| 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 | 68.3 | Low | 91 | Very high | 232 Ų | 232 | 73.4 Ų | 73.4 | 100% | 1.143 | 38% | 0.376 | S | S | * | . | 0 | 153.5 | 0 | -59.4 | 175.9 | -171.6 | 0 | 0 | 108.8 | |||||
| 2 | P | 74.4 | Confident | 91.5 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 58% | 0.578 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -59 | 145.8 | 165.8 | -16.5 | 30.5 | 0 | 0 | 0 | 109.9 | P22 | P2-P22 HydrophobicContact CB-CG 4.01Š|
| 3 | K | 85.9 | Confident | 91.5 | Very high | 181 Ų | 181 | 70.2 Ų | 70.2 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 133.4 | 169.1 | -70.8 | -171.3 | 177 | -174.7 | 0 | 108.9 | P22 | K3-P22 VanDerWaalsContact O-CG 3.29Å; K3-P22 WeakPolarHBondContact O-CG 3.27Å |
| 4 | P | 92.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 155.6 | 171.4 | 26.9 | -33.2 | 0 | 0 | 0 | 110.9 | A19 | P4-A19 HydrophobicContact CB-CB 4Š|
| 5 | I | 94.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 70.5 Ų | 70.5 | 23% | 0.226 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.2 | 175 | -57 | 174.8 | 0 | 0 | 0 | 107.2 | A19 I20 P22 L76 | I5-A19 WeakPolarHBondContact O-CA 3.17Å; I5-I20 HydrophobicContact CB-CG1 3.92Å; I5-I20 HydrophobicContact CG2-CG1 4.39Å; I5-I20 PolarHBondContact N-O 3.3Å; I5-I20 PolarHBondContact O-N 2.72Å; I5-P22 HydrophobicContact CD1-CB 4.29Å; I5-P22 HydrophobicContact CD1-CG 4.29Å; I5-P22 HydrophobicContact CG1-CG 4.43Å; I5-L76 HydrophobicContact CG2-CD1 3.53Å; I5-L76 HydrophobicContact CG2-CG 3.97Å |
| 6 | N | 96.6 | Very high | 92.3 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 138.8 | 176.9 | -57 | -30.4 | 0 | 0 | 0 | 110.1 | N74 P75 L76 | N6-N74 WeakPolarHBondContact CB-OD1 3.31Å; N6-N74 PolarHBondContact ND2-OD1 3.48Å; N6-P75 HydrophobicContact CB-CB 3.89Å; N6-P75 WeakPolarHBondContact O-CA 3.21Å; N6-L76 PolarHBondContact O-N 2.84Å |
| 7 | V | 97.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.1 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | V9 E17 F18 I20 L29 L76 F78 | V7-V9 HydrophobicContact CG1-CG2 3.97Å; V7-E17 WeakPolarHBondContact O-CA 3.47Å; V7-F18 PolarHBondContact N-O 2.96Å; V7-F18 PolarHBondContact O-N 2.83Å; V7-I20 HydrophobicContact CG2-CB 4.42Å; V7-I20 HydrophobicContact CG2-CD1 3.76Å; V7-I20 HydrophobicContact CG2-CG1 3.73Å; V7-I20 HydrophobicContact CG2-CG2 3.95Å; V7-L29 HydrophobicContact CG1-CD1 4.06Å; V7-L29 HydrophobicContact CG1-CD2 4.38Å; V7-L76 HydrophobicContact CG2-CB 4.45Å; V7-F78 HydrophobicContact CG1-CD2 3.53Å; V7-F78 HydrophobicContact CG1-CE2 3.69Å |
| 8 | R | 98.2 | Very high | 92.6 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.9 | 166.7 | -176.9 | -178.8 | -64 | -162.9 | 5.5 | 108.9 | E15 L16 E17 P75 L76 F78 | R8-E15 WeakPolarHBondContact CD-OE2 3.45Å; R8-E15 IonicContact CZ-OE2 3.77Å; R8-E15 IonicContact NE-OE2 2.6Å; R8-E15 IonicContact NH1-OE2 3.59Å; R8-E15 PolarHBondContact NH1-OE2 3.17Å; R8-L16 CarbonylContact C-O 3.57Å; R8-L16 WeakPolarHBondContact CA-O 3.16Å; R8-E17 HydrophobicContact CB-CG 4.17Å; R8-E17 HydrophobicContact CG-CG 4.08Å; R8-E17 IonicContact CZ-OE1 3.64Å; R8-E17 IonicContact NE-OE1 2.79Å; R8-E17 PolarHBondContact NE-OE1 3.11Å; R8-E17 IonicContact NH2-OE1 3.63Å; R8-E17 PolarHBondContact NH2-OE1 3.38Å; R8-P75 HydrophobicContact CB-CB 4.18Å; R8-P75 HydrophobicContact CB-CG 3.81Å; R8-L76 PolarHBondContact N-O 3.05Å; R8-F78 PolarHBondContact O-N 2.8Å |
| 9 | V | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | V7 L16 F18 L29 V33 L47 F78 F80 | V7-V9 HydrophobicContact CG1-CG2 3.97Å; V9-L16 HydrophobicContact CB-CB 4.44Å; V9-L16 PolarHBondContact N-O 3.23Å; V9-L16 PolarHBondContact O-N 3.08Å; V9-F18 HydrophobicContact CG2-CE1 4.27Å; V9-F18 HydrophobicContact CG2-CZ 4.2Å; V9-L29 HydrophobicContact CG2-CD1 4.4Å; V9-V33 HydrophobicContact CB-CG2 4.04Å; V9-V33 HydrophobicContact CG1-CG1 4.1Å; V9-V33 HydrophobicContact CG1-CG2 3.85Å; V9-V33 HydrophobicContact CG2-CG2 3.77Å; V9-L47 HydrophobicContact CG1-CD2 3.45Å; V9-L47 VanDerWaalsContact CG1-CD2 3.45Å; V9-L47 HydrophobicContact CG2-CD2 4.37Å; V9-F78 WeakPolarHBondContact CA-O 3.33Å; V9-F78 HydrophobicContact CG2-CB 4.31Å; V9-F80 HydrophobicContact CG1-CB 3.92Å |
| 10 | T | 98.2 | Very high | 92.9 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.8 | 176.1 | -48.1 | 0 | 0 | 0 | 0 | 109.3 | E15 F78 K79 F80 | T10-E15 HydrophobicContact CG2-CG 4.14Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.49Å; T10-E15 PolarHBondContact OG1-OE1 2.74Å; T10-F78 PolarHBondContact N-O 3.31Å; T10-K79 CarbonylContact O-C 3.57Å; T10-K79 WeakPolarHBondContact O-CA 3.49Å; T10-F80 PolarHBondContact O-N 2.92Å |
| 11 | T | 97.3 | Very high | 93 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -82.6 | -146.5 | 172.6 | 67.4 | 0 | 0 | 0 | 0 | 109.7 | D13 A14 I37 F80 R81 | T11-D13 PolarHBondContact OG1-N 3.24Å; T11-D13 PolarHBondContact OG1-OD1 2.69Å; T11-A14 PolarHBondContact N-O 3.46Å; T11-A14 PolarHBondContact OG1-N 2.87Å; T11-A14 PolarHBondContact OG1-O 3.27Å; T11-I37 HydrophobicContact CG2-CG2 4.48Å; T11-F80 HydrophobicContact CG2-CB 4.18Å; T11-F80 HydrophobicContact CG2-CD1 4.4Å; T11-R81 PolarHBondContact O-NH1 2.87Å | ||
| 12 | M | 96.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -90.4 | -14.1 | 164.5 | -64.8 | -55.3 | -44.2 | 0 | 0 | 113.3 | R81 L101 L104 Q105 E108 | M12-R81 PolarHBondContact SD-NE 3.07Å; M12-R81 PolarHBondContact SD-NH2 2.83Å; M12-L101 HydrophobicContact CB-CD2 3.79Å; M12-L101 HydrophobicContact CG-CD2 4.05Å; M12-L104 HydrophobicContact CB-CB 3.53Å; M12-L104 HydrophobicContact CB-CD1 3.71Å; M12-L104 HydrophobicContact CB-CG 4.28Å; M12-L104 HydrophobicContact CE-CB 4.04Å; M12-L104 HydrophobicContact CG-CB 3.88Å; M12-Q105 HydrophobicContact CE-CB 4.45Å; M12-Q105 HydrophobicContact CG-CB 4.15Å; M12-Q105 HydrophobicContact SD-CB 3.73Å; M12-Q105 HydrophobicContact SD-CG 4.24Å; M12-E108 HydrophobicContact CE-CB 4.05Å; M12-E108 WeakPolarHBondContact CE-OE2 3.45Å |
| 13 | D | 92.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 35% | 0.353 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -143 | -6.3 | -162.3 | 63.5 | -29.6 | 0 | 0 | 0 | 114.8 | T11 K100 L101 L104 | T11-D13 PolarHBondContact OG1-N 3.24Å; T11-D13 PolarHBondContact OG1-OD1 2.69Å; D13-K100 VanDerWaalsContact OD2-CE 3.25Å; D13-K100 WeakPolarHBondContact OD2-CE 3.35Å; D13-K100 IonicContact OD2-NZ 3.16Å; D13-K100 PolarHBondContact OD2-NZ 2.8Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.38Å; D13-L104 HydrophobicContact CB-CD1 3.86Å |
| 14 | A | 94.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | trans | -148.5 | 157.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T11 | T11-A14 PolarHBondContact N-O 3.46Å; T11-A14 PolarHBondContact OG1-N 2.87Å; T11-A14 PolarHBondContact OG1-O 3.27Å | ||
| 15 | E | 96.6 | Very high | 95.9 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 49% | 0.486 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.6 | 163 | -54.8 | -142.2 | 119.2 | 0 | 0 | 109.1 | R8 T10 | R8-E15 WeakPolarHBondContact CD-OE2 3.45Å; R8-E15 IonicContact CZ-OE2 3.77Å; R8-E15 IonicContact NE-OE2 2.6Å; R8-E15 IonicContact NH1-OE2 3.59Å; R8-E15 PolarHBondContact NH1-OE2 3.17Å; T10-E15 HydrophobicContact CG2-CG 4.14Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.49Å; T10-E15 PolarHBondContact OG1-OE1 2.74Å |
| 16 | L | 96.3 | Very high | 96 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.1 | 177 | -54.7 | 178.7 | 0 | 0 | 0 | 109 | R8 V9 F18 V33 T36 I37 | R8-L16 CarbonylContact C-O 3.57Å; R8-L16 WeakPolarHBondContact CA-O 3.16Å; V9-L16 HydrophobicContact CB-CB 4.44Å; V9-L16 PolarHBondContact N-O 3.23Å; V9-L16 PolarHBondContact O-N 3.08Å; L16-F18 HydrophobicContact CB-CD1 4.34Å; L16-F18 HydrophobicContact CB-CE1 4.07Å; L16-V33 HydrophobicContact CD1-CG1 4.2Å; L16-T36 HydrophobicContact CD1-CG2 3.88Å; L16-T36 HydrophobicContact CD2-CG2 3.8Å; L16-T36 HydrophobicContact CG-CG2 4.48Å; L16-I37 HydrophobicContact CD1-CG2 4.2Å |
| 17 | E | 96.1 | Very high | 96.1 | Very high | 115 Ų | 115 | 46.5 Ų | 46.5 | 54% | 0.537 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.3 | 172.3 | -67.2 | -156.8 | 149 | 0 | 0 | 111.5 | V7 R8 | V7-E17 WeakPolarHBondContact O-CA 3.47Å; R8-E17 HydrophobicContact CB-CG 4.17Å; R8-E17 HydrophobicContact CG-CG 4.08Å; R8-E17 IonicContact CZ-OE1 3.64Å; R8-E17 IonicContact NE-OE1 2.79Å; R8-E17 PolarHBondContact NE-OE1 3.11Å; R8-E17 IonicContact NH2-OE1 3.63Å; R8-E17 PolarHBondContact NH2-OE1 3.38Å |
| 18 | F | 94.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 51.5 Ų | 51.5 | 23% | 0.232 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 163 | 174.7 | 50.1 | -87.8 | 0 | 0 | 0 | 112.1 | V7 V9 L16 I20 L29 Q32 V33 | V7-F18 PolarHBondContact N-O 2.96Å; V7-F18 PolarHBondContact O-N 2.83Å; V9-F18 HydrophobicContact CG2-CE1 4.27Å; V9-F18 HydrophobicContact CG2-CZ 4.2Å; L16-F18 HydrophobicContact CB-CD1 4.34Å; L16-F18 HydrophobicContact CB-CE1 4.07Å; F18-I20 HydrophobicContact CD2-CG2 3.96Å; F18-I20 HydrophobicContact CE2-CG2 3.89Å; F18-L29 HydrophobicContact CE2-CD1 3.41Å; F18-L29 VanDerWaalsContact CE2-CD1 3.41Å; F18-L29 HydrophobicContact CZ-CD1 3.48Å; F18-L29 VanDerWaalsContact CZ-CD1 3.48Å; F18-Q32 HydrophobicContact CD2-CG 4.44Å; F18-Q32 HydrophobicContact CE1-CG 4.5Å; F18-Q32 HydrophobicContact CE2-CB 4.48Å; F18-Q32 HydrophobicContact CE2-CG 3.96Å; F18-Q32 HydrophobicContact CZ-CB 4.47Å; F18-Q32 HydrophobicContact CZ-CG 4Å; F18-V33 HydrophobicContact CE1-CG2 4.33Å; F18-V33 HydrophobicContact CZ-CG2 4Å |
| 19 | A | 95.4 | Very high | 96 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 51% | 0.512 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P4 I5 | P4-A19 HydrophobicContact CB-CB 4Å; I5-A19 WeakPolarHBondContact O-CA 3.17Å |
| 20 | I | 95.7 | Very high | 96 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 160.7 | 170.1 | 72.3 | 171.5 | 0 | 0 | 0 | 111.4 | I5 V7 F18 T24 L29 V65 | I5-I20 HydrophobicContact CB-CG1 3.92Å; I5-I20 HydrophobicContact CG2-CG1 4.39Å; I5-I20 PolarHBondContact N-O 3.3Å; I5-I20 PolarHBondContact O-N 2.72Å; V7-I20 HydrophobicContact CG2-CB 4.42Å; V7-I20 HydrophobicContact CG2-CD1 3.76Å; V7-I20 HydrophobicContact CG2-CG1 3.73Å; V7-I20 HydrophobicContact CG2-CG2 3.95Å; F18-I20 HydrophobicContact CD2-CG2 3.96Å; F18-I20 HydrophobicContact CE2-CG2 3.89Å; I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.36Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; I20-L29 HydrophobicContact CG2-CD1 4.2Å; I20-V65 HydrophobicContact CD1-CB 3.84Å; I20-V65 HydrophobicContact CD1-CG1 3.97Å; I20-V65 HydrophobicContact CD1-CG2 4.02Å |
| 21 | Q | 95.1 | Very high | 96 | Very high | 94 Ų | 94 | 49 Ų | 49 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 152.4 | 173.9 | -66.6 | -65.2 | -21.3 | 0 | 0 | 110.7 | N23 T24 | Q21-N23 WeakPolarHBondContact CB-OD1 3.44Å; Q21-N23 PolarHBondContact O-N 3.4Å; Q21-T24 PolarHBondContact N-OG1 2.73Å; Q21-T24 VanDerWaalsContact N-OG1 3.12Å; Q21-T24 VanDerWaalsContact O-CB 3.29Å; Q21-T24 WeakPolarHBondContact O-CB 3.41Å; Q21-T24 PolarHBondContact O-N 2.78Å; Q21-T24 PolarHBondContact O-OG1 3.17Å; Q21-T24 VanDerWaalsContact O-OG1 3.11Å |
| 22 | P | 92.8 | Very high | 96 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.9 | 179.6 | -27.8 | 37 | 0 | 0 | 0 | 115.7 | P2 K3 I5 S66 | P2-P22 HydrophobicContact CB-CG 4.01Å; K3-P22 VanDerWaalsContact O-CG 3.29Å; K3-P22 WeakPolarHBondContact O-CG 3.27Å; I5-P22 HydrophobicContact CD1-CB 4.29Å; I5-P22 HydrophobicContact CD1-CG 4.29Å; I5-P22 HydrophobicContact CG1-CG 4.43Å; P22-S66 PolarHBondContact O-OG 2.76Å |
| 23 | N | 94.3 | Very high | 96 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 52% | 0.524 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.3 | 174.9 | 65.6 | -24.9 | 0 | 0 | 0 | 114.5 | Q21 T25 | Q21-N23 WeakPolarHBondContact CB-OD1 3.44Å; Q21-N23 PolarHBondContact O-N 3.4Å; N23-T25 PolarHBondContact O-N 3.32Å |
| 24 | T | 96.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | trans | -57.7 | 131.1 | -176.5 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | I20 Q21 Q28 L29 K64 V65 | I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.36Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; Q21-T24 PolarHBondContact N-OG1 2.73Å; Q21-T24 VanDerWaalsContact N-OG1 3.12Å; Q21-T24 VanDerWaalsContact O-CB 3.29Å; Q21-T24 WeakPolarHBondContact O-CB 3.41Å; Q21-T24 PolarHBondContact O-N 2.78Å; Q21-T24 PolarHBondContact O-OG1 3.17Å; Q21-T24 VanDerWaalsContact O-OG1 3.11Å; T24-Q28 HydrophobicContact CG2-CB 3.79Å; T24-L29 HydrophobicContact CG2-CB 4.46Å; T24-K64 CarbonylContact O-C 3.47Å; T24-K64 WeakPolarHBondContact O-CA 3.42Å; T24-V65 PolarHBondContact O-N 3.49Å | ||
| 25 | T | 97.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 161 | 177.6 | 68 | 0 | 0 | 0 | 0 | 112.3 | N23 K27 Q28 L29 K63 | N23-T25 PolarHBondContact O-N 3.32Å; T25-K27 PolarHBondContact O-N 2.85Å; T25-Q28 PolarHBondContact O-N 3.31Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.46Å; T25-Q28 PolarHBondContact OG1-N 3.05Å; T25-Q28 VanDerWaalsContact OG1-N 3.1Å; T25-Q28 PolarHBondContact OG1-OE1 2.78Å; T25-L29 PolarHBondContact O-N 2.72Å; T25-K63 CarbonylContact C-O 3.58Å |
| 26 | G | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -34.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F30 K63 | G26-F30 VanDerWaalsContact O-CB 3.22Å; G26-F30 WeakPolarHBondContact O-CB 3.14Å; G26-F30 PolarHBondContact O-N 3.48Å; G26-K63 PolarHBondContact N-O 3.04Å |
| 27 | K | 97.6 | Very high | 96.2 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 172.3 | -167.5 | 175.6 | -170.4 | -77.4 | 0 | 110.9 | T25 L29 F30 D31 L61 E495 P496 | T25-K27 PolarHBondContact O-N 2.85Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 3.25Å; K27-F30 PolarHBondContact O-N 2.57Å; K27-F30 VanDerWaalsContact O-N 3.16Å; K27-D31 WeakPolarHBondContact CG-OD1 2.97Å; K27-D31 WeakPolarHBondContact CG-OD2 3.07Å; K27-D31 IonicContact NZ-OD1 2.66Å; K27-D31 PolarHBondContact NZ-OD1 3.01Å; K27-D31 IonicContact NZ-OD2 2.86Å; K27-D31 PolarHBondContact NZ-OD2 2.88Å; K27-D31 VanDerWaalsContact O-CB 3.28Å; K27-D31 WeakPolarHBondContact O-CB 3.32Å; K27-D31 PolarHBondContact O-N 2.92Å; K27-L61 HydrophobicContact CB-CB 4.05Å; K27-L61 PolarHBondContact N-O 2.82Å; K27-E495 WeakPolarHBondContact CE-O 3.4Å; K27-E495 PolarHBondContact NZ-O 3.33Å; K27-P496 HydrophobicContact CD-CB 4.39Å |
| 28 | Q | 97.5 | Very high | 96.2 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 179.3 | -74.1 | 169.9 | -34 | 0 | 0 | 113 | T24 T25 Q32 | T24-Q28 HydrophobicContact CG2-CB 3.79Å; T25-Q28 PolarHBondContact O-N 3.31Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.46Å; T25-Q28 PolarHBondContact OG1-N 3.05Å; T25-Q28 VanDerWaalsContact OG1-N 3.1Å; T25-Q28 PolarHBondContact OG1-OE1 2.78Å; Q28-Q32 WeakPolarHBondContact O-CB 3.27Å; Q28-Q32 PolarHBondContact O-N 3.45Å; Q28-Q32 VanDerWaalsContact O-N 3.12Å |
| 29 | L | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 175 | 174.4 | 57.9 | 0 | 0 | 0 | 111.8 | V7 V9 F18 I20 T24 T25 K27 V33 L47 L59 V65 F78 | V7-L29 HydrophobicContact CG1-CD1 4.06Å; V7-L29 HydrophobicContact CG1-CD2 4.38Å; V9-L29 HydrophobicContact CG2-CD1 4.4Å; F18-L29 HydrophobicContact CE2-CD1 3.41Å; F18-L29 VanDerWaalsContact CE2-CD1 3.41Å; F18-L29 HydrophobicContact CZ-CD1 3.48Å; F18-L29 VanDerWaalsContact CZ-CD1 3.48Å; I20-L29 HydrophobicContact CG2-CD1 4.2Å; T24-L29 HydrophobicContact CG2-CB 4.46Å; T25-L29 PolarHBondContact O-N 2.72Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 3.25Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.01Å; L29-L47 HydrophobicContact CD2-CD1 4.09Å; L29-L47 HydrophobicContact CG-CD1 3.74Å; L29-L59 HydrophobicContact CD2-CD2 3.88Å; L29-L59 HydrophobicContact CG-CD2 4.45Å; L29-V65 HydrophobicContact CB-CG2 4.03Å; L29-V65 HydrophobicContact CD2-CG1 4.1Å; L29-V65 HydrophobicContact CD2-CG2 3.75Å; L29-F78 HydrophobicContact CD2-CD2 4.4Å; L29-F78 HydrophobicContact CD2-CE1 4.42Å; L29-F78 HydrophobicContact CD2-CE2 4.08Å; L29-F78 HydrophobicContact CD2-CZ 4.11Å |
