114 | N251 F255 Y270 A271 N277 | N251-K253 PolarHBondContact O-N 2.84Å; K253-F255 PolarHBondContact O-N 2.92Å; K253-Y270 WeakPolarHBondContact O-CA 3.27Å; K253-A271 WeakPolarHBondContact CB-O 3.5Å; K253-A271 WeakPolarHBondContact CG-O 3.35Å; K253-A271 PolarHBondContact O-N 2.89Å; K253-N277 WeakPolarHBondContact CA-ND2 3.41Å; K253-N277 PolarHBondContact O-ND2 3.38Å |
| 254 | K | 95.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.4 | -177.5 | -173.3 | -174.1 | -178 | -170.3 | 0 | 110.2 | F250 N251 I256 V268 Y270 | F250-K254 CarbonylContact C-O 3.42Å; F250-K254 VanDerWaalsContact CA-O 3.22Å; F250-K254 WeakPolarHBondContact CA-O 3.43Å; F250-K254 WeakPolarHBondContact CB-O 3.35Å; N251-K254 PolarHBondContact N-O 3.32Å; N251-K254 PolarHBondContact O-N 2.9Å; K254-I256 HydrophobicContact CD-CD1 4.07Å; K254-I256 HydrophobicContact CD-CG1 4.23Å; K254-I256 HydrophobicContact CG-CD1 4.46Å; K254-I256 HydrophobicContact CG-CG1 4.11Å; K254-V268 HydrophobicContact CD-CG1 4.31Å; K254-V268 HydrophobicContact CG-CG1 3.96Å; K254-Y270 HydrophobicContact CB-CD1 3.99Å; K254-Y270 HydrophobicContact CB-CE1 3.77Å; K254-Y270 HydrophobicContact CD-CE1 4.29Å; K254-Y270 HydrophobicContact CG-CD1 4.28Å; K254-Y270 HydrophobicContact CG-CE1 3.75Å |
| 255 | F | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 145.1 | 170.4 | -152.5 | -92.5 | 0 | 0 | 0 | 109.5 | I248 F250 K253 I257 V268 F269 N277 I280 L281 | I248-F255 HydrophobicContact CG2-CE1 3.35Å; I248-F255 HydrophobicContact CG2-CZ 3.37Å; F250-F255 HydrophobicContact CB-CB 4.49Å; F250-F255 HydrophobicContact CB-CD2 3.65Å; F250-F255 HydrophobicContact CB-CE2 4.23Å; F250-F255 HydrophobicContact CB-CG 4.27Å; F250-F255 HydrophobicContact CD1-CD2 4.22Å; F250-F255 HydrophobicContact CD1-CE2 4Å; F250-F255 HydrophobicContact CG-CD2 4.34Å; K253-F255 PolarHBondContact O-N 2.92Å; F255-I257 HydrophobicContact CD1-CD1 3.86Å; F255-I257 HydrophobicContact CD1-CG1 3.9Å; F255-I257 HydrophobicContact CE1-CD1 3.75Å; F255-I257 HydrophobicContact CE1-CG1 3.68Å; F255-V268 WeakPolarHBondContact O-CA 3.44Å; F255-F269 HydrophobicContact CB-CD1 4.23Å; F255-F269 HydrophobicContact CB-CD2 3.71Å; F255-F269 HydrophobicContact CB-CE1 3.91Å; F255-F269 HydrophobicContact CB-CE2 3.31Å; F255-F269 HydrophobicContact CB-CG 4.15Å; F255-F269 HydrophobicContact CB-CZ 3.42Å; F255-F269 VanDerWaalsContact CB-CZ 3.42Å; F255-F269 HydrophobicContact CD1-CD1 4.35Å; F255-F269 AromaticContact CD1-CE1 3.4Å; F255-F269 HydrophobicContact CD1-CE1 3.4Å; F255-F269 VanDerWaalsContact CD1-CE1 3.4Å; F255-F269 HydrophobicContact CD1-CE2 4.04Å; F255-F269 AromaticContact CD1-CZ 3.19Å; F255-F269 HydrophobicContact CD1-CZ 3.19Å; F255-F269 HydrophobicContact CD2-CE2 4.23Å; F255-F269 HydrophobicContact CD2-CZ 4.01Å; F255-F269 HydrophobicContact CE1-CE1 4.13Å; F255-F269 AromaticContact CE1-CZ 3.86Å; F255-F269 HydrophobicContact CE1-CZ 3.86Å; F255-F269 HydrophobicContact CG-CD2 4.47Å; F255-F269 AromaticContact CG-CE1 3.88Å; F255-F269 HydrophobicContact CG-CE1 3.88Å; F255-F269 AromaticContact CG-CE2 3.64Å; F255-F269 HydrophobicContact CG-CE2 3.64Å; F255-F269 AromaticContact CG-CZ 3.28Å; F255-F269 HydrophobicContact CG-CZ 3.28Å; F255-F269 PolarHBondContact N-O 3.41Å; F255-F269 PolarHBondContact O-N 3.43Å; F255-N277 HydrophobicContact CD2-CB 4.03Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.4Å; F255-N277 HydrophobicContact CE2-CB 4.48Å; F255-I280 HydrophobicContact CD2-CG2 4.38Å; F255-I280 HydrophobicContact CE1-CG2 4.05Å; F255-I280 HydrophobicContact CE2-CB 3.93Å; F255-I280 HydrophobicContact CE2-CG2 3.62Å; F255-I280 HydrophobicContact CZ-CB 4.21Å; F255-I280 HydrophobicContact CZ-CG2 3.42Å; F255-I280 VanDerWaalsContact CZ-CG2 3.42Å; F255-L281 HydrophobicContact CE2-CB 4.3Å; F255-L281 HydrophobicContact CZ-CB 4.5Å; F255-L281 HydrophobicContact CZ-CD1 4.49Å |
| 256 | I | 96.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 115 | -174.7 | -51.1 | -179.5 | 0 | 0 | 0 | 108.8 | S249 K254 K258 D266 V268 | S249-I256 PolarHBondContact N-O 2.64Å; S249-I256 PolarHBondContact O-N 3.07Å; S249-I256 VanDerWaalsContact O-O 3.1Å; S249-I256 PolarHBondContact OG-O 3.25Å; K254-I256 HydrophobicContact CD-CD1 4.07Å; K254-I256 HydrophobicContact CD-CG1 4.23Å; K254-I256 HydrophobicContact CG-CD1 4.46Å; K254-I256 HydrophobicContact CG-CG1 4.11Å; I256-K258 HydrophobicContact CG2-CG 4.5Å; I256-D266 HydrophobicContact CG2-CB 3.99Å; I256-D266 WeakPolarHBondContact CG2-OD2 3.45Å; I256-V268 HydrophobicContact CG1-CG2 4.29Å; I256-V268 HydrophobicContact CG2-CG2 4.22Å |
| 257 | I | 96.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.9 | 174.1 | -69.9 | 149.2 | 0 | 0 | 0 | 107.7 | L225 I245 I248 F255 F267 F269 | L225-I257 HydrophobicContact CD1-CD1 3.4Å; L225-I257 HydrophobicContact CD1-CG1 4.3Å; I245-I257 HydrophobicContact CD1-CG2 4.47Å; I245-I257 HydrophobicContact CG1-CG2 4.04Å; I245-I257 HydrophobicContact CG2-CG2 3.88Å; I248-I257 HydrophobicContact CG1-CG1 4.42Å; I248-I257 HydrophobicContact CG2-CG1 4.08Å; F255-I257 HydrophobicContact CD1-CD1 3.86Å; F255-I257 HydrophobicContact CD1-CG1 3.9Å; F255-I257 HydrophobicContact CE1-CD1 3.75Å; F255-I257 HydrophobicContact CE1-CG1 3.68Å; I257-F267 HydrophobicContact CB-CB 4.19Å; I257-F267 HydrophobicContact CB-CD1 3.94Å; I257-F267 HydrophobicContact CD1-CD1 3.48Å; I257-F267 VanDerWaalsContact CD1-CD1 3.48Å; I257-F267 HydrophobicContact CD1-CE1 3.64Å; I257-F267 HydrophobicContact CG1-CD1 4.34Å; I257-F267 HydrophobicContact CG2-CD1 4.27Å; I257-F267 PolarHBondContact N-O 2.88Å; I257-F267 PolarHBondContact O-N 3.03Å; I257-F269 HydrophobicContact CD1-CE1 3.8Å |
| 258 | K | 94.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 59.3 Ų | 59.3 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.2 | 177.6 | -52.2 | -153.9 | 173.3 | -161.2 | 0 | 108.4 | R246 N247 I256 D266 | R246-K258 WeakPolarHBondContact CB-O 3.38Å; R246-K258 PolarHBondContact N-O 3.25Å; N247-K258 HydrophobicContact CB-CB 4.41Å; N247-K258 PolarHBondContact N-O 3.33Å; N247-K258 PolarHBondContact O-N 2.67Å; I256-K258 HydrophobicContact CG2-CG 4.5Å; K258-D266 WeakPolarHBondContact CE-OD2 3.25Å; K258-D266 WeakPolarHBondContact CG-OD1 3.44Å; K258-D266 IonicContact NZ-OD2 2.69Å |
| 259 | P | 94.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 166 | 175.6 | 29.1 | -34.7 | 0 | 0 | 0 | 111.1 | E244 R246 P265 T572 | E244-P259 CarbonylContact O-C 3.36Å; E244-P259 WeakPolarHBondContact O-CA 3.35Å; R246-P259 WeakPolarHBondContact CB-O 3.32Å; R246-P259 PolarHBondContact NE-O 3.29Å; R246-P259 PolarHBondContact NH2-O 2.78Å; P259-P265 WeakPolarHBondContact CD-O 3.23Å; P259-P265 WeakPolarHBondContact CG-O 3.13Å; P259-T572 HydrophobicContact CB-CG2 3.71Å; P259-T572 HydrophobicContact CG-CG2 4.46Å |
| 260 | I | 90.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -69.8 | -39.7 | 172.7 | -62.6 | -165.2 | 0 | 0 | 0 | 110.9 | S243 E244 R246 K262 I501 | S243-I260 WeakPolarHBondContact O-CD1 3.35Å; E244-I260 PolarHBondContact O-N 3.15Å; R246-I260 HydrophobicContact CB-CG1 3.96Å; R246-I260 PolarHBondContact NH1-O 3.36Å; R246-I260 PolarHBondContact NH2-O 3.06Å; R246-I260 VanDerWaalsContact NH2-O 3.15Å; I260-K262 PolarHBondContact O-N 2.94Å; I260-I501 HydrophobicContact CD1-CD1 4.33Å; I260-I501 HydrophobicContact CD1-CG2 4.33Å; I260-I501 HydrophobicContact CG1-CD1 4.45Å |
| 261 | D | 90.7 | Very high | 94.3 | Very high | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | trans | -58.2 | 132.3 | 170.7 | 175.6 | 29.1 | 0 | 0 | 0 | 110.4 | R246 K263 S264 | R246-D261 PolarHBondContact NH2-O 2.69Å; R246-D261 VanDerWaalsContact NH2-O 3.13Å; D261-K263 WeakPolarHBondContact OD1-CB 3.02Å; D261-K263 PolarHBondContact OD1-N 3.19Å; D261-S264 VanDerWaalsContact OD2-CB 3.29Å; D261-S264 WeakPolarHBondContact OD2-CB 2.76Å; D261-S264 PolarHBondContact OD2-N 3.44Å; D261-S264 PolarHBondContact OD2-OG 3.43Å | ||
| 262 | K | 88.9 | Confident | 94.3 | Very high | 183 Ų | 183 | 56.5 Ų | 56.5 | 80% | 0.796 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -88.4 | -8.3 | 178.2 | -66.7 | 177.8 | -178.8 | 174.1 | 0 | 112.6 | I260 | I260-K262 PolarHBondContact O-N 2.94Š|
| 263 | K | 90.3 | Very high | 94.2 | Very high | 195 Ų | 195 | 58.4 Ų | 58.4 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -92.9 | -27.9 | 177.1 | -58 | 173.6 | -177.6 | 173.4 | 0 | 112.3 | D261 | D261-K263 WeakPolarHBondContact OD1-CB 3.02Å; D261-K263 PolarHBondContact OD1-N 3.19Å |
| 264 | S | 92.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -71.3 | 144.3 | 173.6 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | D261 K573 | D261-S264 VanDerWaalsContact OD2-CB 3.29Å; D261-S264 WeakPolarHBondContact OD2-CB 2.76Å; D261-S264 PolarHBondContact OD2-N 3.44Å; D261-S264 PolarHBondContact OD2-OG 3.43Å; S264-K573 PolarHBondContact OG-N 2.71Å; S264-K573 VanDerWaalsContact OG-N 3.15Å |
| 265 | P | 94.9 | Very high | 93.4 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 163.3 | 178.4 | 29.7 | -35.4 | 0 | 0 | 0 | 112.3 | P259 F267 K573 I576 | P259-P265 WeakPolarHBondContact CD-O 3.23Å; P259-P265 WeakPolarHBondContact CG-O 3.13Å; P265-F267 PolarHBondContact O-N 2.99Å; P265-K573 HydrophobicContact CG-CG 4.35Å; P265-I576 HydrophobicContact CG-CB 4.21Å; P265-I576 HydrophobicContact CG-CD1 4.15Å; P265-I576 HydrophobicContact CG-CG2 3.89Å; P265-I576 VanDerWaalsContact O-CD1 3.22Å; P265-I576 WeakPolarHBondContact O-CD1 3.32Å |
| 266 | D | 96.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 127.7 | 167.5 | -79.2 | -0.9 | 0 | 0 | 0 | 109.6 | I256 K258 V268 | I256-D266 HydrophobicContact CG2-CB 3.99Å; I256-D266 WeakPolarHBondContact CG2-OD2 3.45Å; K258-D266 WeakPolarHBondContact CE-OD2 3.25Å; K258-D266 WeakPolarHBondContact CG-OD1 3.44Å; K258-D266 IonicContact NZ-OD2 2.69Å; D266-V268 HydrophobicContact CB-CG2 4.11Å |
| 267 | F | 97.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.3 | 170.2 | 173 | -133.2 | 0 | 0 | 0 | 109 | I227 F240 I257 P265 F269 I576 F579 | I227-F267 HydrophobicContact CD1-CE1 4.41Å; I227-F267 HydrophobicContact CD1-CZ 3.71Å; I227-F267 HydrophobicContact CG1-CZ 4.35Å; F240-F267 HydrophobicContact CD2-CD1 4.34Å; F240-F267 HydrophobicContact CD2-CE1 4.25Å; F240-F267 HydrophobicContact CE2-CD1 4.18Å; F240-F267 HydrophobicContact CE2-CD2 4.33Å; F240-F267 HydrophobicContact CE2-CE1 4.1Å; F240-F267 HydrophobicContact CE2-CE2 4.25Å; F240-F267 HydrophobicContact CE2-CG 4.34Å; F240-F267 HydrophobicContact CE2-CZ 4.16Å; F240-F267 HydrophobicContact CZ-CD2 4.48Å; I257-F267 HydrophobicContact CB-CB 4.19Å; I257-F267 HydrophobicContact CB-CD1 3.94Å; I257-F267 HydrophobicContact CD1-CD1 3.48Å; I257-F267 VanDerWaalsContact CD1-CD1 3.48Å; I257-F267 HydrophobicContact CD1-CE1 3.64Å; I257-F267 HydrophobicContact CG1-CD1 4.34Å; I257-F267 HydrophobicContact CG2-CD1 4.27Å; I257-F267 PolarHBondContact N-O 2.88Å; I257-F267 PolarHBondContact O-N 3.03Å; P265-F267 PolarHBondContact O-N 2.99Å; F267-F269 AromaticContact CE1-CD1 3.99Å; F267-F269 HydrophobicContact CE1-CD1 3.99Å; F267-F269 HydrophobicContact CE1-CE1 4.21Å; F267-F269 AromaticContact CZ-CD1 3.83Å; F267-F269 HydrophobicContact CZ-CD1 3.83Å; F267-F269 HydrophobicContact CZ-CE1 4.44Å; F267-I576 HydrophobicContact CB-CD1 3.81Å; F267-I576 HydrophobicContact CB-CG1 3.95Å; F267-I576 HydrophobicContact CD2-CG1 4.33Å; F267-I576 HydrophobicContact CG-CG1 4.42Å; F267-F579 HydrophobicContact CD2-CD1 4.07Å; F267-F579 HydrophobicContact CD2-CE1 4.31Å; F267-F579 HydrophobicContact CD2-CG 4.37Å; F267-F579 HydrophobicContact CE2-CB 4.43Å; F267-F579 AromaticContact CE2-CD1 3.58Å; F267-F579 HydrophobicContact CE2-CD1 3.58Å; F267-F579 AromaticContact CE2-CD2 3.8Å; F267-F579 HydrophobicContact CE2-CD2 3.8Å; F267-F579 AromaticContact CE2-CE1 3.64Å; F267-F579 HydrophobicContact CE2-CE1 3.64Å; F267-F579 AromaticContact CE2-CE2 3.86Å; F267-F579 HydrophobicContact CE2-CE2 3.86Å; F267-F579 AromaticContact CE2-CG 3.65Å; F267-F579 HydrophobicContact CE2-CG 3.65Å; F267-F579 AromaticContact CE2-CZ 3.78Å; F267-F579 HydrophobicContact CE2-CZ 3.78Å; F267-F579 HydrophobicContact CZ-CD2 4.36Å; F267-F579 HydrophobicContact CZ-CE2 4.21Å; F267-F579 HydrophobicContact CZ-CZ 4.33Å |
| 268 | V | 97.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 125.3 | -166.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | K254 F255 I256 D266 Y270 F579 | K254-V268 HydrophobicContact CD-CG1 4.31Å; K254-V268 HydrophobicContact CG-CG1 3.96Å; F255-V268 WeakPolarHBondContact O-CA 3.44Å; I256-V268 HydrophobicContact CG1-CG2 4.29Å; I256-V268 HydrophobicContact CG2-CG2 4.22Å; D266-V268 HydrophobicContact CB-CG2 4.11Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å; V268-F579 WeakPolarHBondContact O-CE1 3.43Å |
| 269 | F | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 172.5 | 173 | 65.4 | -101.6 | 0 | 0 | 0 | 111.4 | I208 K209 L218 F255 I257 F267 I280 F579 | I208-F269 HydrophobicContact CB-CB 4.43Å; I208-F269 HydrophobicContact CB-CD2 3.82Å; I208-F269 HydrophobicContact CB-CE2 4.45Å; I208-F269 HydrophobicContact CB-CG 4.33Å; I208-F269 HydrophobicContact CD1-CB 3.89Å; I208-F269 HydrophobicContact CD1-CD1 4.35Å; I208-F269 HydrophobicContact CD1-CD2 4.2Å; I208-F269 HydrophobicContact CD1-CG 3.91Å; I208-F269 HydrophobicContact CG2-CD2 3.44Å; I208-F269 VanDerWaalsContact CG2-CD2 3.44Å; I208-F269 HydrophobicContact CG2-CE2 3.58Å; I208-F269 HydrophobicContact CG2-CG 4.28Å; I208-F269 HydrophobicContact CG2-CZ 4.49Å; K209-F269 CarbonylContact O-C 3.53Å; K209-F269 WeakPolarHBondContact O-CA 3.46Å; K209-F269 WeakPolarHBondContact O-CB 3.38Å; L218-F269 HydrophobicContact CD2-CE1 3.88Å; L218-F269 HydrophobicContact CD2-CE2 4.27Å; L218-F269 HydrophobicContact CD2-CZ 3.52Å; F255-F269 HydrophobicContact CB-CD1 4.23Å; F255-F269 HydrophobicContact CB-CD2 3.71Å; F255-F269 HydrophobicContact CB-CE1 3.91Å; F255-F269 HydrophobicContact CB-CE2 3.31Å; F255-F269 HydrophobicContact CB-CG 4.15Å; F255-F269 HydrophobicContact CB-CZ 3.42Å; F255-F269 VanDerWaalsContact CB-CZ 3.42Å; F255-F269 HydrophobicContact CD1-CD1 4.35Å; F255-F269 AromaticContact CD1-CE1 3.4Å; F255-F269 HydrophobicContact CD1-CE1 3.4Å; F255-F269 VanDerWaalsContact CD1-CE1 3.4Å; F255-F269 HydrophobicContact CD1-CE2 4.04Å; F255-F269 AromaticContact CD1-CZ 3.19Å; F255-F269 HydrophobicContact CD1-CZ 3.19Å; F255-F269 HydrophobicContact CD2-CE2 4.23Å; F255-F269 HydrophobicContact CD2-CZ 4.01Å; F255-F269 HydrophobicContact CE1-CE1 4.13Å; F255-F269 AromaticContact CE1-CZ 3.86Å; F255-F269 HydrophobicContact CE1-CZ 3.86Å; F255-F269 HydrophobicContact CG-CD2 4.47Å; F255-F269 AromaticContact CG-CE1 3.88Å; F255-F269 HydrophobicContact CG-CE1 3.88Å; F255-F269 AromaticContact CG-CE2 3.64Å; F255-F269 HydrophobicContact CG-CE2 3.64Å; F255-F269 AromaticContact CG-CZ 3.28Å; F255-F269 HydrophobicContact CG-CZ 3.28Å; F255-F269 PolarHBondContact N-O 3.41Å; F255-F269 PolarHBondContact O-N 3.43Å; I257-F269 HydrophobicContact CD1-CE1 3.8Å; F267-F269 AromaticContact CE1-CD1 3.99Å; F267-F269 HydrophobicContact CE1-CD1 3.99Å; F267-F269 HydrophobicContact CE1-CE1 4.21Å; F267-F269 AromaticContact CZ-CD1 3.83Å; F267-F269 HydrophobicContact CZ-CD1 3.83Å; F267-F269 HydrophobicContact CZ-CE1 4.44Å; F269-I280 HydrophobicContact CE2-CD1 4.03Å; F269-I280 HydrophobicContact CZ-CD1 4.26Å; F269-I280 HydrophobicContact CZ-CG2 4.41Å; F269-F579 HydrophobicContact CB-CE1 4.48Å; F269-F579 HydrophobicContact CB-CZ 3.88Å |
| 270 | Y | 97.7 | Very high | 92.4 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 35% | 0.349 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.3 | -178 | -59.3 | -93.3 | 0 | 0 | 0 | 110.5 | I208 K209 K211 K253 K254 V268 | I208-Y270 CarbonylContact C-O 3.53Å; I208-Y270 WeakPolarHBondContact CA-O 3.49Å; K209-Y270 PolarHBondContact N-O 2.95Å; K209-Y270 PolarHBondContact O-N 3.46Å; K211-Y270 HydrophobicContact CG-CE2 4.27Å; K253-Y270 WeakPolarHBondContact O-CA 3.27Å; K254-Y270 HydrophobicContact CB-CD1 3.99Å; K254-Y270 HydrophobicContact CB-CE1 3.77Å; K254-Y270 HydrophobicContact CD-CE1 4.29Å; K254-Y270 HydrophobicContact CG-CD1 4.28Å; K254-Y270 HydrophobicContact CG-CE1 3.75Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å |
| 271 | A | 95.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | trans | -92.8 | 149 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K253 R273 I276 N277 | K253-A271 WeakPolarHBondContact CB-O 3.5Å; K253-A271 WeakPolarHBondContact CG-O 3.35Å; K253-A271 PolarHBondContact O-N 2.89Å; A271-R273 VanDerWaalsContact C-N 3.28Å; A271-R273 PolarHBondContact O-N 2.81Å; A271-I276 HydrophobicContact CB-CB 4.29Å; A271-I276 HydrophobicContact CB-CG2 4Å; A271-N277 WeakPolarHBondContact CB-OD1 3.18Å | ||
| 272 | P | 90.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -70.4 | -17.1 | -171.2 | 23.8 | -32.1 | 0 | 0 | 0 | 114.9 | D207 I276 | D207-P272 VanDerWaalsContact O-CD 3.24Å; D207-P272 WeakPolarHBondContact O-CD 3.1Å; P272-I276 HydrophobicContact CG-CD1 3.86Å |
| 273 | R | 88.2 | Confident | 92.9 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 47% | 0.468 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -144.7 | 135.9 | -178 | -54.7 | -176.1 | -174.3 | -169.8 | 1.8 | 111.7 | Y55 A271 R275 I276 | Y55-R273 PolarHBondContact OH-NH1 2.95Å; A271-R273 VanDerWaalsContact C-N 3.28Å; A271-R273 PolarHBondContact O-N 2.81Å; R273-R275 HydrophobicContact CB-CG 4.23Å; R273-R275 PolarHBondContact O-N 3.34Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.3Å; R273-I276 HydrophobicContact CG-CD1 4.31Å; R273-I276 WeakPolarHBondContact O-CB 3.13Å; R273-I276 PolarHBondContact O-N 2.95Å |
| 274 | L | 87.6 | Confident | 93.1 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 35% | 0.346 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -45.6 | -37 | 174.7 | 170.7 | 62.7 | 0 | 0 | 0 | 114.8 | F250 I276 N277 K278 | F250-L274 HydrophobicContact CD2-CD1 4.09Å; F250-L274 HydrophobicContact CE2-CD1 3.54Å; F250-L274 HydrophobicContact CZ-CD1 4.45Å; L274-I276 VanDerWaalsContact C-N 3.28Å; L274-I276 PolarHBondContact O-N 2.72Å; L274-N277 PolarHBondContact O-N 2.81Å; L274-K278 PolarHBondContact O-N 2.76Å; L274-K278 VanDerWaalsContact O-N 3.1Å |
| 275 | R | 85.1 | Confident | 93.1 | Very high | 83 Ų | 83 | 40 Ų | 40 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.6 | -31.2 | 177.9 | 77.7 | -178.5 | -170.8 | -172.8 | 6.3 | 113.1 | R273 K278 S279 | R273-R275 HydrophobicContact CB-CG 4.23Å; R273-R275 PolarHBondContact O-N 3.34Å; R275-K278 WeakPolarHBondContact O-CB 3.28Å; R275-K278 PolarHBondContact O-N 3.3Å; R275-S279 PolarHBondContact O-N 3.24Å; R275-S279 PolarHBondContact O-OG 3.13Å |
| 276 | I | 90.3 | Very high | 93 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 16% | 0.164 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.2 | -44.8 | -179.2 | -64.8 | 167.5 | 0 | 0 | 0 | 108.3 | F206 A271 P272 R273 L274 K278 S279 I280 | F206-I276 HydrophobicContact CB-CG2 4.39Å; F206-I276 HydrophobicContact CD1-CG2 3.7Å; F206-I276 HydrophobicContact CE1-CG2 4.44Å; F206-I276 HydrophobicContact CG-CG2 4.35Å; A271-I276 HydrophobicContact CB-CB 4.29Å; A271-I276 HydrophobicContact CB-CG2 4Å; P272-I276 HydrophobicContact CG-CD1 3.86Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.3Å; R273-I276 HydrophobicContact CG-CD1 4.31Å; R273-I276 WeakPolarHBondContact O-CB 3.13Å; R273-I276 PolarHBondContact O-N 2.95Å; L274-I276 VanDerWaalsContact C-N 3.28Å; L274-I276 PolarHBondContact O-N 2.72Å; I276-K278 VanDerWaalsContact C-N 3.25Å; I276-K278 PolarHBondContact O-N 2.85Å; I276-S279 PolarHBondContact O-N 2.71Å; I276-I280 HydrophobicContact CG2-CD1 3.79Å; I276-I280 HydrophobicContact CG2-CG1 4.23Å; I276-I280 VanDerWaalsContact O-CG1 3.31Å; I276-I280 WeakPolarHBondContact O-CG1 3.43Å; I276-I280 PolarHBondContact O-N 3.19Å |
| 277 | N | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.1 | -37.2 | 170.5 | -74.5 | -19.5 | 0 | 0 | 0 | 112.7 | F250 D252 K253 F255 A271 L274 L281 | F250-N277 HydrophobicContact CB-CB 3.98Å; F250-N277 HydrophobicContact CD1-CB 3.79Å; F250-N277 WeakPolarHBondContact CD1-O 3.2Å; F250-N277 HydrophobicContact CD2-CB 3.87Å; F250-N277 HydrophobicContact CE1-CB 4.25Å; F250-N277 WeakPolarHBondContact CE1-O 3.4Å; F250-N277 HydrophobicContact CE2-CB 4.37Å; F250-N277 HydrophobicContact CG-CB 3.6Å; D252-N277 PolarHBondContact O-ND2 2.78Å; K253-N277 WeakPolarHBondContact CA-ND2 3.41Å; K253-N277 PolarHBondContact O-ND2 3.38Å; F255-N277 HydrophobicContact CD2-CB 4.03Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.4Å; F255-N277 HydrophobicContact CE2-CB 4.48Å; A271-N277 WeakPolarHBondContact CB-OD1 3.18Å; L274-N277 PolarHBondContact O-N 2.81Å; N277-L281 VanDerWaalsContact O-CB 3.29Å; N277-L281 WeakPolarHBondContact O-CB 3.13Å; N277-L281 PolarHBondContact O-N 2.65Å |
| 278 | K | 90.7 | Very high | 92.8 | Very high | 105 Ų | 105 | 35.1 Ų | 35.1 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62 | -47.9 | 170.7 | -73.1 | 173.5 | 179.7 | 178.3 | 0 | 112 | F250 L274 R275 I276 L281 H282 | F250-K278 HydrophobicContact CE1-CG 4.12Å; F250-K278 HydrophobicContact CE2-CG 4.27Å; F250-K278 HydrophobicContact CZ-CB 4.44Å; F250-K278 HydrophobicContact CZ-CG 3.48Å; F250-K278 VanDerWaalsContact CZ-CG 3.48Å; L274-K278 PolarHBondContact O-N 2.76Å; L274-K278 VanDerWaalsContact O-N 3.1Å; R275-K278 WeakPolarHBondContact O-CB 3.28Å; R275-K278 PolarHBondContact O-N 3.3Å; I276-K278 VanDerWaalsContact C-N 3.25Å; I276-K278 PolarHBondContact O-N 2.85Å; K278-L281 PolarHBondContact O-N 3.3Å; K278-H282 PolarHBondContact O-N 2.85Å; K278-H282 VanDerWaalsContact O-N 3.16Å; K278-H282 PolarHBondContact O-ND1 3.37Å |
| 279 | S | 90.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.9 | -47 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | R275 I276 L281 H282 L283 | R275-S279 PolarHBondContact O-N 3.24Å; R275-S279 PolarHBondContact O-OG 3.13Å; I276-S279 PolarHBondContact O-N 2.71Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-L281 PolarHBondContact O-N 3.22Å; S279-H282 PolarHBondContact O-N 2.72Å; S279-L283 WeakPolarHBondContact O-CG 3.5Å; S279-L283 PolarHBondContact O-N 2.76Å; S279-L283 VanDerWaalsContact O-N 3.13Å |
| 280 | I | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.2 | -52.1 | 174.7 | -65.7 | 167.9 | 0 | 0 | 0 | 109.2 | F206 L218 V220 F255 F269 I276 H282 L283 C284 | F206-I280 HydrophobicContact CB-CD1 3.95Å; F206-I280 HydrophobicContact CB-CG1 4.2Å; F206-I280 HydrophobicContact CD1-CD1 4.35Å; F206-I280 HydrophobicContact CD1-CG1 3.9Å; F206-I280 HydrophobicContact CD2-CD1 4.24Å; F206-I280 HydrophobicContact CD2-CG1 3.58Å; F206-I280 HydrophobicContact CE1-CG1 4.17Å; F206-I280 HydrophobicContact CE2-CG1 3.87Å; F206-I280 HydrophobicContact CG-CD1 3.9Å; F206-I280 HydrophobicContact CG-CG1 3.59Å; F206-I280 HydrophobicContact CZ-CG1 4.16Å; L218-I280 HydrophobicContact CD2-CD1 4.25Å; L218-I280 HydrophobicContact CD2-CG2 3.89Å; V220-I280 HydrophobicContact CG2-CG2 4.38Å; F255-I280 HydrophobicContact CD2-CG2 4.38Å; F255-I280 HydrophobicContact CE1-CG2 4.05Å; F255-I280 HydrophobicContact CE2-CB 3.93Å; F255-I280 HydrophobicContact CE2-CG2 3.62Å; F255-I280 HydrophobicContact CZ-CB 4.21Å; F255-I280 HydrophobicContact CZ-CG2 3.42Å; F255-I280 VanDerWaalsContact CZ-CG2 3.42Å; F269-I280 HydrophobicContact CE2-CD1 4.03Å; F269-I280 HydrophobicContact CZ-CD1 4.26Å; F269-I280 HydrophobicContact CZ-CG2 4.41Å; I276-I280 HydrophobicContact CG2-CD1 3.79Å; I276-I280 HydrophobicContact CG2-CG1 4.23Å; I276-I280 VanDerWaalsContact O-CG1 3.31Å; I276-I280 WeakPolarHBondContact O-CG1 3.43Å; I276-I280 PolarHBondContact O-N 3.19Å; I280-H282 VanDerWaalsContact C-N 3.34Å; I280-H282 PolarHBondContact O-N 2.89Å; I280-L283 PolarHBondContact O-N 3.4Å; I280-C284 VanDerWaalsContact CG2-SG 3.57Å; I280-C284 PolarHBondContact O-N 2.7Å; I280-C284 PolarHBondContact O-SG 3.33Å |
| 281 | L | 93.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -43.9 | -178.6 | -174.9 | 66.2 | 0 | 0 | 0 | 112.8 | I248 F250 F255 N277 K278 S279 L283 C284 M285 | I248-L281 HydrophobicContact CB-CD1 4.03Å; I248-L281 HydrophobicContact CG2-CD1 3.64Å; I248-L281 WeakPolarHBondContact O-CD1 3.16Å; F250-L281 HydrophobicContact CD1-CB 4.07Å; F250-L281 HydrophobicContact CD1-CD2 3.96Å; F250-L281 HydrophobicContact CE1-CB 3.85Å; F250-L281 HydrophobicContact CE1-CD2 3.49Å; F250-L281 VanDerWaalsContact CE1-CD2 3.49Å; F250-L281 HydrophobicContact CE1-CG 4.27Å; F250-L281 HydrophobicContact CZ-CD2 4.48Å; F255-L281 HydrophobicContact CE2-CB 4.3Å; F255-L281 HydrophobicContact CZ-CB 4.5Å; F255-L281 HydrophobicContact CZ-CD1 4.49Å; N277-L281 VanDerWaalsContact O-CB 3.29Å; N277-L281 WeakPolarHBondContact O-CB 3.13Å; N277-L281 PolarHBondContact O-N 2.65Å; K278-L281 PolarHBondContact O-N 3.3Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-L281 PolarHBondContact O-N 3.22Å; L281-L283 PolarHBondContact O-N 2.92Å; L281-C284 PolarHBondContact O-N 2.6Å; L281-M285 HydrophobicContact CD1-CE 3.64Å; L281-M285 HydrophobicContact CD1-CG 4.13Å; L281-M285 HydrophobicContact CD1-SD 3.75Å; L281-M285 HydrophobicContact CD2-CE 4.15Å; L281-M285 HydrophobicContact CD2-SD 4.19Å; L281-M285 HydrophobicContact CG-CE 3.95Å; L281-M285 HydrophobicContact CG-CG 4.4Å; L281-M285 HydrophobicContact CG-SD 3.59Å; L281-M285 VanDerWaalsContact CG-SD 3.59Å; L281-M285 WeakPolarHBondContact O-CB 3.24Å; L281-M285 VanDerWaalsContact O-CG 3.26Å; L281-M285 WeakPolarHBondContact O-CG 3.22Å; L281-M285 PolarHBondContact O-N 3.44Å |
| 282 | H | 91.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 34 Ų | 34 | 22% | 0.218 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.4 | -13.2 | 179.4 | -68.3 | 61.7 | 0 | 0 | 0 | 113.8 | K60 K83 K278 S279 I280 | K60-H282 PolarHBondContact NZ-NE2 2.86Å; K83-H282 PolarHBondContact NZ-O 3.46Å; K278-H282 PolarHBondContact O-N 2.85Å; K278-H282 VanDerWaalsContact O-N 3.16Å; K278-H282 PolarHBondContact O-ND1 3.37Å; S279-H282 PolarHBondContact O-N 2.72Å; I280-H282 VanDerWaalsContact C-N 3.34Å; I280-H282 PolarHBondContact O-N 2.89Å |
| 283 | L | 94.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -92.1 | -44.3 | 171.7 | -72.9 | 166.9 | 0 | 0 | 0 | 110.9 | K83 F84 N204 F206 V220 S279 I280 L281 M285 N287 | K83-L283 HydrophobicContact CG-CD2 4.05Å; F84-L283 HydrophobicContact CE1-CD2 4.21Å; N204-L283 HydrophobicContact CB-CD1 3.9Å; F206-L283 HydrophobicContact CE2-CD1 3.84Å; F206-L283 HydrophobicContact CZ-CD1 3.55Å; V220-L283 HydrophobicContact CG1-CB 4.06Å; S279-L283 WeakPolarHBondContact O-CG 3.5Å; S279-L283 PolarHBondContact O-N 2.76Å; S279-L283 VanDerWaalsContact O-N 3.13Å; I280-L283 PolarHBondContact O-N 3.4Å; L281-L283 PolarHBondContact O-N 2.92Å; L283-M285 PolarHBondContact O-N 3.09Å; L283-N287 WeakPolarHBondContact O-CB 3.36Å; L283-N287 PolarHBondContact O-N 2.86Å; L283-N287 PolarHBondContact O-ND2 2.92Å |
| 284 | C | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | W242 I248 I280 L281 H288 | W242-C284 HydrophobicContact CH2-CB 3.59Å; W242-C284 HydrophobicContact CZ3-CB 3.98Å; I248-C284 HydrophobicContact CD1-CB 3.5Å; I248-C284 HydrophobicContact CG2-CB 4.4Å; I280-C284 VanDerWaalsContact CG2-SG 3.57Å; I280-C284 PolarHBondContact O-N 2.7Å; I280-C284 PolarHBondContact O-SG 3.33Å; L281-C284 PolarHBondContact O-N 2.6Å; C284-H288 VanDerWaalsContact O-CB 3.32Å; C284-H288 WeakPolarHBondContact O-CB 3.41Å; C284-H288 PolarHBondContact O-N 3.31Å |
| 285 | M | 92.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.113 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -51 | 178.5 | -72.9 | 169.1 | 152.3 | 0 | 0 | 111.7 | L281 L283 H288 D289 S496 T497 L499 | L281-M285 HydrophobicContact CD1-CE 3.64Å; L281-M285 HydrophobicContact CD1-CG 4.13Å; L281-M285 HydrophobicContact CD1-SD 3.75Å; L281-M285 HydrophobicContact CD2-CE 4.15Å; L281-M285 HydrophobicContact CD2-SD 4.19Å; L281-M285 HydrophobicContact CG-CE 3.95Å; L281-M285 HydrophobicContact CG-CG 4.4Å; L281-M285 HydrophobicContact CG-SD 3.59Å; L281-M285 VanDerWaalsContact CG-SD 3.59Å; L281-M285 WeakPolarHBondContact O-CB 3.24Å; L281-M285 VanDerWaalsContact O-CG 3.26Å; L281-M285 WeakPolarHBondContact O-CG 3.22Å; L281-M285 PolarHBondContact O-N 3.44Å; L283-M285 PolarHBondContact O-N 3.09Å; M285-H288 PolarHBondContact O-N 3.26Å; M285-D289 WeakPolarHBondContact O-CB 3.45Å; M285-D289 PolarHBondContact O-N 2.88Å; M285-S496 PolarHBondContact SD-OG 2.91Å; M285-T497 WeakPolarHBondContact CE-O 3.35Å; M285-T497 VanDerWaalsContact CG-O 3.3Å; M285-T497 WeakPolarHBondContact CG-O 3.49Å; M285-T497 PolarHBondContact SD-N 2.82Å; M285-L499 HydrophobicContact CG-CD2 4.47Å |
| 286 | G | 93 | Very high | 92 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.1 | -32.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L290 | G286-L290 VanDerWaalsContact O-CG 3.22Å; G286-L290 WeakPolarHBondContact O-CG 3.06Å; G286-L290 PolarHBondContact O-N 3.27Å; G286-L290 VanDerWaalsContact O-N 3.16Å |
| 287 | N | 95.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 171.4 | -77.9 | -65.6 | 0 | 0 | 0 | 111.5 | D221 W242 L283 L290 Y291 | D221-N287 WeakPolarHBondContact O-CB 3.26Å; W242-N287 HydrophobicContact CZ2-CB 3.7Å; L283-N287 WeakPolarHBondContact O-CB 3.36Å; L283-N287 PolarHBondContact O-N 2.86Å; L283-N287 PolarHBondContact O-ND2 2.92Å; N287-L290 WeakPolarHBondContact O-CB 3.47Å; N287-L290 PolarHBondContact O-N 3.19Å; N287-Y291 WeakPolarHBondContact O-CB 3.42Å; N287-Y291 PolarHBondContact O-N 3.43Å |
| 288 | H | 93.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.8 | -40.2 | 175.9 | -172.9 | 103.2 | 0 | 0 | 0 | 112.4 | W242 C284 M285 L290 Y291 M292 L499 | W242-H288 HydrophobicContact CD2-CB 4.03Å; W242-H288 HydrophobicContact CE3-CB 3.87Å; W242-H288 AromaticContact CE3-ND1 3.79Å; W242-H288 HydrophobicContact CG-CB 4.42Å; W242-H288 HydrophobicContact CZ3-CB 4.43Å; W242-H288 PolarHBondContact O-CE1 2.9Å; W242-H288 VanDerWaalsContact O-CE1 3.25Å; W242-H288 PolarHBondContact O-ND1 3.44Å; C284-H288 VanDerWaalsContact O-CB 3.32Å; C284-H288 WeakPolarHBondContact O-CB 3.41Å; C284-H288 PolarHBondContact O-N 3.31Å; M285-H288 PolarHBondContact O-N 3.26Å; H288-L290 PolarHBondContact O-N 2.99Å; H288-Y291 WeakPolarHBondContact O-CB 3.39Å; H288-Y291 PolarHBondContact O-N 2.66Å; H288-Y291 VanDerWaalsContact O-N 3.14Å; H288-M292 VanDerWaalsContact CD2-CG 3.44Å; H288-M292 WeakPolarHBondContact CD2-CG 3.32Å; H288-M292 WeakPolarHBondContact NE2-CG 3.1Å; H288-M292 WeakPolarHBondContact O-CG 3.29Å; H288-M292 PolarHBondContact O-N 3.13Å; H288-L499 HydrophobicContact CB-CD1 4.18Å; H288-L499 HydrophobicContact CB-CD2 3.89Å |
| 289 | D | 92.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 35.7 Ų | 35.7 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55 | -41 | 173.7 | -70 | -23.3 | 0 | 0 | 0 | 111 | M285 R293 T497 | M285-D289 WeakPolarHBondContact O-CB 3.45Å; M285-D289 PolarHBondContact O-N 2.88Å; D289-R293 WeakPolarHBondContact O-CB 3.08Å; D289-R293 PolarHBondContact O-N 3.27Å; D289-T497 VanDerWaalsContact OD1-CB 3.24Å; D289-T497 WeakPolarHBondContact OD1-CB 3.36Å; D289-T497 PolarHBondContact OD1-OG1 3.27Å; D289-T497 WeakPolarHBondContact OD2-CB 3.2Å; D289-T497 PolarHBondContact OD2-OG1 2.83Å |
| 290 | L | 92.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.2 | -48.1 | 173.3 | -70.5 | 173.1 | 0 | 0 | 0 | 112.9 | W43 Y44 F84 G286 N287 H288 M292 R293 R294 | W43-L290 HydrophobicContact CB-CD2 3.59Å; W43-L290 HydrophobicContact CG-CD2 3.53Å; Y44-L290 HydrophobicContact CD1-CD1 4.43Å; F84-L290 HydrophobicContact CB-CD1 3.52Å; F84-L290 HydrophobicContact CD1-CD1 4.4Å; F84-L290 HydrophobicContact CG-CD1 3.95Å; G286-L290 VanDerWaalsContact O-CG 3.22Å; G286-L290 WeakPolarHBondContact O-CG 3.06Å; G286-L290 PolarHBondContact O-N 3.27Å; G286-L290 VanDerWaalsContact O-N 3.16Å; N287-L290 WeakPolarHBondContact O-CB 3.47Å; N287-L290 PolarHBondContact O-N 3.19Å; H288-L290 PolarHBondContact O-N 2.99Å; L290-M292 PolarHBondContact O-N 3.4Å; L290-R293 WeakPolarHBondContact O-CB 3.45Å; L290-R293 PolarHBondContact O-N 3.29Å; L290-R294 WeakPolarHBondContact O-CD 3.19Å; L290-R294 WeakPolarHBondContact O-CG 3.32Å; L290-R294 PolarHBondContact O-N 2.88Å |
| 291 | Y | 93.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55 | -40.6 | 177.6 | -179.7 | -89.1 | 0 | 0 | 0 | 111.8 | E87 W242 S243 N287 H288 R295 E510 | E87-Y291 WeakPolarHBondContact OE1-CD2 3.48Å; W242-Y291 HydrophobicContact CB-CD1 3.4Å; W242-Y291 HydrophobicContact CB-CD2 3.67Å; W242-Y291 HydrophobicContact CB-CE1 3.65Å; W242-Y291 HydrophobicContact CB-CE2 3.89Å; W242-Y291 HydrophobicContact CB-CG 3.42Å; W242-Y291 VanDerWaalsContact CB-CG 3.42Å; W242-Y291 AromaticContact CD1-CD2 3.62Å; W242-Y291 AromaticContact CD1-CG 3.8Å; W242-Y291 HydrophobicContact CG-CD1 4.37Å; W242-Y291 HydrophobicContact CG-CD2 4.05Å; W242-Y291 AromaticContact CG-CG 3.94Å; W242-Y291 HydrophobicContact CG-CG 3.94Å; S243-Y291 VanDerWaalsContact CB-OH 3.26Å; S243-Y291 WeakPolarHBondContact CB-OH 3.33Å; S243-Y291 PolarHBondContact OG-OH 3.17Å; N287-Y291 WeakPolarHBondContact O-CB 3.42Å; N287-Y291 PolarHBondContact O-N 3.43Å; H288-Y291 WeakPolarHBondContact O-CB 3.39Å; H288-Y291 PolarHBondContact O-N 2.66Å; H288-Y291 VanDerWaalsContact O-N 3.14Å; Y291-R295 VanDerWaalsContact CD2-CZ 3.47Å; Y291-R295 VanDerWaalsContact CZ-NE 3.28Å; Y291-R295 WeakPolarHBondContact O-CD 3.43Å; Y291-R295 PolarHBondContact O-NH1 2.66Å; Y291-R295 PolarHBondContact OH-NE 2.85Å; Y291-E510 WeakPolarHBondContact CE2-OE1 3.15Å; Y291-E510 PolarHBondContact OH-OE1 2.74Å |
| 292 | M | 89.5 | Confident | 91.6 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.108 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -76 | -31.9 | 175.1 | -61.4 | -48.2 | -59.2 | 0 | 0 | 113.1 | H288 L290 R295 K296 F504 | H288-M292 VanDerWaalsContact CD2-CG 3.44Å; H288-M292 WeakPolarHBondContact CD2-CG 3.32Å; H288-M292 WeakPolarHBondContact NE2-CG 3.1Å; H288-M292 WeakPolarHBondContact O-CG 3.29Å; H288-M292 PolarHBondContact O-N 3.13Å; L290-M292 PolarHBondContact O-N 3.4Å; M292-R295 PolarHBondContact O-N 3.33Å; M292-K296 PolarHBondContact O-N 3.16Å; M292-F504 HydrophobicContact CE-CD2 3.64Å; M292-F504 HydrophobicContact CE-CE1 4.4Å; M292-F504 HydrophobicContact CE-CE2 3.12Å; M292-F504 HydrophobicContact CE-CG 4.46Å; M292-F504 HydrophobicContact CE-CZ 3.56Å |
| 293 | R | 89.4 | Confident | 91.7 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 172.4 | -175.2 | 176.8 | -179.1 | 141.9 | 2.3 | 111.1 | E41 W43 D289 L290 R295 K296 V302 | E41-R293 IonicContact OE1-NH1 3.64Å; E41-R293 IonicContact OE2-CZ 2.85Å; E41-R293 VanDerWaalsContact OE2-CZ 3.24Å; E41-R293 IonicContact OE2-NH1 3.65Å; E41-R293 PolarHBondContact OE2-NH1 3.21Å; E41-R293 IonicContact OE2-NH2 2.78Å; E41-R293 PolarHBondContact OE2-NH2 3.16Å; W43-R293 VanDerWaalsContact CE3-CZ 3.46Å; W43-R293 VanDerWaalsContact CZ3-CZ 3.48Å; D289-R293 WeakPolarHBondContact O-CB 3.08Å; D289-R293 PolarHBondContact O-N 3.27Å; L290-R293 WeakPolarHBondContact O-CB 3.45Å; L290-R293 PolarHBondContact O-N 3.29Å; R293-R295 PolarHBondContact O-N 2.83Å; R293-K296 PolarHBondContact O-N 3.42Å; R293-K296 VanDerWaalsContact O-N 3.09Å; R293-V302 VanDerWaalsContact NH2-CG2 3.3Å |
| 294 | R | 89.3 | Confident | 91.7 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.3 | 178.4 | -66.3 | 157.6 | -177.4 | 143.3 | 0.4 | 114.4 | F85 E87 E92 L290 | F85-R294 PolarHBondContact O-NH2 3.23Å; E87-R294 WeakPolarHBondContact OE1-CD 3.5Å; E87-R294 IonicContact OE1-CZ 2.68Å; E87-R294 IonicContact OE1-NE 3.45Å; E87-R294 PolarHBondContact OE1-NE 3.3Å; E87-R294 IonicContact OE1-NH1 2.91Å; E87-R294 PolarHBondContact OE1-NH1 3.07Å; E92-R294 IonicContact OE1-CZ 3.13Å; E92-R294 IonicContact OE1-NE 2.84Å; E92-R294 PolarHBondContact OE1-NE 2.98Å; E92-R294 VanDerWaalsContact OE1-NE 3.17Å; E92-R294 IonicContact OE1-NH2 3.15Å; E92-R294 IonicContact OE2-CZ 2.62Å; E92-R294 IonicContact OE2-NE 2.65Å; E92-R294 PolarHBondContact OE2-NE 2.7Å; E92-R294 IonicContact OE2-NH2 2.77Å; E92-R294 PolarHBondContact OE2-NH2 2.97Å; L290-R294 WeakPolarHBondContact O-CD 3.19Å; L290-R294 WeakPolarHBondContact O-CG 3.32Å; L290-R294 PolarHBondContact O-N 2.88Å |
| 295 | R | 88.3 | Confident | 91.6 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 6.3 | -179.9 | -70.1 | 163 | -176.8 | 72 | 5.7 | 112.4 | E87 Y291 M292 R293 E510 | E87-R295 IonicContact OE1-CZ 2.7Å; E87-R295 IonicContact OE1-NH1 2.64Å; E87-R295 PolarHBondContact OE1-NH1 2.77Å; E87-R295 IonicContact OE1-NH2 2.7Å; E87-R295 IonicContact OE2-CZ 3.13Å; E87-R295 IonicContact OE2-NH1 2.71Å; E87-R295 PolarHBondContact OE2-NH1 2.8Å; E87-R295 IonicContact OE2-NH2 3.42Å; E87-R295 PolarHBondContact OE2-NH2 3.38Å; Y291-R295 VanDerWaalsContact CD2-CZ 3.47Å; Y291-R295 VanDerWaalsContact CZ-NE 3.28Å; Y291-R295 WeakPolarHBondContact O-CD 3.43Å; Y291-R295 PolarHBondContact O-NH1 2.66Å; Y291-R295 PolarHBondContact OH-NE 2.85Å; M292-R295 PolarHBondContact O-N 3.33Å; R293-R295 PolarHBondContact O-N 2.83Å; R295-E510 IonicContact CZ-OE2 2.75Å; R295-E510 IonicContact NE-OE2 2.66Å; R295-E510 VanDerWaalsContact NH2-CD 3.29Å; R295-E510 IonicContact NH2-OE1 2.81Å; R295-E510 IonicContact NH2-OE2 3.69Å; R295-E510 PolarHBondContact NH2-OE2 3.01Å |
| 296 | K | 88.1 | Confident | 91.7 | Very high | 86 Ų | 86 | 52 Ų | 52 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -108.4 | 156.4 | 163.9 | -69.3 | -179 | 178.1 | -171.8 | 0 | 109.3 | M292 R293 D502 F504 | M292-K296 PolarHBondContact O-N 3.16Å; R293-K296 PolarHBondContact O-N 3.42Å; R293-K296 VanDerWaalsContact O-N 3.09Å; K296-D502 IonicContact NZ-OD2 2.74Å; K296-D502 PolarHBondContact NZ-OD2 2.94Å; K296-F504 HydrophobicContact CD-CE1 4.32Å; K296-F504 VanDerWaalsContact CE-CE1 3.42Å; K296-F504 HydrophobicContact CG-CE1 3.84Å; K296-F504 HydrophobicContact CG-CZ 4.47Å |
| 297 | P | 87.4 | Confident | 91.7 | Very high | 122 Ų | 122 | 54.3 Ų | 54.3 | 79% | 0.792 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 145.4 | 171.8 | -22.8 | 34 | 0 | 0 | 0 | 112 | T299 | P297-T299 PolarHBondContact O-N 2.68Š|
| 298 | D | 89.3 | Confident | 91.5 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 136.6 | 177.8 | -85.7 | -26.2 | 0 | 0 | 0 | 111.5 | V302 Q303 K306 | D298-V302 HydrophobicContact CB-CB 4.24Å; D298-V302 HydrophobicContact CB-CG1 4.07Å; D298-Q303 HydrophobicContact CB-CG 3.85Å; D298-Q303 PolarHBondContact O-NE2 3.2Å; D298-K306 IonicContact OD2-NZ 2.67Å; D298-K306 PolarHBondContact OD2-NZ 3.15Å |
| 299 | T | 91.9 | Very high | 91.4 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 156.1 | 176 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | P297 E301 V302 Q303 | P297-T299 PolarHBondContact O-N 2.68Å; T299-E301 PolarHBondContact O-N 2.94Å; T299-E301 VanDerWaalsContact O-N 3.13Å; T299-V302 PolarHBondContact O-N 2.81Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.42Å; T299-Q303 WeakPolarHBondContact O-CG 3.4Å; T299-Q303 PolarHBondContact O-N 3.3Å |
| 300 | I | 92.7 | Very high | 91.3 | Very high | 122 Ų | 122 | 60.9 Ų | 60.9 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.5 | -37.6 | -179.9 | -61.1 | 174 | 0 | 0 | 0 | 111.7 | Q303 Q304 | I300-Q303 PolarHBondContact O-N 2.95Å; I300-Q304 HydrophobicContact CG2-CG 4.41Å; I300-Q304 WeakPolarHBondContact O-CB 3.4Å; I300-Q304 VanDerWaalsContact O-CG 3.3Å; I300-Q304 WeakPolarHBondContact O-CG 3.5Å; I300-Q304 PolarHBondContact O-N 3.15Å |
| 301 | E | 91.6 | Very high | 91.3 | Very high | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -50.6 | 174.8 | 178.9 | 158.7 | -153 | 0 | 0 | 111.6 | T299 Q303 Q304 M305 | T299-E301 PolarHBondContact O-N 2.94Å; T299-E301 VanDerWaalsContact O-N 3.13Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-Q303 PolarHBondContact O-N 3.5Å; E301-Q304 WeakPolarHBondContact O-CB 3.47Å; E301-Q304 PolarHBondContact O-N 2.86Å; E301-M305 HydrophobicContact CG-CE 3.54Å; E301-M305 HydrophobicContact CG-CG 4.48Å; E301-M305 HydrophobicContact CG-SD 3.68Å; E301-M305 WeakPolarHBondContact O-CG 3.15Å; E301-M305 PolarHBondContact O-N 3.44Å |
| 302 | V | 93.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.5 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | W43 R293 D298 T299 M305 K306 | W43-V302 HydrophobicContact CH2-CG2 3.54Å; W43-V302 HydrophobicContact CZ2-CG2 4.47Å; W43-V302 HydrophobicContact CZ3-CG2 4.03Å; R293-V302 VanDerWaalsContact NH2-CG2 3.3Å; D298-V302 HydrophobicContact CB-CB 4.24Å; D298-V302 HydrophobicContact CB-CG1 4.07Å; T299-V302 PolarHBondContact O-N 2.81Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.42Å; V302-M305 PolarHBondContact O-N 2.87Å; V302-K306 HydrophobicContact CG1-CD 4.24Å; V302-K306 HydrophobicContact CG1-CG 4.34Å; V302-K306 WeakPolarHBondContact O-CG 3.29Å; V302-K306 PolarHBondContact O-N 3.06Å |
| 303 | Q | 92.7 | Very high | 91 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.3 | -66.2 | -178.8 | 18.7 | 0 | 0 | 111.7 | D298 T299 I300 E301 A307 | D298-Q303 HydrophobicContact CB-CG 3.85Å; D298-Q303 PolarHBondContact O-NE2 3.2Å; T299-Q303 WeakPolarHBondContact O-CG 3.4Å; T299-Q303 PolarHBondContact O-N 3.3Å; I300-Q303 PolarHBondContact O-N 2.95Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-Q303 PolarHBondContact O-N 3.5Å; Q303-A307 VanDerWaalsContact O-CB 3.24Å; Q303-A307 WeakPolarHBondContact O-CB 3.23Å; Q303-A307 PolarHBondContact O-N 3.06Å |
| 304 | Q | 94.1 | Very high | 91 | Very high | 113 Ų | 113 | 74.3 Ų | 74.3 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 174.1 | -75.7 | 175.3 | -7.8 | 0 | 0 | 111.6 | I300 E301 A307 Q308 | I300-Q304 HydrophobicContact CG2-CG 4.41Å; I300-Q304 WeakPolarHBondContact O-CB 3.4Å; I300-Q304 VanDerWaalsContact O-CG 3.3Å; I300-Q304 WeakPolarHBondContact O-CG 3.5Å; I300-Q304 PolarHBondContact O-N 3.15Å; E301-Q304 WeakPolarHBondContact O-CB 3.47Å; E301-Q304 PolarHBondContact O-N 2.86Å; Q304-A307 PolarHBondContact O-N 3.36Å; Q304-Q308 WeakPolarHBondContact O-CB 3.27Å; Q304-Q308 VanDerWaalsContact O-CG 3.24Å; Q304-Q308 WeakPolarHBondContact O-CG 3.48Å; Q304-Q308 PolarHBondContact O-N 3.39Å |
| 305 | M | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.4 | -53.4 | 178.2 | -66.7 | 160.3 | 152 | 0 | 0 | 111.4 | R40 E41 E301 V302 A307 Q308 A309 D490 N491 | R40-M305 HydrophobicContact CB-CE 3.69Å; R40-M305 VanDerWaalsContact CZ-CE 3.48Å; E41-M305 HydrophobicContact CB-CE 3.91Å; E301-M305 HydrophobicContact CG-CE 3.54Å; E301-M305 HydrophobicContact CG-CG 4.48Å; E301-M305 HydrophobicContact CG-SD 3.68Å; E301-M305 WeakPolarHBondContact O-CG 3.15Å; E301-M305 PolarHBondContact O-N 3.44Å; V302-M305 PolarHBondContact O-N 2.87Å; M305-A307 PolarHBondContact O-N 2.92Å; M305-Q308 PolarHBondContact O-N 3.4Å; M305-A309 WeakPolarHBondContact O-CB 3.36Å; M305-A309 PolarHBondContact O-N 3.35Å; M305-D490 WeakPolarHBondContact CE-OD2 3.45Å; M305-D490 VanDerWaalsContact CG-OD1 3.3Å; M305-D490 WeakPolarHBondContact CG-OD1 3.47Å; M305-D490 WeakPolarHBondContact CG-OD2 3.48Å; M305-N491 WeakPolarHBondContact CE-OD1 3.49Å; M305-N491 PolarHBondContact SD-ND2 2.79Å; M305-N491 PolarHBondContact SD-OD1 2.84Å; M305-N491 VanDerWaalsContact SD-OD1 3.4Å |
| 306 | K | 93.7 | Very high | 91 | Very high | 51 Ų | 51 | 77.1 Ų | 77.1 | 22% | 0.222 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.9 | -35.6 | 174.2 | -66.9 | -174.5 | 169.1 | 175 | 0 | 111.9 | D298 V302 M310 E489 | D298-K306 IonicContact OD2-NZ 2.67Å; D298-K306 PolarHBondContact OD2-NZ 3.15Å; V302-K306 HydrophobicContact CG1-CD 4.24Å; V302-K306 HydrophobicContact CG1-CG 4.34Å; V302-K306 WeakPolarHBondContact O-CG 3.29Å; V302-K306 PolarHBondContact O-N 3.06Å; K306-M310 HydrophobicContact CB-CE 4.26Å; K306-M310 WeakPolarHBondContact O-CB 3.47Å; K306-M310 VanDerWaalsContact O-CE 3.25Å; K306-M310 WeakPolarHBondContact O-CE 3.48Å; K306-M310 VanDerWaalsContact O-CG 3.3Å; K306-M310 WeakPolarHBondContact O-CG 3.37Å; K306-M310 PolarHBondContact O-N 3.44Å; K306-E489 WeakPolarHBondContact CG-OE1 3.45Å |
| 307 | A | 93.8 | Very high | 91 | Very high | 53 Ų | 53 | 76.1 Ų | 76.1 | 44% | 0.438 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.2 | -51.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q303 Q304 M305 A309 M310 E311 | Q303-A307 VanDerWaalsContact O-CB 3.24Å; Q303-A307 WeakPolarHBondContact O-CB 3.23Å; Q303-A307 PolarHBondContact O-N 3.06Å; Q304-A307 PolarHBondContact O-N 3.36Å; M305-A307 PolarHBondContact O-N 2.92Å; A307-A309 PolarHBondContact O-N 3.2Å; A307-M310 PolarHBondContact O-N 3.24Å; A307-E311 WeakPolarHBondContact O-CB 3.42Å; A307-E311 PolarHBondContact O-N 3.31Å |
| 308 | Q | 92.8 | Very high | 91.1 | Very high | 92 Ų | 92 | 75 Ų | 75 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -52.5 | -39.5 | 173.1 | -72.7 | -179.2 | -76.2 | 0 | 0 | 110.6 | Q304 M305 E311 E312 | Q304-Q308 WeakPolarHBondContact O-CB 3.27Å; Q304-Q308 VanDerWaalsContact O-CG 3.24Å; Q304-Q308 WeakPolarHBondContact O-CG 3.48Å; Q304-Q308 PolarHBondContact O-N 3.39Å; M305-Q308 PolarHBondContact O-N 3.4Å; Q308-E311 WeakPolarHBondContact O-CB 3.47Å; Q308-E311 PolarHBondContact O-N 3.4Å; Q308-E312 WeakPolarHBondContact O-CG 3.3Å; Q308-E312 PolarHBondContact O-N 3.42Å |
| 309 | A | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -76.7 | -42.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M305 A307 E311 E312 K313 D487 E489 | M305-A309 WeakPolarHBondContact O-CB 3.36Å; M305-A309 PolarHBondContact O-N 3.35Å; A307-A309 PolarHBondContact O-N 3.2Å; A309-E311 PolarHBondContact O-N 3.36Å; A309-E312 CarbonylContact O-C 2.85Å; A309-E312 VanDerWaalsContact O-CA 3.31Å; A309-E312 WeakPolarHBondContact O-CA 3.45Å; A309-E312 WeakPolarHBondContact O-CB 3.38Å; A309-E312 PolarHBondContact O-N 3.45Å; A309-K313 PolarHBondContact O-N 2.85Å; A309-D487 VanDerWaalsContact O-OD1 3.1Å; A309-E489 HydrophobicContact CB-CB 3.78Å; A309-E489 HydrophobicContact CB-CG 3.09Å |
| 310 | M | 90.3 | Very high | 90.7 | Very high | 96 Ų | 96 | 78 Ų | 78 | 47% | 0.473 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -24.7 | 170.9 | -77.7 | -176 | -74.7 | 0 | 0 | 111.4 | K306 A307 K313 Q314 | K306-M310 HydrophobicContact CB-CE 4.26Å; K306-M310 WeakPolarHBondContact O-CB 3.47Å; K306-M310 VanDerWaalsContact O-CE 3.25Å; K306-M310 WeakPolarHBondContact O-CE 3.48Å; K306-M310 VanDerWaalsContact O-CG 3.3Å; K306-M310 WeakPolarHBondContact O-CG 3.37Å; K306-M310 PolarHBondContact O-N 3.44Å; A307-M310 PolarHBondContact O-N 3.24Å; M310-K313 VanDerWaalsContact O-CB 3.31Å; M310-K313 WeakPolarHBondContact O-CB 3.37Å; M310-Q314 WeakPolarHBondContact O-CB 3.3Å; M310-Q314 VanDerWaalsContact O-CG 3.22Å; M310-Q314 WeakPolarHBondContact O-CG 3.13Å; M310-Q314 PolarHBondContact O-N 3.46Å; M310-Q314 PolarHBondContact O-NE2 3.03Å |
| 311 | E | 92 | Very high | 90.5 | Very high | 126 Ų | 126 | 72.3 Ų | 72.3 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -71.1 | -41.2 | 166.2 | -177.5 | 169.2 | -150.6 | 0 | 0 | 111.5 | A307 Q308 A309 K313 Q314 M315 | A307-E311 WeakPolarHBondContact O-CB 3.42Å; A307-E311 PolarHBondContact O-N 3.31Å; Q308-E311 WeakPolarHBondContact O-CB 3.47Å; Q308-E311 PolarHBondContact O-N 3.4Å; A309-E311 PolarHBondContact O-N 3.36Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.37Å; E311-Q314 CarbonylContact O-C 3.43Å; E311-Q314 PolarHBondContact O-N 3.46Å; E311-M315 HydrophobicContact CG-CG 4.25Å; E311-M315 VanDerWaalsContact O-CB 3.31Å; E311-M315 WeakPolarHBondContact O-CB 3.15Å; E311-M315 WeakPolarHBondContact O-CG 3.28Å; E311-M315 PolarHBondContact O-N 2.93Å |
| 312 | E | 89.8 | Confident | 90.4 | Very high | 92 Ų | 92 | 71.7 Ų | 71.7 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 167.7 | -71.1 | 170.6 | 174.4 | 0 | 0 | 112.7 | Q308 A309 K316 D487 | Q308-E312 WeakPolarHBondContact O-CG 3.3Å; Q308-E312 PolarHBondContact O-N 3.42Å; A309-E312 CarbonylContact O-C 2.85Å; A309-E312 VanDerWaalsContact O-CA 3.31Å; A309-E312 WeakPolarHBondContact O-CA 3.45Å; A309-E312 WeakPolarHBondContact O-CB 3.38Å; A309-E312 PolarHBondContact O-N 3.45Å; E312-K316 WeakPolarHBondContact O-CB 3.16Å; E312-K316 PolarHBondContact O-N 3.41Å; E312-K316 VanDerWaalsContact O-N 3.08Å; E312-D487 PolarHBondContact O-N 3.32Å |
| 313 | K | 87.1 | Confident | 90.1 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -51.7 | -64.9 | 162.1 | -152.7 | 168.6 | -164.4 | 71.9 | 0 | 106.6 | D186 A309 M310 E311 M315 K316 Q317 S486 D487 | D186-K313 IonicContact OD1-NZ 2.73Å; A309-K313 PolarHBondContact O-N 2.85Å; M310-K313 VanDerWaalsContact O-CB 3.31Å; M310-K313 WeakPolarHBondContact O-CB 3.37Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.37Å; K313-M315 VanDerWaalsContact C-N 3.29Å; K313-M315 PolarHBondContact O-N 3.41Å; K313-K316 CarbonylContact O-C 3.58Å; K313-K316 PolarHBondContact O-N 2.82Å; K313-Q317 VanDerWaalsContact C-CG 3.4Å; K313-Q317 HydrophobicContact CB-CG 4.48Å; K313-Q317 HydrophobicContact CG-CG 3.92Å; K313-Q317 WeakPolarHBondContact O-CA 3.29Å; K313-Q317 WeakPolarHBondContact O-CB 3.25Å; K313-Q317 WeakPolarHBondContact O-CG 3.47Å; K313-Q317 PolarHBondContact O-N 2.88Å; K313-S486 WeakPolarHBondContact CE-OG 3.38Å; K313-S486 PolarHBondContact NZ-OG 3.13Å; K313-S486 PolarHBondContact O-N 2.98Å; K313-D487 VanDerWaalsContact CA-N 3.3Å; K313-D487 HydrophobicContact CB-CB 4.02Å; K313-D487 VanDerWaalsContact CB-CG 3.4Å; K313-D487 WeakPolarHBondContact CB-OD1 3.47Å; K313-D487 HydrophobicContact CD-CB 4.4Å; K313-D487 WeakPolarHBondContact CD-OD2 3.31Å; K313-D487 WeakPolarHBondContact CE-OD2 3.43Å; K313-D487 HydrophobicContact CG-CB 3.77Å; K313-D487 WeakPolarHBondContact CG-OD2 3.38Å; K313-D487 PolarHBondContact N-OD1 3.12Å; K313-D487 IonicContact NZ-OD2 3.19Å; K313-D487 PolarHBondContact NZ-OD2 3.1Å |
| 314 | Q | 89.7 | Confident | 89.8 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.9 | -17.9 | -168.9 | -71.6 | 174.4 | 51.7 | 0 | 0 | 115 | M310 E311 Q317 K318 | M310-Q314 WeakPolarHBondContact O-CB 3.3Å; M310-Q314 VanDerWaalsContact O-CG 3.22Å; M310-Q314 WeakPolarHBondContact O-CG 3.13Å; M310-Q314 PolarHBondContact O-N 3.46Å; M310-Q314 PolarHBondContact O-NE2 3.03Å; E311-Q314 CarbonylContact O-C 3.43Å; E311-Q314 PolarHBondContact O-N 3.46Å; Q314-Q317 CarbonylContact O-C 3.53Å; Q314-K318 WeakPolarHBondContact O-CG 3.45Å; Q314-K318 PolarHBondContact O-N 2.91Å; Q314-K318 PolarHBondContact O-NZ 3.2Å |