| 30 | F | 98.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.1 | -47.9 | 178.3 | 179 | -84.9 | 0 | 0 | 0 | 112.3 | G26 K27 Q32 V33 V34 V42 F45 L47 L61 F80 | G26-F30 VanDerWaalsContact O-CB 3.22Å; G26-F30 WeakPolarHBondContact O-CB 3.14Å; G26-F30 PolarHBondContact O-N 3.48Å; K27-F30 PolarHBondContact O-N 2.57Å; K27-F30 VanDerWaalsContact O-N 3.16Å; F30-Q32 VanDerWaalsContact C-N 3.26Å; F30-Q32 PolarHBondContact O-N 2.86Å; F30-V33 WeakPolarHBondContact O-CB 3.38Å; F30-V33 PolarHBondContact O-N 2.99Å; F30-V33 VanDerWaalsContact O-N 3.07Å; F30-V34 HydrophobicContact CD1-CG1 4.15Å; F30-V34 HydrophobicContact CD1-CG2 4.41Å; F30-V34 HydrophobicContact CE1-CG1 3.66Å; F30-V34 HydrophobicContact CE1-CG2 4.22Å; F30-V34 HydrophobicContact CE2-CG1 4.26Å; F30-V34 HydrophobicContact CZ-CG1 3.73Å; F30-V34 PolarHBondContact O-N 2.8Å; F30-V42 HydrophobicContact CE1-CB 3.78Å; F30-V42 HydrophobicContact CE1-CG1 3.9Å; F30-V42 HydrophobicContact CZ-CB 3.98Å; F30-V42 HydrophobicContact CZ-CG1 4.36Å; F30-F45 HydrophobicContact CE2-CB 4.17Å; F30-F45 HydrophobicContact CZ-CB 4.28Å; F30-L47 HydrophobicContact CB-CD1 4.13Å; F30-L47 HydrophobicContact CD2-CD1 4.45Å; F30-L47 HydrophobicContact CD2-CG 4.28Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.33Å; F30-L61 HydrophobicContact CG-CD2 4.03Å; F30-F80 HydrophobicContact CD2-CE2 4.2Å; F30-F80 HydrophobicContact CE2-CD2 4.47Å; F30-F80 AromaticContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CZ-CE2 4.21Å |
| 31 | D | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.5 | -40.5 | 177.3 | -71 | -0.3 | 0 | 0 | 0 | 111 | K27 K35 | K27-D31 WeakPolarHBondContact CG-OD1 2.97Å; K27-D31 WeakPolarHBondContact CG-OD2 3.07Å; K27-D31 IonicContact NZ-OD1 2.66Å; K27-D31 PolarHBondContact NZ-OD1 3.01Å; K27-D31 IonicContact NZ-OD2 2.86Å; K27-D31 PolarHBondContact NZ-OD2 2.88Å; K27-D31 VanDerWaalsContact O-CB 3.28Å; K27-D31 WeakPolarHBondContact O-CB 3.32Å; K27-D31 PolarHBondContact O-N 2.92Å; D31-K35 VanDerWaalsContact O-CB 3.32Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 VanDerWaalsContact O-CG 3.29Å; D31-K35 WeakPolarHBondContact O-CG 3.4Å; D31-K35 PolarHBondContact O-N 2.95Å |
| 32 | Q | 96.7 | Very high | 96.5 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.7 | -177.5 | 61 | 60 | 0 | 0 | 111.8 | F18 Q28 F30 T36 | F18-Q32 HydrophobicContact CD2-CG 4.44Å; F18-Q32 HydrophobicContact CE1-CG 4.5Å; F18-Q32 HydrophobicContact CE2-CB 4.48Å; F18-Q32 HydrophobicContact CE2-CG 3.96Å; F18-Q32 HydrophobicContact CZ-CB 4.47Å; F18-Q32 HydrophobicContact CZ-CG 4Å; Q28-Q32 WeakPolarHBondContact O-CB 3.27Å; Q28-Q32 PolarHBondContact O-N 3.45Å; Q28-Q32 VanDerWaalsContact O-N 3.12Å; F30-Q32 VanDerWaalsContact C-N 3.26Å; F30-Q32 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact NE2-OG1 2.77Å; Q32-T36 WeakPolarHBondContact O-CB 3.5Å; Q32-T36 PolarHBondContact O-N 2.88Å; Q32-T36 PolarHBondContact O-OG1 3.13Å |
| 33 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V9 L16 F18 L29 F30 K35 T36 I37 L47 F80 | V9-V33 HydrophobicContact CB-CG2 4.04Å; V9-V33 HydrophobicContact CG1-CG1 4.1Å; V9-V33 HydrophobicContact CG1-CG2 3.85Å; V9-V33 HydrophobicContact CG2-CG2 3.77Å; L16-V33 HydrophobicContact CD1-CG1 4.2Å; F18-V33 HydrophobicContact CE1-CG2 4.33Å; F18-V33 HydrophobicContact CZ-CG2 4Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.01Å; F30-V33 WeakPolarHBondContact O-CB 3.38Å; F30-V33 PolarHBondContact O-N 2.99Å; F30-V33 VanDerWaalsContact O-N 3.07Å; V33-K35 PolarHBondContact O-N 3.05Å; V33-T36 PolarHBondContact O-N 3.44Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.29Å; V33-L47 HydrophobicContact CG2-CD2 4.49Å; V33-F80 HydrophobicContact CG1-CB 4.41Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.05Å; V33-F80 HydrophobicContact CG1-CG 4.07Å |
| 34 | V | 97.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -34.9 | -175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | F30 I37 G38 L39 V42 F80 | F30-V34 HydrophobicContact CD1-CG1 4.15Å; F30-V34 HydrophobicContact CD1-CG2 4.41Å; F30-V34 HydrophobicContact CE1-CG1 3.66Å; F30-V34 HydrophobicContact CE1-CG2 4.22Å; F30-V34 HydrophobicContact CE2-CG1 4.26Å; F30-V34 HydrophobicContact CZ-CG1 3.73Å; F30-V34 PolarHBondContact O-N 2.8Å; V34-I37 PolarHBondContact O-N 2.74Å; V34-G38 PolarHBondContact O-N 3.12Å; V34-L39 HydrophobicContact CB-CB 4.43Å; V34-L39 HydrophobicContact CG1-CD2 4.34Å; V34-L39 PolarHBondContact O-N 2.81Å; V34-V42 HydrophobicContact CB-CG1 4.16Å; V34-V42 HydrophobicContact CG1-CG1 4.17Å; V34-V42 HydrophobicContact CG2-CG1 3.88Å; V34-F80 HydrophobicContact CG1-CE2 3.6Å; V34-F80 HydrophobicContact CG1-CZ 3.67Å |
| 35 | K | 95.9 | Very high | 96.8 | Very high | 155 Ų | 155 | 41.6 Ų | 41.6 | 67% | 0.674 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.9 | -42.7 | 171.1 | -74.4 | -174.2 | 176.4 | -162.5 | 0 | 112.1 | D31 V33 I37 G38 | D31-K35 VanDerWaalsContact O-CB 3.32Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 VanDerWaalsContact O-CG 3.29Å; D31-K35 WeakPolarHBondContact O-CG 3.4Å; D31-K35 PolarHBondContact O-N 2.95Å; V33-K35 PolarHBondContact O-N 3.05Å; K35-I37 PolarHBondContact O-N 3.37Å; K35-G38 PolarHBondContact O-N 3.45Å |
| 36 | T | 95.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 40 Ų | 40 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.2 | -25.4 | 177.9 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | L16 Q32 V33 | L16-T36 HydrophobicContact CD1-CG2 3.88Å; L16-T36 HydrophobicContact CD2-CG2 3.8Å; L16-T36 HydrophobicContact CG-CG2 4.48Å; Q32-T36 PolarHBondContact NE2-OG1 2.77Å; Q32-T36 WeakPolarHBondContact O-CB 3.5Å; Q32-T36 PolarHBondContact O-N 2.88Å; Q32-T36 PolarHBondContact O-OG1 3.13Å; V33-T36 PolarHBondContact O-N 3.44Å |
| 37 | I | 95.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 40 Ų | 40 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 3.4 | 176.8 | 68.8 | 176.6 | 0 | 0 | 0 | 114.5 | T11 L16 V33 V34 K35 L39 F80 L101 | T11-I37 HydrophobicContact CG2-CG2 4.48Å; L16-I37 HydrophobicContact CD1-CG2 4.2Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.29Å; V34-I37 PolarHBondContact O-N 2.74Å; K35-I37 PolarHBondContact O-N 3.37Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CD1-CB 3.97Å; I37-L39 HydrophobicContact CD1-CD1 4.25Å; I37-L39 HydrophobicContact CG1-CB 3.81Å; I37-L39 PolarHBondContact O-N 3.38Å; I37-F80 HydrophobicContact CD1-CD1 4.35Å; I37-F80 HydrophobicContact CD1-CE1 3.87Å; I37-F80 HydrophobicContact CD1-CZ 4.25Å; I37-L101 HydrophobicContact CD1-CD1 4.02Å |
| 38 | G | 95.2 | Very high | 96.8 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 46% | 0.464 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | V34 K35 Q95 | V34-G38 PolarHBondContact O-N 3.12Å; K35-G38 PolarHBondContact O-N 3.45Å; G38-Q95 PolarHBondContact O-NE2 2.86Å |
| 39 | L | 96.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -92.7 | 124.9 | -174.4 | -171.3 | 148.3 | 0 | 0 | 0 | 112.1 | V34 I37 V42 F45 F80 I97 L101 | V34-L39 HydrophobicContact CB-CB 4.43Å; V34-L39 HydrophobicContact CG1-CD2 4.34Å; V34-L39 PolarHBondContact O-N 2.81Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CD1-CB 3.97Å; I37-L39 HydrophobicContact CD1-CD1 4.25Å; I37-L39 HydrophobicContact CG1-CB 3.81Å; I37-L39 PolarHBondContact O-N 3.38Å; L39-V42 HydrophobicContact CD2-CG1 4.2Å; L39-F45 HydrophobicContact CD1-CD2 4.07Å; L39-F45 HydrophobicContact CD1-CE2 3.6Å; L39-F45 HydrophobicContact CD1-CZ 3.87Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.99Å; L39-F45 HydrophobicContact CG-CE2 4.37Å; L39-F80 HydrophobicContact CD1-CE1 4.41Å; L39-I97 HydrophobicContact CB-CG2 4.22Å; L39-I97 HydrophobicContact CD1-CG1 4.5Å; L39-I97 HydrophobicContact CD1-CG2 4.5Å; L39-I97 HydrophobicContact CG-CG2 4.49Å; L39-L101 HydrophobicContact CD1-CD1 3.82Å | ||
| 40 | R | 96.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | trans | -106.5 | -23.4 | 178.6 | -62.2 | 178.5 | 63 | 177.7 | 2.3 | 113.3 | V42 E301 M305 | R40-V42 PolarHBondContact O-N 3.39Å; R40-E301 IonicContact CZ-OE1 3.4Å; R40-E301 IonicContact NE-OE1 2.61Å; R40-E301 IonicContact NH2-OE1 3.39Å; R40-E301 PolarHBondContact NH2-OE1 3.03Å; R40-M305 HydrophobicContact CB-CE 3.61Å; R40-M305 HydrophobicContact CB-SD 3.97Å; R40-M305 VanDerWaalsContact CZ-CG 3.48Å | ||
| 41 | E | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -76.1 | 46.3 | 177.7 | -61.4 | 171.7 | -95.8 | 0 | 0 | 112.9 | W43 Y44 F45 I94 Q95 T98 M305 | E41-W43 HydrophobicContact CB-CH2 4.16Å; E41-W43 HydrophobicContact CB-CZ2 3.92Å; E41-W43 HydrophobicContact CG-CH2 3.93Å; E41-W43 HydrophobicContact CG-CZ2 3.81Å; E41-W43 PolarHBondContact O-N 2.67Å; E41-Y44 HydrophobicContact CB-CD2 4.15Å; E41-Y44 HydrophobicContact CB-CE2 4.27Å; E41-Y44 PolarHBondContact O-N 3.47Å; E41-F45 WeakPolarHBondContact O-CD2 3.44Å; E41-I94 HydrophobicContact CG-CB 4.45Å; E41-I94 HydrophobicContact CG-CD1 4.49Å; E41-I94 PolarHBondContact OE1-N 2.85Å; E41-I94 PolarHBondContact OE2-N 3.04Å; E41-Q95 WeakPolarHBondContact OE1-CB 3.42Å; E41-Q95 WeakPolarHBondContact OE1-CG 3.22Å; E41-Q95 PolarHBondContact OE1-N 2.8Å; E41-T98 HydrophobicContact CB-CG2 4.03Å; E41-T98 HydrophobicContact CG-CG2 4.49Å; E41-T98 WeakPolarHBondContact OE1-CB 3.22Å; E41-T98 WeakPolarHBondContact OE1-CG2 3.41Å; E41-T98 PolarHBondContact OE1-OG1 2.93Å; E41-M305 HydrophobicContact CG-CE 3.54Å | ||
| 42 | V | 96.5 | Very high | 95.9 | Very high | 53 Ų | 53 | 41 Ų | 41 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -57.2 | -25.3 | -169.7 | -66.4 | 0 | 0 | 0 | 0 | 114.2 | F30 V34 L39 R40 Y44 F45 | F30-V42 HydrophobicContact CE1-CB 3.78Å; F30-V42 HydrophobicContact CE1-CG1 3.9Å; F30-V42 HydrophobicContact CZ-CB 3.98Å; F30-V42 HydrophobicContact CZ-CG1 4.36Å; V34-V42 HydrophobicContact CB-CG1 4.16Å; V34-V42 HydrophobicContact CG1-CG1 4.17Å; V34-V42 HydrophobicContact CG2-CG1 3.88Å; L39-V42 HydrophobicContact CD2-CG1 4.2Å; R40-V42 PolarHBondContact O-N 3.39Å; V42-Y44 PolarHBondContact O-N 2.63Å; V42-F45 PolarHBondContact O-N 3.25Å |
| 43 | W | 95.4 | Very high | 95.5 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 17% | 0.167 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -66.9 | -18.3 | -172.9 | 54.6 | 78.9 | 0 | 0 | 0 | 114.3 | E41 F84 L290 R293 V302 M305 | E41-W43 HydrophobicContact CB-CH2 4.16Å; E41-W43 HydrophobicContact CB-CZ2 3.92Å; E41-W43 HydrophobicContact CG-CH2 3.93Å; E41-W43 HydrophobicContact CG-CZ2 3.81Å; E41-W43 PolarHBondContact O-N 2.67Å; W43-F84 WeakPolarHBondContact O-CD2 3.4Å; W43-L290 HydrophobicContact CB-CD2 4.09Å; W43-L290 HydrophobicContact CG-CD2 4.03Å; W43-R293 VanDerWaalsContact CE3-NH1 3.34Å; W43-V302 HydrophobicContact CH2-CG2 4.19Å; W43-M305 HydrophobicContact CH2-CE 4.13Å; W43-M305 HydrophobicContact CH2-SD 4.4Å |
| 44 | Y | 97.7 | Very high | 95 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -80 | -25.1 | 172.1 | -62.5 | -58.9 | 0 | 0 | 0 | 113.7 | E41 V42 K83 F84 P86 E92 L93 T98 F102 | E41-Y44 HydrophobicContact CB-CD2 4.15Å; E41-Y44 HydrophobicContact CB-CE2 4.27Å; E41-Y44 PolarHBondContact O-N 3.47Å; V42-Y44 PolarHBondContact O-N 2.63Å; Y44-K83 PolarHBondContact O-N 3.32Å; Y44-F84 PolarHBondContact O-N 2.69Å; Y44-P86 HydrophobicContact CE1-CB 4.42Å; Y44-E92 WeakPolarHBondContact OH-CB 3.3Å; Y44-E92 PolarHBondContact OH-O 3.32Å; Y44-E92 PolarHBondContact OH-OE2 2.96Å; Y44-E92 VanDerWaalsContact OH-OE2 3.09Å; Y44-L93 HydrophobicContact CD2-CD2 4.49Å; Y44-L93 HydrophobicContact CE2-CD2 3.95Å; Y44-T98 HydrophobicContact CD2-CG2 4.22Å; Y44-F102 HydrophobicContact CD1-CE2 4.34Å; Y44-F102 AromaticContact CD1-CZ 3.97Å; Y44-F102 HydrophobicContact CD1-CZ 3.97Å; Y44-F102 AromaticContact CD2-CE2 3.75Å; Y44-F102 HydrophobicContact CD2-CE2 3.75Å; Y44-F102 HydrophobicContact CD2-CZ 4.22Å; Y44-F102 HydrophobicContact CE2-CE2 4.43Å; Y44-F102 AromaticContact CG-CE2 3.7Å; Y44-F102 HydrophobicContact CG-CE2 3.7Å; Y44-F102 AromaticContact CG-CZ 3.7Å; Y44-F102 HydrophobicContact CG-CZ 3.7Å |
| 45 | F | 98.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 165.6 | -160.4 | -64.6 | -87.1 | 0 | 0 | 0 | 114.3 | F30 L39 E41 V42 F80 R81 A82 T98 L101 F102 | F30-F45 HydrophobicContact CE2-CB 4.17Å; F30-F45 HydrophobicContact CZ-CB 4.28Å; L39-F45 HydrophobicContact CD1-CD2 4.07Å; L39-F45 HydrophobicContact CD1-CE2 3.6Å; L39-F45 HydrophobicContact CD1-CZ 3.87Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.99Å; L39-F45 HydrophobicContact CG-CE2 4.37Å; E41-F45 WeakPolarHBondContact O-CD2 3.44Å; V42-F45 PolarHBondContact O-N 3.25Å; F45-F80 HydrophobicContact CB-CE1 3.96Å; F45-F80 HydrophobicContact CB-CE2 3.8Å; F45-F80 HydrophobicContact CB-CZ 3.39Å; F45-F80 HydrophobicContact CD1-CD1 4.01Å; F45-F80 AromaticContact CD1-CE1 3.32Å; F45-F80 HydrophobicContact CD1-CE1 3.32Å; F45-F80 AromaticContact CD1-CZ 3.71Å; F45-F80 HydrophobicContact CD1-CZ 3.71Å; F45-F80 HydrophobicContact CD2-CE1 4.42Å; F45-F80 HydrophobicContact CD2-CZ 4.21Å; F45-F80 AromaticContact CE1-CE1 3.92Å; F45-F80 HydrophobicContact CE1-CE1 3.92Å; F45-F80 AromaticContact CG-CE1 3.64Å; F45-F80 HydrophobicContact CG-CE1 3.64Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.49Å; F45-F80 HydrophobicContact CG-CZ 3.49Å; F45-F80 VanDerWaalsContact CG-CZ 3.49Å; F45-R81 WeakPolarHBondContact CA-O 3.22Å; F45-A82 HydrophobicContact CD1-CB 4.27Å; F45-A82 HydrophobicContact CE1-CB 4.08Å; F45-T98 HydrophobicContact CE2-CG2 3.93Å; F45-T98 HydrophobicContact CZ-CG2 4.09Å; F45-L101 HydrophobicContact CE1-CB 4.01Å; F45-L101 HydrophobicContact CE1-CD1 4.07Å; F45-L101 HydrophobicContact CZ-CB 4.21Å; F45-L101 HydrophobicContact CZ-CD1 4.34Å; F45-F102 HydrophobicContact CE2-CE2 4.38Å; F45-F102 HydrophobicContact CZ-CD2 4.17Å; F45-F102 HydrophobicContact CZ-CE2 4.04Å |
| 46 | G | 97.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 170.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R81 | G46-R81 PolarHBondContact N-O 3.14Å; G46-R81 PolarHBondContact O-N 3.49Å; G46-R81 VanDerWaalsContact O-N 3.11Å |
| 47 | L | 97.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.2 | 169.2 | -69.7 | 167.6 | 0 | 0 | 0 | 109 | V9 L29 F30 V33 L59 F78 F80 | V9-L47 HydrophobicContact CG1-CD2 3.45Å; V9-L47 VanDerWaalsContact CG1-CD2 3.45Å; V9-L47 HydrophobicContact CG2-CD2 4.37Å; L29-L47 HydrophobicContact CD2-CD1 4.09Å; L29-L47 HydrophobicContact CG-CD1 3.74Å; F30-L47 HydrophobicContact CB-CD1 4.13Å; F30-L47 HydrophobicContact CD2-CD1 4.45Å; F30-L47 HydrophobicContact CD2-CG 4.28Å; V33-L47 HydrophobicContact CG2-CD2 4.49Å; L47-L59 HydrophobicContact CB-CB 3.96Å; L47-L59 HydrophobicContact CB-CD2 4.03Å; L47-L59 HydrophobicContact CD1-CD2 3.73Å; L47-L59 WeakPolarHBondContact O-CB 3.41Å; L47-L59 PolarHBondContact O-N 3Å; L47-F78 HydrophobicContact CB-CD1 4.18Å; L47-F78 HydrophobicContact CD2-CB 4.18Å; L47-F80 HydrophobicContact CD2-CB 4.08Å; L47-F80 HydrophobicContact CD2-CD2 3.96Å; L47-F80 HydrophobicContact CG-CD2 4.46Å |
| 48 | Q | 96.9 | Very high | 94 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.8 | 174 | -170.6 | -172.8 | 77.7 | 0 | 0 | 109.8 | T57 W58 F78 K79 | Q48-T57 CarbonylContact C-O 3.59Å; Q48-T57 VanDerWaalsContact CA-O 3.28Å; Q48-T57 WeakPolarHBondContact CA-O 3.49Å; Q48-W58 HydrophobicContact CB-CD2 4.47Å; Q48-W58 HydrophobicContact CB-CE3 3.97Å; Q48-W58 HydrophobicContact CB-CH2 4.39Å; Q48-W58 HydrophobicContact CB-CZ3 3.92Å; Q48-F78 CarbonylContact O-C 3.49Å; Q48-F78 VanDerWaalsContact O-CA 3.27Å; Q48-F78 WeakPolarHBondContact O-CA 3.38Å; Q48-K79 PolarHBondContact N-O 2.84Å; Q48-K79 PolarHBondContact O-N 3.02Å |
| 49 | Y | 96 | Very high | 94.1 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 165.1 | 174.7 | 65.5 | -81.1 | 0 | 0 | 0 | 111 | D51 P56 T57 L59 Q68 V70 F78 | Y49-D51 HydrophobicContact CE2-CB 4.09Å; Y49-P56 CarbonylContact O-C 3.56Å; Y49-P56 WeakPolarHBondContact O-CA 3.49Å; Y49-T57 WeakPolarHBondContact CD1-O 3.4Å; Y49-T57 HydrophobicContact CE1-CG2 3.87Å; Y49-T57 HydrophobicContact CE2-CG2 4.27Å; Y49-T57 PolarHBondContact N-O 2.98Å; Y49-T57 PolarHBondContact O-N 2.6Å; Y49-T57 VanDerWaalsContact OH-CG2 3.26Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.28Å; Y49-L59 HydrophobicContact CD1-CB 4.29Å; Y49-L59 HydrophobicContact CE1-CB 4.25Å; Y49-L59 HydrophobicContact CE1-CD1 4.39Å; Y49-Q68 PolarHBondContact OH-O 3.11Å; Y49-V70 HydrophobicContact CD2-CB 4.02Å; Y49-V70 HydrophobicContact CD2-CG1 3.91Å; Y49-V70 HydrophobicContact CD2-CG2 3.81Å; Y49-V70 HydrophobicContact CE2-CB 4.28Å; Y49-V70 HydrophobicContact CE2-CG2 3.84Å; Y49-V70 HydrophobicContact CG-CG1 4.33Å; Y49-V70 HydrophobicContact CG-CG2 4.28Å; Y49-F78 HydrophobicContact CD1-CD1 4.27Å; Y49-F78 AromaticContact CD1-CE1 3.96Å; Y49-F78 HydrophobicContact CD1-CE1 3.96Å; Y49-F78 HydrophobicContact CG-CD1 4.32Å; Y49-F78 AromaticContact CG-CE1 4Å; Y49-F78 HydrophobicContact CG-CE1 4Å |
| 50 | V | 93.9 | Very high | 94 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.2 | 168.8 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | R71 | V50-R71 VanDerWaalsContact O-CB 3.26Å; V50-R71 WeakPolarHBondContact O-CB 3.27Å; V50-R71 PolarHBondContact O-N 2.82Å |
| 51 | D | 90.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 171.3 | 177.8 | 76.5 | -3.3 | 0 | 0 | 0 | 112.6 | Y49 K53 G54 F55 E69 R275 | Y49-D51 HydrophobicContact CE2-CB 4.09Å; D51-K53 PolarHBondContact O-N 2.84Å; D51-K53 VanDerWaalsContact OD1-CA 3.28Å; D51-K53 WeakPolarHBondContact OD1-CA 3.47Å; D51-K53 WeakPolarHBondContact OD1-CB 3.49Å; D51-K53 PolarHBondContact OD1-N 2.77Å; D51-G54 PolarHBondContact O-N 3.42Å; D51-G54 PolarHBondContact OD1-N 2.92Å; D51-F55 PolarHBondContact N-O 2.88Å; D51-F55 PolarHBondContact OD1-N 2.92Å; D51-E69 CarbonylContact C-O 3.49Å; D51-E69 VanDerWaalsContact CA-O 3.3Å; D51-E69 WeakPolarHBondContact CA-O 3.03Å; D51-E69 WeakPolarHBondContact CB-O 3.41Å; D51-R275 IonicContact OD2-CZ 3.73Å; D51-R275 IonicContact OD2-NH1 2.65Å; D51-R275 PolarHBondContact OD2-NH1 3.44Å; D51-R275 IonicContact OD2-NH2 2.98Å; D51-R275 PolarHBondContact OD2-NH2 2.8Å |
| 52 | N | 90.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -2.7 | 174.7 | -72.3 | -72.2 | 0 | 0 | 0 | 114.2 | E69 V70 K72 | N52-E69 PolarHBondContact N-O 3.18Å; N52-E69 PolarHBondContact ND2-O 3.34Å; N52-V70 PolarHBondContact ND2-O 3.39Å; N52-K72 PolarHBondContact OD1-N 3.04Å |
| 53 | K | 88 | Confident | 93.7 | Very high | 125 Ų | 125 | 49 Ų | 49 | 54% | 0.543 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 7.6 | 177 | -55.6 | -174.8 | -179.7 | 87.1 | 0 | 112.2 | D51 F55 E69 | D51-K53 PolarHBondContact O-N 2.84Å; D51-K53 VanDerWaalsContact OD1-CA 3.28Å; D51-K53 WeakPolarHBondContact OD1-CA 3.47Å; D51-K53 WeakPolarHBondContact OD1-CB 3.49Å; D51-K53 PolarHBondContact OD1-N 2.77Å; K53-F55 HydrophobicContact CB-CD2 3.78Å; K53-F55 HydrophobicContact CB-CE2 4.03Å; K53-F55 WeakPolarHBondContact O-CD2 3.45Å; K53-F55 VanDerWaalsContact O-CE2 3.31Å; K53-F55 WeakPolarHBondContact O-CE2 3.46Å; K53-E69 IonicContact NZ-OE1 3.5Å; K53-E69 IonicContact NZ-OE2 3.07Å; K53-E69 PolarHBondContact NZ-OE2 2.75Å |
| 54 | G | 88 | Confident | 93.7 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 56% | 0.557 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 82.4 | 10.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D51 | D51-G54 PolarHBondContact O-N 3.42Å; D51-G54 PolarHBondContact OD1-N 2.92Å |
| 55 | F | 86.3 | Confident | 93.6 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | trans | -102.9 | 139.6 | -174.9 | -66 | -84.9 | 0 | 0 | 0 | 113 | D51 K53 T57 | D51-F55 PolarHBondContact N-O 2.88Å; D51-F55 PolarHBondContact OD1-N 2.92Å; K53-F55 HydrophobicContact CB-CD2 3.78Å; K53-F55 HydrophobicContact CB-CE2 4.03Å; K53-F55 WeakPolarHBondContact O-CD2 3.45Å; K53-F55 VanDerWaalsContact O-CE2 3.31Å; K53-F55 WeakPolarHBondContact O-CE2 3.46Å; F55-T57 PolarHBondContact O-OG1 3.02Å | ||
| 56 | P | 90.5 | Very high | 93.3 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.3 | 172 | 28.2 | -34.2 | 0 | 0 | 0 | 111.1 | Y49 | Y49-P56 CarbonylContact O-C 3.56Å; Y49-P56 WeakPolarHBondContact O-CA 3.49Å |
| 57 | T | 91.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 143 | -170.1 | -48 | 0 | 0 | 0 | 0 | 110.3 | Q48 Y49 F55 R275 | Q48-T57 CarbonylContact C-O 3.59Å; Q48-T57 VanDerWaalsContact CA-O 3.28Å; Q48-T57 WeakPolarHBondContact CA-O 3.49Å; Y49-T57 WeakPolarHBondContact CD1-O 3.4Å; Y49-T57 HydrophobicContact CE1-CG2 3.87Å; Y49-T57 HydrophobicContact CE2-CG2 4.27Å; Y49-T57 PolarHBondContact N-O 2.98Å; Y49-T57 PolarHBondContact O-N 2.6Å; Y49-T57 VanDerWaalsContact OH-CG2 3.26Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.28Å; F55-T57 PolarHBondContact O-OG1 3.02Å; T57-R275 PolarHBondContact OG1-NH2 3.45Å |
| 58 | W | 94.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.6 | 172 | -65.2 | 104.4 | 0 | 0 | 0 | 110.6 | Q48 R81 K83 | Q48-W58 HydrophobicContact CB-CD2 4.47Å; Q48-W58 HydrophobicContact CB-CE3 3.97Å; Q48-W58 HydrophobicContact CB-CH2 4.39Å; Q48-W58 HydrophobicContact CB-CZ3 3.92Å; W58-R81 HydrophobicContact CH2-CB 3.89Å; W58-R81 HydrophobicContact CZ3-CB 4.25Å; W58-K83 HydrophobicContact CD2-CB 4.41Å; W58-K83 HydrophobicContact CD2-CD 4Å; W58-K83 HydrophobicContact CD2-CG 4.08Å; W58-K83 HydrophobicContact CE3-CB 4.33Å; W58-K83 HydrophobicContact CE3-CD 4.35Å; W58-K83 HydrophobicContact CE3-CG 4.46Å; W58-K83 HydrophobicContact CG-CD 4.2Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.22Å; W58-K83 HydrophobicContact CZ2-CB 3.74Å; W58-K83 HydrophobicContact CZ2-CG 3.83Å; W58-K83 HydrophobicContact CZ3-CB 3.96Å |
| 59 | L | 95.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 133.2 | 174.1 | -173.5 | 71.1 | 0 | 0 | 0 | 110.1 | L29 L47 Y49 V65 F78 | L29-L59 HydrophobicContact CD2-CD2 3.88Å; L29-L59 HydrophobicContact CG-CD2 4.45Å; L47-L59 HydrophobicContact CB-CB 3.96Å; L47-L59 HydrophobicContact CB-CD2 4.03Å; L47-L59 HydrophobicContact CD1-CD2 3.73Å; L47-L59 WeakPolarHBondContact O-CB 3.41Å; L47-L59 PolarHBondContact O-N 3Å; Y49-L59 HydrophobicContact CD1-CB 4.29Å; Y49-L59 HydrophobicContact CE1-CB 4.25Å; Y49-L59 HydrophobicContact CE1-CD1 4.39Å; L59-V65 HydrophobicContact CD1-CG1 4.39Å; L59-V65 HydrophobicContact CD1-CG2 4.44Å; L59-V65 HydrophobicContact CD2-CG2 4.48Å; L59-F78 HydrophobicContact CD1-CE1 4.09Å; L59-F78 HydrophobicContact CD2-CE1 4.34Å |
| 60 | K | 94.3 | Very high | 92.4 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 127.1 | 175.2 | -54.5 | -173.9 | 176.2 | -169.9 | 0 | 109.8 | D62 K63 Q68 | K60-D62 VanDerWaalsContact C-N 3.33Å; K60-D62 WeakPolarHBondContact CB-OD1 3.4Å; K60-D62 PolarHBondContact O-N 2.59Å; K60-K63 HydrophobicContact CB-CG 4.42Å; K60-K63 HydrophobicContact CD-CD 4.42Å; K60-K63 PolarHBondContact O-N 2.85Å; K60-Q68 VanDerWaalsContact CB-OE1 3.29Å; K60-Q68 PolarHBondContact O-NE2 3.16Å |
| 61 | L | 94.5 | Very high | 92.3 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.288 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -31.6 | -174.4 | -54.8 | -175 | 0 | 0 | 0 | 112.1 | K27 F30 K63 | K27-L61 HydrophobicContact CB-CB 4.05Å; K27-L61 PolarHBondContact N-O 2.82Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.33Å; F30-L61 HydrophobicContact CG-CD2 4.03Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.44Å |
| 62 | D | 93.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 72.2 Ų | 72.2 | 35% | 0.353 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -3.6 | -179.3 | 72 | -59.3 | 0 | 0 | 0 | 114.8 | K60 | K60-D62 VanDerWaalsContact C-N 3.33Å; K60-D62 WeakPolarHBondContact CB-OD1 3.4Å; K60-D62 PolarHBondContact O-N 2.59Å |
| 63 | K | 95.1 | Very high | 92.3 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -126.4 | 149.9 | -174.1 | -53.3 | -158.3 | -172.4 | -50 | 0 | 112.9 | T25 G26 K60 L61 V65 Q68 | T25-K63 CarbonylContact C-O 3.58Å; G26-K63 PolarHBondContact N-O 3.04Å; K60-K63 HydrophobicContact CB-CG 4.42Å; K60-K63 HydrophobicContact CD-CD 4.42Å; K60-K63 PolarHBondContact O-N 2.85Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.44Å; K63-V65 PolarHBondContact O-N 3.01Å; K63-Q68 HydrophobicContact CB-CG 4.12Å; K63-Q68 PolarHBondContact O-NE2 3.01Å; K63-Q68 VanDerWaalsContact O-NE2 3.11Å |
| 64 | K | 96.2 | Very high | 92.5 | Very high | 111 Ų | 111 | 71.5 Ų | 71.5 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -56.3 | 135 | 172.6 | -63.1 | -178.6 | 175 | 174.3 | 0 | 110.4 | T24 S66 A67 Q68 | T24-K64 CarbonylContact O-C 3.47Å; T24-K64 WeakPolarHBondContact O-CA 3.42Å; K64-S66 VanDerWaalsContact C-N 3.26Å; K64-S66 PolarHBondContact O-N 3.28Å; K64-A67 HydrophobicContact CB-CB 4.08Å; K64-A67 PolarHBondContact O-N 2.87Å; K64-Q68 WeakPolarHBondContact O-CG 3.23Å |
| 65 | V | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -58.8 | -42.4 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | I20 T24 L29 L59 K63 A67 Q68 F78 | I20-V65 HydrophobicContact CD1-CB 3.84Å; I20-V65 HydrophobicContact CD1-CG1 3.97Å; I20-V65 HydrophobicContact CD1-CG2 4.02Å; T24-V65 PolarHBondContact O-N 3.49Å; L29-V65 HydrophobicContact CB-CG2 4.03Å; L29-V65 HydrophobicContact CD2-CG1 4.1Å; L29-V65 HydrophobicContact CD2-CG2 3.75Å; L59-V65 HydrophobicContact CD1-CG1 4.39Å; L59-V65 HydrophobicContact CD1-CG2 4.44Å; L59-V65 HydrophobicContact CD2-CG2 4.48Å; K63-V65 PolarHBondContact O-N 3.01Å; V65-A67 PolarHBondContact O-N 3.05Å; V65-A67 VanDerWaalsContact O-N 3.12Å; V65-Q68 PolarHBondContact O-N 3.34Å; V65-F78 HydrophobicContact CG1-CE1 4.47Å; V65-F78 HydrophobicContact CG1-CE2 4.36Å; V65-F78 HydrophobicContact CG1-CZ 3.65Å |
| 66 | S | 92.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 67.2 Ų | 67.2 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -58.8 | -18.8 | 175 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | P22 K64 | P22-S66 PolarHBondContact O-OG 2.76Å; K64-S66 VanDerWaalsContact C-N 3.26Å; K64-S66 PolarHBondContact O-N 3.28Å |
| 67 | A | 93.8 | Very high | 93.6 | Very high | 71 Ų | 71 | 67 Ų | 67 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -102.1 | 11.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | K64 V65 | K64-A67 HydrophobicContact CB-CB 4.08Å; K64-A67 PolarHBondContact O-N 2.87Å; V65-A67 PolarHBondContact O-N 3.05Å; V65-A67 VanDerWaalsContact O-N 3.12Å |
| 68 | Q | 92.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -113.4 | 23.1 | -172.2 | -65.3 | -170.4 | 62.8 | 0 | 0 | 114.7 | Y49 K60 K63 K64 V65 V70 | Y49-Q68 PolarHBondContact OH-O 3.11Å; K60-Q68 VanDerWaalsContact CB-OE1 3.29Å; K60-Q68 PolarHBondContact O-NE2 3.16Å; K63-Q68 HydrophobicContact CB-CG 4.12Å; K63-Q68 PolarHBondContact O-NE2 3.01Å; K63-Q68 VanDerWaalsContact O-NE2 3.11Å; K64-Q68 WeakPolarHBondContact O-CG 3.23Å; V65-Q68 PolarHBondContact O-N 3.34Å; Q68-V70 HydrophobicContact CB-CG2 4.5Å; Q68-V70 PolarHBondContact O-N 2.73Å; Q68-V70 VanDerWaalsContact O-N 3.09Å |
| 69 | E | 91.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | trans | 53.2 | 29.2 | 178.6 | -60.3 | -172.3 | -147 | 0 | 0 | 115 | D51 N52 K53 | D51-E69 CarbonylContact C-O 3.49Å; D51-E69 VanDerWaalsContact CA-O 3.3Å; D51-E69 WeakPolarHBondContact CA-O 3.03Å; D51-E69 WeakPolarHBondContact CB-O 3.41Å; N52-E69 PolarHBondContact N-O 3.18Å; N52-E69 PolarHBondContact ND2-O 3.34Å; K53-E69 IonicContact NZ-OE1 3.5Å; K53-E69 IonicContact NZ-OE2 3.07Å; K53-E69 PolarHBondContact NZ-OE2 2.75Å | ||
| 70 | V | 92.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -56.3 | 138 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 110 | Y49 N52 Q68 K72 L76 F78 | Y49-V70 HydrophobicContact CD2-CB 4.02Å; Y49-V70 HydrophobicContact CD2-CG1 3.91Å; Y49-V70 HydrophobicContact CD2-CG2 3.81Å; Y49-V70 HydrophobicContact CE2-CB 4.28Å; Y49-V70 HydrophobicContact CE2-CG2 3.84Å; Y49-V70 HydrophobicContact CG-CG1 4.33Å; Y49-V70 HydrophobicContact CG-CG2 4.28Å; N52-V70 PolarHBondContact ND2-O 3.39Å; Q68-V70 HydrophobicContact CB-CG2 4.5Å; Q68-V70 PolarHBondContact O-N 2.73Å; Q68-V70 VanDerWaalsContact O-N 3.09Å; V70-K72 PolarHBondContact O-N 2.94Å; V70-L76 HydrophobicContact CG1-CB 4.45Å; V70-L76 HydrophobicContact CG1-CD1 4.45Å; V70-L76 HydrophobicContact CG1-CD2 4.08Å; V70-F78 HydrophobicContact CG1-CE1 4.49Å; V70-F78 HydrophobicContact CG1-CZ 4.01Å; V70-F78 HydrophobicContact CG2-CE1 4.33Å; V70-F78 HydrophobicContact CG2-CZ 4.05Å |
| 71 | R | 92.3 | Very high | 94.4 | Very high | 135 Ų | 135 | 64 Ų | 64 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | trans | -56 | 129.4 | 177.6 | -171.2 | 168.7 | -178.9 | -133.2 | 9.6 | 110.2 | V50 E73 L76 | V50-R71 VanDerWaalsContact O-CB 3.26Å; V50-R71 WeakPolarHBondContact O-CB 3.27Å; V50-R71 PolarHBondContact O-N 2.82Å; R71-E73 VanDerWaalsContact C-N 3.35Å; R71-E73 WeakPolarHBondContact CD-OE1 3.44Å; R71-E73 HydrophobicContact CG-CG 4.33Å; R71-E73 WeakPolarHBondContact CG-OE1 3.46Å; R71-E73 IonicContact CZ-OE1 3.67Å; R71-E73 IonicContact NE-OE1 2.77Å; R71-E73 PolarHBondContact NE-OE1 2.92Å; R71-E73 IonicContact NH1-OE1 2.84Å; R71-E73 PolarHBondContact NH1-OE1 2.83Å; R71-E73 PolarHBondContact O-N 2.84Å; R71-L76 VanDerWaalsContact O-CD2 3.3Å; R71-L76 WeakPolarHBondContact O-CD2 3.28Å | ||
| 72 | K | 88.8 | Confident | 94.6 | Very high | 187 Ų | 187 | 61.6 Ų | 61.6 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | trans | -74.9 | 82.8 | -173.1 | -67.9 | -177.7 | -179.3 | 178.8 | 0 | 112.1 | N52 V70 | N52-K72 PolarHBondContact OD1-N 3.04Å; V70-K72 PolarHBondContact O-N 2.94Å | ||
| 73 | E | 91.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | trans | -116.5 | 167.6 | 175.9 | -70.4 | 167.2 | -158.1 | 0 | 0 | 110.8 | R71 P75 L76 Q77 | R71-E73 VanDerWaalsContact C-N 3.35Å; R71-E73 WeakPolarHBondContact CD-OE1 3.44Å; R71-E73 HydrophobicContact CG-CG 4.33Å; R71-E73 WeakPolarHBondContact CG-OE1 3.46Å; R71-E73 IonicContact CZ-OE1 3.67Å; R71-E73 IonicContact NE-OE1 2.77Å; R71-E73 PolarHBondContact NE-OE1 2.92Å; R71-E73 IonicContact NH1-OE1 2.84Å; R71-E73 PolarHBondContact NH1-OE1 2.83Å; R71-E73 PolarHBondContact O-N 2.84Å; E73-P75 CarbonylContact C-O 3.6Å; E73-P75 WeakPolarHBondContact CB-O 3.41Å; E73-L76 WeakPolarHBondContact O-CD2 3.36Å; E73-Q77 WeakPolarHBondContact OE2-CG 3.49Å | ||
| 74 | N | 91.9 | Very high | 94.8 | Very high | 123 Ų | 123 | 56.5 Ų | 56.5 | 66% | 0.658 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -137.6 | 106.1 | 175.8 | 179.7 | 27.7 | 0 | 0 | 0 | 109.1 | N6 | N6-N74 WeakPolarHBondContact CB-OD1 3.31Å; N6-N74 PolarHBondContact ND2-OD1 3.48Å |
| 75 | P | 95 | Very high | 94.9 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | S | Bend | cis | -69.9 | 161.3 | -2.7 | 29 | -33.8 | 0 | 0 | 0 | 113.5 | N6 R8 E73 Q77 | N6-P75 HydrophobicContact CB-CB 3.89Å; N6-P75 WeakPolarHBondContact O-CA 3.21Å; R8-P75 HydrophobicContact CB-CB 4.18Å; R8-P75 HydrophobicContact CB-CG 3.81Å; E73-P75 CarbonylContact C-O 3.6Å; E73-P75 WeakPolarHBondContact CB-O 3.41Å; P75-Q77 PolarHBondContact O-NE2 3.06Å |
| 76 | L | 96.3 | Very high | 95 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.9 | 167.6 | -65.4 | -179.2 | 0 | 0 | 0 | 110 | I5 N6 V7 R8 V70 R71 E73 F78 | I5-L76 HydrophobicContact CG2-CD1 3.53Å; I5-L76 HydrophobicContact CG2-CG 3.97Å; N6-L76 PolarHBondContact O-N 2.84Å; V7-L76 HydrophobicContact CG2-CB 4.45Å; R8-L76 PolarHBondContact N-O 3.05Å; V70-L76 HydrophobicContact CG1-CB 4.45Å; V70-L76 HydrophobicContact CG1-CD1 4.45Å; V70-L76 HydrophobicContact CG1-CD2 4.08Å; R71-L76 VanDerWaalsContact O-CD2 3.3Å; R71-L76 WeakPolarHBondContact O-CD2 3.28Å; E73-L76 WeakPolarHBondContact O-CD2 3.36Å; L76-F78 HydrophobicContact CB-CE2 3.8Å |
| 77 | Q | 97.3 | Very high | 95 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.3 | -173.9 | -58.7 | -61.6 | -32.6 | 0 | 0 | 112.7 | E73 P75 | E73-Q77 WeakPolarHBondContact OE2-CG 3.49Å; P75-Q77 PolarHBondContact O-NE2 3.06Å |
| 78 | F | 98.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145.3 | 170 | -60 | -95.6 | 0 | 0 | 0 | 111.2 | V7 R8 V9 T10 L29 L47 Q48 Y49 L59 V65 V70 L76 | V7-F78 HydrophobicContact CG1-CD2 3.53Å; V7-F78 HydrophobicContact CG1-CE2 3.69Å; R8-F78 PolarHBondContact O-N 2.8Å; V9-F78 WeakPolarHBondContact CA-O 3.33Å; V9-F78 HydrophobicContact CG2-CB 4.31Å; T10-F78 PolarHBondContact N-O 3.31Å; L29-F78 HydrophobicContact CD2-CD2 4.4Å; L29-F78 HydrophobicContact CD2-CE1 4.42Å; L29-F78 HydrophobicContact CD2-CE2 4.08Å; L29-F78 HydrophobicContact CD2-CZ 4.11Å; L47-F78 HydrophobicContact CB-CD1 4.18Å; L47-F78 HydrophobicContact CD2-CB 4.18Å; Q48-F78 CarbonylContact O-C 3.49Å; Q48-F78 VanDerWaalsContact O-CA 3.27Å; Q48-F78 WeakPolarHBondContact O-CA 3.38Å; Y49-F78 HydrophobicContact CD1-CD1 4.27Å; Y49-F78 AromaticContact CD1-CE1 3.96Å; Y49-F78 HydrophobicContact CD1-CE1 3.96Å; Y49-F78 HydrophobicContact CG-CD1 4.32Å; Y49-F78 AromaticContact CG-CE1 4Å; Y49-F78 HydrophobicContact CG-CE1 4Å; L59-F78 HydrophobicContact CD1-CE1 4.09Å; L59-F78 HydrophobicContact CD2-CE1 4.34Å; V65-F78 HydrophobicContact CG1-CE1 4.47Å; V65-F78 HydrophobicContact CG1-CE2 4.36Å; V65-F78 HydrophobicContact CG1-CZ 3.65Å; V70-F78 HydrophobicContact CG1-CE1 4.49Å; V70-F78 HydrophobicContact CG1-CZ 4.01Å; V70-F78 HydrophobicContact CG2-CE1 4.33Å; V70-F78 HydrophobicContact CG2-CZ 4.05Å; L76-F78 HydrophobicContact CB-CE2 3.8Å |
| 79 | K | 98.2 | Very high | 95.3 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 41% | 0.413 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.1 | 166.6 | -63.8 | -172 | 175.1 | -168.5 | 0 | 109.5 | T10 Q48 R81 | T10-K79 CarbonylContact O-C 3.57Å; T10-K79 WeakPolarHBondContact O-CA 3.49Å; Q48-K79 PolarHBondContact N-O 2.84Å; Q48-K79 PolarHBondContact O-N 3.02Å; K79-R81 HydrophobicContact CB-CG 4.09Å |