| 315 | M | 90.7 | Very high | 89.6 | Confident | 110 Ų | 110 | 72 Ų | 72 | 54% | 0.542 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -89.2 | -44.1 | 176.7 | -76.6 | -56 | -56.6 | 0 | 0 | 111.7 | E311 K313 Q317 K318 E319 | E311-M315 HydrophobicContact CG-CG 4.25Å; E311-M315 VanDerWaalsContact O-CB 3.31Å; E311-M315 WeakPolarHBondContact O-CB 3.15Å; E311-M315 WeakPolarHBondContact O-CG 3.28Å; E311-M315 PolarHBondContact O-N 2.93Å; K313-M315 VanDerWaalsContact C-N 3.29Å; K313-M315 PolarHBondContact O-N 3.41Å; M315-Q317 PolarHBondContact O-N 2.71Å; M315-K318 CarbonylContact O-C 3.42Å; M315-K318 WeakPolarHBondContact O-CA 3.46Å; M315-K318 PolarHBondContact O-N 3.43Å; M315-E319 PolarHBondContact O-N 2.64Å |
| 316 | K | 87.3 | Confident | 89.5 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -26.2 | 160.5 | -67.2 | 178.7 | -175.4 | 175.4 | 0 | 110.6 | E96 E312 K313 K318 E319 R320 D484 N485 S486 D487 | E96-K316 IonicContact OE1-NZ 3.24Å; E96-K316 PolarHBondContact OE1-NZ 3.47Å; E96-K316 IonicContact OE2-NZ 2.75Å; E96-K316 PolarHBondContact OE2-NZ 3.07Å; E312-K316 WeakPolarHBondContact O-CB 3.16Å; E312-K316 PolarHBondContact O-N 3.41Å; E312-K316 VanDerWaalsContact O-N 3.08Å; K313-K316 CarbonylContact O-C 3.58Å; K313-K316 PolarHBondContact O-N 2.82Å; K316-K318 PolarHBondContact O-N 2.76Å; K316-K318 VanDerWaalsContact O-N 3.17Å; K316-E319 PolarHBondContact O-N 3.01Å; K316-R320 PolarHBondContact O-N 2.82Å; K316-D484 CarbonylContact O-C 3.6Å; K316-D484 VanDerWaalsContact O-C 3.28Å; K316-N485 CarbonylContact O-C 3.59Å; K316-N485 WeakPolarHBondContact O-CA 3.42Å; K316-N485 PolarHBondContact O-N 3.16Å; K316-S486 VanDerWaalsContact C-N 3.26Å; K316-S486 VanDerWaalsContact CD-C 3.46Å; K316-S486 WeakPolarHBondContact CD-O 3.46Å; K316-D487 PolarHBondContact NZ-O 3.34Å |
| 317 | Q | 86.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 78.7 Ų | 78.7 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 7 | 165.7 | -37.4 | -133.4 | -54.1 | 0 | 0 | 115 | K313 Q314 M315 D484 N485 S486 | K313-Q317 VanDerWaalsContact C-CG 3.4Å; K313-Q317 HydrophobicContact CB-CG 4.48Å; K313-Q317 HydrophobicContact CG-CG 3.92Å; K313-Q317 WeakPolarHBondContact O-CA 3.29Å; K313-Q317 WeakPolarHBondContact O-CB 3.25Å; K313-Q317 WeakPolarHBondContact O-CG 3.47Å; K313-Q317 PolarHBondContact O-N 2.88Å; Q314-Q317 CarbonylContact O-C 3.53Å; M315-Q317 PolarHBondContact O-N 2.71Å; Q317-D484 VanDerWaalsContact C-C 3.43Å; Q317-D484 CarbonylContact C-O 3.5Å; Q317-D484 VanDerWaalsContact C-O 3.3Å; Q317-D484 CarbonylContact O-C 3.38Å; Q317-D484 WeakPolarHBondContact O-CA 3.07Å; Q317-D484 PolarHBondContact O-N 3.49Å; Q317-N485 HydrophobicContact CG-CB 4.49Å; Q317-N485 PolarHBondContact NE2-OD1 3.13Å; Q317-N485 VanDerWaalsContact NE2-OD1 3.09Å; Q317-N485 PolarHBondContact OE1-OD1 3.34Å; Q317-S486 PolarHBondContact NE2-OG 2.78Å |
| 318 | K | 89.8 | Confident | 89.1 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 24 | 165.3 | -61 | 173.5 | -163.9 | 80.4 | 0 | 110.8 | Q314 M315 K316 H322 D483 D484 | Q314-K318 WeakPolarHBondContact O-CG 3.45Å; Q314-K318 PolarHBondContact O-N 2.91Å; Q314-K318 PolarHBondContact O-NZ 3.2Å; M315-K318 CarbonylContact O-C 3.42Å; M315-K318 WeakPolarHBondContact O-CA 3.46Å; M315-K318 PolarHBondContact O-N 3.43Å; K316-K318 PolarHBondContact O-N 2.76Å; K316-K318 VanDerWaalsContact O-N 3.17Å; K318-H322 WeakPolarHBondContact O-CB 3.46Å; K318-H322 PolarHBondContact O-ND1 3.36Å; K318-H322 VanDerWaalsContact O-ND1 3.13Å; K318-D483 HydrophobicContact CG-CB 4.48Å; K318-D484 PolarHBondContact N-O 3.24Å |
| 319 | E | 89.3 | Confident | 89 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | -32.6 | 178.1 | -153 | 176.4 | 177.1 | 0 | 0 | 115.2 | M315 K316 H322 L323 D484 | M315-E319 PolarHBondContact O-N 2.64Å; K316-E319 PolarHBondContact O-N 3.01Å; E319-H322 CarbonylContact O-C 3.55Å; E319-H322 VanDerWaalsContact O-C 3.32Å; E319-H322 WeakPolarHBondContact O-CA 3.26Å; E319-H322 WeakPolarHBondContact O-CB 2.97Å; E319-H322 PolarHBondContact O-N 3.01Å; E319-L323 WeakPolarHBondContact O-CG 3.32Å; E319-L323 PolarHBondContact O-N 3.12Å; E319-D484 CarbonylContact C-O 3.49Å; E319-D484 PolarHBondContact N-O 2.74Å |
| 320 | R | 83.9 | Confident | 89 | Confident | 72 Ų | 72 | 88 Ų | 88 | 27% | 0.272 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -83.6 | -25.2 | -178 | -161.9 | -99.1 | -173.2 | 117 | -0.9 | 116.8 | D136 G181 L183 K316 E324 D484 | D136-R320 IonicContact OD1-NH2 3.44Å; D136-R320 IonicContact OD2-NH2 3.87Å; D136-R320 PolarHBondContact OD2-NH2 2.84Å; G181-R320 PolarHBondContact O-NH1 2.94Å; G181-R320 PolarHBondContact O-NH2 3.39Å; L183-R320 HydrophobicContact CD2-CG 4.09Å; K316-R320 PolarHBondContact O-N 2.82Å; R320-E324 PolarHBondContact O-N 3.47Å; R320-D484 CarbonylContact C-O 3.32Å; R320-D484 WeakPolarHBondContact CA-O 3.5Å; R320-D484 PolarHBondContact N-O 2.7Å |
| 321 | A | 88.2 | Confident | 89 | Confident | 3 Ų | 3 | 86.2 Ų | 86.2 | 3% | 0.025 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -97.5 | -5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L323 E324 N325 R482 D484 | A321-L323 PolarHBondContact O-N 2.88Å; A321-L323 VanDerWaalsContact O-N 3.13Å; A321-E324 HydrophobicContact CB-CB 3.78Å; A321-E324 PolarHBondContact O-N 2.8Å; A321-N325 WeakPolarHBondContact O-CB 3.49Å; A321-N325 PolarHBondContact O-N 3.39Å; A321-R482 CarbonylContact C-O 3.53Å; A321-R482 VanDerWaalsContact C-O 3.26Å; A321-R482 CarbonylContact O-C 3.3Å; A321-D484 HydrophobicContact CB-CB 3.45Å; A321-D484 VanDerWaalsContact CB-CB 3.45Å; A321-D484 WeakPolarHBondContact CB-OD1 3.44Å; A321-D484 PolarHBondContact N-O 3.19Å |
| 322 | H | 89.9 | Confident | 89 | Confident | 70 Ų | 70 | 82.4 Ų | 82.4 | 32% | 0.324 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -3.4 | 154 | -126.6 | 88.5 | 0 | 0 | 0 | 111.9 | K318 E319 R482 D483 | K318-H322 WeakPolarHBondContact O-CB 3.46Å; K318-H322 PolarHBondContact O-ND1 3.36Å; K318-H322 VanDerWaalsContact O-ND1 3.13Å; E319-H322 CarbonylContact O-C 3.55Å; E319-H322 VanDerWaalsContact O-C 3.32Å; E319-H322 WeakPolarHBondContact O-CA 3.26Å; E319-H322 WeakPolarHBondContact O-CB 2.97Å; E319-H322 PolarHBondContact O-N 3.01Å; H322-R482 WeakPolarHBondContact CA-O 3.43Å; H322-R482 VanDerWaalsContact CD2-CD 3.49Å; H322-R482 WeakPolarHBondContact CD2-CD 3.39Å; H322-R482 PolarHBondContact CD2-NE 2.9Å; H322-R482 VanDerWaalsContact CG-CD 3.45Å; H322-R482 PolarHBondContact N-O 3.24Å; H322-R482 PolarHBondContact ND1-O 2.81Å; H322-R482 PolarHBondContact O-NE 2.79Å; H322-R482 PolarHBondContact O-NH2 3.46Å; H322-D483 IonicContact CE1-OD1 3.32Å; H322-D483 PolarHBondContact CE1-OD1 2.97Å; H322-D483 IonicContact ND1-OD1 3.32Å; H322-D483 PolarHBondContact ND1-OD1 2.73Å |
| 323 | L | 87.1 | Confident | 89.2 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 62% | 0.618 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -13.4 | 169.1 | -64.6 | 169.2 | 0 | 0 | 0 | 113.3 | E319 A321 | E319-L323 WeakPolarHBondContact O-CG 3.32Å; E319-L323 PolarHBondContact O-N 3.12Å; A321-L323 PolarHBondContact O-N 2.88Å; A321-L323 VanDerWaalsContact O-N 3.13Å |
| 324 | E | 86.5 | Confident | 89.4 | Confident | 77 Ų | 77 | 86 Ų | 86 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -91.9 | -42.5 | -179.9 | -162.9 | -119.6 | -157.1 | 0 | 0 | 113 | R320 A321 E326 K327 K328 | R320-E324 PolarHBondContact O-N 3.47Å; A321-E324 HydrophobicContact CB-CB 3.78Å; A321-E324 PolarHBondContact O-N 2.8Å; E324-E326 PolarHBondContact O-N 2.58Å; E324-K327 WeakPolarHBondContact O-CA 3.46Å; E324-K327 VanDerWaalsContact O-CB 3.28Å; E324-K327 WeakPolarHBondContact O-CB 3.48Å; E324-K327 PolarHBondContact O-N 3.34Å; E324-K327 VanDerWaalsContact O-N 3.12Å; E324-K328 WeakPolarHBondContact O-CG 3.49Å; E324-K328 PolarHBondContact O-N 2.85Å; E324-K328 WeakPolarHBondContact OE1-CE 3.39Å; E324-K328 IonicContact OE1-NZ 2.76Å; E324-K328 PolarHBondContact OE1-NZ 3.44Å; E324-K328 WeakPolarHBondContact OE2-CE 3.49Å; E324-K328 IonicContact OE2-NZ 2.82Å; E324-K328 PolarHBondContact OE2-NZ 3.17Å |
| 325 | N | 90.3 | Very high | 89.5 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 179.1 | -170.2 | -47.1 | 0 | 0 | 0 | 111.7 | A321 K328 K329 R482 | A321-N325 WeakPolarHBondContact O-CB 3.49Å; A321-N325 PolarHBondContact O-N 3.39Å; N325-K328 PolarHBondContact O-N 3.36Å; N325-K329 PolarHBondContact O-N 3.36Å; N325-K329 PolarHBondContact OD1-NZ 2.89Å; N325-R482 HydrophobicContact CB-CB 3.84Å; N325-R482 HydrophobicContact CB-CG 3.72Å; N325-R482 WeakPolarHBondContact ND2-CA 3.35Å |
| 326 | E | 90.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.7 | -27 | 171.9 | -156.2 | -170.5 | 136.8 | 0 | 0 | 112.2 | E324 R330 R482 | E324-E326 PolarHBondContact O-N 2.58Å; E326-R330 HydrophobicContact CG-CG 4.36Å; E326-R330 VanDerWaalsContact O-CB 3.29Å; E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 WeakPolarHBondContact O-CG 3.28Å; E326-R330 PolarHBondContact O-N 3.31Å; E326-R330 IonicContact OE1-CZ 3.41Å; E326-R330 IonicContact OE1-NE 3.49Å; E326-R330 PolarHBondContact OE1-NE 3.23Å; E326-R330 IonicContact OE1-NH2 2.77Å; E326-R330 PolarHBondContact OE1-NH2 3.35Å; E326-R482 IonicContact OE2-CZ 3.33Å; E326-R482 IonicContact OE2-NH1 3.44Å; E326-R482 PolarHBondContact OE2-NH1 2.89Å; E326-R482 IonicContact OE2-NH2 3.39Å; E326-R482 PolarHBondContact OE2-NH2 3.22Å |
| 327 | K | 88.6 | Confident | 90 | Very high | 133 Ų | 133 | 90.4 Ų | 90.4 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.5 | -55.5 | 166.1 | -155.1 | -164.6 | 174.9 | -174.2 | 0 | 109.5 | E324 K329 R330 E331 | E324-K327 WeakPolarHBondContact O-CA 3.46Å; E324-K327 VanDerWaalsContact O-CB 3.28Å; E324-K327 WeakPolarHBondContact O-CB 3.48Å; E324-K327 PolarHBondContact O-N 3.34Å; E324-K327 VanDerWaalsContact O-N 3.12Å; K327-K329 VanDerWaalsContact C-N 3.27Å; K327-K329 PolarHBondContact O-N 2.61Å; K327-K329 VanDerWaalsContact O-N 3.15Å; K327-R330 PolarHBondContact O-N 3.03Å; K327-R330 VanDerWaalsContact O-N 3.17Å; K327-E331 WeakPolarHBondContact CD-OE1 3.45Å; K327-E331 VanDerWaalsContact CE-OE1 3.25Å; K327-E331 WeakPolarHBondContact CE-OE1 3.44Å; K327-E331 WeakPolarHBondContact CG-OE1 3.41Å; K327-E331 WeakPolarHBondContact O-CB 3.42Å; K327-E331 VanDerWaalsContact O-CG 3.26Å; K327-E331 WeakPolarHBondContact O-CG 3.45Å; K327-E331 PolarHBondContact O-N 3.37Å |
| 328 | K | 90 | Very high | 90.3 | Very high | 111 Ų | 111 | 92.8 Ų | 92.8 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -53.3 | -36.6 | 178.1 | -72.4 | 171.7 | 175.4 | 165.5 | 0 | 113.8 | E324 N325 A332 | E324-K328 WeakPolarHBondContact O-CG 3.49Å; E324-K328 PolarHBondContact O-N 2.85Å; E324-K328 WeakPolarHBondContact OE1-CE 3.39Å; E324-K328 IonicContact OE1-NZ 2.76Å; E324-K328 PolarHBondContact OE1-NZ 3.44Å; E324-K328 WeakPolarHBondContact OE2-CE 3.49Å; E324-K328 IonicContact OE2-NZ 2.82Å; E324-K328 PolarHBondContact OE2-NZ 3.17Å; N325-K328 PolarHBondContact O-N 3.36Å; K328-A332 WeakPolarHBondContact O-CB 3.37Å; K328-A332 PolarHBondContact O-N 2.87Å |
| 329 | K | 92.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 94 Ų | 94 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -87.1 | -30.6 | 177.1 | -69.6 | -162.7 | -173.2 | 94.6 | 0 | 115.4 | N325 K327 E331 A332 I333 Y479 N480 | N325-K329 PolarHBondContact O-N 3.36Å; N325-K329 PolarHBondContact OD1-NZ 2.89Å; K327-K329 VanDerWaalsContact C-N 3.27Å; K327-K329 PolarHBondContact O-N 2.61Å; K327-K329 VanDerWaalsContact O-N 3.15Å; K329-E331 VanDerWaalsContact C-N 3.33Å; K329-A332 PolarHBondContact O-N 2.84Å; K329-I333 WeakPolarHBondContact O-CD1 3.46Å; K329-I333 VanDerWaalsContact O-CG1 3.29Å; K329-I333 WeakPolarHBondContact O-CG1 3.38Å; K329-I333 PolarHBondContact O-N 2.85Å; K329-Y479 WeakPolarHBondContact CE-O 3.28Å; K329-Y479 PolarHBondContact NZ-O 2.97Å; K329-N480 WeakPolarHBondContact CD-OD1 3.28Å; K329-N480 WeakPolarHBondContact CE-OD1 3.36Å; K329-N480 PolarHBondContact NZ-OD1 2.95Å |
| 330 | R | 90.3 | Very high | 90.7 | Very high | 164 Ų | 164 | 93.3 Ų | 93.3 | 62% | 0.619 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 167 | -75.6 | 174.1 | -176.8 | -154.4 | 7.1 | 109.8 | E326 K327 A332 I333 E334 | E326-R330 HydrophobicContact CG-CG 4.36Å; E326-R330 VanDerWaalsContact O-CB 3.29Å; E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 WeakPolarHBondContact O-CG 3.28Å; E326-R330 PolarHBondContact O-N 3.31Å; E326-R330 IonicContact OE1-CZ 3.41Å; E326-R330 IonicContact OE1-NE 3.49Å; E326-R330 PolarHBondContact OE1-NE 3.23Å; E326-R330 IonicContact OE1-NH2 2.77Å; E326-R330 PolarHBondContact OE1-NH2 3.35Å; K327-R330 PolarHBondContact O-N 3.03Å; K327-R330 VanDerWaalsContact O-N 3.17Å; R330-A332 VanDerWaalsContact C-N 3.31Å; R330-A332 PolarHBondContact O-N 3.21Å; R330-I333 PolarHBondContact O-N 3.29Å; R330-E334 WeakPolarHBondContact O-CB 3.19Å; R330-E334 PolarHBondContact O-N 3.01Å |
| 331 | E | 90.8 | Very high | 91.2 | Very high | 59 Ų | 59 | 93.6 Ų | 93.6 | 28% | 0.276 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 173.1 | -69.1 | 173.4 | -156.5 | 0 | 0 | 112.5 | K327 K329 E334 R335 | K327-E331 WeakPolarHBondContact CD-OE1 3.45Å; K327-E331 VanDerWaalsContact CE-OE1 3.25Å; K327-E331 WeakPolarHBondContact CE-OE1 3.44Å; K327-E331 WeakPolarHBondContact CG-OE1 3.41Å; K327-E331 WeakPolarHBondContact O-CB 3.42Å; K327-E331 VanDerWaalsContact O-CG 3.26Å; K327-E331 WeakPolarHBondContact O-CG 3.45Å; K327-E331 PolarHBondContact O-N 3.37Å; K329-E331 VanDerWaalsContact C-N 3.33Å; E331-E334 PolarHBondContact O-N 3.16Å; E331-R335 WeakPolarHBondContact O-CB 3.41Å; E331-R335 WeakPolarHBondContact O-CG 3.5Å; E331-R335 PolarHBondContact O-N 2.81Å; E331-R335 PolarHBondContact O-NE 3.23Å; E331-R335 IonicContact OE2-CZ 3.31Å; E331-R335 IonicContact OE2-NH2 3.05Å; E331-R335 PolarHBondContact OE2-NH2 3.43Å |
| 332 | A | 92.4 | Very high | 91.4 | Very high | 45 Ų | 45 | 98.8 Ų | 98.8 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K328 K329 R330 E334 R335 E336 | K328-A332 WeakPolarHBondContact O-CB 3.37Å; K328-A332 PolarHBondContact O-N 2.87Å; K329-A332 PolarHBondContact O-N 2.84Å; R330-A332 VanDerWaalsContact C-N 3.31Å; R330-A332 PolarHBondContact O-N 3.21Å; A332-E334 VanDerWaalsContact C-N 3.27Å; A332-E334 PolarHBondContact O-N 3Å; A332-R335 PolarHBondContact O-N 3.38Å; A332-E336 WeakPolarHBondContact O-CB 3.21Å; A332-E336 PolarHBondContact O-N 3.1Å |
| 333 | I | 93.1 | Very high | 91.6 | Very high | 110 Ų | 110 | 101.3 Ų | 101.3 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.5 | -36.1 | 176 | -68.6 | 163.9 | 0 | 0 | 0 | 110.9 | K329 R330 K337 | K329-I333 WeakPolarHBondContact O-CD1 3.46Å; K329-I333 VanDerWaalsContact O-CG1 3.29Å; K329-I333 WeakPolarHBondContact O-CG1 3.38Å; K329-I333 PolarHBondContact O-N 2.85Å; R330-I333 PolarHBondContact O-N 3.29Å; I333-K337 WeakPolarHBondContact O-CB 3.5Å; I333-K337 PolarHBondContact O-N 3.35Å |
| 334 | E | 91 | Very high | 92 | Very high | 118 Ų | 118 | 100.4 Ų | 100.4 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67 | -47.6 | 176.6 | -172.8 | 154.5 | -128.4 | 0 | 0 | 111.6 | R330 E331 A332 E336 K337 E338 | R330-E334 WeakPolarHBondContact O-CB 3.19Å; R330-E334 PolarHBondContact O-N 3.01Å; E331-E334 PolarHBondContact O-N 3.16Å; A332-E334 VanDerWaalsContact C-N 3.27Å; A332-E334 PolarHBondContact O-N 3Å; E334-E336 PolarHBondContact O-N 2.85Å; E334-K337 WeakPolarHBondContact O-CB 3.22Å; E334-K337 PolarHBondContact O-N 2.8Å; E334-E338 WeakPolarHBondContact O-CG 3.22Å; E334-E338 PolarHBondContact O-N 3.47Å |
| 335 | R | 92.9 | Very high | 92.3 | Very high | 131 Ų | 131 | 102.2 Ų | 102.2 | 49% | 0.494 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 174 | -67.5 | 171.9 | -136.9 | 165.8 | 0.6 | 112.5 | E331 A332 E338 Q339 | E331-R335 WeakPolarHBondContact O-CB 3.41Å; E331-R335 WeakPolarHBondContact O-CG 3.5Å; E331-R335 PolarHBondContact O-N 2.81Å; E331-R335 PolarHBondContact O-NE 3.23Å; E331-R335 IonicContact OE2-CZ 3.31Å; E331-R335 IonicContact OE2-NH2 3.05Å; E331-R335 PolarHBondContact OE2-NH2 3.43Å; A332-R335 PolarHBondContact O-N 3.38Å; R335-E338 PolarHBondContact O-N 2.85Å; R335-Q339 WeakPolarHBondContact O-CG 3.31Å; R335-Q339 PolarHBondContact O-N 3.05Å |
| 336 | E | 93 | Very high | 92.5 | Very high | 112 Ų | 112 | 105.1 Ų | 105.1 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.5 | -168.9 | -175.5 | 178.6 | 0 | 0 | 111.1 | A332 E334 Q339 M340 | A332-E336 WeakPolarHBondContact O-CB 3.21Å; A332-E336 PolarHBondContact O-N 3.1Å; E334-E336 PolarHBondContact O-N 2.85Å; E336-Q339 PolarHBondContact O-N 3.38Å; E336-M340 HydrophobicContact CG-CE 4.2Å; E336-M340 WeakPolarHBondContact O-CG 3.19Å; E336-M340 PolarHBondContact O-N 2.84Å |
| 337 | K | 93.7 | Very high | 92.7 | Very high | 129 Ų | 129 | 107.1 Ų | 107.1 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 173.3 | -179.7 | -166.9 | 169.1 | -158.1 | 0 | 112.1 | I333 E334 Q339 M340 E341 | I333-K337 WeakPolarHBondContact O-CB 3.5Å; I333-K337 PolarHBondContact O-N 3.35Å; E334-K337 WeakPolarHBondContact O-CB 3.22Å; E334-K337 PolarHBondContact O-N 2.8Å; K337-Q339 VanDerWaalsContact C-N 3.34Å; K337-M340 PolarHBondContact O-N 3.45Å; K337-E341 VanDerWaalsContact O-CB 3.28Å; K337-E341 WeakPolarHBondContact O-CB 3.38Å; K337-E341 PolarHBondContact O-N 2.81Å |
| 338 | E | 93.4 | Very high | 93 | Very high | 115 Ų | 115 | 106.4 Ų | 106.4 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.5 | -74 | -175 | 145.6 | 0 | 0 | 111.8 | E334 R335 E341 Q342 | E334-E338 WeakPolarHBondContact O-CG 3.22Å; E334-E338 PolarHBondContact O-N 3.47Å; R335-E338 PolarHBondContact O-N 2.85Å; E338-E341 PolarHBondContact O-N 3.45Å; E338-Q342 VanDerWaalsContact O-CG 3.3Å; E338-Q342 WeakPolarHBondContact O-CG 3.19Å; E338-Q342 PolarHBondContact O-N 3.06Å |
| 339 | Q | 93.9 | Very high | 93.2 | Very high | 123 Ų | 123 | 106.4 Ų | 106.4 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -48.8 | 174.5 | -72 | 172.1 | 6 | 0 | 0 | 111.4 | R335 E336 K337 E341 Q342 E343 | R335-Q339 WeakPolarHBondContact O-CG 3.31Å; R335-Q339 PolarHBondContact O-N 3.05Å; E336-Q339 PolarHBondContact O-N 3.38Å; K337-Q339 VanDerWaalsContact C-N 3.34Å; Q339-E341 VanDerWaalsContact C-N 3.3Å; Q339-E341 PolarHBondContact O-N 3.21Å; Q339-Q342 PolarHBondContact O-N 2.99Å; Q339-E343 WeakPolarHBondContact O-CG 3.44Å; Q339-E343 PolarHBondContact O-N 3.2Å |
| 340 | M | 94 | Very high | 93.3 | Very high | 106 Ų | 106 | 110 Ų | 110 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 175.2 | -73.6 | -171.4 | -72.4 | 0 | 0 | 112.9 | E336 K337 K344 | E336-M340 HydrophobicContact CG-CE 4.2Å; E336-M340 WeakPolarHBondContact O-CG 3.19Å; E336-M340 PolarHBondContact O-N 2.84Å; K337-M340 PolarHBondContact O-N 3.45Å; M340-K344 WeakPolarHBondContact O-CB 3.38Å; M340-K344 PolarHBondContact O-N 3.43Å |
| 341 | E | 92.8 | Very high | 93.4 | Very high | 78 Ų | 78 | 107.9 Ų | 107.9 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 176.8 | -169.8 | 63.7 | -129.4 | 0 | 0 | 111 | K337 E338 Q339 K344 Q345 | K337-E341 VanDerWaalsContact O-CB 3.28Å; K337-E341 WeakPolarHBondContact O-CB 3.38Å; K337-E341 PolarHBondContact O-N 2.81Å; E338-E341 PolarHBondContact O-N 3.45Å; Q339-E341 VanDerWaalsContact C-N 3.3Å; Q339-E341 PolarHBondContact O-N 3.21Å; E341-K344 WeakPolarHBondContact OE1-CE 3.24Å; E341-K344 IonicContact OE1-NZ 2.6Å; E341-K344 PolarHBondContact OE1-NZ 3.38Å; E341-K344 IonicContact OE2-NZ 3.4Å; E341-K344 PolarHBondContact OE2-NZ 3.19Å; E341-Q345 VanDerWaalsContact O-CG 3.3Å; E341-Q345 WeakPolarHBondContact O-CG 3.47Å; E341-Q345 PolarHBondContact O-N 2.63Å |
| 342 | Q | 94.1 | Very high | 93.5 | Very high | 112 Ų | 112 | 112 Ų | 112 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 173.4 | -69.8 | 173.5 | 32.8 | 0 | 0 | 112.4 | E338 Q339 Q345 Q346 | E338-Q342 VanDerWaalsContact O-CG 3.3Å; E338-Q342 WeakPolarHBondContact O-CG 3.19Å; E338-Q342 PolarHBondContact O-N 3.06Å; Q339-Q342 PolarHBondContact O-N 2.99Å; Q342-Q345 PolarHBondContact O-N 3.05Å; Q342-Q346 WeakPolarHBondContact O-CG 3.49Å; Q342-Q346 PolarHBondContact O-N 3.4Å |
| 343 | E | 93.9 | Very high | 93.5 | Very high | 123 Ų | 123 | 114.4 Ų | 114.4 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 175.5 | -72.9 | -167.8 | 163 | 0 | 0 | 111.8 | Q339 Q345 Q346 L347 | Q339-E343 WeakPolarHBondContact O-CG 3.44Å; Q339-E343 PolarHBondContact O-N 3.2Å; E343-Q345 VanDerWaalsContact C-N 3.32Å; E343-Q345 PolarHBondContact O-N 2.88Å; E343-Q346 PolarHBondContact O-N 3.15Å; E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 3.28Å |
| 344 | K | 94.1 | Very high | 93.5 | Very high | 98 Ų | 98 | 115.5 Ų | 115.5 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.1 | -171.7 | -171.2 | 75.1 | -164.1 | 0 | 111.4 | M340 E341 L347 M348 | M340-K344 WeakPolarHBondContact O-CB 3.38Å; M340-K344 PolarHBondContact O-N 3.43Å; E341-K344 WeakPolarHBondContact OE1-CE 3.24Å; E341-K344 IonicContact OE1-NZ 2.6Å; E341-K344 PolarHBondContact OE1-NZ 3.38Å; E341-K344 IonicContact OE2-NZ 3.4Å; E341-K344 PolarHBondContact OE2-NZ 3.19Å; K344-L347 PolarHBondContact O-N 3.13Å; K344-M348 VanDerWaalsContact O-CB 3.25Å; K344-M348 WeakPolarHBondContact O-CB 3.35Å; K344-M348 PolarHBondContact O-N 3.04Å |
| 345 | Q | 94 | Very high | 93.5 | Very high | 115 Ų | 115 | 114.5 Ų | 114.5 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.4 | -71.7 | 172.3 | 24.9 | 0 | 0 | 112 | E341 Q342 E343 M348 M349 | E341-Q345 VanDerWaalsContact O-CG 3.3Å; E341-Q345 WeakPolarHBondContact O-CG 3.47Å; E341-Q345 PolarHBondContact O-N 2.63Å; Q342-Q345 PolarHBondContact O-N 3.05Å; E343-Q345 VanDerWaalsContact C-N 3.32Å; E343-Q345 PolarHBondContact O-N 2.88Å; Q345-M348 PolarHBondContact O-N 3.05Å; Q345-M349 WeakPolarHBondContact O-CB 3.34Å; Q345-M349 PolarHBondContact O-N 3.48Å |
| 346 | Q | 94.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 113.6 Ų | 113.6 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.7 | -69.4 | -175.2 | 40.9 | 0 | 0 | 112.5 | Q342 E343 M349 R350 | Q342-Q346 WeakPolarHBondContact O-CG 3.49Å; Q342-Q346 PolarHBondContact O-N 3.4Å; E343-Q346 PolarHBondContact O-N 3.15Å; Q346-M349 PolarHBondContact O-N 3.08Å; Q346-R350 WeakPolarHBondContact O-CG 3.22Å; Q346-R350 PolarHBondContact O-N 2.77Å |
| 347 | L | 94.8 | Very high | 93.4 | Very high | 100 Ų | 100 | 114.6 Ų | 114.6 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176 | -77.1 | 167.2 | 0 | 0 | 0 | 111.7 | E343 K344 M349 R350 L351 | E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 3.28Å; K344-L347 PolarHBondContact O-N 3.13Å; L347-M349 PolarHBondContact O-N 3.26Å; L347-R350 PolarHBondContact O-N 2.96Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.18Å |
| 348 | M | 93.6 | Very high | 93.2 | Very high | 117 Ų | 117 | 112 Ų | 112 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 175.6 | -171 | 179.3 | -63.7 | 0 | 0 | 111.7 | K344 Q345 L351 Y352 | K344-M348 VanDerWaalsContact O-CB 3.25Å; K344-M348 WeakPolarHBondContact O-CB 3.35Å; K344-M348 PolarHBondContact O-N 3.04Å; Q345-M348 PolarHBondContact O-N 3.05Å; M348-L351 PolarHBondContact O-N 3.3Å; M348-Y352 PolarHBondContact O-N 3.37Å |
| 349 | M | 94.4 | Very high | 93.2 | Very high | 112 Ų | 112 | 111.8 Ų | 111.8 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 174.3 | -176.3 | 173.5 | 61.9 | 0 | 0 | 112.3 | Q345 Q346 L347 Q353 | Q345-M349 WeakPolarHBondContact O-CB 3.34Å; Q345-M349 PolarHBondContact O-N 3.48Å; Q346-M349 PolarHBondContact O-N 3.08Å; L347-M349 PolarHBondContact O-N 3.26Å; M349-Q353 WeakPolarHBondContact O-CG 3.36Å; M349-Q353 PolarHBondContact O-N 2.82Å; M349-Q353 VanDerWaalsContact O-N 3.09Å |
| 350 | R | 94.7 | Very high | 93.1 | Very high | 142 Ų | 142 | 112.4 Ų | 112.4 | 54% | 0.536 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 173 | -73 | 179.5 | -174 | 177.1 | 5.9 | 111.9 | Q346 L347 Q353 F354 | Q346-R350 WeakPolarHBondContact O-CG 3.22Å; Q346-R350 PolarHBondContact O-N 2.77Å; L347-R350 PolarHBondContact O-N 2.96Å; R350-Q353 PolarHBondContact O-N 2.67Å; R350-F354 VanDerWaalsContact O-CD2 3.25Å; R350-F354 WeakPolarHBondContact O-CD2 3.25Å; R350-F354 PolarHBondContact O-N 2.76Å |
| 351 | L | 92.1 | Very high | 92.9 | Very high | 119 Ų | 119 | 110.1 Ų | 110.1 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 176.7 | -77.4 | 168.4 | 0 | 0 | 0 | 111.4 | L347 M348 Q353 F354 E355 | L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.18Å; M348-L351 PolarHBondContact O-N 3.3Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 2.83Å; L351-F354 PolarHBondContact O-N 2.74Å; L351-F354 VanDerWaalsContact O-N 3.09Å; L351-E355 PolarHBondContact O-N 3.09Å |
| 352 | Y | 93.1 | Very high | 92.7 | Very high | 146 Ų | 146 | 112 Ų | 112 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58 | -44.2 | 173.9 | -176.9 | -91.6 | 0 | 0 | 0 | 112.2 | M348 F354 E355 E356 | M348-Y352 PolarHBondContact O-N 3.37Å; Y352-F354 VanDerWaalsContact C-N 3.3Å; Y352-F354 PolarHBondContact O-N 3.04Å; Y352-E355 PolarHBondContact O-N 3.24Å; Y352-E356 HydrophobicContact CD1-CG 4.2Å; Y352-E356 HydrophobicContact CE1-CG 3.69Å; Y352-E356 WeakPolarHBondContact O-CB 3.44Å; Y352-E356 PolarHBondContact O-N 2.83Å |
| 353 | Q | 93.3 | Very high | 92.6 | Very high | 95 Ų | 95 | 112.9 Ų | 112.9 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -28.9 | 175.3 | -71.5 | 176.3 | 11.6 | 0 | 0 | 113.7 | M349 R350 L351 K357 | M349-Q353 WeakPolarHBondContact O-CG 3.36Å; M349-Q353 PolarHBondContact O-N 2.82Å; M349-Q353 VanDerWaalsContact O-N 3.09Å; R350-Q353 PolarHBondContact O-N 2.67Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 2.83Å; Q353-K357 VanDerWaalsContact O-CD 3.3Å; Q353-K357 WeakPolarHBondContact O-CD 3.49Å; Q353-K357 WeakPolarHBondContact O-CG 3.42Å; Q353-K357 PolarHBondContact O-N 3.16Å |
| 354 | F | 92.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 110.6 Ų | 110.6 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -74.8 | -43.1 | 171.3 | -84.8 | -68.1 | 0 | 0 | 0 | 111.4 | R350 L351 Y352 E356 K357 T358 | R350-F354 VanDerWaalsContact O-CD2 3.25Å; R350-F354 WeakPolarHBondContact O-CD2 3.25Å; R350-F354 PolarHBondContact O-N 2.76Å; L351-F354 PolarHBondContact O-N 2.74Å; L351-F354 VanDerWaalsContact O-N 3.09Å; Y352-F354 VanDerWaalsContact C-N 3.3Å; Y352-F354 PolarHBondContact O-N 3.04Å; F354-E356 PolarHBondContact O-N 3.26Å; F354-K357 PolarHBondContact O-N 3.16Å; F354-K357 VanDerWaalsContact O-N 3.16Å; F354-T358 PolarHBondContact O-N 2.79Å; F354-T358 PolarHBondContact O-OG1 3.09Å; F354-T358 VanDerWaalsContact O-OG1 3.08Å |
| 355 | E | 90.9 | Very high | 92.3 | Very high | 97 Ų | 97 | 110.5 Ų | 110.5 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.7 | -166.4 | -174.6 | 164.3 | 0 | 0 | 112.1 | L351 Y352 K357 T358 K359 | L351-E355 PolarHBondContact O-N 3.09Å; Y352-E355 PolarHBondContact O-N 3.24Å; E355-K357 PolarHBondContact O-N 3.3Å; E355-T358 PolarHBondContact O-N 3.06Å; E355-K359 HydrophobicContact CG-CD 4.32Å; E355-K359 WeakPolarHBondContact O-CB 3.43Å; E355-K359 WeakPolarHBondContact O-CG 3.47Å; E355-K359 PolarHBondContact O-N 2.61Å; E355-K359 WeakPolarHBondContact OE1-CE 2.91Å; E355-K359 IonicContact OE1-NZ 2.87Å; E355-K359 PolarHBondContact OE1-NZ 3.05Å |
| 356 | E | 92.9 | Very high | 92.1 | Very high | 112 Ų | 112 | 110.8 Ų | 110.8 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -54.9 | -47.9 | 169.9 | -86 | -96.6 | 105.8 | 0 | 0 | 112.2 | Y352 F354 K360 | Y352-E356 HydrophobicContact CD1-CG 4.2Å; Y352-E356 HydrophobicContact CE1-CG 3.69Å; Y352-E356 WeakPolarHBondContact O-CB 3.44Å; Y352-E356 PolarHBondContact O-N 2.83Å; F354-E356 PolarHBondContact O-N 3.26Å; E356-K360 WeakPolarHBondContact O-CB 3.02Å; E356-K360 PolarHBondContact O-N 2.89Å |
| 357 | K | 91.8 | Very high | 92 | Very high | 134 Ų | 134 | 108.5 Ų | 108.5 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 179.3 | -74.4 | 169.3 | -172.7 | 170.7 | 0 | 112 | Q353 F354 E355 K360 A361 | Q353-K357 VanDerWaalsContact O-CD 3.3Å; Q353-K357 WeakPolarHBondContact O-CD 3.49Å; Q353-K357 WeakPolarHBondContact O-CG 3.42Å; Q353-K357 PolarHBondContact O-N 3.16Å; F354-K357 PolarHBondContact O-N 3.16Å; F354-K357 VanDerWaalsContact O-N 3.16Å; E355-K357 PolarHBondContact O-N 3.3Å; K357-K360 PolarHBondContact O-N 2.91Å; K357-A361 WeakPolarHBondContact O-CB 3.36Å; K357-A361 PolarHBondContact O-N 3.07Å |
| 358 | T | 89.1 | Confident | 91.7 | Very high | 74 Ų | 74 | 109.8 Ų | 109.8 | 45% | 0.454 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -51.3 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | F354 E355 K360 A361 E362 | F354-T358 PolarHBondContact O-N 2.79Å; F354-T358 PolarHBondContact O-OG1 3.09Å; F354-T358 VanDerWaalsContact O-OG1 3.08Å; E355-T358 PolarHBondContact O-N 3.06Å; T358-K360 PolarHBondContact O-N 2.7Å; T358-A361 CarbonylContact O-C 3.54Å; T358-A361 PolarHBondContact O-N 3.38Å; T358-E362 HydrophobicContact CG2-CG 4.29Å; T358-E362 WeakPolarHBondContact O-CB 3.37Å; T358-E362 WeakPolarHBondContact O-CG 3.31Å; T358-E362 PolarHBondContact O-N 3.24Å |
| 359 | K | 92.3 | Very high | 91.5 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.6 | -38 | 176.2 | -74.1 | 174.1 | -177.4 | 167.3 | 0 | 112.4 | E355 K363 | E355-K359 HydrophobicContact CG-CD 4.32Å; E355-K359 WeakPolarHBondContact O-CB 3.43Å; E355-K359 WeakPolarHBondContact O-CG 3.47Å; E355-K359 PolarHBondContact O-N 2.61Å; E355-K359 WeakPolarHBondContact OE1-CE 2.91Å; E355-K359 IonicContact OE1-NZ 2.87Å; E355-K359 PolarHBondContact OE1-NZ 3.05Å; K359-K363 WeakPolarHBondContact O-CB 3.25Å; K359-K363 PolarHBondContact O-N 2.87Å |
| 360 | K | 92.4 | Very high | 91.3 | Very high | 135 Ų | 135 | 109.8 Ų | 109.8 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -47.7 | 173.5 | -176 | 175.6 | 177.1 | -177.8 | 0 | 111.6 | E356 K357 T358 E362 K363 D364 | E356-K360 WeakPolarHBondContact O-CB 3.02Å; E356-K360 PolarHBondContact O-N 2.89Å; K357-K360 PolarHBondContact O-N 2.91Å; T358-K360 PolarHBondContact O-N 2.7Å; K360-E362 PolarHBondContact O-N 2.86Å; K360-K363 PolarHBondContact O-N 2.91Å; K360-D364 WeakPolarHBondContact CE-OD2 3.47Å; K360-D364 WeakPolarHBondContact O-CB 3.33Å; K360-D364 VanDerWaalsContact O-CG 3.24Å; K360-D364 PolarHBondContact O-N 3.22Å |
| 361 | A | 89.8 | Confident | 91 | Very high | 58 Ų | 58 | 110.4 Ų | 110.4 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K357 T358 D364 L365 | K357-A361 WeakPolarHBondContact O-CB 3.36Å; K357-A361 PolarHBondContact O-N 3.07Å; T358-A361 CarbonylContact O-C 3.54Å; T358-A361 PolarHBondContact O-N 3.38Å; A361-D364 PolarHBondContact O-N 3.5Å; A361-L365 WeakPolarHBondContact O-CB 3.34Å; A361-L365 PolarHBondContact O-N 3.04Å |
| 362 | E | 88.4 | Confident | 90.8 | Very high | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 172.5 | -73 | 173.7 | 156.4 | 0 | 0 | 111.3 | T358 K360 L365 Q366 | T358-E362 HydrophobicContact CG2-CG 4.29Å; T358-E362 WeakPolarHBondContact O-CB 3.37Å; T358-E362 WeakPolarHBondContact O-CG 3.31Å; T358-E362 PolarHBondContact O-N 3.24Å; K360-E362 PolarHBondContact O-N 2.86Å; E362-L365 PolarHBondContact O-N 3.34Å; E362-Q366 WeakPolarHBondContact O-CB 3.47Å; E362-Q366 PolarHBondContact O-N 2.99Å |
| 363 | K | 92.1 | Very high | 90.7 | Very high | 130 Ų | 130 | 107 Ų | 107 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -47.4 | 175.5 | -175.2 | 177.5 | 178.3 | -179.6 | 0 | 112.2 | K359 K360 L365 Q366 D367 | K359-K363 WeakPolarHBondContact O-CB 3.25Å; K359-K363 PolarHBondContact O-N 2.87Å; K360-K363 PolarHBondContact O-N 2.91Å; K363-L365 PolarHBondContact O-N 3.27Å; K363-Q366 PolarHBondContact O-N 2.84Å; K363-Q366 VanDerWaalsContact O-N 3.11Å; K363-D367 WeakPolarHBondContact O-CB 3.4Å; K363-D367 PolarHBondContact O-N 3.31Å |
| 364 | D | 90.7 | Very high | 90.5 | Very high | 74 Ų | 74 | 107.2 Ų | 107.2 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -35.7 | 178.3 | -69.8 | -18.9 | 0 | 0 | 0 | 110.5 | K360 A361 Q368 | K360-D364 WeakPolarHBondContact CE-OD2 3.47Å; K360-D364 WeakPolarHBondContact O-CB 3.33Å; K360-D364 VanDerWaalsContact O-CG 3.24Å; K360-D364 PolarHBondContact O-N 3.22Å; A361-D364 PolarHBondContact O-N 3.5Å; D364-Q368 VanDerWaalsContact O-CG 3.28Å; D364-Q368 WeakPolarHBondContact O-CG 3.49Å; D364-Q368 PolarHBondContact O-N 2.96Å |
| 365 | L | 91.1 | Very high | 90.2 | Very high | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 172.4 | 179.3 | 63.3 | 0 | 0 | 0 | 112.8 | A361 E362 K363 Q368 L369 | A361-L365 WeakPolarHBondContact O-CB 3.34Å; A361-L365 PolarHBondContact O-N 3.04Å; E362-L365 PolarHBondContact O-N 3.34Å; K363-L365 PolarHBondContact O-N 3.27Å; L365-Q368 PolarHBondContact O-N 3.05Å; L365-L369 HydrophobicContact CG-CD1 4.27Å; L365-L369 WeakPolarHBondContact O-CG 3.38Å; L365-L369 PolarHBondContact O-N 3.44Å |
| 366 | Q | 90.4 | Very high | 90 | Very high | 120 Ų | 120 | 107.4 Ų | 107.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 175.9 | -171.6 | 176.2 | 16.7 | 0 | 0 | 111.6 | E362 K363 Q368 L369 Q370 | E362-Q366 WeakPolarHBondContact O-CB 3.47Å; E362-Q366 PolarHBondContact O-N 2.99Å; K363-Q366 PolarHBondContact O-N 2.84Å; K363-Q366 VanDerWaalsContact O-N 3.11Å; Q366-Q368 VanDerWaalsContact C-N 3.33Å; Q366-L369 PolarHBondContact O-N 3.14Å; Q366-Q370 PolarHBondContact O-N 2.88Å |
| 367 | D | 91.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 29% | 0.289 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 171.4 | -98.2 | 47.5 | 0 | 0 | 0 | 111.5 | K363 R371 | K363-D367 WeakPolarHBondContact O-CB 3.4Å; K363-D367 PolarHBondContact O-N 3.31Å; D367-R371 WeakPolarHBondContact O-CD 3.46Å; D367-R371 WeakPolarHBondContact O-CG 3.3Å; D367-R371 PolarHBondContact O-N 2.73Å; D367-R371 VanDerWaalsContact O-N 3.07Å; D367-R371 PolarHBondContact O-NE 2.88Å; D367-R371 IonicContact OD2-NH2 3.57Å; D367-R371 PolarHBondContact OD2-NH2 2.69Å; D367-R371 VanDerWaalsContact OD2-NH2 3.08Å |
| 368 | Q | 88.8 | Confident | 89.4 | Confident | 127 Ų | 127 | 105.4 Ų | 105.4 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.4 | -43.1 | 175.1 | -77.7 | 176.2 | 19.6 | 0 | 0 | 112.3 | D364 L365 Q366 Q370 R371 A372 | D364-Q368 VanDerWaalsContact O-CG 3.28Å; D364-Q368 WeakPolarHBondContact O-CG 3.49Å; D364-Q368 PolarHBondContact O-N 2.96Å; L365-Q368 PolarHBondContact O-N 3.05Å; Q366-Q368 VanDerWaalsContact C-N 3.33Å; Q368-Q370 PolarHBondContact O-N 2.84Å; Q368-R371 PolarHBondContact O-N 2.77Å; Q368-A372 WeakPolarHBondContact O-CB 3.42Å; Q368-A372 PolarHBondContact O-N 2.96Å |
| 369 | L | 89.9 | Confident | 89.2 | Confident | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 176.6 | -78.5 | 164.4 | 0 | 0 | 0 | 112 | L365 Q366 A372 M373 | L365-L369 HydrophobicContact CG-CD1 4.27Å; L365-L369 WeakPolarHBondContact O-CG 3.38Å; L365-L369 PolarHBondContact O-N 3.44Å; Q366-L369 PolarHBondContact O-N 3.14Å; L369-A372 PolarHBondContact O-N 3.35Å; L369-M373 PolarHBondContact O-N 2.93Å |
| 370 | Q | 90.3 | Very high | 89 | Confident | 120 Ų | 120 | 110 Ų | 110 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 173.8 | -75.2 | -170.8 | -14.5 | 0 | 0 | 112.2 | Q366 Q368 A372 M373 M374 | Q366-Q370 PolarHBondContact O-N 2.88Å; Q368-Q370 PolarHBondContact O-N 2.84Å; Q370-A372 PolarHBondContact O-N 3.37Å; Q370-M373 PolarHBondContact O-N 3.07Å; Q370-M374 WeakPolarHBondContact O-CG 3.38Å; Q370-M374 PolarHBondContact O-N 3.35Å |
| 371 | R | 89.2 | Confident | 88.7 | Confident | 155 Ų | 155 | 110.2 Ų | 110.2 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 175.4 | -69 | 164.1 | -155.2 | -123.9 | 5.7 | 111.7 | D367 Q368 M374 L375 | D367-R371 WeakPolarHBondContact O-CD 3.46Å; D367-R371 WeakPolarHBondContact O-CG 3.3Å; D367-R371 PolarHBondContact O-N 2.73Å; D367-R371 VanDerWaalsContact O-N 3.07Å; D367-R371 PolarHBondContact O-NE 2.88Å; D367-R371 IonicContact OD2-NH2 3.57Å; D367-R371 PolarHBondContact OD2-NH2 2.69Å; D367-R371 VanDerWaalsContact OD2-NH2 3.08Å; Q368-R371 PolarHBondContact O-N 2.77Å; R371-M374 PolarHBondContact O-N 3.01Å; R371-L375 WeakPolarHBondContact O-CB 3.31Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.49Å; R371-L375 PolarHBondContact O-N 3.48Å |
| 372 | A | 87.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 110.3 Ų | 110.3 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q368 L369 Q370 M374 L375 E376 | Q368-A372 WeakPolarHBondContact O-CB 3.42Å; Q368-A372 PolarHBondContact O-N 2.96Å; L369-A372 PolarHBondContact O-N 3.35Å; Q370-A372 PolarHBondContact O-N 3.37Å; A372-M374 PolarHBondContact O-N 3.33Å; A372-L375 PolarHBondContact O-N 3.48Å; A372-E376 WeakPolarHBondContact O-CB 3.45Å; A372-E376 PolarHBondContact O-N 3.32Å |
| 373 | M | 89.7 | Confident | 88.1 | Confident | 140 Ų | 140 | 109.1 Ų | 109.1 | 69% | 0.69 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 174.4 | -78.3 | -174.5 | 64.3 | 0 | 0 | 112.9 | L369 Q370 E376 Q377 | L369-M373 PolarHBondContact O-N 2.93Å; Q370-M373 PolarHBondContact O-N 3.07Å; M373-E376 PolarHBondContact O-N 3.26Å; M373-Q377 WeakPolarHBondContact O-CB 3.46Å; M373-Q377 PolarHBondContact O-N 3.26Å |
| 374 | M | 89.3 | Confident | 87.7 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 177.6 | -73.3 | -65.1 | -61.7 | 0 | 0 | 111.4 | Q370 R371 A372 E376 Q377 E378 | Q370-M374 WeakPolarHBondContact O-CG 3.38Å; Q370-M374 PolarHBondContact O-N 3.35Å; R371-M374 PolarHBondContact O-N 3.01Å; A372-M374 PolarHBondContact O-N 3.33Å; M374-E376 VanDerWaalsContact C-N 3.34Å; M374-E376 PolarHBondContact O-N 2.77Å; M374-Q377 PolarHBondContact O-N 3.17Å; M374-E378 WeakPolarHBondContact O-CG 3.4Å; M374-E378 PolarHBondContact O-N 2.82Å |
| 375 | L | 87.3 | Confident | 87.4 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 177.5 | -72.9 | 169.3 | 0 | 0 | 0 | 112.2 | R371 A372 E378 R379 | R371-L375 WeakPolarHBondContact O-CB 3.31Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.49Å; R371-L375 PolarHBondContact O-N 3.48Å; A372-L375 PolarHBondContact O-N 3.48Å; L375-E378 PolarHBondContact O-N 3.34Å; L375-R379 WeakPolarHBondContact O-CB 3.29Å; L375-R379 PolarHBondContact O-N 2.58Å |
| 376 | E | 85.1 | Confident | 86.9 | Confident | 123 Ų | 123 | 106.7 Ų | 106.7 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -35.5 | 175.1 | -174.7 | 165.6 | -157.9 | 0 | 0 | 112.2 | A372 M373 M374 R379 R380 | A372-E376 WeakPolarHBondContact O-CB 3.45Å; A372-E376 PolarHBondContact O-N 3.32Å; M373-E376 PolarHBondContact O-N 3.26Å; M374-E376 VanDerWaalsContact C-N 3.34Å; M374-E376 PolarHBondContact O-N 2.77Å; E376-R379 PolarHBondContact O-N 3.36Å; E376-R380 VanDerWaalsContact O-CB 3.29Å; E376-R380 WeakPolarHBondContact O-CB 3.46Å; E376-R380 PolarHBondContact O-N 3.24Å |
| 377 | Q | 86.7 | Confident | 86.7 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 174.1 | -166.5 | 175.7 | 43 | 0 | 0 | 112.2 | M373 M374 R381 | M373-Q377 WeakPolarHBondContact O-CB 3.46Å; M373-Q377 PolarHBondContact O-N 3.26Å; M374-Q377 PolarHBondContact O-N 3.17Å; Q377-R381 WeakPolarHBondContact O-CG 3.48Å; Q377-R381 PolarHBondContact O-N 3.46Å; Q377-R381 VanDerWaalsContact O-N 3.12Å |
| 378 | E | 85.9 | Confident | 86.6 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 172 | -72.8 | -178.6 | 163.6 | 0 | 0 | 111.8 | M374 L375 R380 R381 A382 | M374-E378 WeakPolarHBondContact O-CG 3.4Å; M374-E378 PolarHBondContact O-N 2.82Å; L375-E378 PolarHBondContact O-N 3.34Å; E378-R380 VanDerWaalsContact C-N 3.29Å; E378-R380 PolarHBondContact O-N 3.18Å; E378-R381 PolarHBondContact O-N 2.82Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-A382 PolarHBondContact O-N 2.81Å |
| 379 | R | 85.5 | Confident | 86.4 | Confident | 129 Ų | 129 | 105.9 Ų | 105.9 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -53.2 | -47.4 | 174 | -169 | -169 | 82.3 | 69.3 | 21.2 | 110.9 | L375 E376 A382 E383 | L375-R379 WeakPolarHBondContact O-CB 3.29Å; L375-R379 PolarHBondContact O-N 2.58Å; E376-R379 PolarHBondContact O-N 3.36Å; R379-A382 PolarHBondContact O-N 2.7Å; R379-E383 IonicContact CZ-OE1 3.91Å; R379-E383 IonicContact CZ-OE2 3.84Å; R379-E383 IonicContact NH1-OE1 3.17Å; R379-E383 PolarHBondContact NH1-OE1 3.49Å; R379-E383 IonicContact NH1-OE2 2.81Å; R379-E383 PolarHBondContact NH1-OE2 2.74Å; R379-E383 IonicContact NH2-OE1 2.7Å; R379-E383 IonicContact NH2-OE2 3.49Å; R379-E383 PolarHBondContact NH2-OE2 3.21Å; R379-E383 WeakPolarHBondContact O-CG 3.45Å; R379-E383 PolarHBondContact O-N 3.17Å |
| 380 | R | 87 | Confident | 86.1 | Confident | 152 Ų | 152 | 105.7 Ų | 105.7 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 177.3 | 178.9 | 178 | 165.4 | 161.7 | 3.6 | 112.7 | E376 E378 A382 E383 E384 | E376-R380 VanDerWaalsContact O-CB 3.29Å; E376-R380 WeakPolarHBondContact O-CB 3.46Å; E376-R380 PolarHBondContact O-N 3.24Å; E378-R380 VanDerWaalsContact C-N 3.29Å; E378-R380 PolarHBondContact O-N 3.18Å; R380-A382 VanDerWaalsContact C-N 3.3Å; R380-A382 PolarHBondContact O-N 3.26Å; R380-E383 PolarHBondContact O-N 3.16Å; R380-E384 HydrophobicContact CG-CG 4.45Å; R380-E384 IonicContact CZ-OE1 2.83Å; R380-E384 VanDerWaalsContact CZ-OE1 3.24Å; R380-E384 IonicContact NE-OE1 3.89Å; R380-E384 PolarHBondContact NE-OE1 2.68Å; R380-E384 IonicContact NH2-OE1 3.19Å; R380-E384 PolarHBondContact NH2-OE1 3.33Å; R380-E384 WeakPolarHBondContact O-CB 3.25Å; R380-E384 WeakPolarHBondContact O-CG 3.44Å; R380-E384 PolarHBondContact O-N 3.28Å |
| 381 | R | 86.8 | Confident | 85.7 | Confident | 140 Ų | 140 | 102.6 Ų | 102.6 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.8 | -73.7 | 172 | -175 | 164.4 | 6.1 | 111.7 | Q377 E378 E384 E385 | Q377-R381 WeakPolarHBondContact O-CG 3.48Å; Q377-R381 PolarHBondContact O-N 3.46Å; Q377-R381 VanDerWaalsContact O-N 3.12Å; E378-R381 PolarHBondContact O-N 2.82Å; E378-R381 VanDerWaalsContact O-N 3.13Å; R381-E384 PolarHBondContact O-N 3.27Å; R381-E385 WeakPolarHBondContact O-CB 3.33Å; R381-E385 PolarHBondContact O-N 2.83Å |
| 382 | A | 82.4 | Confident | 85.5 | Confident | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E378 R379 R380 A386 | E378-A382 PolarHBondContact O-N 2.81Å; R379-A382 PolarHBondContact O-N 2.7Å; R380-A382 VanDerWaalsContact C-N 3.3Å; R380-A382 PolarHBondContact O-N 3.26Å; A382-A386 WeakPolarHBondContact O-CB 3.46Å; A382-A386 PolarHBondContact O-N 3.31Å |
| 383 | E | 82.4 | Confident | 85.5 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 171.4 | -73 | 178.2 | 139.4 | 0 | 0 | 112.1 | R379 R380 E385 A386 A387 | R379-E383 IonicContact CZ-OE1 3.91Å; R379-E383 IonicContact CZ-OE2 3.84Å; R379-E383 IonicContact NH1-OE1 3.17Å; R379-E383 PolarHBondContact NH1-OE1 3.49Å; R379-E383 IonicContact NH1-OE2 2.81Å; R379-E383 PolarHBondContact NH1-OE2 2.74Å; R379-E383 IonicContact NH2-OE1 2.7Å; R379-E383 IonicContact NH2-OE2 3.49Å; R379-E383 PolarHBondContact NH2-OE2 3.21Å; R379-E383 WeakPolarHBondContact O-CG 3.45Å; R379-E383 PolarHBondContact O-N 3.17Å; R380-E383 PolarHBondContact O-N 3.16Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 PolarHBondContact O-N 3.39Å; E383-A386 PolarHBondContact O-N 2.99Å; E383-A387 WeakPolarHBondContact O-CB 3.34Å; E383-A387 PolarHBondContact O-N 2.96Å |
| 384 | E | 84.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 105 Ų | 105 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177 | -72.8 | 172 | 174 | 0 | 0 | 111.8 | R380 R381 R388 | R380-E384 HydrophobicContact CG-CG 4.45Å; R380-E384 IonicContact CZ-OE1 2.83Å; R380-E384 VanDerWaalsContact CZ-OE1 3.24Å; R380-E384 IonicContact NE-OE1 3.89Å; R380-E384 PolarHBondContact NE-OE1 2.68Å; R380-E384 IonicContact NH2-OE1 3.19Å; R380-E384 PolarHBondContact NH2-OE1 3.33Å; R380-E384 WeakPolarHBondContact O-CB 3.25Å; R380-E384 WeakPolarHBondContact O-CG 3.44Å; R380-E384 PolarHBondContact O-N 3.28Å; R381-E384 PolarHBondContact O-N 3.27Å; E384-R388 PolarHBondContact O-N 2.99Å |
| 385 | E | 85.1 | Confident | 85 | Confident | 92 Ų | 92 | 103.1 Ų | 103.1 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.7 | -41.3 | 173.8 | 177.8 | 146.4 | -111.7 | 0 | 0 | 113.3 | R381 E383 A387 R388 L389 | R381-E385 WeakPolarHBondContact O-CB 3.33Å; R381-E385 PolarHBondContact O-N 2.83Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 PolarHBondContact O-N 3.39Å; E385-A387 VanDerWaalsContact C-N 3.33Å; E385-A387 PolarHBondContact O-N 3.03Å; E385-R388 WeakPolarHBondContact O-CB 3.37Å; E385-R388 PolarHBondContact O-N 3.14Å; E385-R388 IonicContact OE1-CZ 2.76Å; E385-R388 IonicContact OE1-NH1 2.77Å; E385-R388 PolarHBondContact OE1-NH1 3.4Å; E385-R388 IonicContact OE1-NH2 3.95Å; E385-R388 PolarHBondContact OE1-NH2 3.22Å; E385-L389 HydrophobicContact CG-CD1 4.04Å; E385-L389 HydrophobicContact CG-CG 4.48Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 3.35Å |
| 386 | A | 80.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A382 E383 R388 L389 E390 | A382-A386 WeakPolarHBondContact O-CB 3.46Å; A382-A386 PolarHBondContact O-N 3.31Å; E383-A386 PolarHBondContact O-N 2.99Å; A386-R388 VanDerWaalsContact C-N 3.33Å; A386-R388 PolarHBondContact O-N 3.29Å; A386-L389 PolarHBondContact O-N 2.74Å; A386-E390 WeakPolarHBondContact O-CB 3.26Å; A386-E390 PolarHBondContact O-N 3.26Å |
| 387 | A | 85.8 | Confident | 84.4 | Confident | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E383 E385 A391 | E383-A387 WeakPolarHBondContact O-CB 3.34Å; E383-A387 PolarHBondContact O-N 2.96Å; E385-A387 VanDerWaalsContact C-N 3.33Å; E385-A387 PolarHBondContact O-N 3.03Å; A387-A391 WeakPolarHBondContact O-CB 3.29Å; A387-A391 PolarHBondContact O-N 3.24Å |
| 388 | R | 89 | Confident | 84.3 | Confident | 134 Ų | 134 | 100.3 Ų | 100.3 | 51% | 0.506 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 173.6 | -169 | -169 | 76.2 | -127.1 | -2.4 | 111.4 | E384 E385 A386 E390 A391 E392 | E384-R388 PolarHBondContact O-N 2.99Å; E385-R388 WeakPolarHBondContact O-CB 3.37Å; E385-R388 PolarHBondContact O-N 3.14Å; E385-R388 IonicContact OE1-CZ 2.76Å; E385-R388 IonicContact OE1-NH1 2.77Å; E385-R388 PolarHBondContact OE1-NH1 3.4Å; E385-R388 IonicContact OE1-NH2 3.95Å; E385-R388 PolarHBondContact OE1-NH2 3.22Å; A386-R388 VanDerWaalsContact C-N 3.33Å; A386-R388 PolarHBondContact O-N 3.29Å; R388-E390 VanDerWaalsContact C-N 3.34Å; R388-E390 PolarHBondContact O-N 2.7Å; R388-A391 PolarHBondContact O-N 2.91Å; R388-E392 WeakPolarHBondContact O-CB 3.14Å; R388-E392 PolarHBondContact O-N 3.09Å |
| 389 | L | 84.4 | Confident | 84.1 | Confident | 89 Ų | 89 | 97.8 Ų | 97.8 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | -179.8 | -69.5 | 169.1 | 0 | 0 | 0 | 112.4 | E385 A386 R393 | E385-L389 HydrophobicContact CG-CD1 4.04Å; E385-L389 HydrophobicContact CG-CG 4.48Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 3.35Å; A386-L389 PolarHBondContact O-N 2.74Å; L389-R393 VanDerWaalsContact O-CB 3.31Å; L389-R393 WeakPolarHBondContact O-CB 3.13Å; L389-R393 PolarHBondContact O-N 3.21Å |
| 390 | E | 82.7 | Confident | 83.7 | Confident | 104 Ų | 104 | 98.8 Ų | 98.8 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -39.5 | 175.1 | -176.4 | 147.1 | -130.1 | 0 | 0 | 112.3 | A386 R388 R393 Q394 | A386-E390 WeakPolarHBondContact O-CB 3.26Å; A386-E390 PolarHBondContact O-N 3.26Å; R388-E390 VanDerWaalsContact C-N 3.34Å; R388-E390 PolarHBondContact O-N 2.7Å; E390-R393 PolarHBondContact O-N 3.34Å; E390-Q394 WeakPolarHBondContact O-CG 3.46Å; E390-Q394 PolarHBondContact O-N 3.11Å |
| 391 | A | 83.5 | Confident | 83.4 | Confident | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A387 R388 Q394 A395 | A387-A391 WeakPolarHBondContact O-CB 3.29Å; A387-A391 PolarHBondContact O-N 3.24Å; R388-A391 PolarHBondContact O-N 2.91Å; A391-Q394 PolarHBondContact O-N 2.81Å; A391-A395 PolarHBondContact O-N 2.76Å |
| 392 | E | 84.4 | Confident | 83.1 | Confident | 122 Ų | 122 | 95.4 Ų | 95.4 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 174.9 | -173.5 | 169.7 | -164.7 | 0 | 0 | 111.7 | R388 A395 A396 | R388-E392 WeakPolarHBondContact O-CB 3.14Å; R388-E392 PolarHBondContact O-N 3.09Å; E392-A395 PolarHBondContact O-N 2.81Å; E392-A396 WeakPolarHBondContact O-CB 3.36Å; E392-A396 PolarHBondContact O-N 3.47Å |
| 393 | R | 86.7 | Confident | 82.8 | Confident | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 172.4 | 179.1 | -175.5 | 175.1 | -162 | -1 | 112.5 | L389 E390 A396 L397 | L389-R393 VanDerWaalsContact O-CB 3.31Å; L389-R393 WeakPolarHBondContact O-CB 3.13Å; L389-R393 PolarHBondContact O-N 3.21Å; E390-R393 PolarHBondContact O-N 3.34Å; R393-A396 PolarHBondContact O-N 2.79Å; R393-L397 HydrophobicContact CG-CD1 4.31Å; R393-L397 WeakPolarHBondContact O-CG 3.16Å; R393-L397 PolarHBondContact O-N 3.26Å |
| 394 | Q | 83.4 | Confident | 82.4 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 177.5 | -73.7 | 176.7 | 16 | 0 | 0 | 111.4 | E390 A391 A396 L397 L398 | E390-Q394 WeakPolarHBondContact O-CG 3.46Å; E390-Q394 PolarHBondContact O-N 3.11Å; A391-Q394 PolarHBondContact O-N 2.81Å; Q394-A396 PolarHBondContact O-N 3Å; Q394-L397 PolarHBondContact O-N 3.25Å; Q394-L398 WeakPolarHBondContact O-CG 3.17Å; Q394-L398 PolarHBondContact O-N 2.9Å |
| 395 | A | 84.5 | Confident | 82.1 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A391 E392 L397 L398 A399 | A391-A395 PolarHBondContact O-N 2.76Å; E392-A395 PolarHBondContact O-N 2.81Å; A395-L397 PolarHBondContact O-N 2.85Å; A395-L398 PolarHBondContact O-N 3.26Å; A395-A399 WeakPolarHBondContact O-CB 3.3Å; A395-A399 PolarHBondContact O-N 3.16Å |
| 396 | A | 80.1 | Confident | 81.7 | Confident | 63 Ų | 63 | 99.9 Ų | 99.9 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E392 R393 Q394 K400 | E392-A396 WeakPolarHBondContact O-CB 3.36Å; E392-A396 PolarHBondContact O-N 3.47Å; R393-A396 PolarHBondContact O-N 2.79Å; Q394-A396 PolarHBondContact O-N 3Å; A396-K400 WeakPolarHBondContact O-CB 3.36Å; A396-K400 PolarHBondContact O-N 3.27Å |