| 80 | F | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.6 | 165.4 | -171.9 | -97.1 | 0 | 0 | 0 | 108.2 | V9 T10 T11 F30 V33 V34 I37 L39 F45 L47 L101 | V9-F80 HydrophobicContact CG1-CB 3.92Å; T10-F80 PolarHBondContact O-N 2.92Å; T11-F80 HydrophobicContact CG2-CB 4.18Å; T11-F80 HydrophobicContact CG2-CD1 4.4Å; F30-F80 HydrophobicContact CD2-CE2 4.2Å; F30-F80 HydrophobicContact CE2-CD2 4.47Å; F30-F80 AromaticContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CZ-CE2 4.21Å; V33-F80 HydrophobicContact CG1-CB 4.41Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.05Å; V33-F80 HydrophobicContact CG1-CG 4.07Å; V34-F80 HydrophobicContact CG1-CE2 3.6Å; V34-F80 HydrophobicContact CG1-CZ 3.67Å; I37-F80 HydrophobicContact CD1-CD1 4.35Å; I37-F80 HydrophobicContact CD1-CE1 3.87Å; I37-F80 HydrophobicContact CD1-CZ 4.25Å; L39-F80 HydrophobicContact CD1-CE1 4.41Å; F45-F80 HydrophobicContact CB-CE1 3.96Å; F45-F80 HydrophobicContact CB-CE2 3.8Å; F45-F80 HydrophobicContact CB-CZ 3.39Å; F45-F80 HydrophobicContact CD1-CD1 4.01Å; F45-F80 AromaticContact CD1-CE1 3.32Å; F45-F80 HydrophobicContact CD1-CE1 3.32Å; F45-F80 AromaticContact CD1-CZ 3.71Å; F45-F80 HydrophobicContact CD1-CZ 3.71Å; F45-F80 HydrophobicContact CD2-CE1 4.42Å; F45-F80 HydrophobicContact CD2-CZ 4.21Å; F45-F80 AromaticContact CE1-CE1 3.92Å; F45-F80 HydrophobicContact CE1-CE1 3.92Å; F45-F80 AromaticContact CG-CE1 3.64Å; F45-F80 HydrophobicContact CG-CE1 3.64Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.49Å; F45-F80 HydrophobicContact CG-CZ 3.49Å; F45-F80 VanDerWaalsContact CG-CZ 3.49Å; L47-F80 HydrophobicContact CD2-CB 4.08Å; L47-F80 HydrophobicContact CD2-CD2 3.96Å; L47-F80 HydrophobicContact CG-CD2 4.46Å; F80-L101 HydrophobicContact CD1-CD1 4.14Å; F80-L101 HydrophobicContact CE1-CD1 3.78Å |
| 81 | R | 98 | Very high | 95.3 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 148.9 | -172.5 | -73.5 | -66.4 | -175.6 | -85.5 | 16.6 | 110.5 | T11 M12 F45 G46 W58 K79 K83 E108 | T11-R81 PolarHBondContact O-NH1 2.87Å; M12-R81 PolarHBondContact SD-NE 3.07Å; M12-R81 PolarHBondContact SD-NH2 2.83Å; F45-R81 WeakPolarHBondContact CA-O 3.22Å; G46-R81 PolarHBondContact N-O 3.14Å; G46-R81 PolarHBondContact O-N 3.49Å; G46-R81 VanDerWaalsContact O-N 3.11Å; W58-R81 HydrophobicContact CH2-CB 3.89Å; W58-R81 HydrophobicContact CZ3-CB 4.25Å; K79-R81 HydrophobicContact CB-CG 4.09Å; R81-K83 PolarHBondContact O-N 2.78Å; R81-E108 IonicContact CZ-OE2 2.8Å; R81-E108 IonicContact NE-OE2 2.72Å; R81-E108 PolarHBondContact NE-OE2 3.05Å; R81-E108 IonicContact NH2-OE1 2.72Å; R81-E108 IonicContact NH2-OE2 3.34Å; R81-E108 PolarHBondContact NH2-OE2 2.95Å |
| 82 | A | 97.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 123.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F45 F102 Q105 | F45-A82 HydrophobicContact CD1-CB 4.27Å; F45-A82 HydrophobicContact CE1-CB 4.08Å; A82-F102 HydrophobicContact CB-CD1 4.13Å; A82-F102 HydrophobicContact CB-CE1 3.61Å; A82-F102 HydrophobicContact CB-CE2 4.41Å; A82-F102 HydrophobicContact CB-CZ 3.78Å; A82-Q105 PolarHBondContact O-NE2 2.85Å |
| 83 | K | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 37 Ų | 37 | 15% | 0.152 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -98.3 | -33.4 | 177.8 | 177.2 | -175.1 | 168.3 | -153.9 | 0 | 111.1 | Y44 W58 R81 Q282 L283 | Y44-K83 PolarHBondContact O-N 3.32Å; W58-K83 HydrophobicContact CD2-CB 4.41Å; W58-K83 HydrophobicContact CD2-CD 4Å; W58-K83 HydrophobicContact CD2-CG 4.08Å; W58-K83 HydrophobicContact CE3-CB 4.33Å; W58-K83 HydrophobicContact CE3-CD 4.35Å; W58-K83 HydrophobicContact CE3-CG 4.46Å; W58-K83 HydrophobicContact CG-CD 4.2Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.22Å; W58-K83 HydrophobicContact CZ2-CB 3.74Å; W58-K83 HydrophobicContact CZ2-CG 3.83Å; W58-K83 HydrophobicContact CZ3-CB 3.96Å; R81-K83 PolarHBondContact O-N 2.78Å; K83-Q282 PolarHBondContact NZ-O 3.27Å; K83-L283 HydrophobicContact CG-CD2 4.1Å |
| 84 | F | 97.9 | Very high | 96 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -121.9 | 152.4 | 177.1 | -54.5 | -73.3 | 0 | 0 | 0 | 109.1 | W43 Y44 F102 L283 L290 | W43-F84 WeakPolarHBondContact O-CD2 3.4Å; Y44-F84 PolarHBondContact O-N 2.69Å; F84-F102 WeakPolarHBondContact O-CZ 3.11Å; F84-L283 HydrophobicContact CE1-CD2 4.09Å; F84-L290 HydrophobicContact CB-CD1 3.6Å; F84-L290 HydrophobicContact CD2-CD1 4.33Å; F84-L290 HydrophobicContact CG-CD1 3.98Å |
| 85 | F | 98 | Very high | 96.1 | Very high | 24 Ų | 24 | 31 Ų | 31 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | trans | -114 | 155.5 | -178.2 | -75 | -104.2 | 0 | 0 | 0 | 110.4 | F102 V106 Y201 R294 | F85-F102 HydrophobicContact CD1-CD1 4.1Å; F85-F102 AromaticContact CD1-CE1 3.66Å; F85-F102 HydrophobicContact CD1-CE1 3.66Å; F85-F102 HydrophobicContact CE1-CD1 4.15Å; F85-F102 AromaticContact CE1-CE1 4Å; F85-F102 HydrophobicContact CE1-CE1 4Å; F85-F102 HydrophobicContact CG-CE1 4.08Å; F85-V106 HydrophobicContact CE1-CG2 3.98Å; F85-Y201 AromaticContact CD1-CE1 3.92Å; F85-Y201 HydrophobicContact CD1-CE1 3.92Å; F85-Y201 HydrophobicContact CD1-CE2 4.22Å; F85-Y201 AromaticContact CD1-CZ 3.67Å; F85-Y201 HydrophobicContact CE1-CE2 4.24Å; F85-R294 PolarHBondContact O-NH2 2.75Å | ||
| 86 | P | 96.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | trans | -61.9 | 158 | 165.8 | 29.1 | -36.1 | 0 | 0 | 0 | 111 | Y44 V89 E92 L93 | Y44-P86 HydrophobicContact CE1-CB 4.42Å; P86-V89 HydrophobicContact CG-CB 4.35Å; P86-V89 HydrophobicContact CG-CG1 3.63Å; P86-E92 WeakPolarHBondContact CA-OE2 3.42Å; P86-E92 HydrophobicContact CB-CB 3.69Å; P86-E92 HydrophobicContact CB-CG 4.27Å; P86-L93 HydrophobicContact CB-CD2 4.38Å; P86-L93 HydrophobicContact CG-CD2 4.04Å; P86-L93 HydrophobicContact CG-CG 4.37Å | ||
| 87 | E | 93.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 9% | 0.089 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -72 | -53.9 | 160.7 | -73.1 | 174.5 | -129.5 | 0 | 0 | 109.2 | E92 A222 L223 Y291 R294 R295 R517 | E87-E92 WeakPolarHBondContact CA-OE1 3.37Å; E87-E92 WeakPolarHBondContact CB-OE1 3.45Å; E87-E92 PolarHBondContact N-OE1 2.91Å; E87-A222 HydrophobicContact CG-CB 3.97Å; E87-L223 HydrophobicContact CB-CD2 4.11Å; E87-L223 HydrophobicContact CG-CD2 3.71Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.44Å; E87-R294 WeakPolarHBondContact OE1-CD 3.37Å; E87-R294 IonicContact OE1-CZ 3.61Å; E87-R294 IonicContact OE1-NE 3.44Å; E87-R294 IonicContact OE1-NH1 2.69Å; E87-R294 PolarHBondContact OE1-NH1 2.99Å; E87-R295 IonicContact OE1-CZ 2.6Å; E87-R295 IonicContact OE1-NH1 2.96Å; E87-R295 PolarHBondContact OE1-NH1 2.82Å; E87-R295 IonicContact OE1-NH2 2.68Å; E87-R295 IonicContact OE2-CZ 3.77Å; E87-R295 IonicContact OE2-NH1 3.63Å; E87-R295 PolarHBondContact OE2-NH1 3.46Å; E87-R295 IonicContact OE2-NH2 2.71Å; E87-R295 PolarHBondContact OE2-NH2 3.02Å; E87-R517 PolarHBondContact O-NH1 2.94Å; E87-R517 PolarHBondContact O-NH2 3.41Å |
| 88 | D | 95.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 30 Ų | 30 | 12% | 0.118 | 15% | 0.149 | C | C | . | . | trans | -123.7 | 118.6 | 171.1 | -152.5 | -47 | 0 | 0 | 0 | 112.6 | A90 E91 E92 Q196 R517 K523 | D88-A90 PolarHBondContact O-N 3.35Å; D88-A90 VanDerWaalsContact O-N 3.17Å; D88-A90 PolarHBondContact OD1-N 3.18Å; D88-E91 PolarHBondContact O-N 3.15Å; D88-E92 PolarHBondContact N-OE1 2.72Å; D88-E92 WeakPolarHBondContact O-CB 3.38Å; D88-E92 PolarHBondContact O-N 3.05Å; D88-Q196 PolarHBondContact OD1-NE2 3.21Å; D88-Q196 PolarHBondContact OD1-OE1 3Å; D88-R517 VanDerWaalsContact CB-NH2 3.34Å; D88-R517 IonicContact OD1-NH2 3.7Å; D88-R517 IonicContact OD2-CZ 2.76Å; D88-R517 IonicContact OD2-NE 2.67Å; D88-R517 IonicContact OD2-NH2 3.37Å; D88-R517 PolarHBondContact OD2-NH2 3Å; D88-K523 IonicContact OD2-NZ 3.84Å; D88-K523 PolarHBondContact OD2-NZ 2.89Å | ||
| 89 | V | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -26.2 | -176.4 | -59 | 0 | 0 | 0 | 0 | 113.5 | P86 L93 L189 L192 K193 Q196 Y201 | P86-V89 HydrophobicContact CG-CB 4.35Å; P86-V89 HydrophobicContact CG-CG1 3.63Å; V89-L93 HydrophobicContact CB-CD1 3.97Å; V89-L93 HydrophobicContact CB-CG 4.4Å; V89-L93 HydrophobicContact CG1-CD1 4.31Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L189 HydrophobicContact CG2-CD1 4.46Å; V89-L192 HydrophobicContact CB-CB 4.21Å; V89-L192 HydrophobicContact CG1-CB 4.21Å; V89-L192 HydrophobicContact CG2-CB 3.97Å; V89-K193 HydrophobicContact CG2-CB 4.33Å; V89-K193 HydrophobicContact CG2-CG 3.65Å; V89-Q196 HydrophobicContact CG1-CB 4.26Å; V89-Q196 HydrophobicContact CG2-CG 4.46Å; V89-Q196 VanDerWaalsContact N-OE1 3.11Å; V89-Y201 VanDerWaalsContact CG1-OH 3.25Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.46Å |
| 90 | A | 93.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 35% | 0.347 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -78.1 | -26.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D88 K193 | D88-A90 PolarHBondContact O-N 3.35Å; D88-A90 VanDerWaalsContact O-N 3.17Å; D88-A90 PolarHBondContact OD1-N 3.18Å; A90-K193 HydrophobicContact CB-CD 4.12Å; A90-K193 HydrophobicContact CB-CG 4.23Å |
| 91 | E | 91.1 | Very high | 96.1 | Very high | 141 Ų | 141 | 29.6 Ų | 29.6 | 66% | 0.659 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -102.8 | -20.9 | -175.3 | -61 | -62.3 | 147.4 | 0 | 0 | 112.9 | D88 K306 | D88-E91 PolarHBondContact O-N 3.15Å; E91-K306 PolarHBondContact O-NZ 2.93Å |
| 92 | E | 94.4 | Very high | 96.1 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -109.8 | -23.1 | -169.4 | -84.4 | -175.5 | -113.2 | 0 | 0 | 116.3 | Y44 P86 E87 D88 R294 | Y44-E92 WeakPolarHBondContact OH-CB 3.3Å; Y44-E92 PolarHBondContact OH-O 3.32Å; Y44-E92 PolarHBondContact OH-OE2 2.96Å; Y44-E92 VanDerWaalsContact OH-OE2 3.09Å; P86-E92 WeakPolarHBondContact CA-OE2 3.42Å; P86-E92 HydrophobicContact CB-CB 3.69Å; P86-E92 HydrophobicContact CB-CG 4.27Å; E87-E92 WeakPolarHBondContact CA-OE1 3.37Å; E87-E92 WeakPolarHBondContact CB-OE1 3.45Å; E87-E92 PolarHBondContact N-OE1 2.91Å; D88-E92 PolarHBondContact N-OE1 2.72Å; D88-E92 WeakPolarHBondContact O-CB 3.38Å; D88-E92 PolarHBondContact O-N 3.05Å; E92-R294 IonicContact OE1-CZ 3.84Å; E92-R294 IonicContact OE1-NE 2.75Å; E92-R294 PolarHBondContact OE1-NE 3Å; E92-R294 VanDerWaalsContact OE1-NE 3.1Å; E92-R294 IonicContact OE1-NH2 3.83Å; E92-R294 IonicContact OE2-CZ 2.78Å; E92-R294 IonicContact OE2-NE 3.17Å; E92-R294 PolarHBondContact OE2-NE 3.47Å; E92-R294 IonicContact OE2-NH2 2.76Å; E92-R294 PolarHBondContact OE2-NH2 2.95Å |
| 93 | L | 96.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 10% | 0.099 | 14% | 0.143 | C | C | . | . | trans | -91.9 | 116.3 | -179.1 | -56.5 | -174.6 | 0 | 0 | 0 | 109.3 | Y44 P86 V89 T98 Q99 F102 L192 | Y44-L93 HydrophobicContact CD2-CD2 4.49Å; Y44-L93 HydrophobicContact CE2-CD2 3.95Å; P86-L93 HydrophobicContact CB-CD2 4.38Å; P86-L93 HydrophobicContact CG-CD2 4.04Å; P86-L93 HydrophobicContact CG-CG 4.37Å; V89-L93 HydrophobicContact CB-CD1 3.97Å; V89-L93 HydrophobicContact CB-CG 4.4Å; V89-L93 HydrophobicContact CG1-CD1 4.31Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; L93-T98 HydrophobicContact CD2-CG2 4.1Å; L93-Q99 HydrophobicContact CB-CG 4.36Å; L93-Q99 HydrophobicContact CD1-CG 4.12Å; L93-F102 HydrophobicContact CD1-CB 4.3Å; L93-F102 HydrophobicContact CD1-CD2 4.2Å; L93-F102 HydrophobicContact CD1-CG 4.34Å; L93-F102 HydrophobicContact CD2-CD2 3.77Å; L93-F102 HydrophobicContact CD2-CE2 3.74Å; L93-L192 HydrophobicContact CD1-CD1 3.9Å | ||
| 94 | I | 95.5 | Very high | 96.3 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | trans | -101.6 | -43.9 | -166.4 | -53.8 | 167 | 0 | 0 | 0 | 112.1 | E41 V302 M305 K306 A309 | E41-I94 HydrophobicContact CG-CB 4.45Å; E41-I94 HydrophobicContact CG-CD1 4.49Å; E41-I94 PolarHBondContact OE1-N 2.85Å; E41-I94 PolarHBondContact OE2-N 3.04Å; I94-V302 HydrophobicContact CD1-CG1 3.98Å; I94-M305 HydrophobicContact CD1-CB 4.38Å; I94-M305 HydrophobicContact CD1-CE 4.22Å; I94-M305 HydrophobicContact CG2-CB 4Å; I94-M305 WeakPolarHBondContact CG2-O 3.33Å; I94-K306 HydrophobicContact CD1-CG 3.9Å; I94-K306 HydrophobicContact CG1-CG 3.94Å; I94-K306 HydrophobicContact CG2-CG 4.12Å; I94-A309 HydrophobicContact CG2-CB 3.74Å; I94-A309 VanDerWaalsContact O-CB 3.24Å; I94-A309 WeakPolarHBondContact O-CB 3.35Å | ||
| 95 | Q | 94.9 | Very high | 96.3 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -102.2 | 142.1 | -175.7 | -56.5 | -179 | -91.5 | 0 | 0 | 112.4 | G38 E41 I97 T98 Q99 M305 | G38-Q95 PolarHBondContact O-NE2 2.86Å; E41-Q95 WeakPolarHBondContact OE1-CB 3.42Å; E41-Q95 WeakPolarHBondContact OE1-CG 3.22Å; E41-Q95 PolarHBondContact OE1-N 2.8Å; Q95-I97 HydrophobicContact CB-CG2 4.02Å; Q95-I97 PolarHBondContact O-N 2.68Å; Q95-I97 VanDerWaalsContact O-N 3.16Å; Q95-T98 WeakPolarHBondContact O-CB 3.42Å; Q95-T98 PolarHBondContact O-N 3.25Å; Q95-Q99 PolarHBondContact O-N 3.33Å; Q95-M305 HydrophobicContact CG-CE 4.45Å |
| 96 | D | 94.7 | Very high | 96.3 | Very high | 53 Ų | 53 | 28.4 Ų | 28.4 | 28% | 0.283 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -53.8 | -37.7 | 175.8 | -57.9 | -32.7 | 0 | 0 | 0 | 112.6 | Q99 K100 K316 | D96-Q99 PolarHBondContact O-N 3.49Å; D96-K100 WeakPolarHBondContact O-CB 3.32Å; D96-K100 PolarHBondContact O-N 3.2Å; D96-K316 IonicContact OD2-NZ 2.8Å; D96-K316 PolarHBondContact OD2-NZ 2.95Å |
| 97 | I | 96.2 | Very high | 96.4 | Very high | 35 Ų | 35 | 30.5 Ų | 30.5 | 18% | 0.179 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 177.5 | -176.6 | 59.7 | 0 | 0 | 0 | 112.4 | L39 Q95 Q99 K100 L101 | L39-I97 HydrophobicContact CB-CG2 4.22Å; L39-I97 HydrophobicContact CD1-CG1 4.5Å; L39-I97 HydrophobicContact CD1-CG2 4.5Å; L39-I97 HydrophobicContact CG-CG2 4.49Å; Q95-I97 HydrophobicContact CB-CG2 4.02Å; Q95-I97 PolarHBondContact O-N 2.68Å; Q95-I97 VanDerWaalsContact O-N 3.16Å; I97-Q99 VanDerWaalsContact C-N 3.33Å; I97-Q99 PolarHBondContact O-N 2.93Å; I97-K100 HydrophobicContact CD1-CD 4.44Å; I97-K100 PolarHBondContact O-N 2.93Å; I97-L101 HydrophobicContact CD1-CD1 4.43Å; I97-L101 HydrophobicContact CD1-CG 4.26Å; I97-L101 HydrophobicContact CG1-CD1 4.4Å; I97-L101 WeakPolarHBondContact O-CG 3.24Å; I97-L101 PolarHBondContact O-N 3.25Å |
| 98 | T | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 175.1 | -57.5 | 0 | 0 | 0 | 0 | 110 | E41 Y44 F45 L93 Q95 K100 L101 F102 | E41-T98 HydrophobicContact CB-CG2 4.03Å; E41-T98 HydrophobicContact CG-CG2 4.49Å; E41-T98 WeakPolarHBondContact OE1-CB 3.22Å; E41-T98 WeakPolarHBondContact OE1-CG2 3.41Å; E41-T98 PolarHBondContact OE1-OG1 2.93Å; Y44-T98 HydrophobicContact CD2-CG2 4.22Å; F45-T98 HydrophobicContact CE2-CG2 3.93Å; F45-T98 HydrophobicContact CZ-CG2 4.09Å; L93-T98 HydrophobicContact CD2-CG2 4.1Å; Q95-T98 WeakPolarHBondContact O-CB 3.42Å; Q95-T98 PolarHBondContact O-N 3.25Å; T98-K100 PolarHBondContact O-N 2.9Å; T98-L101 PolarHBondContact O-N 3.2Å; T98-F102 HydrophobicContact CG2-CD2 3.92Å; T98-F102 HydrophobicContact CG2-CE2 4.04Å; T98-F102 WeakPolarHBondContact O-CD2 3.44Å; T98-F102 PolarHBondContact O-N 3.47Å |
| 99 | Q | 97.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | -178.5 | -151.9 | -148 | -83.7 | 0 | 0 | 111.7 | L93 Q95 D96 I97 F102 F103 D185 M188 L189 L192 | L93-Q99 HydrophobicContact CB-CG 4.36Å; L93-Q99 HydrophobicContact CD1-CG 4.12Å; Q95-Q99 PolarHBondContact O-N 3.33Å; D96-Q99 PolarHBondContact O-N 3.49Å; I97-Q99 VanDerWaalsContact C-N 3.33Å; I97-Q99 PolarHBondContact O-N 2.93Å; Q99-F102 PolarHBondContact O-N 3.48Å; Q99-F103 WeakPolarHBondContact O-CB 3.39Å; Q99-F103 PolarHBondContact O-N 3.26Å; Q99-D185 PolarHBondContact NE2-O 2.87Å; Q99-M188 VanDerWaalsContact NE2-CB 3.31Å; Q99-L189 HydrophobicContact CG-CD1 4.17Å; Q99-L189 VanDerWaalsContact NE2-N 3.13Å; Q99-L192 HydrophobicContact CG-CD1 4.17Å |
| 100 | K | 98.1 | Very high | 96.9 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 34% | 0.339 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61 | -45.6 | 174.3 | -177.8 | -168.8 | -176.3 | -164.3 | 0 | 112.1 | D13 D96 I97 T98 F103 L104 M188 | D13-K100 VanDerWaalsContact OD2-CE 3.25Å; D13-K100 WeakPolarHBondContact OD2-CE 3.35Å; D13-K100 IonicContact OD2-NZ 3.16Å; D13-K100 PolarHBondContact OD2-NZ 2.8Å; D96-K100 WeakPolarHBondContact O-CB 3.32Å; D96-K100 PolarHBondContact O-N 3.2Å; I97-K100 HydrophobicContact CD1-CD 4.44Å; I97-K100 PolarHBondContact O-N 2.93Å; T98-K100 PolarHBondContact O-N 2.9Å; K100-F103 PolarHBondContact O-N 2.86Å; K100-L104 HydrophobicContact CG-CD1 4.12Å; K100-L104 WeakPolarHBondContact O-CB 3.48Å; K100-L104 VanDerWaalsContact O-CG 3.31Å; K100-L104 WeakPolarHBondContact O-CG 3.5Å; K100-L104 PolarHBondContact O-N 3.15Å; K100-M188 HydrophobicContact CB-CE 4.01Å; K100-M188 HydrophobicContact CB-SD 3.98Å; K100-M188 HydrophobicContact CG-CE 4.34Å; K100-M188 HydrophobicContact CG-SD 3.96Å |
| 101 | L | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 178.6 | -69.9 | 179.4 | 0 | 0 | 0 | 112 | M12 D13 I37 L39 F45 F80 I97 T98 Q105 | M12-L101 HydrophobicContact CB-CD2 3.79Å; M12-L101 HydrophobicContact CG-CD2 4.05Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.38Å; I37-L101 HydrophobicContact CD1-CD1 4.02Å; L39-L101 HydrophobicContact CD1-CD1 3.82Å; F45-L101 HydrophobicContact CE1-CB 4.01Å; F45-L101 HydrophobicContact CE1-CD1 4.07Å; F45-L101 HydrophobicContact CZ-CB 4.21Å; F45-L101 HydrophobicContact CZ-CD1 4.34Å; F80-L101 HydrophobicContact CD1-CD1 4.14Å; F80-L101 HydrophobicContact CE1-CD1 3.78Å; I97-L101 HydrophobicContact CD1-CD1 4.43Å; I97-L101 HydrophobicContact CD1-CG 4.26Å; I97-L101 HydrophobicContact CG1-CD1 4.4Å; I97-L101 WeakPolarHBondContact O-CG 3.24Å; I97-L101 PolarHBondContact O-N 3.25Å; T98-L101 PolarHBondContact O-N 3.2Å; L101-Q105 WeakPolarHBondContact O-CB 3.5Å; L101-Q105 PolarHBondContact O-N 2.92Å |
| 102 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -49.9 | 171.4 | -92.9 | -75.1 | 0 | 0 | 0 | 111.8 | Y44 F45 A82 F84 F85 L93 T98 Q99 L104 Q105 V106 L192 | Y44-F102 HydrophobicContact CD1-CE2 4.34Å; Y44-F102 AromaticContact CD1-CZ 3.97Å; Y44-F102 HydrophobicContact CD1-CZ 3.97Å; Y44-F102 AromaticContact CD2-CE2 3.75Å; Y44-F102 HydrophobicContact CD2-CE2 3.75Å; Y44-F102 HydrophobicContact CD2-CZ 4.22Å; Y44-F102 HydrophobicContact CE2-CE2 4.43Å; Y44-F102 AromaticContact CG-CE2 3.7Å; Y44-F102 HydrophobicContact CG-CE2 3.7Å; Y44-F102 AromaticContact CG-CZ 3.7Å; Y44-F102 HydrophobicContact CG-CZ 3.7Å; F45-F102 HydrophobicContact CE2-CE2 4.38Å; F45-F102 HydrophobicContact CZ-CD2 4.17Å; F45-F102 HydrophobicContact CZ-CE2 4.04Å; A82-F102 HydrophobicContact CB-CD1 4.13Å; A82-F102 HydrophobicContact CB-CE1 3.61Å; A82-F102 HydrophobicContact CB-CE2 4.41Å; A82-F102 HydrophobicContact CB-CZ 3.78Å; F84-F102 WeakPolarHBondContact O-CZ 3.11Å; F85-F102 HydrophobicContact CD1-CD1 4.1Å; F85-F102 AromaticContact CD1-CE1 3.66Å; F85-F102 HydrophobicContact CD1-CE1 3.66Å; F85-F102 HydrophobicContact CE1-CD1 4.15Å; F85-F102 AromaticContact CE1-CE1 4Å; F85-F102 HydrophobicContact CE1-CE1 4Å; F85-F102 HydrophobicContact CG-CE1 4.08Å; L93-F102 HydrophobicContact CD1-CB 4.3Å; L93-F102 HydrophobicContact CD1-CD2 4.2Å; L93-F102 HydrophobicContact CD1-CG 4.34Å; L93-F102 HydrophobicContact CD2-CD2 3.77Å; L93-F102 HydrophobicContact CD2-CE2 3.74Å; T98-F102 HydrophobicContact CG2-CD2 3.92Å; T98-F102 HydrophobicContact CG2-CE2 4.04Å; T98-F102 WeakPolarHBondContact O-CD2 3.44Å; T98-F102 PolarHBondContact O-N 3.47Å; Q99-F102 PolarHBondContact O-N 3.48Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.98Å; F102-Q105 PolarHBondContact O-N 3.2Å; F102-V106 WeakPolarHBondContact O-CB 3.39Å; F102-V106 VanDerWaalsContact O-CG2 3.25Å; F102-V106 WeakPolarHBondContact O-CG2 3.42Å; F102-V106 PolarHBondContact O-N 3.16Å; F102-L192 HydrophobicContact CB-CD1 3.91Å; F102-L192 HydrophobicContact CB-CD2 4.27Å |
| 103 | F | 98.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.2 | -50 | 178 | 158.8 | -103.3 | 0 | 0 | 0 | 111.4 | Q99 K100 K107 A129 A132 M188 Y191 L192 | Q99-F103 WeakPolarHBondContact O-CB 3.39Å; Q99-F103 PolarHBondContact O-N 3.26Å; K100-F103 PolarHBondContact O-N 2.86Å; F103-K107 HydrophobicContact CE2-CD 4.31Å; F103-K107 HydrophobicContact CZ-CD 3.99Å; F103-K107 WeakPolarHBondContact O-CB 3.39Å; F103-K107 PolarHBondContact O-N 2.87Å; F103-A129 HydrophobicContact CE2-CB 4.22Å; F103-A129 HydrophobicContact CZ-CB 4.02Å; F103-A132 HydrophobicContact CE1-CB 4.31Å; F103-A132 HydrophobicContact CE2-CB 4.48Å; F103-A132 HydrophobicContact CZ-CB 3.91Å; F103-M188 HydrophobicContact CB-CB 3.95Å; F103-M188 HydrophobicContact CB-CG 4.18Å; F103-M188 HydrophobicContact CB-SD 4.32Å; F103-M188 HydrophobicContact CD1-CB 4.21Å; F103-M188 HydrophobicContact CD1-CG 3.5Å; F103-M188 VanDerWaalsContact CD1-CG 3.5Å; F103-M188 HydrophobicContact CD1-SD 3.45Å; F103-M188 WeakPolarHBondContact CD1-SD 3.46Å; F103-M188 HydrophobicContact CD2-CB 4.08Å; F103-M188 HydrophobicContact CD2-CG 4.01Å; F103-M188 HydrophobicContact CE1-CG 3.79Å; F103-M188 HydrophobicContact CE1-SD 3.95Å; F103-M188 HydrophobicContact CE2-CG 4.25Å; F103-M188 HydrophobicContact CG-CB 3.82Å; F103-M188 HydrophobicContact CG-CG 3.62Å; F103-M188 HydrophobicContact CG-SD 4.01Å; F103-M188 HydrophobicContact CZ-CG 4.16Å; F103-Y191 AromaticContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD2 4.11Å; F103-Y191 HydrophobicContact CD2-CE1 4.33Å; F103-Y191 AromaticContact CD2-CG 3.6Å; F103-Y191 HydrophobicContact CD2-CG 3.6Å; F103-Y191 HydrophobicContact CE2-CD1 4.03Å; F103-Y191 AromaticContact CE2-CD2 3.61Å; F103-Y191 HydrophobicContact CE2-CD2 3.61Å; F103-Y191 HydrophobicContact CE2-CE2 4.11Å; F103-Y191 AromaticContact CE2-CG 3.58Å; F103-Y191 HydrophobicContact CE2-CG 3.58Å; F103-L192 HydrophobicContact CB-CD1 4.15Å; F103-L192 HydrophobicContact CB-CG 4.27Å |
| 104 | L | 98.4 | Very high | 97.5 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | -179.5 | -68.5 | 172.6 | 0 | 0 | 0 | 112.5 | M12 D13 K100 F102 K107 E108 | M12-L104 HydrophobicContact CB-CB 3.53Å; M12-L104 HydrophobicContact CB-CD1 3.71Å; M12-L104 HydrophobicContact CB-CG 4.28Å; M12-L104 HydrophobicContact CE-CB 4.04Å; M12-L104 HydrophobicContact CG-CB 3.88Å; D13-L104 HydrophobicContact CB-CD1 3.86Å; K100-L104 HydrophobicContact CG-CD1 4.12Å; K100-L104 WeakPolarHBondContact O-CB 3.48Å; K100-L104 VanDerWaalsContact O-CG 3.31Å; K100-L104 WeakPolarHBondContact O-CG 3.5Å; K100-L104 PolarHBondContact O-N 3.15Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.98Å; L104-K107 PolarHBondContact O-N 3.34Å; L104-E108 PolarHBondContact O-N 2.99Å |
| 105 | Q | 98.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.2 | -40.7 | 178.9 | -175.4 | 174.8 | -44.7 | 0 | 0 | 112.2 | M12 A82 L101 F102 K107 E108 G109 | M12-Q105 HydrophobicContact CE-CB 4.45Å; M12-Q105 HydrophobicContact CG-CB 4.15Å; M12-Q105 HydrophobicContact SD-CB 3.73Å; M12-Q105 HydrophobicContact SD-CG 4.24Å; A82-Q105 PolarHBondContact O-NE2 2.85Å; L101-Q105 WeakPolarHBondContact O-CB 3.5Å; L101-Q105 PolarHBondContact O-N 2.92Å; F102-Q105 PolarHBondContact O-N 3.2Å; Q105-K107 VanDerWaalsContact C-N 3.34Å; Q105-E108 WeakPolarHBondContact O-CB 3.31Å; Q105-E108 PolarHBondContact O-N 3.22Å; Q105-G109 PolarHBondContact O-N 2.79Å |
| 106 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | F85 F102 G109 I110 I115 Y191 L192 A195 Y201 | F85-V106 HydrophobicContact CE1-CG2 3.98Å; F102-V106 WeakPolarHBondContact O-CB 3.39Å; F102-V106 VanDerWaalsContact O-CG2 3.25Å; F102-V106 WeakPolarHBondContact O-CG2 3.42Å; F102-V106 PolarHBondContact O-N 3.16Å; V106-G109 PolarHBondContact O-N 3.35Å; V106-I110 HydrophobicContact CG1-CD1 3.9Å; V106-I110 WeakPolarHBondContact O-CG1 3.44Å; V106-I110 PolarHBondContact O-N 2.64Å; V106-I115 HydrophobicContact CG1-CD1 4.49Å; V106-Y191 HydrophobicContact CG1-CE1 4.24Å; V106-L192 HydrophobicContact CB-CD2 4.02Å; V106-L192 HydrophobicContact CG1-CD2 4.36Å; V106-L192 HydrophobicContact CG2-CD2 3.82Å; V106-A195 HydrophobicContact CG1-CB 3.71Å; V106-Y201 HydrophobicContact CG1-CD2 4.02Å; V106-Y201 HydrophobicContact CG1-CE2 3.96Å; V106-Y201 HydrophobicContact CG2-CD2 4.27Å; V106-Y201 HydrophobicContact CG2-CE2 3.65Å |
| 107 | K | 98.5 | Very high | 98 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 172.2 | -166.3 | -178 | 80.4 | 71.4 | 0 | 112.5 | F103 L104 Q105 L111 A129 Y191 | F103-K107 HydrophobicContact CE2-CD 4.31Å; F103-K107 HydrophobicContact CZ-CD 3.99Å; F103-K107 WeakPolarHBondContact O-CB 3.39Å; F103-K107 PolarHBondContact O-N 2.87Å; L104-K107 PolarHBondContact O-N 3.34Å; Q105-K107 VanDerWaalsContact C-N 3.34Å; K107-L111 HydrophobicContact CD-CD1 4.42Å; K107-L111 HydrophobicContact CG-CD1 3.81Å; K107-L111 HydrophobicContact CG-CG 4.24Å; K107-L111 VanDerWaalsContact O-CB 3.29Å; K107-L111 WeakPolarHBondContact O-CB 2.92Å; K107-L111 WeakPolarHBondContact O-CD1 3.05Å; K107-L111 WeakPolarHBondContact O-CG 3.34Å; K107-L111 PolarHBondContact O-N 3.29Å; K107-A129 HydrophobicContact CD-CB 3.78Å; K107-Y191 WeakPolarHBondContact CA-OH 3.19Å; K107-Y191 HydrophobicContact CB-CE1 4.24Å; K107-Y191 HydrophobicContact CD-CE2 4.5Å; K107-Y191 HydrophobicContact CG-CE2 4.3Å |
| 108 | E | 97.9 | Very high | 98.1 | Very high | 83 Ų | 83 | 28.8 Ų | 28.8 | 39% | 0.388 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.1 | -55.4 | 170 | -179.8 | 177.5 | -155.2 | 0 | 0 | 109.6 | M12 R81 L104 Q105 I110 L111 S112 | M12-E108 HydrophobicContact CE-CB 4.05Å; M12-E108 WeakPolarHBondContact CE-OE2 3.45Å; R81-E108 IonicContact CZ-OE2 2.8Å; R81-E108 IonicContact NE-OE2 2.72Å; R81-E108 PolarHBondContact NE-OE2 3.05Å; R81-E108 IonicContact NH2-OE1 2.72Å; R81-E108 IonicContact NH2-OE2 3.34Å; R81-E108 PolarHBondContact NH2-OE2 2.95Å; L104-E108 PolarHBondContact O-N 2.99Å; Q105-E108 WeakPolarHBondContact O-CB 3.31Å; Q105-E108 PolarHBondContact O-N 3.22Å; E108-I110 PolarHBondContact O-N 3.32Å; E108-L111 PolarHBondContact O-N 3.22Å; E108-S112 WeakPolarHBondContact O-CB 3.35Å; E108-S112 PolarHBondContact O-N 3.29Å; E108-S112 PolarHBondContact O-OG 2.82Å |
| 109 | G | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -35 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q105 V106 S112 E114 I115 | Q105-G109 PolarHBondContact O-N 2.79Å; V106-G109 PolarHBondContact O-N 3.35Å; G109-S112 WeakPolarHBondContact CA-OG 3.26Å; G109-S112 PolarHBondContact O-OG 2.99Å; G109-S112 VanDerWaalsContact O-OG 3.13Å; G109-E114 PolarHBondContact O-N 3.13Å; G109-I115 PolarHBondContact O-N 3.45Å |
| 110 | I | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.4 | -47.8 | 174.3 | -71.2 | 171.1 | 0 | 0 | 0 | 110.5 | V106 E108 S112 D113 I115 C117 L125 P154 Y191 A195 L198 | V106-I110 HydrophobicContact CG1-CD1 3.9Å; V106-I110 WeakPolarHBondContact O-CG1 3.44Å; V106-I110 PolarHBondContact O-N 2.64Å; E108-I110 PolarHBondContact O-N 3.32Å; I110-S112 PolarHBondContact O-N 2.81Å; I110-D113 PolarHBondContact O-N 3.06Å; I110-D113 VanDerWaalsContact O-N 3.11Å; I110-I115 HydrophobicContact CG1-CB 3.92Å; I110-I115 HydrophobicContact CG1-CD1 4.41Å; I110-I115 HydrophobicContact CG1-CG2 3.96Å; I110-C117 HydrophobicContact CG2-CB 3.81Å; I110-L125 HydrophobicContact CD1-CD1 3.77Å; I110-P154 HydrophobicContact CG2-CG 4.21Å; I110-P154 WeakPolarHBondContact O-CG 3.46Å; I110-Y191 HydrophobicContact CD1-CE1 4.32Å; I110-A195 HydrophobicContact CD1-CB 4.02Å; I110-L198 HydrophobicContact CD1-CD1 3.63Å; I110-L198 HydrophobicContact CG1-CD1 4.11Å |
| 111 | L | 98.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.9 | -26.4 | -177.4 | -68.2 | 175 | 0 | 0 | 0 | 113.1 | K107 E108 D113 R151 L152 | K107-L111 HydrophobicContact CD-CD1 4.42Å; K107-L111 HydrophobicContact CG-CD1 3.81Å; K107-L111 HydrophobicContact CG-CG 4.24Å; K107-L111 VanDerWaalsContact O-CB 3.29Å; K107-L111 WeakPolarHBondContact O-CB 2.92Å; K107-L111 WeakPolarHBondContact O-CD1 3.05Å; K107-L111 WeakPolarHBondContact O-CG 3.34Å; K107-L111 PolarHBondContact O-N 3.29Å; E108-L111 PolarHBondContact O-N 3.22Å; L111-D113 VanDerWaalsContact C-N 3.35Å; L111-R151 HydrophobicContact CD1-CG 4.34Å; L111-R151 WeakPolarHBondContact CD1-O 3.15Å; L111-R151 HydrophobicContact CD2-CG 4.33Å; L111-R151 PolarHBondContact O-NE 3.5Å; L111-R151 PolarHBondContact O-NH2 3.47Å; L111-L152 VanDerWaalsContact CD2-C 3.43Å |
| 112 | S | 97.5 | Very high | 98.1 | Very high | 53 Ų | 53 | 27 Ų | 27 | 37% | 0.371 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.2 | 175.2 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | E108 G109 I110 E114 | E108-S112 WeakPolarHBondContact O-CB 3.35Å; E108-S112 PolarHBondContact O-N 3.29Å; E108-S112 PolarHBondContact O-OG 2.82Å; G109-S112 WeakPolarHBondContact CA-OG 3.26Å; G109-S112 PolarHBondContact O-OG 2.99Å; G109-S112 VanDerWaalsContact O-OG 3.13Å; I110-S112 PolarHBondContact O-N 2.81Å; S112-E114 PolarHBondContact O-N 2.87Å; S112-E114 WeakPolarHBondContact OG-CG 3.47Å; S112-E114 PolarHBondContact OG-N 3.03Å |
| 113 | D | 96.9 | Very high | 98.1 | Very high | 52 Ų | 52 | 27 Ų | 27 | 28% | 0.278 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 20.5 | -169.4 | -75.6 | -71 | 0 | 0 | 0 | 114 | I110 L111 I115 P154 R156 | I110-D113 PolarHBondContact O-N 3.06Å; I110-D113 VanDerWaalsContact O-N 3.11Å; L111-D113 VanDerWaalsContact C-N 3.35Å; D113-I115 VanDerWaalsContact C-N 3.31Å; D113-P154 VanDerWaalsContact OD2-CB 3.22Å; D113-P154 WeakPolarHBondContact OD2-CB 3.3Å; D113-R156 IonicContact OD1-CZ 3.81Å; D113-R156 VanDerWaalsContact OD1-CZ 3.22Å; D113-R156 IonicContact OD1-NE 3.81Å; D113-R156 PolarHBondContact OD1-NE 2.71Å; D113-R156 IonicContact OD1-NH2 2.74Å; D113-R156 PolarHBondContact OD1-NH2 2.71Å |
| 114 | E | 96.8 | Very high | 98.1 | Very high | 150 Ų | 150 | 26.4 Ų | 26.4 | 70% | 0.701 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -67.7 | -33.7 | 165.4 | -76.1 | -173.2 | 176.4 | 0 | 0 | 111.7 | G109 S112 M200 | G109-E114 PolarHBondContact O-N 3.13Å; S112-E114 PolarHBondContact O-N 2.87Å; S112-E114 WeakPolarHBondContact OG-CG 3.47Å; S112-E114 PolarHBondContact OG-N 3.03Å; E114-M200 WeakPolarHBondContact O-CE 3.35Å |
| 115 | I | 98.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -110.5 | 113.1 | 171.3 | -57.4 | 174.9 | 0 | 0 | 0 | 106.9 | V106 G109 I110 D113 C117 L198 M200 | V106-I115 HydrophobicContact CG1-CD1 4.49Å; G109-I115 PolarHBondContact O-N 3.45Å; I110-I115 HydrophobicContact CG1-CB 3.92Å; I110-I115 HydrophobicContact CG1-CD1 4.41Å; I110-I115 HydrophobicContact CG1-CG2 3.96Å; D113-I115 VanDerWaalsContact C-N 3.31Å; I115-C117 PolarHBondContact O-N 2.86Å; I115-L198 HydrophobicContact CG2-CB 4.33Å; I115-L198 HydrophobicContact CG2-CD1 4Å; I115-M200 HydrophobicContact CG2-CB 4.22Å |
| 116 | Y | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | trans | -59.1 | 137 | 172.8 | 171.7 | -94.3 | 0 | 0 | 0 | 110.9 | P118 R156 M200 L234 N550 H554 | Y116-P118 HydrophobicContact CE1-CB 4.46Å; Y116-R156 VanDerWaalsContact CE2-NH1 3.27Å; Y116-M200 VanDerWaalsContact CB-SD 3.55Å; Y116-M200 PolarHBondContact N-SD 2.74Å; Y116-L234 HydrophobicContact CD1-CD1 3.89Å; Y116-L234 HydrophobicContact CD1-CD2 3.93Å; Y116-L234 HydrophobicContact CE1-CD1 4.09Å; Y116-L234 HydrophobicContact CG-CD1 4.36Å; Y116-L234 HydrophobicContact CG-CD2 4.08Å; Y116-N550 HydrophobicContact CD2-CB 3.45Å; Y116-N550 VanDerWaalsContact CD2-CB 3.45Å; Y116-N550 HydrophobicContact CE2-CB 3.78Å; Y116-N550 HydrophobicContact CG-CB 4.04Å; Y116-H554 HydrophobicContact CE1-CB 3.56Å; Y116-H554 AromaticContact CE1-CG 3.57Å; Y116-H554 AromaticContact CE1-ND1 3.76Å; Y116-H554 AromaticContact CZ-CG 3.95Å; Y116-H554 WeakPolarHBondContact OH-CB 3.44Å | ||
| 117 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -143.9 | 126.9 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | I110 I115 R156 L198 | I110-C117 HydrophobicContact CG2-CB 3.81Å; I115-C117 PolarHBondContact O-N 2.86Å; C117-R156 PolarHBondContact O-NH1 2.95Å; C117-R156 VanDerWaalsContact O-NH1 3.07Å; C117-R156 PolarHBondContact O-NH2 2.91Å; C117-L198 HydrophobicContact CB-CD1 4.02Å; C117-L198 HydrophobicContact CB-CD2 4.4Å | ||
| 118 | P | 98 | Very high | 98.1 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | trans | -70.4 | 156.8 | 179.8 | 30.1 | -35.5 | 0 | 0 | 0 | 111.7 | Y116 E120 T121 A122 | Y116-P118 HydrophobicContact CE1-CB 4.46Å; P118-E120 PolarHBondContact O-N 3.49Å; P118-T121 PolarHBondContact O-N 3.44Å; P118-A122 WeakPolarHBondContact O-CB 3.42Å; P118-A122 PolarHBondContact O-N 2.93Å | ||
| 119 | P | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.9 | -48.9 | -171.6 | -29.9 | 37.4 | 0 | 0 | 0 | 115.3 | A122 V123 V157 L538 | P119-A122 WeakPolarHBondContact O-CB 3.48Å; P119-A122 PolarHBondContact O-N 2.98Å; P119-V123 WeakPolarHBondContact O-CG2 3.48Å; P119-V123 PolarHBondContact O-N 3.35Å; P119-V157 HydrophobicContact CB-CG1 3.92Å; P119-V157 HydrophobicContact CG-CG1 4.46Å; P119-L538 HydrophobicContact CB-CD1 3.86Å |
| 120 | E | 97.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 17.5 Ų | 17.5 | 14% | 0.136 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 178.4 | 39.6 | -93.7 | -114 | 0 | 0 | 112.2 | P118 A122 V123 L124 L534 S535 R542 | P118-E120 PolarHBondContact O-N 3.49Å; E120-A122 VanDerWaalsContact C-N 3.34Å; E120-A122 PolarHBondContact O-N 3.37Å; E120-V123 PolarHBondContact O-N 3.01Å; E120-L124 PolarHBondContact O-N 3.13Å; E120-L124 VanDerWaalsContact O-N 3.13Å; E120-L534 HydrophobicContact CB-CB 3.85Å; E120-S535 VanDerWaalsContact OE1-CB 3.24Å; E120-S535 WeakPolarHBondContact OE1-CB 3.44Å; E120-S535 PolarHBondContact OE1-OG 2.88Å; E120-R542 IonicContact OE2-CZ 2.8Å; E120-R542 IonicContact OE2-NH2 3.39Å; E120-R542 PolarHBondContact OE2-NH2 2.89Å |
| 121 | T | 98.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 17.4 Ų | 17.4 | 10% | 0.098 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | P118 V123 L124 L125 I194 L198 | P118-T121 PolarHBondContact O-N 3.44Å; T121-V123 PolarHBondContact O-N 3.46Å; T121-L124 PolarHBondContact O-N 3.29Å; T121-L125 HydrophobicContact CG2-CD1 3.89Å; T121-L125 HydrophobicContact CG2-CG 4.08Å; T121-L125 VanDerWaalsContact O-CB 3.26Å; T121-L125 WeakPolarHBondContact O-CB 3.44Å; T121-L125 VanDerWaalsContact O-CG 3.22Å; T121-L125 WeakPolarHBondContact O-CG 3.45Å; T121-L125 PolarHBondContact O-N 2.7Å; T121-I194 HydrophobicContact CG2-CG2 3.64Å; T121-L198 HydrophobicContact CG2-CD2 4.26Å |