| 397 | L | 81.6 | Confident | 81.3 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 174.3 | -75.4 | 168.7 | 0 | 0 | 0 | 111.8 | R393 Q394 A395 A399 K400 E401 | R393-L397 HydrophobicContact CG-CD1 4.31Å; R393-L397 WeakPolarHBondContact O-CG 3.16Å; R393-L397 PolarHBondContact O-N 3.26Å; Q394-L397 PolarHBondContact O-N 3.25Å; A395-L397 PolarHBondContact O-N 2.85Å; L397-A399 PolarHBondContact O-N 3.32Å; L397-K400 WeakPolarHBondContact O-CB 3.35Å; L397-K400 PolarHBondContact O-N 2.94Å; L397-E401 PolarHBondContact O-N 3.4Å |
| 398 | L | 84.4 | Confident | 80.6 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 176.3 | -69.1 | 168.5 | 0 | 0 | 0 | 111.9 | Q394 A395 K400 E401 E402 | Q394-L398 WeakPolarHBondContact O-CG 3.17Å; Q394-L398 PolarHBondContact O-N 2.9Å; A395-L398 PolarHBondContact O-N 3.26Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-K400 PolarHBondContact O-N 3.29Å; L398-E401 PolarHBondContact O-N 2.84Å; L398-E402 PolarHBondContact O-N 3.29Å |
| 399 | A | 79.9 | Confident | 79.9 | Confident | 53 Ų | 53 | 98.1 Ų | 98.1 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A395 L397 L403 | A395-A399 WeakPolarHBondContact O-CB 3.3Å; A395-A399 PolarHBondContact O-N 3.16Å; L397-A399 PolarHBondContact O-N 3.32Å; A399-L403 WeakPolarHBondContact O-CB 3.32Å; A399-L403 WeakPolarHBondContact O-CG 3.36Å; A399-L403 PolarHBondContact O-N 2.94Å; A399-L403 VanDerWaalsContact O-N 3.12Å |
| 400 | K | 78.8 | Confident | 79.1 | Confident | 149 Ų | 149 | 100.7 Ų | 100.7 | 65% | 0.648 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 174.3 | -178.2 | -172.8 | 173.8 | -172.2 | 0 | 112 | A396 L397 L398 L403 A404 | A396-K400 WeakPolarHBondContact O-CB 3.36Å; A396-K400 PolarHBondContact O-N 3.27Å; L397-K400 WeakPolarHBondContact O-CB 3.35Å; L397-K400 PolarHBondContact O-N 2.94Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-K400 PolarHBondContact O-N 3.29Å; K400-L403 PolarHBondContact O-N 3.49Å; K400-A404 WeakPolarHBondContact O-CB 3.39Å; K400-A404 PolarHBondContact O-N 3.47Å |
| 401 | E | 80.9 | Confident | 78.3 | Confident | 135 Ų | 135 | 101 Ų | 101 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | -180 | -172.6 | 169.9 | -165.3 | 0 | 0 | 111.8 | L397 L398 A404 R405 | L397-E401 PolarHBondContact O-N 3.4Å; L398-E401 PolarHBondContact O-N 2.84Å; E401-A404 PolarHBondContact O-N 3.06Å; E401-R405 WeakPolarHBondContact O-CB 3.46Å; E401-R405 PolarHBondContact O-N 2.87Å |
| 402 | E | 79.4 | Confident | 77.6 | Confident | 87 Ų | 87 | 103.5 Ų | 103.5 | 41% | 0.407 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.4 | -179.5 | 54.3 | -151 | 0 | 0 | 112.1 | L398 A404 R405 Q406 | L398-E402 PolarHBondContact O-N 3.29Å; E402-A404 PolarHBondContact O-N 2.97Å; E402-R405 PolarHBondContact O-N 3.3Å; E402-R405 IonicContact OE2-NH1 2.74Å; E402-Q406 WeakPolarHBondContact O-CG 3.48Å; E402-Q406 PolarHBondContact O-N 3.03Å; E402-Q406 PolarHBondContact OE1-NE2 3.29Å |
| 403 | L | 76.1 | Confident | 76.9 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 172.6 | -78 | 169.1 | 0 | 0 | 0 | 112.8 | A399 K400 R405 Q406 A407 | A399-L403 WeakPolarHBondContact O-CB 3.32Å; A399-L403 WeakPolarHBondContact O-CG 3.36Å; A399-L403 PolarHBondContact O-N 2.94Å; A399-L403 VanDerWaalsContact O-N 3.12Å; K400-L403 PolarHBondContact O-N 3.49Å; L403-R405 VanDerWaalsContact C-N 3.35Å; L403-Q406 PolarHBondContact O-N 3.47Å; L403-A407 PolarHBondContact O-N 2.99Å |
| 404 | A | 75.1 | Confident | 75.4 | Confident | 61 Ų | 61 | 100.4 Ų | 100.4 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K400 E401 E402 A407 E408 | K400-A404 WeakPolarHBondContact O-CB 3.39Å; K400-A404 PolarHBondContact O-N 3.47Å; E401-A404 PolarHBondContact O-N 3.06Å; E402-A404 PolarHBondContact O-N 2.97Å; A404-A407 PolarHBondContact O-N 3.5Å; A404-E408 PolarHBondContact O-N 3.29Å |
| 405 | R | 78.3 | Confident | 74.4 | Confident | 173 Ų | 173 | 101.7 Ų | 101.7 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -38.1 | 176.4 | -168.8 | -178.3 | -177.9 | -158.9 | 1.7 | 112.7 | E401 E402 L403 E408 S409 | E401-R405 WeakPolarHBondContact O-CB 3.46Å; E401-R405 PolarHBondContact O-N 2.87Å; E402-R405 PolarHBondContact O-N 3.3Å; E402-R405 IonicContact OE2-NH1 2.74Å; L403-R405 VanDerWaalsContact C-N 3.35Å; R405-E408 PolarHBondContact O-N 2.81Å; R405-S409 PolarHBondContact O-N 3.15Å; R405-S409 VanDerWaalsContact O-N 3.16Å |
| 406 | Q | 75.1 | Confident | 73.3 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 173.2 | -71.6 | 173.6 | 19.4 | 0 | 0 | 111.4 | E402 L403 E408 S409 Q410 | E402-Q406 WeakPolarHBondContact O-CG 3.48Å; E402-Q406 PolarHBondContact O-N 3.03Å; E402-Q406 PolarHBondContact OE1-NE2 3.29Å; L403-Q406 PolarHBondContact O-N 3.47Å; Q406-E408 PolarHBondContact O-N 3.36Å; Q406-S409 PolarHBondContact O-N 3.44Å; Q406-S409 PolarHBondContact O-OG 2.98Å; Q406-Q410 PolarHBondContact O-N 3.06Å; Q406-Q410 VanDerWaalsContact O-N 3.16Å |
| 407 | A | 72.4 | Confident | 72.4 | Confident | 49 Ų | 49 | 107.5 Ų | 107.5 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L403 A404 S409 Q410 L411 | L403-A407 PolarHBondContact O-N 2.99Å; A404-A407 PolarHBondContact O-N 3.5Å; A407-S409 VanDerWaalsContact C-N 3.27Å; A407-S409 PolarHBondContact O-N 3.15Å; A407-Q410 PolarHBondContact O-N 3.28Å; A407-L411 PolarHBondContact O-N 3.03Å |
| 408 | E | 72.8 | Confident | 71.3 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -36 | 175.1 | -160.7 | -161.8 | 156.2 | 0 | 0 | 112.1 | A404 R405 Q406 K412 | A404-E408 PolarHBondContact O-N 3.29Å; R405-E408 PolarHBondContact O-N 2.81Å; Q406-E408 PolarHBondContact O-N 3.36Å; E408-K412 PolarHBondContact O-N 3.16Å; E408-K412 VanDerWaalsContact OE1-CE 3.31Å; E408-K412 WeakPolarHBondContact OE1-CE 3.19Å; E408-K412 IonicContact OE1-NZ 3.54Å; E408-K412 PolarHBondContact OE1-NZ 3.42Å |
| 409 | S | 72.6 | Confident | 70.5 | Confident | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 175.6 | 79.5 | 0 | 0 | 0 | 0 | 113 | R405 Q406 A407 T413 | R405-S409 PolarHBondContact O-N 3.15Å; R405-S409 VanDerWaalsContact O-N 3.16Å; Q406-S409 PolarHBondContact O-N 3.44Å; Q406-S409 PolarHBondContact O-OG 2.98Å; A407-S409 VanDerWaalsContact C-N 3.27Å; A407-S409 PolarHBondContact O-N 3.15Å; S409-T413 PolarHBondContact O-N 3.46Å; S409-T413 VanDerWaalsContact O-N 3.14Å; S409-T413 PolarHBondContact O-OG1 3.33Å |
| 410 | Q | 67.6 | Low | 69.7 | Low | 142 Ų | 142 | 107.7 Ų | 107.7 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.3 | -41.6 | 174.8 | -71.7 | -174 | -20.4 | 0 | 0 | 111.5 | Q406 A407 T413 Q414 | Q406-Q410 PolarHBondContact O-N 3.06Å; Q406-Q410 VanDerWaalsContact O-N 3.16Å; A407-Q410 PolarHBondContact O-N 3.28Å; Q410-T413 WeakPolarHBondContact O-CB 3.44Å; Q410-T413 PolarHBondContact O-N 3.44Å; Q410-Q414 PolarHBondContact O-N 3.13Å |
| 411 | L | 66.6 | Low | 68.7 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.6 | -50.6 | 174.9 | -99.7 | 161.1 | 0 | 0 | 0 | 112 | A407 T413 Q414 E415 | A407-L411 PolarHBondContact O-N 3.03Å; L411-T413 VanDerWaalsContact C-N 3.28Å; L411-T413 PolarHBondContact O-N 2.9Å; L411-Q414 WeakPolarHBondContact O-CB 3.38Å; L411-Q414 PolarHBondContact O-N 3.31Å; L411-Q414 VanDerWaalsContact O-N 3.11Å; L411-E415 WeakPolarHBondContact O-CB 3.46Å; L411-E415 PolarHBondContact O-N 3.34Å |
| 412 | K | 69.8 | Low | 67.9 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 47% | 0.47 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 177.9 | -70.6 | 172.4 | -173.6 | 169.6 | 0 | 112.9 | E408 E415 Q416 | E408-K412 PolarHBondContact O-N 3.16Å; E408-K412 VanDerWaalsContact OE1-CE 3.31Å; E408-K412 WeakPolarHBondContact OE1-CE 3.19Å; E408-K412 IonicContact OE1-NZ 3.54Å; E408-K412 PolarHBondContact OE1-NZ 3.42Å; K412-E415 PolarHBondContact O-N 3.02Å; K412-Q416 PolarHBondContact O-N 3.12Å |
| 413 | T | 68.1 | Low | 67.4 | Low | 81 Ų | 81 | 106 Ų | 106 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -39.1 | 175.2 | -50 | 0 | 0 | 0 | 0 | 111.4 | S409 Q410 L411 L417 | S409-T413 PolarHBondContact O-N 3.46Å; S409-T413 VanDerWaalsContact O-N 3.14Å; S409-T413 PolarHBondContact O-OG1 3.33Å; Q410-T413 WeakPolarHBondContact O-CB 3.44Å; Q410-T413 PolarHBondContact O-N 3.44Å; L411-T413 VanDerWaalsContact C-N 3.28Å; L411-T413 PolarHBondContact O-N 2.9Å; T413-L417 WeakPolarHBondContact O-CD1 3.34Å; T413-L417 PolarHBondContact O-N 3.41Å |
| 414 | Q | 56 | Low | 67 | Low | 139 Ų | 139 | 106.8 Ų | 106.8 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.9 | -35.2 | 176.2 | -167.9 | 173.8 | 38.2 | 0 | 0 | 112.3 | Q410 L411 L417 A418 | Q410-Q414 PolarHBondContact O-N 3.13Å; L411-Q414 WeakPolarHBondContact O-CB 3.38Å; L411-Q414 PolarHBondContact O-N 3.31Å; L411-Q414 VanDerWaalsContact O-N 3.11Å; Q414-L417 PolarHBondContact O-N 3.24Å; Q414-A418 PolarHBondContact O-N 3.34Å |
| 415 | E | 62.2 | Low | 66.4 | Low | 141 Ų | 141 | 107.2 Ų | 107.2 | 66% | 0.659 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.2 | -36 | 176.9 | -164 | 167.5 | -137.4 | 0 | 0 | 112.1 | L411 K412 A418 S419 | L411-E415 WeakPolarHBondContact O-CB 3.46Å; L411-E415 PolarHBondContact O-N 3.34Å; K412-E415 PolarHBondContact O-N 3.02Å; E415-A418 PolarHBondContact O-N 3.14Å; E415-S419 PolarHBondContact O-N 2.98Å |
| 416 | Q | 61.5 | Low | 65.9 | Low | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.8 | -44.2 | 172.1 | -71.8 | -172.2 | -76 | 0 | 0 | 112.8 | K412 A418 S419 E420 | K412-Q416 PolarHBondContact O-N 3.12Å; Q416-A418 VanDerWaalsContact C-N 3.25Å; Q416-A418 PolarHBondContact O-N 2.89Å; Q416-S419 WeakPolarHBondContact O-CB 3.35Å; Q416-S419 PolarHBondContact O-N 2.81Å; Q416-S419 VanDerWaalsContact O-N 3.07Å; Q416-E420 PolarHBondContact O-N 3.23Å |
| 417 | L | 60.7 | Low | 65.7 | Low | 107 Ų | 107 | 104.3 Ų | 104.3 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.7 | -34.9 | 175.7 | -94.6 | 78.7 | 0 | 0 | 0 | 112.4 | T413 Q414 S419 E420 L421 | T413-L417 WeakPolarHBondContact O-CD1 3.34Å; T413-L417 PolarHBondContact O-N 3.41Å; Q414-L417 PolarHBondContact O-N 3.24Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 2.97Å; L417-E420 PolarHBondContact O-N 3.27Å; L417-L421 PolarHBondContact O-N 3.4Å |
| 418 | A | 59.2 | Low | 65.1 | Low | 59 Ų | 59 | 106.7 Ų | 106.7 | 49% | 0.488 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -34.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q414 E415 Q416 A422 | Q414-A418 PolarHBondContact O-N 3.34Å; E415-A418 PolarHBondContact O-N 3.14Å; Q416-A418 VanDerWaalsContact C-N 3.25Å; Q416-A418 PolarHBondContact O-N 2.89Å; A418-A422 PolarHBondContact O-N 3Å; A418-A422 VanDerWaalsContact O-N 3.08Å |
| 419 | S | 66.6 | Low | 64.7 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 57% | 0.573 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.5 | -43 | 176.2 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | E415 Q416 L417 A422 E423 | E415-S419 PolarHBondContact O-N 2.98Å; Q416-S419 WeakPolarHBondContact O-CB 3.35Å; Q416-S419 PolarHBondContact O-N 2.81Å; Q416-S419 VanDerWaalsContact O-N 3.07Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 2.97Å; S419-A422 WeakPolarHBondContact O-CB 3.43Å; S419-A422 PolarHBondContact O-N 3.46Å; S419-E423 PolarHBondContact O-N 3Å; S419-E423 VanDerWaalsContact O-N 3.13Å |
| 420 | E | 63.4 | Low | 64.7 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 177.9 | -65.5 | -176.6 | 161.2 | 0 | 0 | 111.5 | Q416 L417 A422 E423 H424 | Q416-E420 PolarHBondContact O-N 3.23Å; L417-E420 PolarHBondContact O-N 3.27Å; E420-A422 VanDerWaalsContact C-N 3.32Å; E420-A422 PolarHBondContact O-N 3.34Å; E420-E423 PolarHBondContact O-N 3.08Å; E420-H424 PolarHBondContact O-CD2 2.94Å; E420-H424 VanDerWaalsContact O-CD2 3.27Å; E420-H424 PolarHBondContact O-N 3.29Å; E420-H424 VanDerWaalsContact O-N 3.12Å |
| 421 | L | 58 | Low | 64.4 | Low | 125 Ų | 125 | 107 Ų | 107 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.3 | -37.6 | 172.6 | -83.6 | 164.5 | 0 | 0 | 0 | 112.7 | L417 S425 | L417-L421 PolarHBondContact O-N 3.4Å; L421-S425 WeakPolarHBondContact O-CB 3.31Å; L421-S425 PolarHBondContact O-N 3.49Å |
| 422 | A | 64.7 | Low | 64.3 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A418 S419 E420 S425 A426 | A418-A422 PolarHBondContact O-N 3Å; A418-A422 VanDerWaalsContact O-N 3.08Å; S419-A422 WeakPolarHBondContact O-CB 3.43Å; S419-A422 PolarHBondContact O-N 3.46Å; E420-A422 VanDerWaalsContact C-N 3.32Å; E420-A422 PolarHBondContact O-N 3.34Å; A422-S425 WeakPolarHBondContact O-CB 3.05Å; A422-S425 PolarHBondContact O-N 2.84Å; A422-A426 PolarHBondContact O-N 3.2Å |
| 423 | E | 69 | Low | 64 | Low | 152 Ų | 152 | 105.2 Ų | 105.2 | 71% | 0.71 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.9 | -41.1 | 177.6 | -169.6 | 172.8 | -148.7 | 0 | 0 | 111.9 | S419 E420 A426 K427 | S419-E423 PolarHBondContact O-N 3Å; S419-E423 VanDerWaalsContact O-N 3.13Å; E420-E423 PolarHBondContact O-N 3.08Å; E423-A426 PolarHBondContact O-N 2.82Å; E423-K427 PolarHBondContact O-N 3.01Å |
| 424 | H | 66.8 | Low | 63.5 | Low | 128 Ų | 128 | 104.7 Ų | 104.7 | 59% | 0.593 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 171 | -79.5 | -65.6 | 0 | 0 | 0 | 112.6 | E420 K427 I428 | E420-H424 PolarHBondContact O-CD2 2.94Å; E420-H424 VanDerWaalsContact O-CD2 3.27Å; E420-H424 PolarHBondContact O-N 3.29Å; E420-H424 VanDerWaalsContact O-N 3.12Å; H424-K427 PolarHBondContact O-N 3.37Å; H424-I428 WeakPolarHBondContact O-CG1 2.94Å; H424-I428 PolarHBondContact O-N 3.19Å; H424-I428 VanDerWaalsContact O-N 3.12Å |
| 425 | S | 63.8 | Low | 63.5 | Low | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.5 | -44 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | L421 A422 K427 I428 A429 | L421-S425 WeakPolarHBondContact O-CB 3.31Å; L421-S425 PolarHBondContact O-N 3.49Å; A422-S425 WeakPolarHBondContact O-CB 3.05Å; A422-S425 PolarHBondContact O-N 2.84Å; S425-K427 VanDerWaalsContact C-N 3.26Å; S425-K427 PolarHBondContact O-N 3.24Å; S425-I428 WeakPolarHBondContact O-CB 3.47Å; S425-I428 PolarHBondContact O-N 3.27Å; S425-I428 VanDerWaalsContact O-N 3.13Å; S425-A429 PolarHBondContact O-N 3Å |
| 426 | A | 67.8 | Low | 63.4 | Low | 57 Ų | 57 | 103.6 Ų | 103.6 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.5 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A422 E423 A429 L430 | A422-A426 PolarHBondContact O-N 3.2Å; E423-A426 PolarHBondContact O-N 2.82Å; A426-A429 PolarHBondContact O-N 2.76Å; A426-L430 PolarHBondContact O-N 2.99Å |
| 427 | K | 69.3 | Low | 63.3 | Low | 150 Ų | 150 | 105.8 Ų | 105.8 | 65% | 0.652 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.6 | -32 | 176.6 | -160.7 | 169.1 | -171.3 | 168.5 | 0 | 112.9 | E423 H424 S425 | E423-K427 PolarHBondContact O-N 3.01Å; H424-K427 PolarHBondContact O-N 3.37Å; S425-K427 VanDerWaalsContact C-N 3.26Å; S425-K427 PolarHBondContact O-N 3.24Å |
| 428 | I | 60.9 | Low | 63 | Low | 99 Ų | 99 | 107.8 Ų | 107.8 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.8 | -45.9 | 170.2 | -66.8 | 166.1 | 0 | 0 | 0 | 109.9 | H424 S425 L430 L431 E432 | H424-I428 WeakPolarHBondContact O-CG1 2.94Å; H424-I428 PolarHBondContact O-N 3.19Å; H424-I428 VanDerWaalsContact O-N 3.12Å; S425-I428 WeakPolarHBondContact O-CB 3.47Å; S425-I428 PolarHBondContact O-N 3.27Å; S425-I428 VanDerWaalsContact O-N 3.13Å; I428-L430 VanDerWaalsContact C-N 3.29Å; I428-L430 PolarHBondContact O-N 3.24Å; I428-L431 WeakPolarHBondContact O-CB 3.42Å; I428-L431 PolarHBondContact O-N 3.27Å; I428-E432 HydrophobicContact CG2-CG 4.04Å; I428-E432 PolarHBondContact O-N 3.28Å |
| 429 | A | 64.9 | Low | 62.9 | Low | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.7 | -36.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S425 A426 E432 E433 | S425-A429 PolarHBondContact O-N 3Å; A426-A429 PolarHBondContact O-N 2.76Å; A429-E432 CarbonylContact O-C 3.47Å; A429-E432 PolarHBondContact O-N 2.84Å; A429-E433 PolarHBondContact O-N 2.71Å |
| 430 | L | 71.6 | Confident | 62.4 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.7 | -36.8 | 174.8 | -79.2 | 166.6 | 0 | 0 | 0 | 113.4 | A426 I428 A434 | A426-L430 PolarHBondContact O-N 2.99Å; I428-L430 VanDerWaalsContact C-N 3.29Å; I428-L430 PolarHBondContact O-N 3.24Å; L430-A434 PolarHBondContact O-N 2.97Å |
| 431 | L | 61.4 | Low | 61.9 | Low | 130 Ų | 130 | 110.8 Ų | 110.8 | 68% | 0.681 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -72.2 | -37 | 173.6 | -66 | 170.7 | 0 | 0 | 0 | 110.7 | I428 A434 R435 | I428-L431 WeakPolarHBondContact O-CB 3.42Å; I428-L431 PolarHBondContact O-N 3.27Å; L431-A434 PolarHBondContact O-N 2.95Å; L431-R435 PolarHBondContact O-N 2.91Å |
| 432 | E | 63.7 | Low | 61.6 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 45% | 0.453 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.1 | -30.3 | 174.2 | -70.3 | -149.4 | 125.3 | 0 | 0 | 113.1 | I428 A429 R435 R436 | I428-E432 HydrophobicContact CG2-CG 4.04Å; I428-E432 PolarHBondContact O-N 3.28Å; A429-E432 CarbonylContact O-C 3.47Å; A429-E432 PolarHBondContact O-N 2.84Å; E432-R435 CarbonylContact O-C 3.38Å; E432-R435 WeakPolarHBondContact O-CA 3.22Å; E432-R435 WeakPolarHBondContact O-CB 3.47Å; E432-R435 PolarHBondContact O-N 3.46Å; E432-R435 VanDerWaalsContact O-N 3.15Å; E432-R435 IonicContact OE1-NH1 3.12Å; E432-R435 PolarHBondContact OE1-NH1 2.88Å; E432-R435 VanDerWaalsContact OE1-NH1 3.12Å; E432-R436 WeakPolarHBondContact O-CB 3.41Å; E432-R436 PolarHBondContact O-N 3.25Å |
| 433 | E | 63.5 | Low | 61.1 | Low | 86 Ų | 86 | 114.4 Ų | 114.4 | 40% | 0.402 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.6 | -35.4 | 173.8 | -160.2 | -167.2 | 138.8 | 0 | 0 | 111.6 | A429 R435 R436 R437 | A429-E433 PolarHBondContact O-N 2.71Å; E433-R435 PolarHBondContact O-N 2.89Å; E433-R436 PolarHBondContact O-N 3.41Å; E433-R437 PolarHBondContact O-N 3.24Å; E433-R437 IonicContact OE1-CZ 3.72Å; E433-R437 IonicContact OE1-NE 3.78Å; E433-R437 PolarHBondContact OE1-NE 3Å; E433-R437 IonicContact OE1-NH2 3.84Å; E433-R437 PolarHBondContact OE1-NH2 2.86Å |
| 434 | A | 58.5 | Low | 60.6 | Low | 70 Ų | 70 | 114 Ų | 114 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.6 | -32.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L430 L431 | L430-A434 PolarHBondContact O-N 2.97Å; L431-A434 PolarHBondContact O-N 2.95Å |
| 435 | R | 56.9 | Low | 59.9 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 46% | 0.464 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.7 | -26.8 | 169.5 | 176.5 | -179.7 | 164.8 | -135.5 | -10.5 | 113.1 | L431 E432 E433 K438 E439 | L431-R435 PolarHBondContact O-N 2.91Å; E432-R435 CarbonylContact O-C 3.38Å; E432-R435 WeakPolarHBondContact O-CA 3.22Å; E432-R435 WeakPolarHBondContact O-CB 3.47Å; E432-R435 PolarHBondContact O-N 3.46Å; E432-R435 VanDerWaalsContact O-N 3.15Å; E432-R435 IonicContact OE1-NH1 3.12Å; E432-R435 PolarHBondContact OE1-NH1 2.88Å; E432-R435 VanDerWaalsContact OE1-NH1 3.12Å; E433-R435 PolarHBondContact O-N 2.89Å; R435-K438 CarbonylContact O-C 3.41Å; R435-K438 VanDerWaalsContact O-C 3.3Å; R435-K438 VanDerWaalsContact O-CA 3.25Å; R435-K438 WeakPolarHBondContact O-CA 3.46Å; R435-K438 WeakPolarHBondContact O-CB 3.48Å; R435-K438 PolarHBondContact O-N 2.78Å; R435-E439 HydrophobicContact CG-CG 4.31Å; R435-E439 IonicContact CZ-OE1 2.73Å; R435-E439 IonicContact CZ-OE2 3.56Å; R435-E439 IonicContact NE-OE1 3.21Å; R435-E439 PolarHBondContact NE-OE1 2.78Å; R435-E439 IonicContact NE-OE2 2.81Å; R435-E439 IonicContact NH2-OE1 3.63Å; R435-E439 PolarHBondContact NH2-OE1 2.82Å; R435-E439 IonicContact NH2-OE2 3.24Å; R435-E439 PolarHBondContact NH2-OE2 2.75Å; R435-E439 VanDerWaalsContact NH2-OE2 3.17Å; R435-E439 PolarHBondContact O-N 2.93Å |
| 436 | R | 59 | Low | 58.9 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 50% | 0.502 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.7 | -30.9 | -179.6 | -143.8 | -178 | 90.1 | -176.2 | 17.5 | 111.1 | E432 E433 K438 E439 E440 | E432-R436 WeakPolarHBondContact O-CB 3.41Å; E432-R436 PolarHBondContact O-N 3.25Å; E433-R436 PolarHBondContact O-N 3.41Å; R436-K438 PolarHBondContact O-N 3.19Å; R436-K438 VanDerWaalsContact O-N 3.14Å; R436-E439 CarbonylContact O-C 3.33Å; R436-E439 PolarHBondContact O-N 3.48Å; R436-E440 HydrophobicContact CG-CG 4.21Å; R436-E440 IonicContact CZ-OE1 2.67Å; R436-E440 IonicContact CZ-OE2 3.17Å; R436-E440 IonicContact NE-OE1 2.61Å; R436-E440 PolarHBondContact NE-OE1 2.85Å; R436-E440 IonicContact NE-OE2 3.18Å; R436-E440 PolarHBondContact NE-OE2 2.93Å; R436-E440 VanDerWaalsContact NH2-CD 3.29Å; R436-E440 IonicContact NH2-OE1 2.79Å; R436-E440 PolarHBondContact NH2-OE1 3.23Å; R436-E440 IonicContact NH2-OE2 3.51Å; R436-E440 PolarHBondContact NH2-OE2 2.75Å; R436-E440 PolarHBondContact O-N 2.89Å |
| 437 | R | 59.4 | Low | 57.6 | Low | 183 Ų | 183 | 126.6 Ų | 126.6 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -8.7 | 163 | -64.6 | -177.6 | -169.9 | -161.5 | 3.5 | 113.8 | E433 | E433-R437 PolarHBondContact O-N 3.24Å; E433-R437 IonicContact OE1-CZ 3.72Å; E433-R437 IonicContact OE1-NE 3.78Å; E433-R437 PolarHBondContact OE1-NE 3Å; E433-R437 IonicContact OE1-NH2 3.84Å; E433-R437 PolarHBondContact OE1-NH2 2.86Å |
| 438 | K | 53.6 | Low | 56.4 | Low | 150 Ų | 150 | 131.7 Ų | 131.7 | 65% | 0.652 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -4.8 | 168.3 | -71.5 | -73.3 | -169.2 | 179.1 | 0 | 114 | R435 R436 | R435-K438 CarbonylContact O-C 3.41Å; R435-K438 VanDerWaalsContact O-C 3.3Å; R435-K438 VanDerWaalsContact O-CA 3.25Å; R435-K438 WeakPolarHBondContact O-CA 3.46Å; R435-K438 WeakPolarHBondContact O-CB 3.48Å; R435-K438 PolarHBondContact O-N 2.78Å; R436-K438 PolarHBondContact O-N 3.19Å; R436-K438 VanDerWaalsContact O-N 3.14Å |
| 439 | E | 57.1 | Low | 54.9 | Low | 77 Ų | 77 | 132 Ų | 132 | 36% | 0.36 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.6 | -13.5 | -174.6 | -75.3 | -174 | 178.2 | 0 | 0 | 114.2 | R435 R436 A442 R443 | R435-E439 HydrophobicContact CG-CG 4.31Å; R435-E439 IonicContact CZ-OE1 2.73Å; R435-E439 IonicContact CZ-OE2 3.56Å; R435-E439 IonicContact NE-OE1 3.21Å; R435-E439 PolarHBondContact NE-OE1 2.78Å; R435-E439 IonicContact NE-OE2 2.81Å; R435-E439 IonicContact NH2-OE1 3.63Å; R435-E439 PolarHBondContact NH2-OE1 2.82Å; R435-E439 IonicContact NH2-OE2 3.24Å; R435-E439 PolarHBondContact NH2-OE2 2.75Å; R435-E439 VanDerWaalsContact NH2-OE2 3.17Å; R435-E439 PolarHBondContact O-N 2.93Å; R436-E439 CarbonylContact O-C 3.33Å; R436-E439 PolarHBondContact O-N 3.48Å; E439-A442 CarbonylContact O-C 3.58Å; E439-A442 VanDerWaalsContact O-C 3.24Å; E439-A442 VanDerWaalsContact O-CA 3.22Å; E439-A442 WeakPolarHBondContact O-CA 3.26Å; E439-A442 WeakPolarHBondContact O-CB 3.48Å; E439-A442 PolarHBondContact O-N 2.79Å; E439-R443 VanDerWaalsContact O-CB 3.31Å; E439-R443 WeakPolarHBondContact O-CB 3.34Å; E439-R443 PolarHBondContact O-N 3.31Å; E439-R443 VanDerWaalsContact O-N 3.14Å |
| 440 | E | 56.5 | Low | 52.9 | Low | 108 Ų | 108 | 136.4 Ų | 136.4 | 51% | 0.505 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -8.2 | 158.8 | -80.5 | 170.6 | 137.6 | 0 | 0 | 111.8 | R436 A442 | R436-E440 HydrophobicContact CG-CG 4.21Å; R436-E440 IonicContact CZ-OE1 2.67Å; R436-E440 IonicContact CZ-OE2 3.17Å; R436-E440 IonicContact NE-OE1 2.61Å; R436-E440 PolarHBondContact NE-OE1 2.85Å; R436-E440 IonicContact NE-OE2 3.18Å; R436-E440 PolarHBondContact NE-OE2 2.93Å; R436-E440 VanDerWaalsContact NH2-CD 3.29Å; R436-E440 IonicContact NH2-OE1 2.79Å; R436-E440 PolarHBondContact NH2-OE1 3.23Å; R436-E440 IonicContact NH2-OE2 3.51Å; R436-E440 PolarHBondContact NH2-OE2 2.75Å; R436-E440 PolarHBondContact O-N 2.89Å; E440-A442 PolarHBondContact O-N 2.56Å |
| 441 | E | 52.8 | Low | 50.9 | Low | 146 Ų | 146 | 139.2 Ų | 139.2 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -10.1 | 149 | -62.4 | -172.1 | 105.3 | 0 | 0 | 111.9 | ||
| 442 | A | 52.8 | Low | 48.8 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -143.6 | 10.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 118 | E439 E440 | E439-A442 CarbonylContact O-C 3.58Å; E439-A442 VanDerWaalsContact O-C 3.24Å; E439-A442 VanDerWaalsContact O-CA 3.22Å; E439-A442 WeakPolarHBondContact O-CA 3.26Å; E439-A442 WeakPolarHBondContact O-CB 3.48Å; E439-A442 PolarHBondContact O-N 2.79Å; E440-A442 PolarHBondContact O-N 2.56Å |
| 443 | R | 53.8 | Low | 46.5 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | trans | -145.1 | 52.2 | -164.8 | -145.5 | -149.8 | -168.2 | -131.3 | -0.7 | 122.6 | E439 W445 | E439-R443 VanDerWaalsContact O-CB 3.31Å; E439-R443 WeakPolarHBondContact O-CB 3.34Å; E439-R443 PolarHBondContact O-N 3.31Å; E439-R443 VanDerWaalsContact O-N 3.14Å; R443-W445 VanDerWaalsContact O-CD1 3.24Å | ||
| 444 | T | 59.1 | Low | 44.4 | Very low | 143 Ų | 143 | 148 Ų | 148 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -77.6 | 0 | -170.9 | 12.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 445 | W | 51.8 | Low | 42.6 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 75% | 0.746 | 75% | 0.749 | S | S | * | * | 0 | 0 | 0 | -49.4 | 106.8 | 0 | 0 | 0 | 133.5 | R443 | R443-W445 VanDerWaalsContact O-CD1 3.24Š| |||
| 446 | Q | 41.9 | Very low | 40.9 | Very low | 163 Ų | 163 | 154 Ų | 154 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | -16.4 | 79.7 | -20.6 | 0 | 0 | 133.8 | |||||
| 447 | N | 40.4 | Very low | 39.4 | Very low | 162 Ų | 162 | 154.3 Ų | 154.3 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | 0 | 0 | 0 | -88.4 | -50.8 | 0 | 0 | 0 | 133.7 | |||||
| 448 | R | 45.6 | Very low | 38.2 | Very low | 257 Ų | 257 | 154.8 Ų | 154.8 | 97% | 0.97 | 79% | 0.791 | S | S | * | * | 0 | 0 | 0 | -100 | 141.5 | -178.3 | 70.6 | 5.8 | 133.4 | |||||
| 449 | A | 29.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 131 | |||||
| 450 | V | 22.1 | Very low | 37 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | 0 | 0 | 0 | -85.3 | 0 | 0 | 0 | 0 | 131.9 | |||||
| 451 | E | 29.4 | Very low | 36.8 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | 0 | 0 | 0 | -35.7 | 74.4 | 24.7 | 0 | 0 | 132.5 | |||||
| 452 | A | 16.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 162.4 Ų | 162.4 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 133.6 | |||||
| 453 | Q | 16.9 | Very low | 37 | Very low | 214 Ų | 214 | 165.3 Ų | 165.3 | 100% | 1 | 84% | 0.838 | S | S | * | * | 0 | 0 | 0 | -68.7 | -169 | -118.6 | 0 | 0 | 135.1 | |||||
| 454 | D | 19.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 165 Ų | 165 | 94% | 0.941 | 84% | 0.844 | S | S | * | * | 0 | 0 | 0 | -157.9 | 12.4 | 0 | 0 | 0 | 132.1 | |||||
| 455 | D | 19.4 | Very low | 36.9 | Very low | 158 Ų | 158 | 166.3 Ų | 166.3 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | 0 | 0 | 0 | -157.1 | 60 | 0 | 0 | 0 | 134.2 | |||||
| 456 | L | 21.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 163.5 Ų | 163.5 | 84% | 0.843 | 85% | 0.847 | S | S | * | * | 0 | 0 | 0 | -136.1 | 70.4 | 0 | 0 | 0 | 130.5 | |||||
| 457 | T | 27.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 163.8 Ų | 163.8 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | 0 | 0 | 0 | -44.5 | 0 | 0 | 0 | 0 | 128.1 | |||||
| 458 | K | 34.7 | Very low | 37.2 | Very low | 193 Ų | 193 | 163.3 Ų | 163.3 | 84% | 0.839 | 86% | 0.855 | S | S | * | * | 0 | 0 | 0 | -138.7 | 175.6 | 164.3 | -79.8 | 0 | 129.6 | |||||
| 459 | T | 39.9 | Very low | 36.8 | Very low | 120 Ų | 120 | 156.5 Ų | 156.5 | 74% | 0.736 | 85% | 0.854 | S | S | * | * | 0 | 0 | 0 | -47.4 | 0 | 0 | 0 | 0 | 125 | |||||
| 460 | K | 45.9 | Very low | 37.5 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 78% | 0.778 | 86% | 0.856 | S | S | * | * | 0 | 0 | 0 | -146.7 | 178.6 | -178.5 | -137 | 0 | 126.1 | |||||
| 461 | E | 50.7 | Low | 38 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 75% | 0.748 | 86% | 0.857 | S | S | * | * | 0 | 0 | 0 | -150.8 | 74.7 | -69.4 | 0 | 0 | 128.8 | |||||
| 462 | E | 55.4 | Low | 38.7 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | 0 | 0 | 0 | -149.5 | -169.6 | -157 | 0 | 0 | 129.4 | |||||
| 463 | L | 56.1 | Low | 40.1 | Very low | 145 Ų | 145 | 156.6 Ų | 156.6 | 76% | 0.759 | 85% | 0.845 | S | S | * | * | 0 | 0 | 0 | -129.8 | 178.9 | 0 | 0 | 0 | 125 | |||||
| 464 | H | 56.2 | Low | 41.3 | Very low | 169 Ų | 169 | 152 Ų | 152 | 78% | 0.782 | 84% | 0.835 | S | S | * | * | 0 | 0 | 0 | -157.4 | 54.6 | 0 | 0 | 0 | 125.9 | |||||
| 465 | M | 54.3 | Low | 42.2 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 85% | 0.847 | 83% | 0.827 | S | S | * | * | 0 | 0 | 0 | -149.6 | 173 | 67.7 | 0 | 0 | 129.2 | |||||
| 466 | V | 50.5 | Low | 43.4 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | 0 | 0 | 0 | 139.2 | 0 | 0 | 0 | 0 | 129.3 | |||||
| 467 | L | 46.1 | Very low | 44.2 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | 0 | 0 | 0 | -96.4 | 171.6 | 0 | 0 | 0 | 129 | |||||
| 468 | T | 42.8 | Very low | 44.5 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 93% | 0.933 | 82% | 0.822 | S | S | * | * | 0 | 0 | 0 | 63.5 | 0 | 0 | 0 | 0 | 133.2 | |||||
| 469 | A | 36.9 | Very low | 44.2 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 133.6 | |||||
| 470 | P | 45.3 | Very low | 43.5 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | 0 | 0 | 0 | 46.5 | -25.4 | 0 | 0 | 0 | 134.6 | |||||
| 471 | L | 31.7 | Very low | 42.9 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | 0 | 0 | 0 | -133.4 | -175.5 | 0 | 0 | 0 | 130.3 | |||||
| 472 | P | 44.1 | Very low | 41.8 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 0 | 0 | 0 | 41.8 | -25.2 | 0 | 0 | 0 | 124.1 | |||||
| 473 | P | 47 | Very low | 40.5 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | 44.5 | -30.8 | 0 | 0 | 0 | 117.5 | |||||
| 474 | P | 40.8 | Very low | 39.2 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | 0 | 0 | 0 | 36.1 | -8.7 | 0 | 0 | 0 | 115.7 | |||||
| 475 | P | 40.3 | Very low | 37.9 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | 0 | 0 | 0 | 26.4 | 4 | 0 | 0 | 0 | 127.1 | |||||
| 476 | P | 43.7 | Very low | 36.8 | Very low | 114 Ų | 114 | 111 Ų | 111 | 74% | 0.74 | 66% | 0.659 | S | S | * | * | 0 | 0 | 0 | 42.1 | -21 | 0 | 0 | 0 | 119.6 | |||||
| 477 | P | 37.5 | Very low | 35.8 | Very low | 135 Ų | 135 | 105.4 Ų | 105.4 | 88% | 0.877 | 63% | 0.625 | S | S | * | * | 0 | -143.3 | 0 | 46.7 | -20 | 0 | 0 | 0 | 120.9 | |||||
| 478 | A | 34.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 97.7 Ų | 97.7 | 81% | 0.81 | 59% | 0.585 | S | S | * | * | trans | -155.5 | 168.1 | -177 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 479 | Y | 27.8 | Very low | 34.9 | Very low | 206 Ų | 206 | 91.9 Ų | 91.9 | 81% | 0.808 | 55% | 0.547 | S | S | * | . | trans | 93.2 | -150.8 | 168.6 | -82.3 | -73.1 | 0 | 0 | 0 | 122.7 | K329 | K329-Y479 WeakPolarHBondContact CE-O 3.28Å; K329-Y479 PolarHBondContact NZ-O 2.97Å | ||
| 480 | N | 26.9 | Very low | 35.1 | Very low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | trans | -166.5 | 174.5 | -135.5 | -93.2 | -35.6 | 0 | 0 | 0 | 114 | K329 | K329-N480 WeakPolarHBondContact CD-OD1 3.28Å; K329-N480 WeakPolarHBondContact CE-OD1 3.36Å; K329-N480 PolarHBondContact NZ-OD1 2.95Å | ||
| 481 | H | 31.9 | Very low | 35.2 | Very low | 99 Ų | 99 | 80 Ų | 80 | 46% | 0.458 | 46% | 0.46 | S | S | . | . | cis | -163 | -177.3 | 9.5 | -115 | 2.3 | 0 | 0 | 0 | 109.6 | ||||
| 482 | R | 28.3 | Very low | 36 | Very low | 32 Ų | 32 | 71.8 Ų | 71.8 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | cis | 176.3 | 60.2 | -36.7 | 175.6 | -126 | 177.3 | 101.7 | 3 | 114.4 | A321 H322 N325 E326 | A321-R482 CarbonylContact C-O 3.53Å; A321-R482 VanDerWaalsContact C-O 3.26Å; A321-R482 CarbonylContact O-C 3.3Å; H322-R482 WeakPolarHBondContact CA-O 3.43Å; H322-R482 VanDerWaalsContact CD2-CD 3.49Å; H322-R482 WeakPolarHBondContact CD2-CD 3.39Å; H322-R482 PolarHBondContact CD2-NE 2.9Å; H322-R482 VanDerWaalsContact CG-CD 3.45Å; H322-R482 PolarHBondContact N-O 3.24Å; H322-R482 PolarHBondContact ND1-O 2.81Å; H322-R482 PolarHBondContact O-NE 2.79Å; H322-R482 PolarHBondContact O-NH2 3.46Å; N325-R482 HydrophobicContact CB-CB 3.84Å; N325-R482 HydrophobicContact CB-CG 3.72Å; N325-R482 WeakPolarHBondContact ND2-CA 3.35Å; E326-R482 IonicContact OE2-CZ 3.33Å; E326-R482 IonicContact OE2-NH1 3.44Å; E326-R482 PolarHBondContact OE2-NH1 2.89Å; E326-R482 IonicContact OE2-NH2 3.39Å; E326-R482 PolarHBondContact OE2-NH2 3.22Å | ||
| 483 | D | 27.7 | Very low | 35.5 | Very low | 79 Ų | 79 | 66.6 Ų | 66.6 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | trans | -149.1 | 133.3 | -163.4 | -52.5 | -84.2 | 0 | 0 | 0 | 117.9 | K318 H322 | K318-D483 HydrophobicContact CG-CB 4.48Å; H322-D483 IonicContact CE1-OD1 3.32Å; H322-D483 PolarHBondContact CE1-OD1 2.97Å; H322-D483 IonicContact ND1-OD1 3.32Å; H322-D483 PolarHBondContact ND1-OD1 2.73Å | ||
| 484 | D | 28.6 | Very low | 34.8 | Very low | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | trans | -178.1 | -179 | 176.9 | -78.6 | 118 | 0 | 0 | 0 | 105.7 | K316 Q317 K318 E319 R320 A321 | K316-D484 CarbonylContact O-C 3.6Å; K316-D484 VanDerWaalsContact O-C 3.28Å; Q317-D484 VanDerWaalsContact C-C 3.43Å; Q317-D484 CarbonylContact C-O 3.5Å; Q317-D484 VanDerWaalsContact C-O 3.3Å; Q317-D484 CarbonylContact O-C 3.38Å; Q317-D484 WeakPolarHBondContact O-CA 3.07Å; Q317-D484 PolarHBondContact O-N 3.49Å; K318-D484 PolarHBondContact N-O 3.24Å; E319-D484 CarbonylContact C-O 3.49Å; E319-D484 PolarHBondContact N-O 2.74Å; R320-D484 CarbonylContact C-O 3.32Å; R320-D484 WeakPolarHBondContact CA-O 3.5Å; R320-D484 PolarHBondContact N-O 2.7Å; A321-D484 HydrophobicContact CB-CB 3.45Å; A321-D484 VanDerWaalsContact CB-CB 3.45Å; A321-D484 WeakPolarHBondContact CB-OD1 3.44Å; A321-D484 PolarHBondContact N-O 3.19Å | ||
| 485 | N | 28.6 | Very low | 34.9 | Very low | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | cis | -146.7 | 129.2 | -45.7 | -81 | -20.7 | 0 | 0 | 0 | 112.8 | L183 K316 Q317 | L183-N485 HydrophobicContact CD1-CB 4.32Å; L183-N485 WeakPolarHBondContact CD1-O 3.44Å; K316-N485 CarbonylContact O-C 3.59Å; K316-N485 WeakPolarHBondContact O-CA 3.42Å; K316-N485 PolarHBondContact O-N 3.16Å; Q317-N485 HydrophobicContact CG-CB 4.49Å; Q317-N485 PolarHBondContact NE2-OD1 3.13Å; Q317-N485 VanDerWaalsContact NE2-OD1 3.09Å; Q317-N485 PolarHBondContact OE1-OD1 3.34Å | ||
| 486 | S | 31.4 | Very low | 34.6 | Very low | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | trans | 91.6 | 109.4 | 132.8 | -101.9 | 0 | 0 | 0 | 0 | 125.9 | K313 K316 Q317 | K313-S486 WeakPolarHBondContact CE-OG 3.38Å; K313-S486 PolarHBondContact NZ-OG 3.13Å; K313-S486 PolarHBondContact O-N 2.98Å; K316-S486 VanDerWaalsContact C-N 3.26Å; K316-S486 VanDerWaalsContact CD-C 3.46Å; K316-S486 WeakPolarHBondContact CD-O 3.46Å; Q317-S486 PolarHBondContact NE2-OG 2.78Å | ||
| 487 | D | 29 | Very low | 34.9 | Very low | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | 75.1 | 156.7 | 109.3 | -121.8 | -3.7 | 0 | 0 | 0 | 120.4 | E96 A309 E312 K313 K316 | E96-D487 WeakPolarHBondContact CG-O 3.22Å; A309-D487 VanDerWaalsContact O-OD1 3.1Å; E312-D487 PolarHBondContact O-N 3.32Å; K313-D487 VanDerWaalsContact CA-N 3.3Å; K313-D487 HydrophobicContact CB-CB 4.02Å; K313-D487 VanDerWaalsContact CB-CG 3.4Å; K313-D487 WeakPolarHBondContact CB-OD1 3.47Å; K313-D487 HydrophobicContact CD-CB 4.4Å; K313-D487 WeakPolarHBondContact CD-OD2 3.31Å; K313-D487 WeakPolarHBondContact CE-OD2 3.43Å; K313-D487 HydrophobicContact CG-CB 3.77Å; K313-D487 WeakPolarHBondContact CG-OD2 3.38Å; K313-D487 PolarHBondContact N-OD1 3.12Å; K313-D487 IonicContact NZ-OD2 3.19Å; K313-D487 PolarHBondContact NZ-OD2 3.1Å; K316-D487 PolarHBondContact NZ-O 3.34Å | |||
| 488 | S | 35 | Very low | 34.9 | Very low | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | cis | -170.9 | 156.2 | 10.2 | -147.4 | 0 | 0 | 0 | 0 | 117 | Q95 E96 | Q95-S488 CarbonylContact C-O 3.41Å; Q95-S488 VanDerWaalsContact CA-O 3.26Å; Q95-S488 WeakPolarHBondContact CA-O 3.21Å; E96-S488 PolarHBondContact N-O 2.73Å; E96-S488 PolarHBondContact OE1-N 2.91Å | ||
| 489 | E | 36.5 | Very low | 35.6 | Very low | 30 Ų | 30 | 51.1 Ų | 51.1 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | trans | 56 | -172.5 | 140.3 | -78.6 | -165.3 | 179.6 | 0 | 0 | 120.2 | I94 Q95 K306 A309 | I94-E489 VanDerWaalsContact CA-CB 3.47Å; I94-E489 HydrophobicContact CB-CB 4.05Å; I94-E489 HydrophobicContact CG2-CB 3.63Å; I94-E489 HydrophobicContact CG2-CG 4.06Å; I94-E489 WeakPolarHBondContact CG2-OE2 3.37Å; I94-E489 WeakPolarHBondContact O-CB 3.29Å; Q95-E489 WeakPolarHBondContact CA-O 3.49Å; Q95-E489 VanDerWaalsContact CB-O 3.31Å; Q95-E489 WeakPolarHBondContact CB-O 3.34Å; Q95-E489 WeakPolarHBondContact CG-O 3.25Å; Q95-E489 PolarHBondContact NE2-O 2.99Å; K306-E489 WeakPolarHBondContact CG-OE1 3.45Å; A309-E489 HydrophobicContact CB-CB 3.78Å; A309-E489 HydrophobicContact CB-CG 3.09Å | ||
| 490 | D | 40.5 | Very low | 36.6 | Very low | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | trans | -146.9 | -127 | -178.1 | 62.4 | -138.2 | 0 | 0 | 0 | 123.1 | R40 I94 Q95 T98 M305 | R40-D490 HydrophobicContact CB-CB 3.95Å; R40-D490 WeakPolarHBondContact CD-OD1 3.4Å; R40-D490 HydrophobicContact CG-CB 4.13Å; R40-D490 IonicContact CZ-OD1 2.78Å; R40-D490 IonicContact NE-OD1 3.54Å; R40-D490 PolarHBondContact NE-OD1 3.19Å; R40-D490 IonicContact NH1-OD1 3.87Å; R40-D490 PolarHBondContact NH1-OD1 2.82Å; I94-D490 WeakPolarHBondContact CB-O 3.36Å; Q95-D490 VanDerWaalsContact CB-CA 3.48Å; Q95-D490 HydrophobicContact CB-CB 4.5Å; Q95-D490 HydrophobicContact CG-CB 4.48Å; Q95-D490 PolarHBondContact N-O 3.43Å; T98-D490 WeakPolarHBondContact CB-O 3.43Å; T98-D490 PolarHBondContact OG1-O 3.46Å; M305-D490 WeakPolarHBondContact CE-OD2 3.45Å; M305-D490 VanDerWaalsContact CG-OD1 3.3Å; M305-D490 WeakPolarHBondContact CG-OD1 3.47Å; M305-D490 WeakPolarHBondContact CG-OD2 3.48Å | ||
| 491 | N | 47.7 | Very low | 37.9 | Very low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | 51.3 | 146.1 | 169.1 | -60.8 | -57.4 | 0 | 0 | 0 | 126.7 | V39 E41 W43 I94 T98 M305 | V39-N491 VanDerWaalsContact CG1-O 3.25Å; V39-N491 WeakPolarHBondContact CG1-O 3.47Å; E41-N491 WeakPolarHBondContact CA-OD1 3.39Å; E41-N491 WeakPolarHBondContact CB-OD1 3.36Å; E41-N491 PolarHBondContact N-OD1 2.66Å; E41-N491 CarbonylContact O-C 3.51Å; E41-N491 VanDerWaalsContact O-C 3.24Å; E41-N491 WeakPolarHBondContact O-CA 3.36Å; E41-N491 VanDerWaalsContact O-CB 3.22Å; E41-N491 WeakPolarHBondContact O-CB 3.44Å; E41-N491 PolarHBondContact O-OD1 3.39Å; W43-N491 HydrophobicContact CH2-CB 4.18Å; W43-N491 HydrophobicContact CZ3-CB 4.33Å; I94-N491 HydrophobicContact CD1-CB 3.91Å; I94-N491 HydrophobicContact CG1-CB 4.5Å; T98-N491 PolarHBondContact OG1-O 2.7Å; M305-N491 WeakPolarHBondContact CE-OD1 3.49Å; M305-N491 PolarHBondContact SD-ND2 2.79Å; M305-N491 PolarHBondContact SD-OD1 2.84Å; M305-N491 VanDerWaalsContact SD-OD1 3.4Å | ||
| 492 | N | 47.3 | Very low | 38.7 | Very low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | 151.5 | 112.7 | 119.2 | -85.1 | -67.4 | 0 | 0 | 0 | 128.4 | E41 W43 Y44 F45 | E41-N492 WeakPolarHBondContact O-CA 3.17Å; E41-N492 PolarHBondContact O-N 2.91Å; W43-N492 VanDerWaalsContact C-OD1 3.23Å; W43-N492 VanDerWaalsContact CA-OD1 3.24Å; W43-N492 WeakPolarHBondContact CA-OD1 3.39Å; W43-N492 VanDerWaalsContact CD2-OD1 3.31Å; W43-N492 PolarHBondContact N-OD1 2.98Å; W43-N492 PolarHBondContact NE1-OD1 3.02Å; Y44-N492 HydrophobicContact CD2-CB 3.73Å; Y44-N492 WeakPolarHBondContact CD2-ND2 3.39Å; Y44-N492 WeakPolarHBondContact CD2-OD1 3.42Å; Y44-N492 WeakPolarHBondContact CE2-ND2 3.26Å; Y44-N492 HydrophobicContact CG-CB 3.91Å; Y44-N492 VanDerWaalsContact CG-CG 3.44Å; Y44-N492 PolarHBondContact N-OD1 3.02Å; F45-N492 WeakPolarHBondContact CA-O 3.37Å; F45-N492 VanDerWaalsContact CB-O 3.23Å; F45-N492 WeakPolarHBondContact CB-O 3.43Å; F45-N492 HydrophobicContact CD2-CB 3.68Å; F45-N492 WeakPolarHBondContact CD2-O 3.47Å; F45-N492 HydrophobicContact CE2-CB 3.95Å; F45-N492 PolarHBondContact N-O 2.97Å | |||
| 493 | S | 33.8 | Very low | 39.5 | Very low | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | 175 | 147.1 | 115.9 | -150.4 | 0 | 0 | 0 | 0 | 123.8 | F30 V42 W43 Y44 F45 | F30-S493 WeakPolarHBondContact CE1-O 3.26Å; V42-S493 VanDerWaalsContact CB-N 3.33Å; V42-S493 CarbonylContact O-C 3.54Å; V42-S493 VanDerWaalsContact O-CA 3.28Å; V42-S493 WeakPolarHBondContact O-CA 3.33Å; W43-S493 VanDerWaalsContact C-CA 3.45Å; Y44-S493 VanDerWaalsContact C-CB 3.45Å; Y44-S493 PolarHBondContact O-OG 2.78Å; Y44-S493 VanDerWaalsContact O-OG 3.04Å; F45-S493 PolarHBondContact N-OG 2.82Å; F45-S493 WeakPolarHBondContact O-CB 3.34Å; F45-S493 PolarHBondContact O-OG 3.21Å | |||
| 494 | T | 32.2 | Very low | 40.8 | Very low | 55 Ų | 55 | 49 Ų | 49 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | trans | -144.7 | -105.6 | 171.6 | -41.5 | 0 | 0 | 0 | 0 | 121.4 | V42 L61 | V42-T494 PolarHBondContact O-N 2.89Å; V42-T494 VanDerWaalsContact O-N 3.09Å; V42-T494 PolarHBondContact O-OG1 2.77Å; L61-T494 HydrophobicContact CD1-CG2 4.31Å | ||
| 495 | H | 43.3 | Very low | 41.9 | Very low | 111 Ų | 111 | 53.3 Ų | 53.3 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | -105.2 | -161.8 | -119.1 | -151.3 | -117.6 | 0 | 0 | 0 | 123.7 | T497 | H495-T497 PolarHBondContact ND1-OG1 2.8Š| |||
| 496 | S | 34.7 | Very low | 43.2 | Very low | 43 Ų | 43 | 54.9 Ų | 54.9 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | trans | -158.5 | 110.7 | 179.5 | 164.4 | 0 | 0 | 0 | 0 | 112.1 | M285 | M285-S496 PolarHBondContact SD-OG 2.91Š| ||
| 497 | T | 49.8 | Very low | 44.6 | Very low | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | trans | -148.6 | 154 | -152.6 | -39.3 | 0 | 0 | 0 | 0 | 114.5 | M285 D289 H495 | M285-T497 WeakPolarHBondContact CE-O 3.35Å; M285-T497 VanDerWaalsContact CG-O 3.3Å; M285-T497 WeakPolarHBondContact CG-O 3.49Å; M285-T497 PolarHBondContact SD-N 2.82Å; D289-T497 VanDerWaalsContact OD1-CB 3.24Å; D289-T497 WeakPolarHBondContact OD1-CB 3.36Å; D289-T497 PolarHBondContact OD1-OG1 3.27Å; D289-T497 WeakPolarHBondContact OD2-CB 3.2Å; D289-T497 PolarHBondContact OD2-OG1 2.83Å; H495-T497 PolarHBondContact ND1-OG1 2.8Å | ||
| 498 | D | 37.3 | Very low | 46.5 | Very low | 118 Ų | 118 | 62.7 Ų | 62.7 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | trans | -78.8 | 135.9 | 165.3 | -141.5 | -7.3 | 0 | 0 | 0 | 109.1 | N247 | N247-D498 PolarHBondContact ND2-OD1 2.77Š| ||
| 499 | L | 49.5 | Very low | 48.2 | Very low | 14 Ų | 14 | 69.6 Ų | 69.6 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | trans | -81.6 | 128.1 | -158.2 | -54.8 | -174.2 | 0 | 0 | 0 | 111.9 | I245 I248 M285 H288 I501 | I245-L499 HydrophobicContact CG2-CD1 4.03Å; I248-L499 HydrophobicContact CD1-CD1 3.81Å; I248-L499 HydrophobicContact CG1-CD1 3.87Å; M285-L499 HydrophobicContact CG-CD2 4.47Å; H288-L499 HydrophobicContact CB-CD1 4.18Å; H288-L499 HydrophobicContact CB-CD2 3.89Å; L499-I501 PolarHBondContact O-N 2.91Å | ||
| 500 | A | 48.9 | Very low | 49.8 | Very low | 45 Ų | 45 | 68.9 Ų | 68.9 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | trans | -79.6 | 108.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 501 | I | 53.1 | Low | 51.4 | Low | 88 Ų | 88 | 71.6 Ų | 71.6 | 45% | 0.451 | 37% | 0.365 | S | S | . | . | trans | -109.9 | 69.9 | 178.3 | -44.5 | 171.3 | 0 | 0 | 0 | 109.1 | R246 I260 L499 | R246-I501 HydrophobicContact CB-CD1 3.8Å; R246-I501 HydrophobicContact CG-CD1 3.82Å; I260-I501 HydrophobicContact CD1-CD1 4.33Å; I260-I501 HydrophobicContact CD1-CG2 4.33Å; I260-I501 HydrophobicContact CG1-CD1 4.45Å; L499-I501 PolarHBondContact O-N 2.91Å | ||
| 502 | D | 49.7 | Very low | 53.1 | Low | 93 Ų | 93 | 79.2 Ų | 79.2 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | trans | -72.8 | 177.4 | 163.2 | -54 | -57.9 | 0 | 0 | 0 | 110.4 | K296 F504 | K296-D502 IonicContact NZ-OD2 2.74Å; K296-D502 PolarHBondContact NZ-OD2 2.94Å; D502-F504 HydrophobicContact CB-CD2 4.47Å; D502-F504 HydrophobicContact CB-CE1 4.28Å; D502-F504 HydrophobicContact CB-CE2 3.71Å; D502-F504 HydrophobicContact CB-CZ 3.61Å; D502-F504 WeakPolarHBondContact O-CD2 3.3Å; D502-F504 VanDerWaalsContact O-CE2 3.31Å; D502-F504 WeakPolarHBondContact O-CE2 3.46Å | ||
| 503 | D | 45.4 | Very low | 55.1 | Low | 171 Ų | 171 | 80.4 Ų | 80.4 | 91% | 0.914 | 41% | 0.405 | S | S | * | . | trans | -84.1 | 114.1 | 178.7 | -156.5 | 24.8 | 0 | 0 | 0 | 110.2 | ||||
| 504 | F | 54.7 | Low | 57.9 | Low | 66 Ų | 66 | 84 Ų | 84 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | trans | -127.1 | 152.2 | -171.9 | -61.7 | -73.9 | 0 | 0 | 0 | 113.1 | M292 K296 D502 D506 | M292-F504 HydrophobicContact CE-CD2 3.64Å; M292-F504 HydrophobicContact CE-CE1 4.4Å; M292-F504 HydrophobicContact CE-CE2 3.12Å; M292-F504 HydrophobicContact CE-CG 4.46Å; M292-F504 HydrophobicContact CE-CZ 3.56Å; K296-F504 HydrophobicContact CD-CE1 4.32Å; K296-F504 VanDerWaalsContact CE-CE1 3.42Å; K296-F504 HydrophobicContact CG-CE1 3.84Å; K296-F504 HydrophobicContact CG-CZ 4.47Å; D502-F504 HydrophobicContact CB-CD2 4.47Å; D502-F504 HydrophobicContact CB-CE1 4.28Å; D502-F504 HydrophobicContact CB-CE2 3.71Å; D502-F504 HydrophobicContact CB-CZ 3.61Å; D502-F504 WeakPolarHBondContact O-CD2 3.3Å; D502-F504 VanDerWaalsContact O-CE2 3.31Å; D502-F504 WeakPolarHBondContact O-CE2 3.46Å; F504-D506 PolarHBondContact O-N 2.85Å | ||
| 505 | H | 50.8 | Low | 60.8 | Low | 156 Ų | 156 | 82 Ų | 82 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | trans | -76.3 | 106.6 | 155.5 | -81.8 | 9.8 | 0 | 0 | 0 | 109.6 | H507 | H505-H507 AromaticContact CD2-NE2 3.59Å; H505-H507 AromaticContact CG-NE2 3.98Å; H505-H507 PolarHBondContact O-N 2.8Å | ||
| 506 | D | 57.7 | Low | 63.2 | Low | 81 Ų | 81 | 77.4 Ų | 77.4 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | trans | -71.1 | 68.3 | 174 | -171.4 | 28.5 | 0 | 0 | 0 | 111.2 | F504 R508 | F504-D506 PolarHBondContact O-N 2.85Å; D506-R508 VanDerWaalsContact C-N 3.34Å; D506-R508 PolarHBondContact O-N 3.04Å; D506-R508 VanDerWaalsContact O-N 3.1Å; D506-R508 VanDerWaalsContact OD1-CG 3.3Å; D506-R508 WeakPolarHBondContact OD1-CG 3.48Å; D506-R508 IonicContact OD1-NE 3.94Å; D506-R508 WeakPolarHBondContact OD2-CG 3.49Å; D506-R508 IonicContact OD2-CZ 2.84Å; D506-R508 IonicContact OD2-NE 3.78Å; D506-R508 PolarHBondContact OD2-NE 2.75Å; D506-R508 IonicContact OD2-NH2 3.89Å | ||
| 507 | H | 59.2 | Low | 65.8 | Low | 120 Ų | 120 | 77.6 Ų | 77.6 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | trans | -76.6 | 88.2 | 167.5 | -64.3 | -53.2 | 0 | 0 | 0 | 108.7 | H505 K509 | H505-H507 AromaticContact CD2-NE2 3.59Å; H505-H507 AromaticContact CG-NE2 3.98Å; H505-H507 PolarHBondContact O-N 2.8Å; H507-K509 HydrophobicContact CB-CG 4.41Å; H507-K509 PolarHBondContact O-N 2.74Å | ||
| 508 | R | 70.1 | Confident | 67.8 | Low | 67 Ų | 67 | 78.7 Ų | 78.7 | 25% | 0.253 | 39% | 0.391 | S | S | . | . | trans | -69.4 | 58 | 178.5 | -59.8 | -171.8 | 176.9 | -157.5 | -4.3 | 113.4 | E244 D506 E510 E511 | E244-R508 IonicContact OE1-NH1 2.75Å; E244-R508 IonicContact OE1-NH2 3.62Å; D506-R508 VanDerWaalsContact C-N 3.34Å; D506-R508 PolarHBondContact O-N 3.04Å; D506-R508 VanDerWaalsContact O-N 3.1Å; D506-R508 VanDerWaalsContact OD1-CG 3.3Å; D506-R508 WeakPolarHBondContact OD1-CG 3.48Å; D506-R508 IonicContact OD1-NE 3.94Å; D506-R508 WeakPolarHBondContact OD2-CG 3.49Å; D506-R508 IonicContact OD2-CZ 2.84Å; D506-R508 IonicContact OD2-NE 3.78Å; D506-R508 PolarHBondContact OD2-NE 2.75Å; D506-R508 IonicContact OD2-NH2 3.89Å; R508-E510 VanDerWaalsContact C-OE2 3.26Å; R508-E510 WeakPolarHBondContact CA-OE2 3.29Å; R508-E510 PolarHBondContact O-N 2.93Å; R508-E511 HydrophobicContact CB-CB 4.38Å; R508-E511 HydrophobicContact CB-CG 4.05Å; R508-E511 VanDerWaalsContact CD-CD 3.42Å; R508-E511 VanDerWaalsContact CD-OE1 3.23Å; R508-E511 WeakPolarHBondContact CD-OE1 3.41Å; R508-E511 WeakPolarHBondContact CD-OE2 3.27Å; R508-E511 IonicContact CZ-OE1 3.13Å; R508-E511 IonicContact NE-OE1 2.71Å; R508-E511 IonicContact NH1-OE1 3.5Å; R508-E511 PolarHBondContact NH1-OE1 2.86Å; R508-E511 WeakPolarHBondContact O-CB 3.29Å; R508-E511 PolarHBondContact O-N 2.64Å | ||
| 509 | K | 69.7 | Low | 70.4 | Confident | 152 Ų | 152 | 77.8 Ų | 77.8 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.9 | -24.6 | -178.2 | -65.2 | 178.8 | -179.7 | -178.1 | 0 | 112.7 | H507 E511 E512 | H507-K509 HydrophobicContact CB-CG 4.41Å; H507-K509 PolarHBondContact O-N 2.74Å; K509-E511 PolarHBondContact O-N 3.36Å; K509-E512 PolarHBondContact O-N 3.1Å |
| 510 | E | 71.7 | Confident | 72.5 | Confident | 15 Ų | 15 | 79.1 Ų | 79.1 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.9 | -25.9 | 172.2 | 68.6 | -89.8 | -146.2 | 0 | 0 | 113.9 | L223 Y291 R295 R508 | L223-E510 HydrophobicContact CD2-CB 3.9Å; Y291-E510 WeakPolarHBondContact CE2-OE1 3.15Å; Y291-E510 PolarHBondContact OH-OE1 2.74Å; R295-E510 IonicContact CZ-OE2 2.75Å; R295-E510 IonicContact NE-OE2 2.66Å; R295-E510 VanDerWaalsContact NH2-CD 3.29Å; R295-E510 IonicContact NH2-OE1 2.81Å; R295-E510 IonicContact NH2-OE2 3.69Å; R295-E510 PolarHBondContact NH2-OE2 3.01Å; R508-E510 VanDerWaalsContact C-OE2 3.26Å; R508-E510 WeakPolarHBondContact CA-OE2 3.29Å; R508-E510 PolarHBondContact O-N 2.93Å |
| 511 | E | 73.9 | Confident | 74.6 | Confident | 63 Ų | 63 | 85 Ų | 85 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -79.9 | -22.4 | 177.7 | -65.3 | -177.4 | 175.4 | 0 | 0 | 112.2 | R508 K509 R565 | R508-E511 HydrophobicContact CB-CB 4.38Å; R508-E511 HydrophobicContact CB-CG 4.05Å; R508-E511 VanDerWaalsContact CD-CD 3.42Å; R508-E511 VanDerWaalsContact CD-OE1 3.23Å; R508-E511 WeakPolarHBondContact CD-OE1 3.41Å; R508-E511 WeakPolarHBondContact CD-OE2 3.27Å; R508-E511 IonicContact CZ-OE1 3.13Å; R508-E511 IonicContact NE-OE1 2.71Å; R508-E511 IonicContact NH1-OE1 3.5Å; R508-E511 PolarHBondContact NH1-OE1 2.86Å; R508-E511 WeakPolarHBondContact O-CB 3.29Å; R508-E511 PolarHBondContact O-N 2.64Å; K509-E511 PolarHBondContact O-N 3.36Å; E511-R565 WeakPolarHBondContact O-CD 3.29Å; E511-R565 WeakPolarHBondContact O-CG 3.43Å; E511-R565 PolarHBondContact O-NH1 2.69Å |