| 122 | A | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P118 P119 E120 G126 I153 P154 V157 | P118-A122 WeakPolarHBondContact O-CB 3.42Å; P118-A122 PolarHBondContact O-N 2.93Å; P119-A122 WeakPolarHBondContact O-CB 3.48Å; P119-A122 PolarHBondContact O-N 2.98Å; E120-A122 VanDerWaalsContact C-N 3.34Å; E120-A122 PolarHBondContact O-N 3.37Å; A122-G126 PolarHBondContact O-N 3.3Å; A122-I153 HydrophobicContact CB-CG2 4.2Å; A122-I153 WeakPolarHBondContact O-CG2 3.45Å; A122-P154 HydrophobicContact CB-CG 4.44Å; A122-V157 HydrophobicContact CB-CG1 4.49Å; A122-V157 HydrophobicContact CB-CG2 4.08Å |
| 123 | V | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.1 | -44.2 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | P119 E120 T121 G126 S127 I153 W168 I172 L534 L538 | P119-V123 WeakPolarHBondContact O-CG2 3.48Å; P119-V123 PolarHBondContact O-N 3.35Å; E120-V123 PolarHBondContact O-N 3.01Å; T121-V123 PolarHBondContact O-N 3.46Å; V123-G126 WeakPolarHBondContact O-CA 3.44Å; V123-G126 PolarHBondContact O-N 2.82Å; V123-G126 VanDerWaalsContact O-N 3.16Å; V123-S127 PolarHBondContact O-N 2.92Å; V123-I153 HydrophobicContact CG2-CG2 4.41Å; V123-W168 HydrophobicContact CG2-CE3 4.15Å; V123-W168 HydrophobicContact CG2-CZ3 3.55Å; V123-I172 HydrophobicContact CG1-CG1 4.04Å; V123-L534 HydrophobicContact CB-CD1 4.38Å; V123-L534 HydrophobicContact CB-CD2 3.86Å; V123-L534 HydrophobicContact CG1-CD1 4.38Å; V123-L534 HydrophobicContact CG1-CD2 3.51Å; V123-L538 HydrophobicContact CG2-CD1 4.07Å |
| 124 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.3 | -175.3 | 56.2 | 0 | 0 | 0 | 111 | E120 T121 G126 S127 Y128 I194 V527 Q530 L531 L534 | E120-L124 PolarHBondContact O-N 3.13Å; E120-L124 VanDerWaalsContact O-N 3.13Å; T121-L124 PolarHBondContact O-N 3.29Å; L124-G126 VanDerWaalsContact C-N 3.31Å; L124-G126 PolarHBondContact O-N 3.07Å; L124-S127 PolarHBondContact O-N 3.35Å; L124-S127 VanDerWaalsContact O-N 3.13Å; L124-S127 PolarHBondContact O-OG 3.27Å; L124-Y128 HydrophobicContact CD1-CD2 4.26Å; L124-Y128 HydrophobicContact CD1-CE2 3.73Å; L124-Y128 HydrophobicContact CD2-CE2 4.4Å; L124-Y128 HydrophobicContact CG-CD2 4.15Å; L124-Y128 HydrophobicContact CG-CE2 3.77Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.44Å; L124-Y128 PolarHBondContact O-N 3.15Å; L124-Y128 VanDerWaalsContact O-N 3.12Å; L124-I194 HydrophobicContact CD2-CD1 3.94Å; L124-I194 HydrophobicContact CG-CD1 4.3Å; L124-V527 HydrophobicContact CD2-CG1 4.31Å; L124-Q530 HydrophobicContact CD1-CB 4.11Å; L124-Q530 HydrophobicContact CD2-CB 4.04Å; L124-L531 HydrophobicContact CB-CD2 4.31Å; L124-L531 HydrophobicContact CD2-CD2 3.68Å; L124-L531 HydrophobicContact CD2-CG 3.86Å; L124-L534 HydrophobicContact CB-CD1 3.73Å; L124-L534 HydrophobicContact CD1-CD1 4.46Å |
| 125 | L | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.8 | -40.6 | 172.6 | -73.1 | -178.5 | 0 | 0 | 0 | 112 | I110 T121 S127 Y128 A129 Y191 I194 A195 | I110-L125 HydrophobicContact CD1-CD1 3.77Å; T121-L125 HydrophobicContact CG2-CD1 3.89Å; T121-L125 HydrophobicContact CG2-CG 4.08Å; T121-L125 VanDerWaalsContact O-CB 3.26Å; T121-L125 WeakPolarHBondContact O-CB 3.44Å; T121-L125 VanDerWaalsContact O-CG 3.22Å; T121-L125 WeakPolarHBondContact O-CG 3.45Å; T121-L125 PolarHBondContact O-N 2.7Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.09Å; L125-Y128 PolarHBondContact O-N 3Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.38Å; L125-Y191 HydrophobicContact CB-CD2 3.96Å; L125-Y191 HydrophobicContact CB-CE2 3.53Å; L125-Y191 HydrophobicContact CD2-CD1 4.04Å; L125-Y191 HydrophobicContact CD2-CD2 3.76Å; L125-Y191 HydrophobicContact CD2-CE1 4.21Å; L125-Y191 HydrophobicContact CD2-CE2 3.98Å; L125-Y191 HydrophobicContact CD2-CG 3.77Å; L125-Y191 VanDerWaalsContact CD2-O 3.25Å; L125-Y191 WeakPolarHBondContact CD2-O 3.4Å; L125-Y191 HydrophobicContact CG-CD2 4.43Å; L125-Y191 HydrophobicContact CG-CE2 4.22Å; L125-Y191 WeakPolarHBondContact O-CD2 3.29Å; L125-Y191 WeakPolarHBondContact O-CE2 3.46Å; L125-I194 HydrophobicContact CD2-CB 3.91Å; L125-I194 HydrophobicContact CD2-CG2 3.86Å; L125-I194 HydrophobicContact CG-CG2 4.24Å; L125-A195 HydrophobicContact CD1-CB 4.36Å; L125-A195 HydrophobicContact CD2-CB 4.46Å |
| 126 | G | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -54.5 | -46.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A122 V123 L124 A129 V130 | A122-G126 PolarHBondContact O-N 3.3Å; V123-G126 WeakPolarHBondContact O-CA 3.44Å; V123-G126 PolarHBondContact O-N 2.82Å; V123-G126 VanDerWaalsContact O-N 3.16Å; L124-G126 VanDerWaalsContact C-N 3.31Å; L124-G126 PolarHBondContact O-N 3.07Å; G126-A129 PolarHBondContact O-N 3.3Å; G126-V130 WeakPolarHBondContact O-CG2 3.38Å; G126-V130 PolarHBondContact O-N 3.49Å |
| 127 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 178.6 | 73.4 | 0 | 0 | 0 | 0 | 113.7 | V123 L124 L125 A129 V130 Q131 W175 H179 | V123-S127 PolarHBondContact O-N 2.92Å; L124-S127 PolarHBondContact O-N 3.35Å; L124-S127 VanDerWaalsContact O-N 3.13Å; L124-S127 PolarHBondContact O-OG 3.27Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.09Å; S127-A129 VanDerWaalsContact C-N 3.34Å; S127-V130 PolarHBondContact O-N 3.21Å; S127-Q131 PolarHBondContact O-N 2.97Å; S127-W175 VanDerWaalsContact CB-CB 3.48Å; S127-H179 PolarHBondContact OG-NE2 3.44Å |
| 128 | Y | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 172.1 | -77.2 | -66.6 | 0 | 0 | 0 | 112 | L124 L125 V130 Q131 A132 H179 M182 E190 I194 | L124-Y128 HydrophobicContact CD1-CD2 4.26Å; L124-Y128 HydrophobicContact CD1-CE2 3.73Å; L124-Y128 HydrophobicContact CD2-CE2 4.4Å; L124-Y128 HydrophobicContact CG-CD2 4.15Å; L124-Y128 HydrophobicContact CG-CE2 3.77Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.44Å; L124-Y128 PolarHBondContact O-N 3.15Å; L124-Y128 VanDerWaalsContact O-N 3.12Å; L125-Y128 PolarHBondContact O-N 3Å; Y128-V130 VanDerWaalsContact C-N 3.33Å; Y128-V130 PolarHBondContact O-N 3.35Å; Y128-Q131 PolarHBondContact O-N 3.11Å; Y128-A132 WeakPolarHBondContact O-CB 3.39Å; Y128-A132 PolarHBondContact O-N 3.47Å; Y128-H179 AromaticContact CD1-CE1 3.77Å; Y128-H179 AromaticContact CD1-NE2 3.79Å; Y128-H179 AromaticContact CE1-CE1 3.27Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.47Å; Y128-H179 AromaticContact CE1-ND1 3.45Å; Y128-H179 WeakPolarHBondContact CE1-ND1 3.16Å; Y128-H179 AromaticContact CE1-NE2 3.78Å; Y128-H179 AromaticContact CE2-CE1 3.79Å; Y128-H179 AromaticContact CG-NE2 3.95Å; Y128-H179 AromaticContact CZ-CE1 3.28Å; Y128-H179 AromaticContact CZ-ND1 3.85Å; Y128-H179 AromaticContact CZ-NE2 3.94Å; Y128-M182 HydrophobicContact CD1-SD 4.08Å; Y128-M182 HydrophobicContact CE1-CE 3.95Å; Y128-M182 HydrophobicContact CE1-SD 3.83Å; Y128-E190 HydrophobicContact CD1-CB 4.01Å; Y128-E190 HydrophobicContact CE1-CB 3.67Å; Y128-E190 HydrophobicContact CE1-CG 4.36Å; Y128-I194 HydrophobicContact CD2-CD1 4.11Å; Y128-I194 HydrophobicContact CE2-CD1 3.52Å |
| 129 | A | 98.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F103 K107 L125 G126 S127 K133 Y191 | F103-A129 HydrophobicContact CE2-CB 4.22Å; F103-A129 HydrophobicContact CZ-CB 4.02Å; K107-A129 HydrophobicContact CD-CB 3.78Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.38Å; G126-A129 PolarHBondContact O-N 3.3Å; S127-A129 VanDerWaalsContact C-N 3.34Å; A129-K133 WeakPolarHBondContact O-CB 3.37Å; A129-K133 PolarHBondContact O-N 2.82Å; A129-K133 VanDerWaalsContact O-N 3.1Å; A129-Y191 HydrophobicContact CB-CD2 4.23Å; A129-Y191 HydrophobicContact CB-CE2 4.07Å |
| 130 | V | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.3 | -50.1 | 171.2 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | G126 S127 Y128 A132 K133 F134 Y146 L147 L152 I172 H176 | G126-V130 WeakPolarHBondContact O-CG2 3.38Å; G126-V130 PolarHBondContact O-N 3.49Å; S127-V130 PolarHBondContact O-N 3.21Å; Y128-V130 VanDerWaalsContact C-N 3.33Å; Y128-V130 PolarHBondContact O-N 3.35Å; V130-A132 VanDerWaalsContact C-N 3.29Å; V130-A132 PolarHBondContact O-N 3.45Å; V130-K133 PolarHBondContact O-N 2.96Å; V130-K133 VanDerWaalsContact O-N 3.07Å; V130-F134 HydrophobicContact CG1-CD2 3.71Å; V130-F134 HydrophobicContact CG1-CE2 4.28Å; V130-F134 WeakPolarHBondContact O-CD2 3.41Å; V130-F134 PolarHBondContact O-N 3.03Å; V130-Y146 HydrophobicContact CG1-CE2 4.3Å; V130-L147 HydrophobicContact CG1-CD2 3.82Å; V130-L147 HydrophobicContact CG2-CD1 4.22Å; V130-L147 HydrophobicContact CG2-CD2 3.79Å; V130-L152 HydrophobicContact CG2-CD1 3.72Å; V130-L152 HydrophobicContact CG2-CD2 3.72Å; V130-L152 HydrophobicContact CG2-CG 4.37Å; V130-I172 HydrophobicContact CG2-CG2 3.87Å; V130-H176 HydrophobicContact CG1-CB 4.22Å; V130-H176 VanDerWaalsContact CG1-CE1 3.46Å; V130-H176 WeakPolarHBondContact CG1-CE1 3.49Å; V130-H176 VanDerWaalsContact CG1-ND1 3.31Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.36Å |
| 131 | Q | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -41.7 | 175.7 | -178.2 | 71.9 | 21.7 | 0 | 0 | 111.7 | S127 Y128 K133 G135 D136 H176 H179 M182 A187 | S127-Q131 PolarHBondContact O-N 2.97Å; Y128-Q131 PolarHBondContact O-N 3.11Å; Q131-K133 VanDerWaalsContact C-N 3.34Å; Q131-K133 PolarHBondContact O-N 3.27Å; Q131-G135 VanDerWaalsContact O-CA 3.27Å; Q131-G135 WeakPolarHBondContact O-CA 3.39Å; Q131-G135 PolarHBondContact O-N 2.78Å; Q131-D136 PolarHBondContact NE2-OD1 2.89Å; Q131-H176 PolarHBondContact OE1-CD2 2.99Å; Q131-H176 PolarHBondContact OE1-NE2 3.49Å; Q131-H179 HydrophobicContact CB-CB 3.99Å; Q131-H179 HydrophobicContact CG-CB 3.76Å; Q131-H179 PolarHBondContact NE2-O 2.89Å; Q131-M182 HydrophobicContact CG-CB 4.22Å; Q131-M182 PolarHBondContact NE2-O 3.49Å; Q131-A187 HydrophobicContact CB-CB 4.06Å; Q131-A187 HydrophobicContact CG-CB 3.81Å |
| 132 | A | 97.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F103 Y128 V130 K184 A187 M188 | F103-A132 HydrophobicContact CE1-CB 4.31Å; F103-A132 HydrophobicContact CE2-CB 4.48Å; F103-A132 HydrophobicContact CZ-CB 3.91Å; Y128-A132 WeakPolarHBondContact O-CB 3.39Å; Y128-A132 PolarHBondContact O-N 3.47Å; V130-A132 VanDerWaalsContact C-N 3.29Å; V130-A132 PolarHBondContact O-N 3.45Å; A132-K184 WeakPolarHBondContact O-CD 3.32Å; A132-K184 WeakPolarHBondContact O-CG 3.26Å; A132-A187 HydrophobicContact CB-CB 4.12Å; A132-M188 HydrophobicContact CB-CG 3.63Å |
| 133 | K | 96.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 45 Ų | 45 | 47% | 0.47 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -79.7 | -57.3 | 178.8 | -173.5 | 174.9 | -174 | -179.2 | 0 | 111.9 | A129 V130 Q131 E150 K184 | A129-K133 WeakPolarHBondContact O-CB 3.37Å; A129-K133 PolarHBondContact O-N 2.82Å; A129-K133 VanDerWaalsContact O-N 3.1Å; V130-K133 PolarHBondContact O-N 2.96Å; V130-K133 VanDerWaalsContact O-N 3.07Å; Q131-K133 VanDerWaalsContact C-N 3.34Å; Q131-K133 PolarHBondContact O-N 3.27Å; K133-E150 WeakPolarHBondContact CD-OE2 3.16Å; K133-E150 IonicContact NZ-OE1 2.75Å; K133-E150 PolarHBondContact NZ-OE1 3.31Å; K133-E150 IonicContact NZ-OE2 2.76Å; K133-E150 PolarHBondContact NZ-OE2 3.13Å; K133-K184 PolarHBondContact O-NZ 3.46Å |
| 134 | F | 96.2 | Very high | 96 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 29% | 0.285 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -88.1 | -35.2 | -169.6 | -63.9 | -86.1 | 0 | 0 | 0 | 112.5 | V130 L147 E150 K184 | V130-F134 HydrophobicContact CG1-CD2 3.71Å; V130-F134 HydrophobicContact CG1-CE2 4.28Å; V130-F134 WeakPolarHBondContact O-CD2 3.41Å; V130-F134 PolarHBondContact O-N 3.03Å; F134-L147 HydrophobicContact CD2-CD2 4.47Å; F134-L147 HydrophobicContact CE2-CD2 3.83Å; F134-L147 HydrophobicContact CZ-CD2 4.33Å; F134-E150 HydrophobicContact CE2-CG 4.39Å; F134-E150 HydrophobicContact CZ-CG 4.43Å; F134-K184 PolarHBondContact O-NZ 3.22Å |
| 135 | G | 95.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | trans | 81.9 | -174.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q131 Y137 H176 | Q131-G135 VanDerWaalsContact O-CA 3.27Å; Q131-G135 WeakPolarHBondContact O-CA 3.39Å; Q131-G135 PolarHBondContact O-N 2.78Å; G135-Y137 PolarHBondContact O-N 3.48Å; G135-H176 PolarHBondContact O-NE2 2.92Å | ||
| 136 | D | 95.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -42.6 | 131.8 | -171.6 | -80.4 | 13.3 | 0 | 0 | 0 | 115.5 | Q131 N138 R180 G181 | Q131-D136 PolarHBondContact NE2-OD1 2.89Å; D136-N138 PolarHBondContact O-N 2.71Å; D136-N138 VanDerWaalsContact O-N 3.15Å; D136-R180 HydrophobicContact CB-CG 4.32Å; D136-R180 VanDerWaalsContact OD2-CG 3.26Å; D136-R180 WeakPolarHBondContact OD2-CG 3.23Å; D136-G181 PolarHBondContact OD1-N 3.24Å; D136-G181 PolarHBondContact OD2-N 3.34Å |
| 137 | Y | 96.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 54 Ų | 54 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | trans | -61.8 | 114.9 | 173.8 | 179.4 | -108.8 | 0 | 0 | 0 | 112.6 | G135 K139 H142 Y146 Q173 H176 A177 | G135-Y137 PolarHBondContact O-N 3.48Å; Y137-K139 HydrophobicContact CE1-CB 4.38Å; Y137-H142 HydrophobicContact CD2-CB 3.84Å; Y137-H142 AromaticContact CD2-ND1 3.53Å; Y137-H142 HydrophobicContact CE2-CB 3.57Å; Y137-Y146 HydrophobicContact CE2-CE1 4.49Å; Y137-Q173 HydrophobicContact CD2-CG 4.1Å; Y137-Q173 HydrophobicContact CE2-CG 3.52Å; Y137-Q173 PolarHBondContact OH-OE1 3.45Å; Y137-Q173 VanDerWaalsContact OH-OE1 3.09Å; Y137-H176 AromaticContact CD2-ND1 3.8Å; Y137-A177 HydrophobicContact CD1-CB 3.76Å; Y137-A177 HydrophobicContact CE1-CB 4.49Å; Y137-A177 HydrophobicContact CG-CB 4.29Å | ||
| 138 | N | 93.7 | Very high | 95 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.353 | 30% | 0.299 | S | S | . | . | trans | -116.3 | 118.1 | 167.1 | -177.5 | -1 | 0 | 0 | 0 | 111 | D136 E140 V141 H142 | D136-N138 PolarHBondContact O-N 2.71Å; D136-N138 VanDerWaalsContact O-N 3.15Å; N138-E140 PolarHBondContact O-N 2.97Å; N138-E140 VanDerWaalsContact O-N 3.14Å; N138-E140 WeakPolarHBondContact OD1-CB 3.46Å; N138-E140 PolarHBondContact OD1-N 2.81Å; N138-V141 HydrophobicContact CB-CG2 4.44Å; N138-V141 PolarHBondContact O-N 3.41Å; N138-H142 PolarHBondContact N-ND1 2.95Å; N138-H142 WeakPolarHBondContact O-CB 3.48Å; N138-H142 PolarHBondContact O-N 2.78Å | ||
| 139 | K | 93.4 | Very high | 94.6 | Very high | 160 Ų | 160 | 60.7 Ų | 60.7 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.8 | 176.1 | -173.4 | 178.4 | 179.4 | -179.1 | 0 | 114.1 | Y137 K143 | Y137-K139 HydrophobicContact CE1-CB 4.38Å; K139-K143 PolarHBondContact O-NZ 3.36Å |
| 140 | E | 93.1 | Very high | 94.4 | Very high | 149 Ų | 149 | 62 Ų | 62 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -34.2 | 175.8 | -64.6 | 177.4 | 160.2 | 0 | 0 | 112.3 | N138 K143 | N138-E140 PolarHBondContact O-N 2.97Å; N138-E140 VanDerWaalsContact O-N 3.14Å; N138-E140 WeakPolarHBondContact OD1-CB 3.46Å; N138-E140 PolarHBondContact OD1-N 2.81Å; E140-K143 WeakPolarHBondContact O-CE 3.47Å; E140-K143 PolarHBondContact O-NZ 2.91Å |
| 141 | V | 93.1 | Very high | 94.1 | Very high | 102 Ų | 102 | 68.7 Ų | 68.7 | 62% | 0.618 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -49.5 | -177.2 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | N138 K143 | N138-V141 HydrophobicContact CB-CG2 4.44Å; N138-V141 PolarHBondContact O-N 3.41Å; V141-K143 PolarHBondContact O-N 2.84Å |
| 142 | H | 95.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 11% | 0.106 | 37% | 0.365 | C | S | . | . | trans | -84.3 | 92.1 | -179.2 | -56.1 | 145.8 | 0 | 0 | 0 | 109.9 | Y137 N138 Y146 | Y137-H142 HydrophobicContact CD2-CB 3.84Å; Y137-H142 AromaticContact CD2-ND1 3.53Å; Y137-H142 HydrophobicContact CE2-CB 3.57Å; N138-H142 PolarHBondContact N-ND1 2.95Å; N138-H142 WeakPolarHBondContact O-CB 3.48Å; N138-H142 PolarHBondContact O-N 2.78Å; H142-Y146 HydrophobicContact CB-CD1 4.09Å; H142-Y146 HydrophobicContact CB-CD2 3.81Å; H142-Y146 HydrophobicContact CB-CE1 4.18Å; H142-Y146 HydrophobicContact CB-CE2 3.89Å; H142-Y146 HydrophobicContact CB-CG 3.91Å; H142-Y146 AromaticContact CD2-CD2 3.72Å; H142-Y146 AromaticContact CG-CD2 3.77Å; H142-Y146 AromaticContact CG-CE2 3.75Å | ||
| 143 | K | 92.5 | Very high | 93.7 | Very high | 125 Ų | 125 | 69.7 Ų | 69.7 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | trans | -83 | 164.9 | 170.7 | -54.4 | -53.2 | 179 | -166.2 | 0 | 110.8 | K139 E140 V141 G145 Y146 | K139-K143 PolarHBondContact O-NZ 3.36Å; E140-K143 WeakPolarHBondContact O-CE 3.47Å; E140-K143 PolarHBondContact O-NZ 2.91Å; V141-K143 PolarHBondContact O-N 2.84Å; K143-G145 PolarHBondContact O-N 3.34Å; K143-Y146 WeakPolarHBondContact O-CB 3.43Å; K143-Y146 WeakPolarHBondContact O-CD1 3.45Å; K143-Y146 PolarHBondContact O-N 2.76Å; K143-Y146 VanDerWaalsContact O-N 3.13Å | ||