| 512 | E | 82.9 | Confident | 76.5 | Confident | 160 Ų | 160 | 85.9 Ų | 85.9 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -86.8 | -8.4 | 176.5 | -64 | -174.8 | 152.2 | 0 | 0 | 113.2 | K509 | K509-E512 PolarHBondContact O-N 3.1Å |
| 513 | R | 88.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | trans | -64.7 | 140.6 | -169 | -171.1 | 166.3 | 176.3 | -176.7 | 0.1 | 114.5 | E87 D88 Y561 R565 | E87-R513 VanDerWaalsContact C-NH1 3.33Å; E87-R513 VanDerWaalsContact O-CZ 3.27Å; E87-R513 PolarHBondContact O-NH1 3.37Å; E87-R513 PolarHBondContact O-NH2 3Å; D88-R513 VanDerWaalsContact CG-NH2 3.26Å; D88-R513 IonicContact OD1-NH2 3.04Å; D88-R513 IonicContact OD2-CZ 2.83Å; D88-R513 IonicContact OD2-NE 3.68Å; D88-R513 PolarHBondContact OD2-NE 3.3Å; D88-R513 IonicContact OD2-NH2 3.97Å; D88-R513 PolarHBondContact OD2-NH2 2.96Å; R513-Y561 HydrophobicContact CB-CD1 4.15Å; R513-Y561 HydrophobicContact CB-CG 4.17Å; R513-Y561 HydrophobicContact CG-CD1 4.09Å; R513-Y561 HydrophobicContact CG-CD2 4.07Å; R513-Y561 HydrophobicContact CG-CE1 4.08Å; R513-Y561 HydrophobicContact CG-CE2 4.04Å; R513-Y561 HydrophobicContact CG-CG 4.11Å; R513-Y561 PolarHBondContact NE-OH 3.42Å; R513-Y561 PolarHBondContact NH2-OH 3.13Å; R513-Y561 WeakPolarHBondContact O-CB 3.19Å; R513-R565 PolarHBondContact O-NH1 2.89Å; R513-R565 PolarHBondContact O-NH2 3.21Å | ||
| 514 | L | 92.2 | Very high | 80.9 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | trans | -112.1 | 155.6 | 172.6 | -58.5 | -179.2 | 0 | 0 | 0 | 110.2 | E518 K519 | L514-E518 HydrophobicContact CB-CB 4.11Å; L514-K519 HydrophobicContact CB-CG 4.32Å; L514-K519 WeakPolarHBondContact O-CE 3.49Å | ||
| 515 | T | 93.9 | Very high | 82.8 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 8% | 0.08 | 37% | 0.37 | C | S | . | . | trans | -70 | 155.9 | 172.3 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | D197 V517 E518 K519 D559 Y561 | D197-T515 HydrophobicContact CB-CG2 4.15Å; D197-T515 WeakPolarHBondContact OD2-CA 3.21Å; D197-T515 WeakPolarHBondContact OD2-CB 3.46Å; T515-V517 PolarHBondContact O-N 3.26Å; T515-E518 PolarHBondContact N-OE2 3.36Å; T515-E518 WeakPolarHBondContact O-CA 3.31Å; T515-E518 WeakPolarHBondContact O-CB 3.39Å; T515-E518 PolarHBondContact O-N 2.85Å; T515-E518 VanDerWaalsContact OG1-CG 3.26Å; T515-E518 WeakPolarHBondContact OG1-CG 3.36Å; T515-E518 PolarHBondContact OG1-N 3.06Å; T515-E518 PolarHBondContact OG1-OE2 2.61Å; T515-K519 WeakPolarHBondContact O-CG 3.39Å; T515-K519 PolarHBondContact O-N 3.15Å; T515-D559 HydrophobicContact CG2-CB 4.1Å; T515-Y561 HydrophobicContact CG2-CD2 3.78Å; T515-Y561 HydrophobicContact CG2-CE2 3.96Å | ||
| 516 | E | 92.6 | Very high | 84.9 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.5 | -35 | 169.8 | -169.9 | 59.9 | -155 | 0 | 0 | 110.6 | K193 I194 D197 E518 K519 N520 | K193-E516 HydrophobicContact CB-CG 4.2Å; I194-E516 HydrophobicContact CG1-CG 4.39Å; D197-E516 PolarHBondContact OD2-N 3.45Å; E516-E518 PolarHBondContact O-N 2.83Å; E516-K519 PolarHBondContact O-N 3.26Å; E516-N520 HydrophobicContact CG-CB 4.29Å; E516-N520 WeakPolarHBondContact O-CB 3.36Å; E516-N520 PolarHBondContact O-N 2.99Å; E516-N520 VanDerWaalsContact OE1-CB 3.25Å; E516-N520 WeakPolarHBondContact OE1-CB 3.24Å; E516-N520 PolarHBondContact OE1-ND2 3.15Å |
| 517 | V | 91 | Very high | 86.7 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -20.7 | 175 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | T515 V523 Q524 L527 | T515-V517 PolarHBondContact O-N 3.26Å; V517-V523 HydrophobicContact CG2-CG1 4.35Å; V517-Q524 HydrophobicContact CG1-CB 4.33Å; V517-Q524 HydrophobicContact CG1-CG 4.02Å; V517-Q524 WeakPolarHBondContact O-CB 3.47Å; V517-Q524 WeakPolarHBondContact O-CG 3.08Å; V517-Q524 PolarHBondContact O-NE2 3.34Å; V517-L527 HydrophobicContact CB-CD1 4.46Å; V517-L527 HydrophobicContact CG1-CD1 4.02Å; V517-L527 HydrophobicContact CG2-CD1 3.56Å |
| 518 | E | 91.3 | Very high | 88.4 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -95.5 | -34.5 | 171.8 | -71.8 | 167.2 | 121.1 | 0 | 0 | 112.9 | L514 T515 E516 K562 | L514-E518 HydrophobicContact CB-CB 4.11Å; T515-E518 PolarHBondContact N-OE2 3.36Å; T515-E518 WeakPolarHBondContact O-CA 3.31Å; T515-E518 WeakPolarHBondContact O-CB 3.39Å; T515-E518 PolarHBondContact O-N 2.85Å; T515-E518 VanDerWaalsContact OG1-CG 3.26Å; T515-E518 WeakPolarHBondContact OG1-CG 3.36Å; T515-E518 PolarHBondContact OG1-N 3.06Å; T515-E518 PolarHBondContact OG1-OE2 2.61Å; E516-E518 PolarHBondContact O-N 2.83Å; E518-K562 IonicContact OE1-NZ 3.89Å; E518-K562 PolarHBondContact OE1-NZ 3.1Å |
| 519 | K | 92.7 | Very high | 89.7 | Confident | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.3 | -35 | 177.1 | -66.6 | 172.3 | -177 | 176.6 | 0 | 112.6 | D88 L514 T515 E516 | D88-K519 IonicContact OD2-NZ 2.85Å; D88-K519 PolarHBondContact OD2-NZ 2.62Å; L514-K519 HydrophobicContact CB-CG 4.32Å; L514-K519 WeakPolarHBondContact O-CE 3.49Å; T515-K519 WeakPolarHBondContact O-CG 3.39Å; T515-K519 PolarHBondContact O-N 3.15Å; E516-K519 PolarHBondContact O-N 3.26Å |
| 520 | N | 92.6 | Very high | 90.9 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | trans | -123.6 | 100.5 | -160.6 | -172.1 | -25.9 | 0 | 0 | 0 | 111.7 | E516 R522 V523 Q524 | E516-N520 HydrophobicContact CG-CB 4.29Å; E516-N520 WeakPolarHBondContact O-CB 3.36Å; E516-N520 PolarHBondContact O-N 2.99Å; E516-N520 VanDerWaalsContact OE1-CB 3.25Å; E516-N520 WeakPolarHBondContact OE1-CB 3.24Å; E516-N520 PolarHBondContact OE1-ND2 3.15Å; N520-R522 PolarHBondContact O-N 3.07Å; N520-R522 WeakPolarHBondContact OD1-CB 3.31Å; N520-R522 PolarHBondContact OD1-N 2.97Å; N520-V523 HydrophobicContact CB-CB 4.23Å; N520-V523 HydrophobicContact CB-CG2 4.27Å; N520-V523 PolarHBondContact O-N 3.25Å; N520-V523 PolarHBondContact OD1-N 3.04Å; N520-Q524 PolarHBondContact O-N 2.78Å | ||
| 521 | E | 92.9 | Very high | 92 | Very high | 170 Ų | 170 | 64.9 Ų | 64.9 | 79% | 0.794 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.5 | -29.6 | -179.2 | -62.4 | -169.2 | 158.9 | 0 | 0 | 113.2 | K525 | E521-K525 WeakPolarHBondContact O-CB 3.48Å; E521-K525 PolarHBondContact O-N 3.04Å |
| 522 | R | 92.9 | Very high | 93 | Very high | 105 Ų | 105 | 65.6 Ų | 65.6 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -56 | 176.6 | -171 | -175.2 | -173.7 | -163.1 | 0.4 | 110.1 | E178 N520 Q524 K525 Q526 | E178-R522 PolarHBondContact O-NH2 3.29Å; E178-R522 IonicContact OE2-CZ 2.79Å; E178-R522 IonicContact OE2-NE 3.85Å; E178-R522 IonicContact OE2-NH2 3.55Å; E178-R522 PolarHBondContact OE2-NH2 3.23Å; N520-R522 PolarHBondContact O-N 3.07Å; N520-R522 WeakPolarHBondContact OD1-CB 3.31Å; N520-R522 PolarHBondContact OD1-N 2.97Å; R522-Q524 VanDerWaalsContact C-N 3.27Å; R522-Q524 PolarHBondContact O-N 3.34Å; R522-K525 WeakPolarHBondContact O-CB 3.37Å; R522-K525 PolarHBondContact O-N 2.87Å; R522-K525 VanDerWaalsContact O-N 3.08Å; R522-Q526 HydrophobicContact CG-CG 4.43Å; R522-Q526 VanDerWaalsContact O-CG 3.31Å; R522-Q526 WeakPolarHBondContact O-CG 3.22Å; R522-Q526 PolarHBondContact O-N 2.87Å |
| 523 | V | 93 | Very high | 93.6 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -42 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L124 I194 V517 N520 K525 Q526 L527 | L124-V523 HydrophobicContact CD2-CG1 4.24Å; I194-V523 HydrophobicContact CD1-CG1 3.94Å; I194-V523 HydrophobicContact CD1-CG2 4.15Å; I194-V523 HydrophobicContact CG1-CG1 4.05Å; V517-V523 HydrophobicContact CG2-CG1 4.35Å; N520-V523 HydrophobicContact CB-CB 4.23Å; N520-V523 HydrophobicContact CB-CG2 4.27Å; N520-V523 PolarHBondContact O-N 3.25Å; N520-V523 PolarHBondContact OD1-N 3.04Å; V523-K525 VanDerWaalsContact C-N 3.34Å; V523-K525 PolarHBondContact O-N 3Å; V523-Q526 PolarHBondContact O-N 3.2Å; V523-L527 HydrophobicContact CG1-CD1 4.09Å; V523-L527 HydrophobicContact CG1-CG 4.49Å; V523-L527 WeakPolarHBondContact O-CG 3.39Å; V523-L527 PolarHBondContact O-N 2.74Å |
| 524 | Q | 94.4 | Very high | 93.8 | Very high | 63 Ų | 63 | 60 Ų | 60 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 176.2 | -161.6 | -170.4 | 105.3 | 0 | 0 | 112.7 | V517 N520 R522 K528 | V517-Q524 HydrophobicContact CG1-CB 4.33Å; V517-Q524 HydrophobicContact CG1-CG 4.02Å; V517-Q524 WeakPolarHBondContact O-CB 3.47Å; V517-Q524 WeakPolarHBondContact O-CG 3.08Å; V517-Q524 PolarHBondContact O-NE2 3.34Å; N520-Q524 PolarHBondContact O-N 2.78Å; R522-Q524 VanDerWaalsContact C-N 3.27Å; R522-Q524 PolarHBondContact O-N 3.34Å; Q524-K528 HydrophobicContact CG-CD 4.4Å; Q524-K528 WeakPolarHBondContact O-CB 3.49Å; Q524-K528 WeakPolarHBondContact O-CD 3.45Å; Q524-K528 VanDerWaalsContact O-CG 3.25Å; Q524-K528 WeakPolarHBondContact O-CG 3.5Å; Q524-K528 PolarHBondContact O-N 2.89Å; Q524-K528 VanDerWaalsContact O-N 3.14Å |
| 525 | K | 95.3 | Very high | 93.9 | Very high | 151 Ų | 151 | 59.4 Ų | 59.4 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.6 | -42.7 | 176.1 | -173.7 | -175.4 | 176.3 | -168.5 | 0 | 111.6 | E521 R522 V523 K528 T529 | E521-K525 WeakPolarHBondContact O-CB 3.48Å; E521-K525 PolarHBondContact O-N 3.04Å; R522-K525 WeakPolarHBondContact O-CB 3.37Å; R522-K525 PolarHBondContact O-N 2.87Å; R522-K525 VanDerWaalsContact O-N 3.08Å; V523-K525 VanDerWaalsContact C-N 3.34Å; V523-K525 PolarHBondContact O-N 3Å; K525-K528 PolarHBondContact O-N 2.65Å; K525-T529 PolarHBondContact O-N 3.07Å; K525-T529 PolarHBondContact O-OG1 2.88Å |
| 526 | Q | 94.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 178 | -69.3 | 174.7 | -50.8 | 0 | 0 | 111.4 | L124 W175 R522 V523 K528 T529 L530 | L124-Q526 HydrophobicContact CD1-CB 4.18Å; L124-Q526 HydrophobicContact CD2-CB 4.1Å; W175-Q526 HydrophobicContact CE3-CG 4.25Å; W175-Q526 HydrophobicContact CH2-CB 4.2Å; W175-Q526 HydrophobicContact CH2-CG 4.11Å; W175-Q526 HydrophobicContact CZ3-CB 4.07Å; W175-Q526 HydrophobicContact CZ3-CG 3.6Å; R522-Q526 HydrophobicContact CG-CG 4.43Å; R522-Q526 VanDerWaalsContact O-CG 3.31Å; R522-Q526 WeakPolarHBondContact O-CG 3.22Å; R522-Q526 PolarHBondContact O-N 2.87Å; V523-Q526 PolarHBondContact O-N 3.2Å; Q526-K528 PolarHBondContact O-N 2.81Å; Q526-T529 PolarHBondContact O-N 3.05Å; Q526-L530 PolarHBondContact O-N 2.9Å |
| 527 | L | 95.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.7 | -68.7 | 173.8 | 0 | 0 | 0 | 112.1 | E120 L124 V517 V523 T529 L530 T531 | E120-L527 HydrophobicContact CB-CD2 4.32Å; E120-L527 HydrophobicContact CG-CD2 4.4Å; L124-L527 HydrophobicContact CB-CD2 4.19Å; L124-L527 HydrophobicContact CD2-CD2 3.68Å; L124-L527 HydrophobicContact CD2-CG 3.85Å; V517-L527 HydrophobicContact CB-CD1 4.46Å; V517-L527 HydrophobicContact CG1-CD1 4.02Å; V517-L527 HydrophobicContact CG2-CD1 3.56Å; V523-L527 HydrophobicContact CG1-CD1 4.09Å; V523-L527 HydrophobicContact CG1-CG 4.49Å; V523-L527 WeakPolarHBondContact O-CG 3.39Å; V523-L527 PolarHBondContact O-N 2.74Å; L527-T529 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 3.4Å; L527-L530 PolarHBondContact O-N 2.98Å; L527-L530 VanDerWaalsContact O-N 3.15Å; L527-T531 PolarHBondContact O-N 3.43Å; L527-T531 PolarHBondContact O-OG1 3.41Å; L527-T531 VanDerWaalsContact O-OG1 3.06Å |
| 528 | K | 95.6 | Very high | 93.9 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 176.1 | -77.6 | 169.4 | 175 | 175.3 | 0 | 113 | Q524 K525 Q526 S532 | Q524-K528 HydrophobicContact CG-CD 4.4Å; Q524-K528 WeakPolarHBondContact O-CB 3.49Å; Q524-K528 WeakPolarHBondContact O-CD 3.45Å; Q524-K528 VanDerWaalsContact O-CG 3.25Å; Q524-K528 WeakPolarHBondContact O-CG 3.5Å; Q524-K528 PolarHBondContact O-N 2.89Å; Q524-K528 VanDerWaalsContact O-N 3.14Å; K525-K528 PolarHBondContact O-N 2.65Å; Q526-K528 PolarHBondContact O-N 2.81Å; K528-S532 PolarHBondContact O-N 2.75Å |
| 529 | T | 96.1 | Very high | 94 | Very high | 51 Ų | 51 | 66.2 Ų | 66.2 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -49.3 | 173.6 | -60 | 0 | 0 | 0 | 0 | 110.6 | W175 K525 Q526 L527 T531 S532 E533 | W175-T529 HydrophobicContact CH2-CG2 4.17Å; W175-T529 HydrophobicContact CZ2-CG2 3.8Å; K525-T529 PolarHBondContact O-N 3.07Å; K525-T529 PolarHBondContact O-OG1 2.88Å; Q526-T529 PolarHBondContact O-N 3.05Å; L527-T529 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 3.4Å; T529-T531 PolarHBondContact O-N 2.88Å; T529-S532 WeakPolarHBondContact O-CA 3.43Å; T529-S532 VanDerWaalsContact O-CB 3.31Å; T529-S532 WeakPolarHBondContact O-CB 3.47Å; T529-S532 PolarHBondContact O-N 3Å; T529-E533 HydrophobicContact CG2-CG 4.27Å; T529-E533 WeakPolarHBondContact CG2-OE1 3.44Å; T529-E533 WeakPolarHBondContact O-CG 3.46Å; T529-E533 PolarHBondContact O-N 2.9Å |
| 530 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | -179.9 | -84.7 | 163.4 | 0 | 0 | 0 | 113.5 | E120 V123 L124 W175 Q526 L527 S532 E533 L534 | E120-L530 HydrophobicContact CB-CB 3.79Å; V123-L530 HydrophobicContact CB-CD1 4.4Å; V123-L530 HydrophobicContact CB-CD2 3.87Å; V123-L530 HydrophobicContact CG1-CD1 4.37Å; V123-L530 HydrophobicContact CG1-CD2 3.49Å; V123-L530 VanDerWaalsContact CG1-CD2 3.49Å; L124-L530 HydrophobicContact CB-CD1 3.78Å; W175-L530 HydrophobicContact CD2-CD1 4.47Å; W175-L530 HydrophobicContact CZ2-CD1 4.43Å; W175-L530 HydrophobicContact CZ2-CG 4.01Å; W175-L530 VanDerWaalsContact NE1-CD2 3.28Å; Q526-L530 PolarHBondContact O-N 2.9Å; L527-L530 PolarHBondContact O-N 2.98Å; L527-L530 VanDerWaalsContact O-N 3.15Å; L530-S532 PolarHBondContact O-N 3.4Å; L530-E533 PolarHBondContact O-N 2.93Å; L530-L534 WeakPolarHBondContact O-CB 3.44Å; L530-L534 VanDerWaalsContact O-CG 3.25Å; L530-L534 WeakPolarHBondContact O-CG 3.44Å; L530-L534 PolarHBondContact O-N 3.2Å |
| 531 | T | 95.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.9 | -39.5 | 173.8 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | E120 L527 T529 A535 | E120-T531 WeakPolarHBondContact CG-OG1 3.33Å; E120-T531 WeakPolarHBondContact OE1-CB 3.35Å; E120-T531 WeakPolarHBondContact OE1-CG2 3.07Å; E120-T531 PolarHBondContact OE1-OG1 2.91Å; L527-T531 PolarHBondContact O-N 3.43Å; L527-T531 PolarHBondContact O-OG1 3.41Å; L527-T531 VanDerWaalsContact O-OG1 3.06Å; T529-T531 PolarHBondContact O-N 2.88Å; T531-A535 VanDerWaalsContact O-CB 3.26Å; T531-A535 WeakPolarHBondContact O-CB 3.35Å; T531-A535 PolarHBondContact O-N 3.5Å; T531-A535 VanDerWaalsContact O-N 3.12Å |
| 532 | S | 95.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 178.1 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | K528 T529 L530 | K528-S532 PolarHBondContact O-N 2.75Å; T529-S532 WeakPolarHBondContact O-CA 3.43Å; T529-S532 VanDerWaalsContact O-CB 3.31Å; T529-S532 WeakPolarHBondContact O-CB 3.47Å; T529-S532 PolarHBondContact O-N 3Å; L530-S532 PolarHBondContact O-N 3.4Å |
| 533 | E | 93.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 178.1 | -72.1 | 175.5 | 173.9 | 0 | 0 | 112.9 | T529 L530 | T529-E533 HydrophobicContact CG2-CG 4.27Å; T529-E533 WeakPolarHBondContact CG2-OE1 3.44Å; T529-E533 WeakPolarHBondContact O-CG 3.46Å; T529-E533 PolarHBondContact O-N 2.9Å; L530-E533 PolarHBondContact O-N 2.93Å |
| 534 | L | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -80.9 | -31.9 | -177.6 | -63.9 | 177.8 | 0 | 0 | 0 | 112.6 | P119 E120 V123 L163 W168 L530 Q536 A537 R538 | P119-L534 HydrophobicContact CB-CD1 3.82Å; E120-L534 HydrophobicContact CB-CD1 4.49Å; V123-L534 HydrophobicContact CG2-CD1 4.07Å; L163-L534 HydrophobicContact CD1-CD2 4.34Å; W168-L534 HydrophobicContact CH2-CD2 3.88Å; W168-L534 HydrophobicContact CZ3-CD2 3.58Å; L530-L534 WeakPolarHBondContact O-CB 3.44Å; L530-L534 VanDerWaalsContact O-CG 3.25Å; L530-L534 WeakPolarHBondContact O-CG 3.44Å; L530-L534 PolarHBondContact O-N 3.2Å; L534-Q536 PolarHBondContact O-N 3.32Å; L534-Q536 VanDerWaalsContact O-N 3.13Å; L534-A537 PolarHBondContact O-N 2.91Å; L534-R538 PolarHBondContact O-N 2.91Å; L534-R538 VanDerWaalsContact O-N 3.13Å |
| 535 | A | 93.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 70.2 Ų | 70.2 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.7 | -35.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T531 A537 | T531-A535 VanDerWaalsContact O-CB 3.26Å; T531-A535 WeakPolarHBondContact O-CB 3.35Å; T531-A535 PolarHBondContact O-N 3.5Å; T531-A535 VanDerWaalsContact O-N 3.12Å; A535-A537 VanDerWaalsContact C-N 3.26Å; A535-A537 PolarHBondContact O-N 3.1Å |
| 536 | Q | 90.4 | Very high | 94.5 | Very high | 174 Ų | 174 | 65.2 Ų | 65.2 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.9 | 179.4 | -58.8 | -176.9 | 26.1 | 0 | 0 | 113.7 | L534 | L534-Q536 PolarHBondContact O-N 3.32Å; L534-Q536 VanDerWaalsContact O-N 3.13Å |
| 537 | A | 92.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 64.9 Ų | 64.9 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H161 K162 L163 L534 A535 | H161-A537 CarbonylContact C-O 3.59Å; H161-A537 WeakPolarHBondContact CA-O 3.36Å; H161-A537 HydrophobicContact CB-CB 4.43Å; K162-A537 PolarHBondContact N-O 3.41Å; L163-A537 HydrophobicContact CD1-CB 4.23Å; L163-A537 HydrophobicContact CD2-CB 3.74Å; L163-A537 HydrophobicContact CG-CB 3.78Å; L534-A537 PolarHBondContact O-N 2.91Å; A535-A537 VanDerWaalsContact C-N 3.26Å; A535-A537 PolarHBondContact O-N 3.1Å |
| 538 | R | 94.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -67.8 | 143.5 | -174.7 | -167.7 | 171.7 | 179.7 | 173.3 | -1.3 | 112 | L534 N543 | L534-R538 PolarHBondContact O-N 2.91Å; L534-R538 VanDerWaalsContact O-N 3.13Å; R538-N543 PolarHBondContact NE-OD1 3.5Å; R538-N543 PolarHBondContact NH2-OD1 3.43Å |
| 539 | D | 94.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | trans | -113.3 | 95.9 | 174.8 | -163.7 | -23.2 | 0 | 0 | 0 | 109.8 | Q160 K162 S541 K542 | Q160-D539 PolarHBondContact O-N 2.81Å; K162-D539 WeakPolarHBondContact CE-OD2 3.34Å; K162-D539 IonicContact NZ-OD1 2.7Å; K162-D539 IonicContact NZ-OD2 2.62Å; K162-D539 PolarHBondContact NZ-OD2 2.82Å; D539-S541 PolarHBondContact O-N 2.99Å; D539-S541 VanDerWaalsContact O-N 3.07Å; D539-S541 WeakPolarHBondContact OD1-CB 3.12Å; D539-S541 PolarHBondContact OD1-N 3.25Å; D539-S541 PolarHBondContact OD1-OG 2.84Å; D539-K542 HydrophobicContact CB-CD 4.21Å; D539-K542 HydrophobicContact CB-CG 4.3Å; D539-K542 PolarHBondContact O-N 2.96Å | ||
| 540 | E | 91.9 | Very high | 94.8 | Very high | 159 Ų | 159 | 63.3 Ų | 63.3 | 74% | 0.743 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -58.3 | -24.9 | -175.9 | -61.2 | -172.7 | 152.6 | 0 | 0 | 113.4 | K542 N543 | E540-K542 PolarHBondContact O-N 3.46Å; E540-K542 VanDerWaalsContact O-N 3.15Å; E540-N543 WeakPolarHBondContact CA-ND2 3.44Å; E540-N543 WeakPolarHBondContact O-CB 3.4Å; E540-N543 PolarHBondContact O-N 2.88Å; E540-N543 PolarHBondContact O-ND2 2.82Å |
| 541 | S | 93.9 | Very high | 94.8 | Very high | 103 Ų | 103 | 65.6 Ų | 65.6 | 72% | 0.72 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -65.3 | -13.6 | 176.4 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | D539 | D539-S541 PolarHBondContact O-N 2.99Å; D539-S541 VanDerWaalsContact O-N 3.07Å; D539-S541 WeakPolarHBondContact OD1-CB 3.12Å; D539-S541 PolarHBondContact OD1-N 3.25Å; D539-S541 PolarHBondContact OD1-OG 2.84Å |
| 542 | K | 95.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 66.9 Ų | 66.9 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -110 | 5.4 | -179.2 | -56.6 | -176.2 | -175.1 | -174.5 | 0 | 113.8 | E159 Q160 D539 E540 T544 | E159-K542 WeakPolarHBondContact O-CD 3.44Å; E159-K542 WeakPolarHBondContact O-CE 3.08Å; E159-K542 PolarHBondContact O-NZ 3.12Å; Q160-K542 HydrophobicContact CB-CB 4.08Å; D539-K542 HydrophobicContact CB-CD 4.21Å; D539-K542 HydrophobicContact CB-CG 4.3Å; D539-K542 PolarHBondContact O-N 2.96Å; E540-K542 PolarHBondContact O-N 3.46Å; E540-K542 VanDerWaalsContact O-N 3.15Å; K542-T544 PolarHBondContact O-N 2.97Å |
| 543 | N | 94.1 | Very high | 94.8 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | trans | -58.7 | 122.1 | 172.8 | -75.4 | -35.5 | 0 | 0 | 0 | 109.8 | R538 E540 D547 L548 | R538-N543 PolarHBondContact NE-OD1 3.5Å; R538-N543 PolarHBondContact NH2-OD1 3.43Å; E540-N543 WeakPolarHBondContact CA-ND2 3.44Å; E540-N543 WeakPolarHBondContact O-CB 3.4Å; E540-N543 PolarHBondContact O-N 2.88Å; E540-N543 PolarHBondContact O-ND2 2.82Å; N543-D547 HydrophobicContact CB-CB 4.35Å; N543-L548 HydrophobicContact CB-CD2 3.99Å; N543-L548 HydrophobicContact CB-CG 4.28Å | ||
| 544 | T | 96.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 64.7 Ų | 64.7 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | trans | -77.4 | 167.3 | 173.2 | 74.1 | 0 | 0 | 0 | 0 | 110.8 | R156 K542 N546 D547 L548 | R156-T544 HydrophobicContact CG-CG2 3.84Å; K542-T544 PolarHBondContact O-N 2.97Å; T544-N546 PolarHBondContact O-N 3.21Å; T544-N546 PolarHBondContact OG1-N 2.62Å; T544-D547 WeakPolarHBondContact CA-OD2 3.41Å; T544-D547 VanDerWaalsContact CB-OD2 3.22Å; T544-D547 WeakPolarHBondContact CB-OD2 3.42Å; T544-D547 WeakPolarHBondContact CG2-OD2 3.38Å; T544-D547 PolarHBondContact N-OD2 3.37Å; T544-D547 PolarHBondContact O-N 2.86Å; T544-D547 PolarHBondContact OG1-N 3.25Å; T544-D547 PolarHBondContact OG1-OD2 2.99Å; T544-L548 PolarHBondContact O-N 3.38Å | ||
| 545 | Q | 95.7 | Very high | 94.9 | Very high | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.3 | -39.2 | 175 | -176.9 | 170.7 | 7.4 | 0 | 0 | 112.8 | D231 L548 L549 | D231-Q545 PolarHBondContact O-NE2 3.19Å; Q545-L548 PolarHBondContact O-N 2.67Å; Q545-L549 HydrophobicContact CG-CD1 4.04Å; Q545-L549 WeakPolarHBondContact O-CB 3.46Å; Q545-L549 VanDerWaalsContact O-CG 3.27Å; Q545-L549 WeakPolarHBondContact O-CG 3.32Å; Q545-L549 PolarHBondContact O-N 2.84Å |
| 546 | N | 96.6 | Very high | 95 | Very high | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.5 | -37 | 177 | -70.4 | -1.9 | 0 | 0 | 0 | 112.2 | Y116 L234 T544 L548 L549 H550 | Y116-N546 HydrophobicContact CD2-CB 3.38Å; Y116-N546 HydrophobicContact CE2-CB 3.65Å; Y116-N546 HydrophobicContact CG-CB 4Å; L234-N546 HydrophobicContact CD1-CB 4.28Å; L234-N546 WeakPolarHBondContact CD1-O 3.41Å; T544-N546 PolarHBondContact O-N 3.21Å; T544-N546 PolarHBondContact OG1-N 2.62Å; N546-L548 VanDerWaalsContact C-N 3.28Å; N546-L548 PolarHBondContact O-N 3.17Å; N546-L549 PolarHBondContact O-N 3.15Å; N546-H550 VanDerWaalsContact O-CB 3.29Å; N546-H550 WeakPolarHBondContact O-CB 3.42Å; N546-H550 PolarHBondContact O-N 2.86Å |
| 547 | D | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 175.9 | -51.7 | -74.6 | 0 | 0 | 0 | 111 | Y116 R156 Q160 N543 T544 S551 | Y116-D547 WeakPolarHBondContact CE2-OD1 3.25Å; Y116-D547 WeakPolarHBondContact OH-CA 3.39Å; Y116-D547 PolarHBondContact OH-OD1 3.46Å; R156-D547 WeakPolarHBondContact CD-OD2 3.15Å; R156-D547 IonicContact CZ-OD1 3.96Å; R156-D547 IonicContact NH1-OD1 2.82Å; R156-D547 PolarHBondContact NH1-OD1 3.41Å; Q160-D547 PolarHBondContact NE2-OD1 2.86Å; N543-D547 HydrophobicContact CB-CB 4.35Å; T544-D547 WeakPolarHBondContact CA-OD2 3.41Å; T544-D547 VanDerWaalsContact CB-OD2 3.22Å; T544-D547 WeakPolarHBondContact CB-OD2 3.42Å; T544-D547 WeakPolarHBondContact CG2-OD2 3.38Å; T544-D547 PolarHBondContact N-OD2 3.37Å; T544-D547 PolarHBondContact O-N 2.86Å; T544-D547 PolarHBondContact OG1-N 3.25Å; T544-D547 PolarHBondContact OG1-OD2 2.99Å; D547-S551 VanDerWaalsContact O-CB 3.31Å; D547-S551 WeakPolarHBondContact O-CB 3.11Å; D547-S551 PolarHBondContact O-N 2.88Å; D547-S551 VanDerWaalsContact O-N 3.07Å; D547-S551 PolarHBondContact O-OG 3.27Å |
| 548 | L | 96.3 | Very high | 95.3 | Very high | 100 Ų | 100 | 70.1 Ų | 70.1 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.9 | -48.3 | 174 | -63.2 | 175.9 | 0 | 0 | 0 | 112.3 | N543 T544 Q545 N546 S551 E552 | N543-L548 HydrophobicContact CB-CD2 3.99Å; N543-L548 HydrophobicContact CB-CG 4.28Å; T544-L548 PolarHBondContact O-N 3.38Å; Q545-L548 PolarHBondContact O-N 2.67Å; N546-L548 VanDerWaalsContact C-N 3.28Å; N546-L548 PolarHBondContact O-N 3.17Å; L548-S551 PolarHBondContact O-N 2.8Å; L548-E552 PolarHBondContact O-N 2.82Å |
| 549 | L | 96.7 | Very high | 95.3 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.183 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 177.8 | -72.9 | 167.1 | 0 | 0 | 0 | 111.8 | D232 L234 Q545 N546 S551 E552 N553 | D232-L549 HydrophobicContact CB-CD1 4.11Å; D232-L549 HydrophobicContact CB-CD2 4.43Å; L234-L549 HydrophobicContact CD1-CB 3.99Å; Q545-L549 HydrophobicContact CG-CD1 4.04Å; Q545-L549 WeakPolarHBondContact O-CB 3.46Å; Q545-L549 VanDerWaalsContact O-CG 3.27Å; Q545-L549 WeakPolarHBondContact O-CG 3.32Å; Q545-L549 PolarHBondContact O-N 2.84Å; N546-L549 PolarHBondContact O-N 3.15Å; L549-S551 PolarHBondContact O-N 2.7Å; L549-E552 WeakPolarHBondContact O-CB 3.42Å; L549-E552 PolarHBondContact O-N 3.33Å; L549-N553 PolarHBondContact O-N 3.13Å |