| 144 | S | 90.7 | Very high | 93.7 | Very high | 116 Ų | 116 | 64.6 Ų | 64.6 | 81% | 0.811 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 139 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 145 | G | 90.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 66.2 Ų | 66.2 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -0.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K143 L147 S148 | K143-G145 PolarHBondContact O-N 3.34Å; G145-L147 PolarHBondContact O-N 3.47Å; G145-L147 VanDerWaalsContact O-N 3.07Å; G145-S148 WeakPolarHBondContact CA-OG 3.07Å; G145-S148 WeakPolarHBondContact O-CB 3.22Å; G145-S148 PolarHBondContact O-N 2.83Å; G145-S148 PolarHBondContact O-OG 2.86Å |
| 146 | Y | 94.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 15% | 0.153 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.7 | 176.6 | 82.8 | -67.8 | 0 | 0 | 0 | 114.6 | V130 Y137 H142 K143 Q173 H176 | V130-Y146 HydrophobicContact CG1-CE2 4.3Å; Y137-Y146 HydrophobicContact CE2-CE1 4.49Å; H142-Y146 HydrophobicContact CB-CD1 4.09Å; H142-Y146 HydrophobicContact CB-CD2 3.81Å; H142-Y146 HydrophobicContact CB-CE1 4.18Å; H142-Y146 HydrophobicContact CB-CE2 3.89Å; H142-Y146 HydrophobicContact CB-CG 3.91Å; H142-Y146 AromaticContact CD2-CD2 3.72Å; H142-Y146 AromaticContact CG-CD2 3.77Å; H142-Y146 AromaticContact CG-CE2 3.75Å; K143-Y146 WeakPolarHBondContact O-CB 3.43Å; K143-Y146 WeakPolarHBondContact O-CD1 3.45Å; K143-Y146 PolarHBondContact O-N 2.76Å; K143-Y146 VanDerWaalsContact O-N 3.13Å; Y146-Q173 HydrophobicContact CE1-CB 4.23Å; Y146-Q173 HydrophobicContact CE1-CG 3.91Å; Y146-H176 AromaticContact CZ-ND1 3.9Å; Y146-H176 PolarHBondContact OH-ND1 3.15Å |
| 147 | L | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 2 | 175.7 | -59.5 | 178.5 | 0 | 0 | 0 | 112.8 | V130 F134 G145 S149 E150 L152 E169 I172 | V130-L147 HydrophobicContact CG1-CD2 3.82Å; V130-L147 HydrophobicContact CG2-CD1 4.22Å; V130-L147 HydrophobicContact CG2-CD2 3.79Å; F134-L147 HydrophobicContact CD2-CD2 4.47Å; F134-L147 HydrophobicContact CE2-CD2 3.83Å; F134-L147 HydrophobicContact CZ-CD2 4.33Å; G145-L147 PolarHBondContact O-N 3.47Å; G145-L147 VanDerWaalsContact O-N 3.07Å; L147-S149 PolarHBondContact O-N 2.9Å; L147-S149 VanDerWaalsContact O-N 3.16Å; L147-E150 HydrophobicContact CD2-CG 4.35Å; L147-E150 WeakPolarHBondContact O-CB 3.36Å; L147-E150 PolarHBondContact O-N 2.86Å; L147-L152 HydrophobicContact CB-CD1 4.06Å; L147-L152 HydrophobicContact CD1-CD1 3.86Å; L147-L152 HydrophobicContact CD2-CD1 4.18Å; L147-L152 HydrophobicContact CG-CD1 4.24Å; L147-E169 VanDerWaalsContact C-CD 3.49Å; L147-E169 VanDerWaalsContact C-OE2 3.27Å; L147-E169 WeakPolarHBondContact CA-OE2 3.5Å; L147-E169 HydrophobicContact CB-CB 4.29Å; L147-E169 HydrophobicContact CB-CG 3.79Å; L147-E169 WeakPolarHBondContact CB-OE2 3.48Å; L147-E169 HydrophobicContact CD1-CB 4.46Å; L147-E169 PolarHBondContact N-OE2 3.16Å; L147-I172 HydrophobicContact CD1-CB 4.47Å; L147-I172 HydrophobicContact CD1-CG2 4.25Å |
| 148 | S | 91.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.1 | -175.3 | -56.6 | 0 | 0 | 0 | 0 | 115.1 | G145 R165 E169 | G145-S148 WeakPolarHBondContact CA-OG 3.07Å; G145-S148 WeakPolarHBondContact O-CB 3.22Å; G145-S148 PolarHBondContact O-N 2.83Å; G145-S148 PolarHBondContact O-OG 2.86Å; S148-R165 VanDerWaalsContact C-NH2 3.26Å; S148-R165 PolarHBondContact O-NH1 3.02Å; S148-R165 VanDerWaalsContact O-NH1 3.13Å; S148-R165 PolarHBondContact O-NH2 3.09Å; S148-E169 WeakPolarHBondContact CA-OE1 3.37Å; S148-E169 WeakPolarHBondContact CB-OE1 3.35Å; S148-E169 PolarHBondContact N-OE1 3Å; S148-E169 PolarHBondContact N-OE2 2.84Å; S148-E169 VanDerWaalsContact N-OE2 3.11Å; S148-E169 VanDerWaalsContact OG-CD 3.31Å; S148-E169 PolarHBondContact OG-OE1 2.87Å; S148-E169 PolarHBondContact OG-OE2 2.69Å |
| 149 | S | 91.1 | Very high | 93.9 | Very high | 94 Ų | 94 | 65 Ų | 65 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -17.2 | 164.1 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | L147 | L147-S149 PolarHBondContact O-N 2.9Å; L147-S149 VanDerWaalsContact O-N 3.16Å |
| 150 | E | 92.8 | Very high | 94 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | trans | -95.5 | 145.6 | -164.5 | -54.3 | -54.4 | 120.8 | 0 | 0 | 113.7 | K133 F134 L147 L152 R165 | K133-E150 WeakPolarHBondContact CD-OE2 3.16Å; K133-E150 IonicContact NZ-OE1 2.75Å; K133-E150 PolarHBondContact NZ-OE1 3.31Å; K133-E150 IonicContact NZ-OE2 2.76Å; K133-E150 PolarHBondContact NZ-OE2 3.13Å; F134-E150 HydrophobicContact CE2-CG 4.39Å; F134-E150 HydrophobicContact CZ-CG 4.43Å; L147-E150 HydrophobicContact CD2-CG 4.35Å; L147-E150 WeakPolarHBondContact O-CB 3.36Å; L147-E150 PolarHBondContact O-N 2.86Å; E150-L152 HydrophobicContact CB-CD1 4.04Å; E150-L152 HydrophobicContact CB-CD2 3.7Å; E150-L152 HydrophobicContact CB-CG 3.63Å; E150-L152 HydrophobicContact CG-CD2 4.36Å; E150-R165 PolarHBondContact O-NH2 3.31Å | ||
| 151 | R | 93.2 | Very high | 94.2 | Very high | 142 Ų | 142 | 50.8 Ų | 50.8 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | trans | -102.9 | 105.2 | 163.2 | -176.3 | 179.8 | 177.7 | 164.5 | 0.9 | 107.7 | L111 | L111-R151 HydrophobicContact CD1-CG 4.34Å; L111-R151 WeakPolarHBondContact CD1-O 3.15Å; L111-R151 HydrophobicContact CD2-CG 4.33Å; L111-R151 PolarHBondContact O-NE 3.5Å; L111-R151 PolarHBondContact O-NH2 3.47Å | ||
| 152 | L | 90.1 | Very high | 94.3 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | trans | -110.4 | -22.7 | -169.6 | -61.3 | 175 | 0 | 0 | 0 | 114.1 | L111 V130 L147 E150 I172 | L111-L152 VanDerWaalsContact CD2-C 3.43Å; V130-L152 HydrophobicContact CG2-CD1 3.72Å; V130-L152 HydrophobicContact CG2-CD2 3.72Å; V130-L152 HydrophobicContact CG2-CG 4.37Å; L147-L152 HydrophobicContact CB-CD1 4.06Å; L147-L152 HydrophobicContact CD1-CD1 3.86Å; L147-L152 HydrophobicContact CD2-CD1 4.18Å; L147-L152 HydrophobicContact CG-CD1 4.24Å; E150-L152 HydrophobicContact CB-CD1 4.04Å; E150-L152 HydrophobicContact CB-CD2 3.7Å; E150-L152 HydrophobicContact CB-CG 3.63Å; E150-L152 HydrophobicContact CG-CD2 4.36Å; L152-I172 HydrophobicContact CB-CD1 3.83Å; L152-I172 HydrophobicContact CD1-CD1 3.99Å; L152-I172 HydrophobicContact CD1-CG2 4.13Å | ||
| 153 | I | 96.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -133.8 | 159.3 | 177.2 | 52 | 175 | 0 | 0 | 0 | 110.9 | A122 V123 V157 M158 W168 I172 | A122-I153 HydrophobicContact CB-CG2 4.2Å; A122-I153 WeakPolarHBondContact O-CG2 3.45Å; V123-I153 HydrophobicContact CG2-CG2 4.41Å; I153-V157 HydrophobicContact CD1-CG1 4.29Å; I153-M158 HydrophobicContact CD1-CG 3.53Å; I153-M158 HydrophobicContact CD1-SD 4.42Å; I153-M158 HydrophobicContact CG1-CG 3.73Å; I153-M158 HydrophobicContact CG1-SD 4.2Å; I153-W168 HydrophobicContact CD1-CB 4.45Å; I153-W168 HydrophobicContact CD1-CD2 3.46Å; I153-W168 VanDerWaalsContact CD1-CD2 3.46Å; I153-W168 HydrophobicContact CD1-CE3 3.56Å; I153-W168 HydrophobicContact CD1-CG 3.91Å; I153-W168 HydrophobicContact CD1-CH2 4.14Å; I153-W168 HydrophobicContact CD1-CZ2 4.04Å; I153-W168 HydrophobicContact CD1-CZ3 3.92Å; I153-I172 HydrophobicContact CG2-CD1 4.33Å |
| 154 | P | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | trans | -68.4 | 151.8 | 177.1 | -12.6 | 26.8 | 0 | 0 | 0 | 111.8 | I110 D113 A122 R156 V157 M158 | I110-P154 HydrophobicContact CG2-CG 4.21Å; I110-P154 WeakPolarHBondContact O-CG 3.46Å; D113-P154 VanDerWaalsContact OD2-CB 3.22Å; D113-P154 WeakPolarHBondContact OD2-CB 3.3Å; A122-P154 HydrophobicContact CB-CG 4.44Å; P154-R156 VanDerWaalsContact C-N 3.31Å; P154-R156 PolarHBondContact O-N 2.88Å; P154-V157 HydrophobicContact CB-CG2 4.31Å; P154-V157 HydrophobicContact CG-CG2 4.05Å; P154-V157 WeakPolarHBondContact O-CB 3.47Å; P154-V157 PolarHBondContact O-N 3.36Å; P154-M158 PolarHBondContact O-N 3.37Å | ||
| 155 | Q | 96.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | -176.7 | -173.1 | 62.9 | 46.6 | 0 | 0 | 111.4 | V157 M158 D159 | Q155-V157 PolarHBondContact O-N 3.03Å; Q155-V157 VanDerWaalsContact O-N 3.16Å; Q155-M158 WeakPolarHBondContact O-CB 3.24Å; Q155-M158 PolarHBondContact O-N 3.06Å; Q155-D159 PolarHBondContact NE2-OD1 3.16Å; Q155-D159 VanDerWaalsContact O-CG 3.27Å; Q155-D159 PolarHBondContact O-N 3.36Å |
| 156 | R | 97.2 | Very high | 94.6 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.5 | -34.7 | 172.6 | 171.4 | -176.3 | 53.5 | 78.8 | 12.9 | 113.4 | D113 Y116 C117 P154 Q160 T548 D551 | D113-R156 IonicContact OD1-CZ 3.81Å; D113-R156 VanDerWaalsContact OD1-CZ 3.22Å; D113-R156 IonicContact OD1-NE 3.81Å; D113-R156 PolarHBondContact OD1-NE 2.71Å; D113-R156 IonicContact OD1-NH2 2.74Å; D113-R156 PolarHBondContact OD1-NH2 2.71Å; Y116-R156 VanDerWaalsContact CE2-NH1 3.27Å; C117-R156 PolarHBondContact O-NH1 2.95Å; C117-R156 VanDerWaalsContact O-NH1 3.07Å; C117-R156 PolarHBondContact O-NH2 2.91Å; P154-R156 VanDerWaalsContact C-N 3.31Å; P154-R156 PolarHBondContact O-N 2.88Å; R156-Q160 WeakPolarHBondContact O-CB 3.48Å; R156-Q160 WeakPolarHBondContact O-CG 3.41Å; R156-Q160 PolarHBondContact O-N 3.44Å; R156-Q160 PolarHBondContact O-NE2 2.62Å; R156-T548 WeakPolarHBondContact CD-OG1 3.36Å; R156-T548 HydrophobicContact CG-CG2 3.78Å; R156-D551 IonicContact CZ-OD1 3.39Å; R156-D551 IonicContact NH1-OD1 3.51Å; R156-D551 PolarHBondContact NH1-OD1 2.66Å |
| 157 | V | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.8 | -38.8 | 180 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | P119 A122 I153 P154 Q155 H161 W168 | P119-V157 HydrophobicContact CB-CG1 3.92Å; P119-V157 HydrophobicContact CG-CG1 4.46Å; A122-V157 HydrophobicContact CB-CG1 4.49Å; A122-V157 HydrophobicContact CB-CG2 4.08Å; I153-V157 HydrophobicContact CD1-CG1 4.29Å; P154-V157 HydrophobicContact CB-CG2 4.31Å; P154-V157 HydrophobicContact CG-CG2 4.05Å; P154-V157 WeakPolarHBondContact O-CB 3.47Å; P154-V157 PolarHBondContact O-N 3.36Å; Q155-V157 PolarHBondContact O-N 3.03Å; Q155-V157 VanDerWaalsContact O-N 3.16Å; V157-H161 PolarHBondContact O-ND1 2.94Å; V157-W168 HydrophobicContact CG1-CH2 3.84Å; V157-W168 HydrophobicContact CG1-CZ2 4.31Å; V157-W168 WeakPolarHBondContact O-CZ2 3.46Å |
| 158 | M | 95.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 26% | 0.261 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 173.4 | -60.7 | -172.1 | 77.3 | 0 | 0 | 111.3 | I153 P154 Q155 Q160 H161 | I153-M158 HydrophobicContact CD1-CG 3.53Å; I153-M158 HydrophobicContact CD1-SD 4.42Å; I153-M158 HydrophobicContact CG1-CG 3.73Å; I153-M158 HydrophobicContact CG1-SD 4.2Å; P154-M158 PolarHBondContact O-N 3.37Å; Q155-M158 WeakPolarHBondContact O-CB 3.24Å; Q155-M158 PolarHBondContact O-N 3.06Å; M158-Q160 VanDerWaalsContact C-N 3.3Å; M158-Q160 PolarHBondContact O-N 3.21Å; M158-H161 PolarHBondContact O-N 3.08Å |
| 159 | D | 95.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | -175.2 | -66.9 | -19.4 | 0 | 0 | 0 | 112.2 | Q155 H161 K546 | Q155-D159 PolarHBondContact NE2-OD1 3.16Å; Q155-D159 VanDerWaalsContact O-CG 3.27Å; Q155-D159 PolarHBondContact O-N 3.36Å; D159-H161 VanDerWaalsContact C-N 3.32Å; D159-H161 PolarHBondContact O-N 3Å; D159-K546 WeakPolarHBondContact O-CD 3.41Å; D159-K546 WeakPolarHBondContact O-CE 3.3Å; D159-K546 PolarHBondContact O-NZ 3.09Å |
| 160 | Q | 95.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.2 | -176.1 | 83 | 179.7 | -89.7 | 0 | 0 | 115.3 | R156 M158 D543 K546 D551 | R156-Q160 WeakPolarHBondContact O-CB 3.48Å; R156-Q160 WeakPolarHBondContact O-CG 3.41Å; R156-Q160 PolarHBondContact O-N 3.44Å; R156-Q160 PolarHBondContact O-NE2 2.62Å; M158-Q160 VanDerWaalsContact C-N 3.3Å; M158-Q160 PolarHBondContact O-N 3.21Å; Q160-D543 PolarHBondContact O-N 3.45Å; Q160-K546 HydrophobicContact CB-CB 3.95Å; Q160-D551 PolarHBondContact NE2-OD1 3.2Å; Q160-D551 VanDerWaalsContact NE2-OD1 3.14Å |
| 161 | H | 96.8 | Very high | 95 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -126.4 | 147.7 | 172.3 | -56.9 | 80.4 | 0 | 0 | 0 | 111.8 | V157 M158 D159 L163 W168 L538 A541 R542 | V157-H161 PolarHBondContact O-ND1 2.94Å; M158-H161 PolarHBondContact O-N 3.08Å; D159-H161 VanDerWaalsContact C-N 3.32Å; D159-H161 PolarHBondContact O-N 3Å; H161-L163 HydrophobicContact CB-CD1 4.24Å; H161-L163 HydrophobicContact CB-CG 4.21Å; H161-L163 PolarHBondContact O-N 3.2Å; H161-W168 HydrophobicContact CB-CH2 4.23Å; H161-W168 HydrophobicContact CB-CZ2 3.76Å; H161-W168 AromaticContact CG-CH2 3.95Å; H161-W168 AromaticContact CG-CZ2 3.93Å; H161-W168 AromaticContact ND1-CH2 3.71Å; H161-W168 AromaticContact ND1-CZ2 3.78Å; H161-L538 PolarHBondContact CD2-O 3.33Å; H161-A541 CarbonylContact C-O 3.59Å; H161-A541 VanDerWaalsContact CA-O 3.3Å; H161-A541 WeakPolarHBondContact CA-O 3.3Å; H161-A541 HydrophobicContact CB-CB 4.45Å; H161-R542 PolarHBondContact NE2-NE 3.16Å |
| 162 | K | 94.7 | Very high | 95.2 | Very high | 137 Ų | 137 | 47.1 Ų | 47.1 | 60% | 0.596 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -84.6 | 54.2 | 179.5 | -67.7 | 161.9 | -178.9 | 149.2 | 0 | 110.5 | A541 D543 | K162-A541 PolarHBondContact N-O 3.24Å; K162-D543 VanDerWaalsContact CE-OD2 3.27Å; K162-D543 WeakPolarHBondContact CE-OD2 3.47Å; K162-D543 VanDerWaalsContact NZ-CG 3.29Å; K162-D543 IonicContact NZ-OD1 3.1Å; K162-D543 PolarHBondContact NZ-OD1 2.87Å; K162-D543 IonicContact NZ-OD2 2.75Å |
| 163 | L | 95.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | trans | -121.5 | 138.6 | -177.9 | -63.6 | 176.6 | 0 | 0 | 0 | 110.9 | H161 Q167 W168 L538 A541 | H161-L163 HydrophobicContact CB-CD1 4.24Å; H161-L163 HydrophobicContact CB-CG 4.21Å; H161-L163 PolarHBondContact O-N 3.2Å; L163-Q167 HydrophobicContact CB-CB 4.29Å; L163-Q167 HydrophobicContact CD2-CB 4.27Å; L163-W168 HydrophobicContact CB-CD2 4.42Å; L163-W168 HydrophobicContact CD1-CD2 4.04Å; L163-W168 HydrophobicContact CD1-CE3 4.1Å; L163-W168 HydrophobicContact CD1-CH2 4Å; L163-W168 HydrophobicContact CD1-CZ2 3.92Å; L163-W168 HydrophobicContact CD1-CZ3 4.07Å; L163-L538 HydrophobicContact CD1-CD2 4.29Å; L163-A541 HydrophobicContact CD1-CB 4.23Å; L163-A541 HydrophobicContact CD2-CB 3.77Å; L163-A541 HydrophobicContact CG-CB 3.82Å | ||
| 164 | T | 94.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | trans | -72.4 | 167.7 | 170.4 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | D166 Q167 W168 | T164-D166 VanDerWaalsContact C-N 3.3Å; T164-D166 PolarHBondContact O-N 2.82Å; T164-D166 PolarHBondContact OG1-N 2.84Å; T164-Q167 PolarHBondContact O-N 2.8Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.49Å; T164-Q167 PolarHBondContact OG1-N 2.9Å; T164-W168 PolarHBondContact O-N 2.99Å; T164-W168 VanDerWaalsContact O-N 3.15Å | ||
| 165 | R | 92.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 52.7 Ų | 52.7 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 172.2 | -175 | -178.8 | -176.6 | 146 | 17.3 | 111.1 | S148 E150 Q167 W168 E169 | S148-R165 VanDerWaalsContact C-NH2 3.26Å; S148-R165 PolarHBondContact O-NH1 3.02Å; S148-R165 VanDerWaalsContact O-NH1 3.13Å; S148-R165 PolarHBondContact O-NH2 3.09Å; E150-R165 PolarHBondContact O-NH2 3.31Å; R165-Q167 VanDerWaalsContact C-N 3.29Å; R165-Q167 PolarHBondContact O-N 3.36Å; R165-W168 WeakPolarHBondContact O-CA 3.27Å; R165-W168 WeakPolarHBondContact O-CB 3.47Å; R165-W168 PolarHBondContact O-N 3.4Å; R165-E169 WeakPolarHBondContact CD-OE1 3.24Å; R165-E169 HydrophobicContact CG-CG 4.48Å; R165-E169 WeakPolarHBondContact CG-OE1 3.26Å; R165-E169 IonicContact CZ-OE1 2.77Å; R165-E169 IonicContact NE-OE1 2.59Å; R165-E169 PolarHBondContact NE-OE1 2.91Å; R165-E169 PolarHBondContact O-N 3.22Å |
| 166 | D | 93.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 48 Ų | 48 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -40.8 | -177.4 | -34.8 | -32.9 | 0 | 0 | 0 | 110.9 | T164 W168 E169 D170 | T164-D166 VanDerWaalsContact C-N 3.3Å; T164-D166 PolarHBondContact O-N 2.82Å; T164-D166 PolarHBondContact OG1-N 2.84Å; D166-W168 VanDerWaalsContact C-N 3.31Å; D166-W168 PolarHBondContact O-N 2.9Å; D166-E169 PolarHBondContact O-N 2.89Å; D166-E169 VanDerWaalsContact O-N 3.12Å; D166-D170 PolarHBondContact O-N 3.05Å |
| 167 | Q | 94.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -28.4 | 174.6 | -71.3 | 174.2 | -32.3 | 0 | 0 | 113.6 | L163 T164 R165 R171 | L163-Q167 HydrophobicContact CB-CB 4.29Å; L163-Q167 HydrophobicContact CD2-CB 4.27Å; T164-Q167 PolarHBondContact O-N 2.8Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.49Å; T164-Q167 PolarHBondContact OG1-N 2.9Å; R165-Q167 VanDerWaalsContact C-N 3.29Å; R165-Q167 PolarHBondContact O-N 3.36Å; Q167-R171 VanDerWaalsContact O-CG 3.29Å; Q167-R171 WeakPolarHBondContact O-CG 3.42Å; Q167-R171 PolarHBondContact O-N 3.28Å |