| 550 | H | 96.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.8 | -176.4 | 77.6 | 0 | 0 | 0 | 111.7 | Y116 E199 L234 N546 E552 N553 V554 | Y116-H550 HydrophobicContact CE1-CB 3.57Å; Y116-H550 AromaticContact CE1-CG 3.59Å; Y116-H550 AromaticContact CE1-ND1 3.84Å; E199-H550 IonicContact OE1-CE1 2.67Å; E199-H550 IonicContact OE1-CG 2.72Å; E199-H550 IonicContact OE1-ND1 3.24Å; E199-H550 PolarHBondContact OE1-ND1 3.22Å; E199-H550 IonicContact OE2-ND1 3.98Å; L234-H550 HydrophobicContact CD1-CB 3.8Å; N546-H550 VanDerWaalsContact O-CB 3.29Å; N546-H550 WeakPolarHBondContact O-CB 3.42Å; N546-H550 PolarHBondContact O-N 2.86Å; H550-E552 VanDerWaalsContact C-N 3.25Å; H550-E552 PolarHBondContact O-N 2.82Å; H550-N553 WeakPolarHBondContact O-CB 3.45Å; H550-N553 PolarHBondContact O-N 2.67Å; H550-N553 VanDerWaalsContact O-N 3.1Å; H550-V554 WeakPolarHBondContact O-CG2 3.49Å; H550-V554 PolarHBondContact O-N 2.94Å |
| 551 | S | 95.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | D547 L548 L549 R555 | D547-S551 VanDerWaalsContact O-CB 3.31Å; D547-S551 WeakPolarHBondContact O-CB 3.11Å; D547-S551 PolarHBondContact O-N 2.88Å; D547-S551 VanDerWaalsContact O-N 3.07Å; D547-S551 PolarHBondContact O-OG 3.27Å; L548-S551 PolarHBondContact O-N 2.8Å; L549-S551 PolarHBondContact O-N 2.7Å; S551-R555 WeakPolarHBondContact O-CB 3.23Å; S551-R555 PolarHBondContact O-N 2.97Å |
| 552 | E | 96.4 | Very high | 95.5 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72 | -35.6 | 173.4 | -158.4 | -156.3 | 99.3 | 0 | 0 | 112.9 | L548 L549 H550 A556 R558 | L548-E552 PolarHBondContact O-N 2.82Å; L549-E552 WeakPolarHBondContact O-CB 3.42Å; L549-E552 PolarHBondContact O-N 3.33Å; H550-E552 VanDerWaalsContact C-N 3.25Å; H550-E552 PolarHBondContact O-N 2.82Å; E552-A556 VanDerWaalsContact O-CB 3.29Å; E552-A556 WeakPolarHBondContact O-CB 3.49Å; E552-A556 PolarHBondContact O-N 3.46Å; E552-A556 VanDerWaalsContact O-N 3.1Å; E552-R558 PolarHBondContact O-NH2 2.99Å; E552-R558 IonicContact OE1-CZ 3.68Å; E552-R558 IonicContact OE1-NH1 3.71Å; E552-R558 IonicContact OE1-NH2 2.73Å; E552-R558 PolarHBondContact OE1-NH2 2.67Å |
| 553 | N | 96.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -54 | 174.2 | -76.8 | -22.7 | 0 | 0 | 0 | 110.6 | T235 L549 H550 R555 A556 G557 R558 | T235-N553 PolarHBondContact OG1-ND2 2.7Å; T235-N553 PolarHBondContact OG1-OD1 2.92Å; L549-N553 PolarHBondContact O-N 3.13Å; H550-N553 WeakPolarHBondContact O-CB 3.45Å; H550-N553 PolarHBondContact O-N 2.67Å; H550-N553 VanDerWaalsContact O-N 3.1Å; N553-R555 PolarHBondContact O-N 2.99Å; N553-A556 CarbonylContact O-C 3.56Å; N553-A556 PolarHBondContact O-N 3.02Å; N553-A556 VanDerWaalsContact O-N 3.09Å; N553-G557 PolarHBondContact O-N 2.82Å; N553-R558 HydrophobicContact CB-CB 4.11Å; N553-R558 WeakPolarHBondContact O-CB 3.41Å; N553-R558 PolarHBondContact O-N 3.3Å; N553-R558 PolarHBondContact OD1-NE 2.79Å; N553-R558 VanDerWaalsContact OD1-NE 3.09Å; N553-R558 PolarHBondContact OD1-NH1 3.4Å; N553-R558 PolarHBondContact OD1-NH2 3.06Å |
| 554 | V | 94.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 177.3 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | H550 A556 G557 | H550-V554 WeakPolarHBondContact O-CG2 3.49Å; H550-V554 PolarHBondContact O-N 2.94Å; V554-A556 PolarHBondContact O-N 3.04Å; V554-G557 PolarHBondContact O-N 3.1Å |
| 555 | R | 95.1 | Very high | 95.4 | Very high | 200 Ų | 200 | 55 Ų | 55 | 76% | 0.755 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.9 | -30.7 | 177.4 | -175.7 | -178.6 | 67.9 | -173.8 | -1.1 | 113.3 | S551 N553 G557 | S551-R555 WeakPolarHBondContact O-CB 3.23Å; S551-R555 PolarHBondContact O-N 2.97Å; N553-R555 PolarHBondContact O-N 2.99Å; R555-G557 VanDerWaalsContact C-N 3.32Å |
| 556 | A | 95.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E552 N553 V554 R558 | E552-A556 VanDerWaalsContact O-CB 3.29Å; E552-A556 WeakPolarHBondContact O-CB 3.49Å; E552-A556 PolarHBondContact O-N 3.46Å; E552-A556 VanDerWaalsContact O-N 3.1Å; N553-A556 CarbonylContact O-C 3.56Å; N553-A556 PolarHBondContact O-N 3.02Å; N553-A556 VanDerWaalsContact O-N 3.09Å; V554-A556 PolarHBondContact O-N 3.04Å; A556-R558 VanDerWaalsContact C-N 3.25Å; A556-R558 HydrophobicContact CB-CG 4.32Å; A556-R558 PolarHBondContact O-N 3.29Å |
| 557 | G | 94.2 | Very high | 95.3 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 21.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N553 V554 R555 K562 | N553-G557 PolarHBondContact O-N 2.82Å; V554-G557 PolarHBondContact O-N 3.1Å; R555-G557 VanDerWaalsContact C-N 3.32Å; G557-K562 WeakPolarHBondContact O-CD 3.47Å |
| 558 | R | 95.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | trans | -84.9 | 140.9 | 175.7 | -71.5 | 174.9 | -77.6 | -178.3 | -4.5 | 110.6 | E552 N553 A556 | E552-R558 PolarHBondContact O-NH2 2.99Å; E552-R558 IonicContact OE1-CZ 3.68Å; E552-R558 IonicContact OE1-NH1 3.71Å; E552-R558 IonicContact OE1-NH2 2.73Å; E552-R558 PolarHBondContact OE1-NH2 2.67Å; N553-R558 HydrophobicContact CB-CB 4.11Å; N553-R558 WeakPolarHBondContact O-CB 3.41Å; N553-R558 PolarHBondContact O-N 3.3Å; N553-R558 PolarHBondContact OD1-NE 2.79Å; N553-R558 VanDerWaalsContact OD1-NE 3.09Å; N553-R558 PolarHBondContact OD1-NH1 3.4Å; N553-R558 PolarHBondContact OD1-NH2 3.06Å; A556-R558 VanDerWaalsContact C-N 3.25Å; A556-R558 HydrophobicContact CB-CG 4.32Å; A556-R558 PolarHBondContact O-N 3.29Å | ||
| 559 | D | 94.6 | Very high | 95 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | trans | -138.7 | 174.2 | 166.1 | 63.9 | 73.1 | 0 | 0 | 0 | 108.9 | T515 Y561 K562 T563 | T515-D559 HydrophobicContact CG2-CB 4.1Å; D559-Y561 VanDerWaalsContact C-N 3.34Å; D559-Y561 PolarHBondContact O-N 2.92Å; D559-Y561 WeakPolarHBondContact OD1-CA 3.21Å; D559-Y561 PolarHBondContact OD1-N 2.85Å; D559-K562 PolarHBondContact O-N 3.09Å; D559-K562 PolarHBondContact OD1-N 3.25Å; D559-K562 WeakPolarHBondContact OD2-CB 3.45Å; D559-K562 WeakPolarHBondContact OD2-CD 3.45Å; D559-K562 WeakPolarHBondContact OD2-CE 3.26Å; D559-K562 WeakPolarHBondContact OD2-CG 3.09Å; D559-K562 IonicContact OD2-NZ 3.6Å; D559-K562 PolarHBondContact OD2-NZ 3.09Å; D559-T563 WeakPolarHBondContact O-CB 3.42Å; D559-T563 PolarHBondContact O-N 2.75Å; D559-T563 PolarHBondContact O-OG1 3.22Å | ||
| 560 | K | 95.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -49.9 | -48.4 | -178.5 | -170.6 | 168.9 | -170.7 | 165.8 | 0 | 113.4 | Q196 D197 L198 Y201 L564 | Q196-K560 PolarHBondContact O-NZ 3.41Å; D197-K560 WeakPolarHBondContact O-CB 2.96Å; D197-K560 WeakPolarHBondContact O-CD 3.26Å; L198-K560 PolarHBondContact O-NZ 3.35Å; Y201-K560 PolarHBondContact O-NZ 2.96Å; K560-L564 HydrophobicContact CG-CD1 4.2Å; K560-L564 WeakPolarHBondContact O-CB 3.01Å; K560-L564 WeakPolarHBondContact O-CD1 3.43Å; K560-L564 WeakPolarHBondContact O-CG 3.43Å; K560-L564 PolarHBondContact O-N 3.21Å |
| 561 | Y | 94.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.2 | -34.7 | -174.8 | -53.4 | -62.4 | 0 | 0 | 0 | 112.7 | D197 L223 R513 T515 D559 L564 R565 | D197-Y561 VanDerWaalsContact OD1-CE2 3.29Å; D197-Y561 WeakPolarHBondContact OD1-CE2 3.29Å; D197-Y561 PolarHBondContact OD1-OH 3.4Å; L223-Y561 HydrophobicContact CD1-CE1 4.26Å; R513-Y561 HydrophobicContact CB-CD1 4.15Å; R513-Y561 HydrophobicContact CB-CG 4.17Å; R513-Y561 HydrophobicContact CG-CD1 4.09Å; R513-Y561 HydrophobicContact CG-CD2 4.07Å; R513-Y561 HydrophobicContact CG-CE1 4.08Å; R513-Y561 HydrophobicContact CG-CE2 4.04Å; R513-Y561 HydrophobicContact CG-CG 4.11Å; R513-Y561 PolarHBondContact NE-OH 3.42Å; R513-Y561 PolarHBondContact NH2-OH 3.13Å; R513-Y561 WeakPolarHBondContact O-CB 3.19Å; T515-Y561 HydrophobicContact CG2-CD2 3.78Å; T515-Y561 HydrophobicContact CG2-CE2 3.96Å; D559-Y561 VanDerWaalsContact C-N 3.34Å; D559-Y561 PolarHBondContact O-N 2.92Å; D559-Y561 WeakPolarHBondContact OD1-CA 3.21Å; D559-Y561 PolarHBondContact OD1-N 2.85Å; Y561-L564 HydrophobicContact CD1-CD1 4.24Å; Y561-L564 PolarHBondContact O-N 3.48Å; Y561-R565 WeakPolarHBondContact O-CB 3.41Å; Y561-R565 WeakPolarHBondContact O-CG 3.22Å; Y561-R565 PolarHBondContact O-N 2.89Å; Y561-R565 PolarHBondContact O-NE 2.96Å |
| 562 | K | 94.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 169.9 | -74.9 | -174.2 | -164.5 | 85.4 | 0 | 111.7 | E518 G557 D559 R565 Q566 | E518-K562 IonicContact OE1-NZ 3.89Å; E518-K562 PolarHBondContact OE1-NZ 3.1Å; G557-K562 WeakPolarHBondContact O-CD 3.47Å; D559-K562 PolarHBondContact O-N 3.09Å; D559-K562 PolarHBondContact OD1-N 3.25Å; D559-K562 WeakPolarHBondContact OD2-CB 3.45Å; D559-K562 WeakPolarHBondContact OD2-CD 3.45Å; D559-K562 WeakPolarHBondContact OD2-CE 3.26Å; D559-K562 WeakPolarHBondContact OD2-CG 3.09Å; D559-K562 IonicContact OD2-NZ 3.6Å; D559-K562 PolarHBondContact OD2-NZ 3.09Å; K562-R565 PolarHBondContact O-N 3.17Å; K562-Q566 WeakPolarHBondContact O-CB 3.35Å; K562-Q566 PolarHBondContact O-N 2.92Å |
| 563 | T | 95.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | T235 P236 D559 R565 Q566 I567 | T235-T563 HydrophobicContact CG2-CG2 4.24Å; P236-T563 HydrophobicContact CG-CG2 4.03Å; D559-T563 WeakPolarHBondContact O-CB 3.42Å; D559-T563 PolarHBondContact O-N 2.75Å; D559-T563 PolarHBondContact O-OG1 3.22Å; T563-R565 PolarHBondContact O-N 2.96Å; T563-Q566 PolarHBondContact O-N 3.37Å; T563-Q566 VanDerWaalsContact O-N 3.12Å; T563-I567 HydrophobicContact CG2-CG2 4.19Å; T563-I567 WeakPolarHBondContact O-CG1 3.18Å; T563-I567 WeakPolarHBondContact O-CG2 3.44Å; T563-I567 PolarHBondContact O-N 3.11Å |
| 564 | L | 94.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 173.9 | -76.5 | 169.8 | 0 | 0 | 0 | 112.6 | L223 N226 K560 Y561 I567 R568 | L223-L564 HydrophobicContact CD1-CD1 3.72Å; N226-L564 WeakPolarHBondContact OD1-CD2 3.5Å; K560-L564 HydrophobicContact CG-CD1 4.2Å; K560-L564 WeakPolarHBondContact O-CB 3.01Å; K560-L564 WeakPolarHBondContact O-CD1 3.43Å; K560-L564 WeakPolarHBondContact O-CG 3.43Å; K560-L564 PolarHBondContact O-N 3.21Å; Y561-L564 HydrophobicContact CD1-CD1 4.24Å; Y561-L564 PolarHBondContact O-N 3.48Å; L564-I567 HydrophobicContact CD2-CD1 4.19Å; L564-R568 WeakPolarHBondContact O-CB 3.39Å; L564-R568 VanDerWaalsContact O-CD 3.25Å; L564-R568 WeakPolarHBondContact O-CD 3.46Å; L564-R568 WeakPolarHBondContact O-CG 3.48Å; L564-R568 PolarHBondContact O-N 3.13Å |
| 565 | R | 94.3 | Very high | 94.6 | Very high | 67 Ų | 67 | 58 Ų | 58 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 171.3 | -82.3 | 179.3 | -82.6 | -90 | 0.3 | 111.5 | E511 R513 Y561 K562 T563 R568 Q569 | E511-R565 WeakPolarHBondContact O-CD 3.29Å; E511-R565 WeakPolarHBondContact O-CG 3.43Å; E511-R565 PolarHBondContact O-NH1 2.69Å; R513-R565 PolarHBondContact O-NH1 2.89Å; R513-R565 PolarHBondContact O-NH2 3.21Å; Y561-R565 WeakPolarHBondContact O-CB 3.41Å; Y561-R565 WeakPolarHBondContact O-CG 3.22Å; Y561-R565 PolarHBondContact O-N 2.89Å; Y561-R565 PolarHBondContact O-NE 2.96Å; K562-R565 PolarHBondContact O-N 3.17Å; T563-R565 PolarHBondContact O-N 2.96Å; R565-R568 PolarHBondContact O-N 3.43Å; R565-Q569 WeakPolarHBondContact O-CG 3.42Å |
| 566 | Q | 94.8 | Very high | 94.7 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63 | -49.7 | -176.5 | -173.7 | 179.5 | 3.1 | 0 | 0 | 112.5 | K562 T563 R568 Q569 | K562-Q566 WeakPolarHBondContact O-CB 3.35Å; K562-Q566 PolarHBondContact O-N 2.92Å; T563-Q566 PolarHBondContact O-N 3.37Å; T563-Q566 VanDerWaalsContact O-N 3.12Å; Q566-R568 PolarHBondContact O-N 3.2Å; Q566-Q569 WeakPolarHBondContact O-CB 3.48Å; Q566-Q569 WeakPolarHBondContact O-CG 3.26Å; Q566-Q569 PolarHBondContact O-N 3.12Å |
| 567 | I | 94.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.7 | -5.6 | -175.8 | 71.1 | 177.7 | 0 | 0 | 0 | 114.4 | P236 K237 G239 T563 L564 R575 | P236-I567 HydrophobicContact CB-CD1 3.67Å; P236-I567 HydrophobicContact CG-CD1 3.65Å; P236-I567 WeakPolarHBondContact O-CG2 3.24Å; K237-I567 WeakPolarHBondContact O-CG2 3.41Å; G239-I567 PolarHBondContact N-O 2.98Å; T563-I567 HydrophobicContact CG2-CG2 4.19Å; T563-I567 WeakPolarHBondContact O-CG1 3.18Å; T563-I567 WeakPolarHBondContact O-CG2 3.44Å; T563-I567 PolarHBondContact O-N 3.11Å; L564-I567 HydrophobicContact CD2-CD1 4.19Å; I567-R575 WeakPolarHBondContact O-CD 3.22Å |
| 568 | R | 95.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.7 | 176 | -69.6 | 173 | -177.4 | -157 | -8.8 | 112.6 | L223 L564 R565 Q566 R575 | L223-R568 PolarHBondContact O-NH2 3.07Å; L564-R568 WeakPolarHBondContact O-CB 3.39Å; L564-R568 VanDerWaalsContact O-CD 3.25Å; L564-R568 WeakPolarHBondContact O-CD 3.46Å; L564-R568 WeakPolarHBondContact O-CG 3.48Å; L564-R568 PolarHBondContact O-N 3.13Å; R565-R568 PolarHBondContact O-N 3.43Å; Q566-R568 PolarHBondContact O-N 3.2Å; R568-R575 VanDerWaalsContact O-CZ 3.24Å; R568-R575 PolarHBondContact O-NE 3.39Å; R568-R575 VanDerWaalsContact O-NE 3.11Å; R568-R575 PolarHBondContact O-NH2 3.4Å |
| 569 | Q | 91.9 | Very high | 94.8 | Very high | 133 Ų | 133 | 48 Ų | 48 | 62% | 0.621 | 24% | 0.237 | S | C | * | . | trans | -63.3 | 161.3 | 174.6 | -65.5 | -177.3 | 5.8 | 0 | 0 | 111.7 | R565 Q566 R575 | R565-Q569 WeakPolarHBondContact O-CG 3.42Å; Q566-Q569 WeakPolarHBondContact O-CB 3.48Å; Q566-Q569 WeakPolarHBondContact O-CG 3.26Å; Q566-Q569 PolarHBondContact O-N 3.12Å; Q569-R575 VanDerWaalsContact O-CD 3.26Å; Q569-R575 WeakPolarHBondContact O-CD 3.39Å; Q569-R575 PolarHBondContact O-NE 2.98Å | ||
| 570 | G | 91.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 48 Ų | 48 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 72.1 | 171.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R575 | G570-R575 PolarHBondContact O-NE 3.27Å; G570-R575 PolarHBondContact O-NH2 3.23Å |
| 571 | N | 92.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 50 Ų | 50 | 51% | 0.508 | 26% | 0.257 | S | S | . | . | trans | -80.7 | 160 | 177.9 | 59.8 | 74.3 | 0 | 0 | 0 | 111.5 | K573 Q574 R575 | N571-K573 PolarHBondContact O-N 2.69Å; N571-K573 WeakPolarHBondContact OD1-CB 3.45Å; N571-K573 PolarHBondContact OD1-N 2.73Å; N571-Q574 WeakPolarHBondContact O-CB 3.19Å; N571-Q574 PolarHBondContact O-N 3.38Å; N571-Q574 PolarHBondContact OD1-N 3.11Å; N571-R575 PolarHBondContact O-N 2.76Å | ||
| 572 | T | 94.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -34.7 | -176.5 | -43.1 | 0 | 0 | 0 | 0 | 113.1 | F240 E244 P259 I576 | F240-T572 HydrophobicContact CD1-CG2 3.94Å; F240-T572 HydrophobicContact CE1-CG2 3.97Å; E244-T572 VanDerWaalsContact CD-OG1 3.27Å; E244-T572 WeakPolarHBondContact OE2-CG2 3.29Å; E244-T572 PolarHBondContact OE2-OG1 3.13Å; P259-T572 HydrophobicContact CB-CG2 3.71Å; P259-T572 HydrophobicContact CG-CG2 4.46Å; T572-I576 HydrophobicContact CG2-CD1 4.22Å; T572-I576 VanDerWaalsContact O-CG1 3.29Å; T572-I576 WeakPolarHBondContact O-CG1 3.26Å; T572-I576 PolarHBondContact O-N 2.81Å; T572-I576 VanDerWaalsContact O-N 3.13Å |
| 573 | K | 95.3 | Very high | 94.7 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 171.9 | 172.7 | 178.9 | 169.7 | -174.9 | 0 | 111.8 | S264 P265 N571 R575 I576 D577 | S264-K573 PolarHBondContact OG-N 2.71Å; S264-K573 VanDerWaalsContact OG-N 3.15Å; P265-K573 HydrophobicContact CG-CG 4.35Å; N571-K573 PolarHBondContact O-N 2.69Å; N571-K573 WeakPolarHBondContact OD1-CB 3.45Å; N571-K573 PolarHBondContact OD1-N 2.73Å; K573-R575 VanDerWaalsContact C-N 3.29Å; K573-R575 PolarHBondContact O-N 2.85Å; K573-I576 PolarHBondContact O-N 3.48Å; K573-D577 WeakPolarHBondContact CE-OD2 3.24Å; K573-D577 WeakPolarHBondContact CG-OD2 3.31Å; K573-D577 IonicContact NZ-OD2 3.93Å; K573-D577 PolarHBondContact O-N 3.15Å |
| 574 | Q | 96.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -53.9 | -47.8 | -179.9 | -179.4 | -169.5 | -27.6 | 0 | 0 | 110.9 | N571 I576 D577 E578 | N571-Q574 WeakPolarHBondContact O-CB 3.19Å; N571-Q574 PolarHBondContact O-N 3.38Å; N571-Q574 PolarHBondContact OD1-N 3.11Å; Q574-I576 VanDerWaalsContact C-N 3.28Å; Q574-I576 PolarHBondContact O-N 3.16Å; Q574-D577 PolarHBondContact O-N 3.02Å; Q574-D577 VanDerWaalsContact O-N 3.15Å; Q574-E578 WeakPolarHBondContact CG-OE1 3.48Å; Q574-E578 PolarHBondContact NE2-OE1 3.34Å; Q574-E578 WeakPolarHBondContact O-CB 3.45Å; Q574-E578 VanDerWaalsContact O-CG 3.31Å; Q574-E578 WeakPolarHBondContact O-CG 3.38Å; Q574-E578 PolarHBondContact O-N 3.32Å |
| 575 | R | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -26.7 | 178.1 | -77 | -179 | -88.2 | 120.8 | -2.4 | 113.8 | I238 G239 F240 E244 I567 R568 Q569 G570 N571 K573 F579 | I238-R575 HydrophobicContact CG2-CB 3.78Å; I238-R575 HydrophobicContact CG2-CG 4.15Å; I238-R575 WeakPolarHBondContact CG2-O 3.34Å; G239-R575 WeakPolarHBondContact O-CD 3.41Å; G239-R575 PolarHBondContact O-NH1 2.6Å; F240-R575 HydrophobicContact CE1-CB 3.67Å; F240-R575 HydrophobicContact CZ-CB 3.91Å; E244-R575 IonicContact OE1-CZ 3.94Å; E244-R575 IonicContact OE1-NH1 2.66Å; E244-R575 IonicContact OE1-NH2 3.37Å; E244-R575 PolarHBondContact OE1-NH2 3.5Å; E244-R575 IonicContact OE2-CZ 2.6Å; E244-R575 IonicContact OE2-NH1 2.66Å; E244-R575 PolarHBondContact OE2-NH1 3.1Å; E244-R575 IonicContact OE2-NH2 2.7Å; E244-R575 PolarHBondContact OE2-NH2 3.45Å; E244-R575 VanDerWaalsContact OE2-NH2 3.13Å; I567-R575 WeakPolarHBondContact O-CD 3.22Å; R568-R575 VanDerWaalsContact O-CZ 3.24Å; R568-R575 PolarHBondContact O-NE 3.39Å; R568-R575 VanDerWaalsContact O-NE 3.11Å; R568-R575 PolarHBondContact O-NH2 3.4Å; Q569-R575 VanDerWaalsContact O-CD 3.26Å; Q569-R575 WeakPolarHBondContact O-CD 3.39Å; Q569-R575 PolarHBondContact O-NE 2.98Å; G570-R575 PolarHBondContact O-NE 3.27Å; G570-R575 PolarHBondContact O-NH2 3.23Å; N571-R575 PolarHBondContact O-N 2.76Å; K573-R575 VanDerWaalsContact C-N 3.29Å; K573-R575 PolarHBondContact O-N 2.85Å; R575-F579 PolarHBondContact O-N 3.22Å; R575-F579 VanDerWaalsContact O-N 3.16Å |
| 576 | I | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.3 | -40.1 | 171.6 | -65 | 165.8 | 0 | 0 | 0 | 111.4 | F240 P265 F267 T572 K573 Q574 E578 F579 E580 | F240-I576 HydrophobicContact CE1-CG1 3.85Å; F240-I576 HydrophobicContact CZ-CG1 3.79Å; P265-I576 HydrophobicContact CG-CB 4.21Å; P265-I576 HydrophobicContact CG-CD1 4.15Å; P265-I576 HydrophobicContact CG-CG2 3.89Å; P265-I576 VanDerWaalsContact O-CD1 3.22Å; P265-I576 WeakPolarHBondContact O-CD1 3.32Å; F267-I576 HydrophobicContact CB-CD1 3.81Å; F267-I576 HydrophobicContact CB-CG1 3.95Å; F267-I576 HydrophobicContact CD2-CG1 4.33Å; F267-I576 HydrophobicContact CG-CG1 4.42Å; T572-I576 HydrophobicContact CG2-CD1 4.22Å; T572-I576 VanDerWaalsContact O-CG1 3.29Å; T572-I576 WeakPolarHBondContact O-CG1 3.26Å; T572-I576 PolarHBondContact O-N 2.81Å; T572-I576 VanDerWaalsContact O-N 3.13Å; K573-I576 PolarHBondContact O-N 3.48Å; Q574-I576 VanDerWaalsContact C-N 3.28Å; Q574-I576 PolarHBondContact O-N 3.16Å; I576-E578 VanDerWaalsContact C-N 3.3Å; I576-E578 PolarHBondContact O-N 2.84Å; I576-F579 WeakPolarHBondContact O-CB 3.4Å; I576-F579 PolarHBondContact O-N 2.85Å; I576-E580 PolarHBondContact O-N 3Å; I576-E580 VanDerWaalsContact O-N 3.1Å |
| 577 | D | 94.8 | Very high | 94.7 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 175.6 | -68.5 | -20.7 | 0 | 0 | 0 | 110.6 | K573 Q574 E580 A581 | K573-D577 WeakPolarHBondContact CE-OD2 3.24Å; K573-D577 WeakPolarHBondContact CG-OD2 3.31Å; K573-D577 IonicContact NZ-OD2 3.93Å; K573-D577 PolarHBondContact O-N 3.15Å; Q574-D577 PolarHBondContact O-N 3.02Å; Q574-D577 VanDerWaalsContact O-N 3.15Å; D577-E580 CarbonylContact O-C 3.59Å; D577-E580 PolarHBondContact O-N 2.79Å; D577-A581 WeakPolarHBondContact O-CB 3.49Å; D577-A581 PolarHBondContact O-N 2.63Å |
| 578 | E | 96.3 | Very high | 94.7 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 170.9 | -73.8 | 164.9 | -179.8 | 0 | 0 | 112.4 | I238 Q574 I576 E580 A581 L582 | I238-E578 HydrophobicContact CD1-CB 3.91Å; Q574-E578 WeakPolarHBondContact CG-OE1 3.48Å; Q574-E578 PolarHBondContact NE2-OE1 3.34Å; Q574-E578 WeakPolarHBondContact O-CB 3.45Å; Q574-E578 VanDerWaalsContact O-CG 3.31Å; Q574-E578 WeakPolarHBondContact O-CG 3.38Å; Q574-E578 PolarHBondContact O-N 3.32Å; I576-E578 VanDerWaalsContact C-N 3.3Å; I576-E578 PolarHBondContact O-N 2.84Å; E578-E580 VanDerWaalsContact C-N 3.31Å; E578-E580 PolarHBondContact O-N 2.81Å; E578-A581 WeakPolarHBondContact O-CA 2.9Å; E578-A581 VanDerWaalsContact O-CB 3.24Å; E578-A581 WeakPolarHBondContact O-CB 3.33Å; E578-A581 PolarHBondContact O-N 3.03Å; E578-L582 PolarHBondContact O-N 2.94Å |
| 579 | F | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 176.1 | 167.8 | -94.4 | 0 | 0 | 0 | 113 | I208 N210 L216 I227 I238 F267 V268 F269 R575 I576 A581 | I208-F579 HydrophobicContact CD1-CE2 4.14Å; I208-F579 HydrophobicContact CD1-CZ 4.34Å; N210-F579 HydrophobicContact CB-CD1 4.04Å; N210-F579 HydrophobicContact CB-CE1 3.34Å; N210-F579 HydrophobicContact CB-CE2 4.18Å; N210-F579 HydrophobicContact CB-CZ 3.43Å; N210-F579 VanDerWaalsContact CB-CZ 3.43Å; N210-F579 PolarHBondContact ND2-O 2.96Å; L216-F579 HydrophobicContact CD1-CD2 4.04Å; L216-F579 HydrophobicContact CD1-CE2 3.58Å; L216-F579 HydrophobicContact CD1-CZ 4.28Å; I227-F579 HydrophobicContact CD1-CD2 4.39Å; I227-F579 HydrophobicContact CD1-CE2 4.25Å; I227-F579 HydrophobicContact CG1-CD2 4.04Å; I227-F579 HydrophobicContact CG1-CE2 4.37Å; I227-F579 HydrophobicContact CG2-CD2 3.94Å; I227-F579 HydrophobicContact CG2-CE2 4.05Å; I238-F579 VanDerWaalsContact CD1-CA 3.43Å; I238-F579 HydrophobicContact CD1-CB 3.77Å; I238-F579 VanDerWaalsContact CD1-N 3.3Å; F267-F579 HydrophobicContact CD2-CD1 4.07Å; F267-F579 HydrophobicContact CD2-CE1 4.31Å; F267-F579 HydrophobicContact CD2-CG 4.37Å; F267-F579 HydrophobicContact CE2-CB 4.43Å; F267-F579 AromaticContact CE2-CD1 3.58Å; F267-F579 HydrophobicContact CE2-CD1 3.58Å; F267-F579 AromaticContact CE2-CD2 3.8Å; F267-F579 HydrophobicContact CE2-CD2 3.8Å; F267-F579 AromaticContact CE2-CE1 3.64Å; F267-F579 HydrophobicContact CE2-CE1 3.64Å; F267-F579 AromaticContact CE2-CE2 3.86Å; F267-F579 HydrophobicContact CE2-CE2 3.86Å; F267-F579 AromaticContact CE2-CG 3.65Å; F267-F579 HydrophobicContact CE2-CG 3.65Å; F267-F579 AromaticContact CE2-CZ 3.78Å; F267-F579 HydrophobicContact CE2-CZ 3.78Å; F267-F579 HydrophobicContact CZ-CD2 4.36Å; F267-F579 HydrophobicContact CZ-CE2 4.21Å; F267-F579 HydrophobicContact CZ-CZ 4.33Å; V268-F579 WeakPolarHBondContact O-CE1 3.43Å; F269-F579 HydrophobicContact CB-CE1 4.48Å; F269-F579 HydrophobicContact CB-CZ 3.88Å; R575-F579 PolarHBondContact O-N 3.22Å; R575-F579 VanDerWaalsContact O-N 3.16Å; I576-F579 WeakPolarHBondContact O-CB 3.4Å; I576-F579 PolarHBondContact O-N 2.85Å; F579-A581 VanDerWaalsContact C-N 3.28Å |
| 580 | E | 95.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.2 | 172.1 | -56.5 | -64 | 176.3 | 0 | 0 | 112.5 | K211 K212 I576 D577 E578 | K211-E580 WeakPolarHBondContact CB-OE2 3.37Å; K211-E580 WeakPolarHBondContact CG-OE1 3.11Å; K211-E580 WeakPolarHBondContact CG-OE2 3.48Å; K211-E580 PolarHBondContact N-OE2 3.19Å; K211-E580 IonicContact NZ-OE1 2.6Å; K211-E580 PolarHBondContact NZ-OE1 3.35Å; K212-E580 WeakPolarHBondContact CD-O 3.43Å; K212-E580 WeakPolarHBondContact CE-O 3.05Å; K212-E580 PolarHBondContact NZ-O 3.15Å; I576-E580 PolarHBondContact O-N 3Å; I576-E580 VanDerWaalsContact O-N 3.1Å; D577-E580 CarbonylContact O-C 3.59Å; D577-E580 PolarHBondContact O-N 2.79Å; E578-E580 VanDerWaalsContact C-N 3.31Å; E578-E580 PolarHBondContact O-N 2.81Å |
| 581 | A | 94.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -32.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K212 D577 E578 F579 | K212-A581 PolarHBondContact NZ-O 3.07Å; D577-A581 WeakPolarHBondContact O-CB 3.49Å; D577-A581 PolarHBondContact O-N 2.63Å; E578-A581 WeakPolarHBondContact O-CA 2.9Å; E578-A581 VanDerWaalsContact O-CB 3.24Å; E578-A581 WeakPolarHBondContact O-CB 3.33Å; E578-A581 PolarHBondContact O-N 3.03Å; F579-A581 VanDerWaalsContact C-N 3.28Å |
| 582 | L | 91.6 | Very high | 95.3 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 34% | 0.335 | 25% | 0.251 | S | S | . | . | trans | -55.7 | 0 | 167.9 | -57.2 | 174 | 0 | 0 | 0 | 112.4 | N210 K212 T214 L216 I238 E578 | N210-L582 PolarHBondContact ND2-OXT 2.72Å; K212-L582 VanDerWaalsContact CD-OXT 3.26Å; K212-L582 WeakPolarHBondContact CD-OXT 3.45Å; K212-L582 PolarHBondContact NZ-OXT 2.73Å; T214-L582 WeakPolarHBondContact CB-O 3.13Å; T214-L582 WeakPolarHBondContact CG2-O 3.3Å; T214-L582 VanDerWaalsContact OG1-C 3.29Å; T214-L582 PolarHBondContact OG1-O 3.33Å; T214-L582 PolarHBondContact OG1-OXT 2.64Å; T214-L582 VanDerWaalsContact OG1-OXT 3.12Å; L216-L582 HydrophobicContact CD1-CB 4.34Å; L216-L582 HydrophobicContact CD1-CD1 4.02Å; L216-L582 HydrophobicContact CD2-CB 4.44Å; L216-L582 HydrophobicContact CD2-CD1 3.98Å; I238-L582 HydrophobicContact CD1-CD1 4.04Å; E578-L582 PolarHBondContact O-N 2.94Å |
Retrieved 582 of 582 residues in 551.9 ms
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