| 168 | W | 95.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.2 | -40.1 | 169.1 | -74.7 | 115.7 | 0 | 0 | 0 | 111.7 | V123 I153 V157 H161 L163 T164 R165 D166 R171 I172 L538 | V123-W168 HydrophobicContact CG2-CE3 4.15Å; V123-W168 HydrophobicContact CG2-CZ3 3.55Å; I153-W168 HydrophobicContact CD1-CB 4.45Å; I153-W168 HydrophobicContact CD1-CD2 3.46Å; I153-W168 VanDerWaalsContact CD1-CD2 3.46Å; I153-W168 HydrophobicContact CD1-CE3 3.56Å; I153-W168 HydrophobicContact CD1-CG 3.91Å; I153-W168 HydrophobicContact CD1-CH2 4.14Å; I153-W168 HydrophobicContact CD1-CZ2 4.04Å; I153-W168 HydrophobicContact CD1-CZ3 3.92Å; V157-W168 HydrophobicContact CG1-CH2 3.84Å; V157-W168 HydrophobicContact CG1-CZ2 4.31Å; V157-W168 WeakPolarHBondContact O-CZ2 3.46Å; H161-W168 HydrophobicContact CB-CH2 4.23Å; H161-W168 HydrophobicContact CB-CZ2 3.76Å; H161-W168 AromaticContact CG-CH2 3.95Å; H161-W168 AromaticContact CG-CZ2 3.93Å; H161-W168 AromaticContact ND1-CH2 3.71Å; H161-W168 AromaticContact ND1-CZ2 3.78Å; L163-W168 HydrophobicContact CB-CD2 4.42Å; L163-W168 HydrophobicContact CD1-CD2 4.04Å; L163-W168 HydrophobicContact CD1-CE3 4.1Å; L163-W168 HydrophobicContact CD1-CH2 4Å; L163-W168 HydrophobicContact CD1-CZ2 3.92Å; L163-W168 HydrophobicContact CD1-CZ3 4.07Å; T164-W168 PolarHBondContact O-N 2.99Å; T164-W168 VanDerWaalsContact O-N 3.15Å; R165-W168 WeakPolarHBondContact O-CA 3.27Å; R165-W168 WeakPolarHBondContact O-CB 3.47Å; R165-W168 PolarHBondContact O-N 3.4Å; D166-W168 VanDerWaalsContact C-N 3.31Å; D166-W168 PolarHBondContact O-N 2.9Å; W168-R171 PolarHBondContact O-N 3.32Å; W168-I172 WeakPolarHBondContact O-CB 3.23Å; W168-I172 VanDerWaalsContact O-CG1 3.28Å; W168-I172 WeakPolarHBondContact O-CG1 3.41Å; W168-I172 PolarHBondContact O-N 3.34Å; W168-L538 HydrophobicContact CH2-CD2 3.85Å; W168-L538 HydrophobicContact CZ3-CD2 3.6Å |
| 169 | E | 94.8 | Very high | 95.5 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.5 | -67.7 | -173.6 | -151.4 | 0 | 0 | 111.6 | L147 S148 R165 D166 I172 Q173 | L147-E169 VanDerWaalsContact C-CD 3.49Å; L147-E169 VanDerWaalsContact C-OE2 3.27Å; L147-E169 WeakPolarHBondContact CA-OE2 3.5Å; L147-E169 HydrophobicContact CB-CB 4.29Å; L147-E169 HydrophobicContact CB-CG 3.79Å; L147-E169 WeakPolarHBondContact CB-OE2 3.48Å; L147-E169 HydrophobicContact CD1-CB 4.46Å; L147-E169 PolarHBondContact N-OE2 3.16Å; S148-E169 WeakPolarHBondContact CA-OE1 3.37Å; S148-E169 WeakPolarHBondContact CB-OE1 3.35Å; S148-E169 PolarHBondContact N-OE1 3Å; S148-E169 PolarHBondContact N-OE2 2.84Å; S148-E169 VanDerWaalsContact N-OE2 3.11Å; S148-E169 VanDerWaalsContact OG-CD 3.31Å; S148-E169 PolarHBondContact OG-OE1 2.87Å; S148-E169 PolarHBondContact OG-OE2 2.69Å; R165-E169 WeakPolarHBondContact CD-OE1 3.24Å; R165-E169 HydrophobicContact CG-CG 4.48Å; R165-E169 WeakPolarHBondContact CG-OE1 3.26Å; R165-E169 IonicContact CZ-OE1 2.77Å; R165-E169 IonicContact NE-OE1 2.59Å; R165-E169 PolarHBondContact NE-OE1 2.91Å; R165-E169 PolarHBondContact O-N 3.22Å; D166-E169 PolarHBondContact O-N 2.89Å; D166-E169 VanDerWaalsContact O-N 3.12Å; E169-I172 PolarHBondContact O-N 2.96Å; E169-Q173 WeakPolarHBondContact O-CB 3.46Å; E169-Q173 PolarHBondContact O-N 2.85Å |
| 170 | D | 93.6 | Very high | 95.4 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 174.8 | -75.2 | -23.4 | 0 | 0 | 0 | 111.6 | D166 I172 Q173 V174 | D166-D170 PolarHBondContact O-N 3.05Å; D170-I172 PolarHBondContact O-N 3.03Å; D170-Q173 WeakPolarHBondContact O-CB 3.24Å; D170-Q173 PolarHBondContact O-N 2.84Å; D170-V174 PolarHBondContact O-N 3.11Å |
| 171 | R | 95.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.7 | -75.4 | 177.5 | -177.1 | -86.2 | 13.3 | 111.8 | Q167 W168 Q173 V174 W175 E537 | Q167-R171 VanDerWaalsContact O-CG 3.29Å; Q167-R171 WeakPolarHBondContact O-CG 3.42Å; Q167-R171 PolarHBondContact O-N 3.28Å; W168-R171 PolarHBondContact O-N 3.32Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 3.31Å; R171-V174 PolarHBondContact O-N 3.48Å; R171-W175 VanDerWaalsContact O-CD1 3.24Å; R171-W175 PolarHBondContact O-N 2.96Å; R171-E537 IonicContact NH1-OE2 3.62Å; R171-E537 PolarHBondContact NH1-OE2 3.44Å; R171-E537 PolarHBondContact NH2-O 3.41Å |
| 172 | I | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -32.9 | 177.6 | -64.2 | 165.4 | 0 | 0 | 0 | 110.7 | V123 V130 L147 L152 I153 W168 E169 D170 W175 H176 | V123-I172 HydrophobicContact CG1-CG1 4.04Å; V130-I172 HydrophobicContact CG2-CG2 3.87Å; L147-I172 HydrophobicContact CD1-CB 4.47Å; L147-I172 HydrophobicContact CD1-CG2 4.25Å; L152-I172 HydrophobicContact CB-CD1 3.83Å; L152-I172 HydrophobicContact CD1-CD1 3.99Å; L152-I172 HydrophobicContact CD1-CG2 4.13Å; I153-I172 HydrophobicContact CG2-CD1 4.33Å; W168-I172 WeakPolarHBondContact O-CB 3.23Å; W168-I172 VanDerWaalsContact O-CG1 3.28Å; W168-I172 WeakPolarHBondContact O-CG1 3.41Å; W168-I172 PolarHBondContact O-N 3.34Å; E169-I172 PolarHBondContact O-N 2.96Å; D170-I172 PolarHBondContact O-N 3.03Å; I172-W175 PolarHBondContact O-N 3.29Å; I172-H176 VanDerWaalsContact O-CB 3.26Å; I172-H176 WeakPolarHBondContact O-CB 3.4Å; I172-H176 PolarHBondContact O-N 3.41Å |
| 173 | Q | 96.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 174.6 | -177.8 | -99.4 | -103.1 | 0 | 0 | 112.7 | Y137 Y146 E169 D170 R171 A177 | Y137-Q173 HydrophobicContact CD2-CG 4.1Å; Y137-Q173 HydrophobicContact CE2-CG 3.52Å; Y137-Q173 PolarHBondContact OH-OE1 3.45Å; Y137-Q173 VanDerWaalsContact OH-OE1 3.09Å; Y146-Q173 HydrophobicContact CE1-CB 4.23Å; Y146-Q173 HydrophobicContact CE1-CG 3.91Å; E169-Q173 WeakPolarHBondContact O-CB 3.46Å; E169-Q173 PolarHBondContact O-N 2.85Å; D170-Q173 WeakPolarHBondContact O-CB 3.24Å; D170-Q173 PolarHBondContact O-N 2.84Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 3.31Å; Q173-A177 PolarHBondContact O-N 3.06Å |
| 174 | V | 96.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -51.3 | 171.7 | 170.6 | 0 | 0 | 0 | 0 | 110 | D170 R171 H176 A177 E178 | D170-V174 PolarHBondContact O-N 3.11Å; R171-V174 PolarHBondContact O-N 3.48Å; V174-H176 VanDerWaalsContact C-N 3.29Å; V174-H176 PolarHBondContact O-N 2.83Å; V174-A177 WeakPolarHBondContact O-CB 3.45Å; V174-A177 PolarHBondContact O-N 3.11Å; V174-A177 VanDerWaalsContact O-N 3.14Å; V174-E178 PolarHBondContact O-N 2.8Å |
| 175 | W | 96.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.7 | -25.1 | 179 | -69 | 107 | 0 | 0 | 0 | 113.8 | S127 R171 I172 E178 H179 Q530 T533 L534 | S127-W175 VanDerWaalsContact CB-CB 3.48Å; R171-W175 VanDerWaalsContact O-CD1 3.24Å; R171-W175 PolarHBondContact O-N 2.96Å; I172-W175 PolarHBondContact O-N 3.29Å; W175-E178 HydrophobicContact CE3-CB 4.41Å; W175-E178 HydrophobicContact CE3-CG 4.1Å; W175-E178 HydrophobicContact CZ3-CG 4.25Å; W175-E178 WeakPolarHBondContact O-CB 3.42Å; W175-E178 PolarHBondContact O-N 2.96Å; W175-H179 PolarHBondContact O-CD2 3.38Å; W175-H179 PolarHBondContact O-NE2 3.12Å; W175-Q530 HydrophobicContact CE3-CG 4.32Å; W175-Q530 HydrophobicContact CH2-CB 4.4Å; W175-Q530 HydrophobicContact CH2-CG 4.27Å; W175-Q530 HydrophobicContact CZ3-CB 4.15Å; W175-Q530 HydrophobicContact CZ3-CG 3.67Å; W175-T533 HydrophobicContact CH2-CG2 4.05Å; W175-T533 HydrophobicContact CZ2-CG2 3.83Å; W175-L534 HydrophobicContact CD2-CD1 4.42Å; W175-L534 HydrophobicContact CZ2-CD1 4.49Å; W175-L534 HydrophobicContact CZ2-CG 3.96Å; W175-L534 VanDerWaalsContact NE1-CD2 3.27Å |
| 176 | H | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 170.3 | 176.4 | -153.6 | 0 | 0 | 0 | 111.8 | V130 Q131 G135 Y137 Y146 I172 V174 E178 H179 | V130-H176 HydrophobicContact CG1-CB 4.22Å; V130-H176 VanDerWaalsContact CG1-CE1 3.46Å; V130-H176 WeakPolarHBondContact CG1-CE1 3.49Å; V130-H176 VanDerWaalsContact CG1-ND1 3.31Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.36Å; Q131-H176 PolarHBondContact OE1-CD2 2.99Å; Q131-H176 PolarHBondContact OE1-NE2 3.49Å; G135-H176 PolarHBondContact O-NE2 2.92Å; Y137-H176 AromaticContact CD2-ND1 3.8Å; Y146-H176 AromaticContact CZ-ND1 3.9Å; Y146-H176 PolarHBondContact OH-ND1 3.15Å; I172-H176 VanDerWaalsContact O-CB 3.26Å; I172-H176 WeakPolarHBondContact O-CB 3.4Å; I172-H176 PolarHBondContact O-N 3.41Å; V174-H176 VanDerWaalsContact C-N 3.29Å; V174-H176 PolarHBondContact O-N 2.83Å; H176-E178 VanDerWaalsContact C-N 3.26Å; H176-E178 PolarHBondContact O-N 3.36Å; H176-H179 PolarHBondContact O-N 3.2Å; H176-H179 VanDerWaalsContact O-N 3.11Å |
| 177 | A | 96.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -30.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y137 Q173 V174 H179 R180 | Y137-A177 HydrophobicContact CD1-CB 3.76Å; Y137-A177 HydrophobicContact CE1-CB 4.49Å; Y137-A177 HydrophobicContact CG-CB 4.29Å; Q173-A177 PolarHBondContact O-N 3.06Å; V174-A177 WeakPolarHBondContact O-CB 3.45Å; V174-A177 PolarHBondContact O-N 3.11Å; V174-A177 VanDerWaalsContact O-N 3.14Å; A177-H179 PolarHBondContact O-N 2.9Å; A177-R180 WeakPolarHBondContact O-CB 3.27Å; A177-R180 PolarHBondContact O-N 3.36Å |
| 178 | E | 96 | Very high | 95.3 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.8 | 173.9 | -80.9 | -65.3 | 121.7 | 0 | 0 | 113.8 | V174 W175 H176 R180 R526 | V174-E178 PolarHBondContact O-N 2.8Å; W175-E178 HydrophobicContact CE3-CB 4.41Å; W175-E178 HydrophobicContact CE3-CG 4.1Å; W175-E178 HydrophobicContact CZ3-CG 4.25Å; W175-E178 WeakPolarHBondContact O-CB 3.42Å; W175-E178 PolarHBondContact O-N 2.96Å; H176-E178 VanDerWaalsContact C-N 3.26Å; H176-E178 PolarHBondContact O-N 3.36Å; E178-R180 VanDerWaalsContact C-N 3.29Å; E178-R180 PolarHBondContact O-N 2.85Å; E178-R526 PolarHBondContact O-NH2 2.8Å; E178-R526 IonicContact OE2-NH2 2.9Å; E178-R526 PolarHBondContact OE2-NH2 3.39Å; E178-R526 VanDerWaalsContact OE2-NH2 3.08Å |
| 179 | H | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6 | 179.8 | -57.6 | -43.9 | 0 | 0 | 0 | 113.7 | S127 Y128 Q131 W175 H176 A177 G181 M182 | S127-H179 PolarHBondContact OG-NE2 3.44Å; Y128-H179 AromaticContact CD1-CE1 3.77Å; Y128-H179 AromaticContact CD1-NE2 3.79Å; Y128-H179 AromaticContact CE1-CE1 3.27Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.47Å; Y128-H179 AromaticContact CE1-ND1 3.45Å; Y128-H179 WeakPolarHBondContact CE1-ND1 3.16Å; Y128-H179 AromaticContact CE1-NE2 3.78Å; Y128-H179 AromaticContact CE2-CE1 3.79Å; Y128-H179 AromaticContact CG-NE2 3.95Å; Y128-H179 AromaticContact CZ-CE1 3.28Å; Y128-H179 AromaticContact CZ-ND1 3.85Å; Y128-H179 AromaticContact CZ-NE2 3.94Å; Q131-H179 HydrophobicContact CB-CB 3.99Å; Q131-H179 HydrophobicContact CG-CB 3.76Å; Q131-H179 PolarHBondContact NE2-O 2.89Å; W175-H179 PolarHBondContact O-CD2 3.38Å; W175-H179 PolarHBondContact O-NE2 3.12Å; H176-H179 PolarHBondContact O-N 3.2Å; H176-H179 VanDerWaalsContact O-N 3.11Å; A177-H179 PolarHBondContact O-N 2.9Å; H179-G181 PolarHBondContact O-N 3.39Å; H179-M182 WeakPolarHBondContact O-CB 3.3Å; H179-M182 PolarHBondContact O-N 3.2Å |
| 180 | R | 94.4 | Very high | 95.6 | Very high | 193 Ų | 193 | 47.6 Ų | 47.6 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 131.3 | 179.9 | -171.3 | -178.3 | -178.6 | -174 | 1.1 | 112.1 | D136 A177 E178 | D136-R180 HydrophobicContact CB-CG 4.32Å; D136-R180 VanDerWaalsContact OD2-CG 3.26Å; D136-R180 WeakPolarHBondContact OD2-CG 3.23Å; A177-R180 WeakPolarHBondContact O-CB 3.27Å; A177-R180 PolarHBondContact O-N 3.36Å; E178-R180 VanDerWaalsContact C-N 3.29Å; E178-R180 PolarHBondContact O-N 2.85Å |
| 181 | G | 90.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -8.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | D136 H179 R320 | D136-G181 PolarHBondContact OD1-N 3.24Å; D136-G181 PolarHBondContact OD2-N 3.34Å; H179-G181 PolarHBondContact O-N 3.39Å; G181-R320 PolarHBondContact O-NH1 3.45Å; G181-R320 PolarHBondContact O-NH2 3.13Å; G181-R320 VanDerWaalsContact O-NH2 3.16Å |
| 182 | M | 93.8 | Very high | 96 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | trans | -79.9 | 125.1 | 179.5 | -169.8 | 173.4 | -64.7 | 0 | 0 | 111.7 | Y128 Q131 H179 N186 A187 E190 | Y128-M182 HydrophobicContact CD1-SD 4.08Å; Y128-M182 HydrophobicContact CE1-CE 3.95Å; Y128-M182 HydrophobicContact CE1-SD 3.83Å; Q131-M182 HydrophobicContact CG-CB 4.22Å; Q131-M182 PolarHBondContact NE2-O 3.49Å; H179-M182 WeakPolarHBondContact O-CB 3.3Å; H179-M182 PolarHBondContact O-N 3.2Å; M182-N186 HydrophobicContact CG-CB 3.94Å; M182-A187 HydrophobicContact CG-CB 4.15Å; M182-A187 VanDerWaalsContact SD-CA 3.59Å; M182-A187 HydrophobicContact SD-CB 3.83Å; M182-E190 HydrophobicContact CE-CG 4.45Å; M182-E190 HydrophobicContact SD-CG 4.34Å | ||
| 183 | L | 92.1 | Very high | 96.1 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | trans | -61 | 147.2 | 172.4 | -65.7 | 174.8 | 0 | 0 | 0 | 111 | D185 N186 A187 | L183-D185 PolarHBondContact O-N 3.48Å; L183-N186 HydrophobicContact CB-CB 4.33Å; L183-N186 PolarHBondContact O-N 3.33Å; L183-A187 PolarHBondContact O-N 3.34Å | ||
| 184 | K | 94.5 | Very high | 96.1 | Very high | 88 Ų | 88 | 40.4 Ų | 40.4 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.9 | -41.5 | 179.9 | -65.4 | -173.5 | 174.4 | -162.5 | 0 | 111.9 | A132 K133 F134 A187 M188 | A132-K184 WeakPolarHBondContact O-CD 3.32Å; A132-K184 WeakPolarHBondContact O-CG 3.26Å; K133-K184 PolarHBondContact O-NZ 3.46Å; F134-K184 PolarHBondContact O-NZ 3.22Å; K184-A187 PolarHBondContact O-N 3.41Å; K184-M188 WeakPolarHBondContact O-CG 3.4Å; K184-M188 PolarHBondContact O-N 2.9Å |
| 185 | D | 93.5 | Very high | 96.3 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | 178.9 | -44.8 | -53.4 | 0 | 0 | 0 | 111.6 | Q99 L183 A187 M188 L189 | Q99-D185 PolarHBondContact NE2-O 2.87Å; L183-D185 PolarHBondContact O-N 3.48Å; D185-A187 PolarHBondContact O-N 2.97Å; D185-M188 HydrophobicContact CB-CE 4.38Å; D185-M188 PolarHBondContact O-N 2.79Å; D185-M188 WeakPolarHBondContact OD1-CE 3.28Å; D185-L189 PolarHBondContact O-N 3.35Å |
| 186 | N | 94.6 | Very high | 96.3 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 172.4 | -71.5 | -10.5 | 0 | 0 | 0 | 111.8 | M182 L183 L189 E190 K313 | M182-N186 HydrophobicContact CG-CB 3.94Å; L183-N186 HydrophobicContact CB-CB 4.33Å; L183-N186 PolarHBondContact O-N 3.33Å; N186-L189 WeakPolarHBondContact O-CB 3.42Å; N186-L189 PolarHBondContact O-N 3.42Å; N186-L189 VanDerWaalsContact O-N 3.09Å; N186-E190 WeakPolarHBondContact O-CG 3.4Å; N186-E190 PolarHBondContact O-N 2.8Å; N186-K313 VanDerWaalsContact OD1-CE 3.31Å; N186-K313 WeakPolarHBondContact OD1-CE 3.49Å; N186-K313 PolarHBondContact OD1-NZ 3.07Å |
| 187 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q131 A132 M182 L183 K184 D185 L189 Y191 | Q131-A187 HydrophobicContact CB-CB 4.06Å; Q131-A187 HydrophobicContact CG-CB 3.81Å; A132-A187 HydrophobicContact CB-CB 4.12Å; M182-A187 HydrophobicContact CG-CB 4.15Å; M182-A187 VanDerWaalsContact SD-CA 3.59Å; M182-A187 HydrophobicContact SD-CB 3.83Å; L183-A187 PolarHBondContact O-N 3.34Å; K184-A187 PolarHBondContact O-N 3.41Å; D185-A187 PolarHBondContact O-N 2.97Å; A187-L189 VanDerWaalsContact C-N 3.28Å; A187-L189 PolarHBondContact O-N 3.21Å; A187-Y191 WeakPolarHBondContact O-CB 3.36Å; A187-Y191 PolarHBondContact O-N 2.84Å |
| 188 | M | 98.4 | Very high | 96.4 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 170 | -68.6 | -170.1 | -65.3 | 0 | 0 | 112.4 | Q99 K100 F103 A132 K184 D185 L192 | Q99-M188 VanDerWaalsContact NE2-CB 3.31Å; K100-M188 HydrophobicContact CB-CE 4.01Å; K100-M188 HydrophobicContact CB-SD 3.98Å; K100-M188 HydrophobicContact CG-CE 4.34Å; K100-M188 HydrophobicContact CG-SD 3.96Å; F103-M188 HydrophobicContact CB-CB 3.95Å; F103-M188 HydrophobicContact CB-CG 4.18Å; F103-M188 HydrophobicContact CB-SD 4.32Å; F103-M188 HydrophobicContact CD1-CB 4.21Å; F103-M188 HydrophobicContact CD1-CG 3.5Å; F103-M188 VanDerWaalsContact CD1-CG 3.5Å; F103-M188 HydrophobicContact CD1-SD 3.45Å; F103-M188 WeakPolarHBondContact CD1-SD 3.46Å; F103-M188 HydrophobicContact CD2-CB 4.08Å; F103-M188 HydrophobicContact CD2-CG 4.01Å; F103-M188 HydrophobicContact CE1-CG 3.79Å; F103-M188 HydrophobicContact CE1-SD 3.95Å; F103-M188 HydrophobicContact CE2-CG 4.25Å; F103-M188 HydrophobicContact CG-CB 3.82Å; F103-M188 HydrophobicContact CG-CG 3.62Å; F103-M188 HydrophobicContact CG-SD 4.01Å; F103-M188 HydrophobicContact CZ-CG 4.16Å; A132-M188 HydrophobicContact CB-CG 3.63Å; K184-M188 WeakPolarHBondContact O-CG 3.4Å; K184-M188 PolarHBondContact O-N 2.9Å; D185-M188 HydrophobicContact CB-CE 4.38Å; D185-M188 PolarHBondContact O-N 2.79Å; D185-M188 WeakPolarHBondContact OD1-CE 3.28Å; M188-L192 WeakPolarHBondContact O-CG 3.14Å; M188-L192 PolarHBondContact O-N 2.79Å |
| 189 | L | 97.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.2 | -45.3 | 178.7 | -170.8 | 61.3 | 0 | 0 | 0 | 111.6 | V89 Q99 D185 N186 A187 Y191 L192 K193 | V89-L189 HydrophobicContact CG2-CD1 4.46Å; Q99-L189 HydrophobicContact CG-CD1 4.17Å; Q99-L189 VanDerWaalsContact NE2-N 3.13Å; D185-L189 PolarHBondContact O-N 3.35Å; N186-L189 WeakPolarHBondContact O-CB 3.42Å; N186-L189 PolarHBondContact O-N 3.42Å; N186-L189 VanDerWaalsContact O-N 3.09Å; A187-L189 VanDerWaalsContact C-N 3.28Å; A187-L189 PolarHBondContact O-N 3.21Å; L189-Y191 VanDerWaalsContact C-N 3.32Å; L189-Y191 PolarHBondContact O-N 2.95Å; L189-L192 CarbonylContact O-C 3.47Å; L189-L192 PolarHBondContact O-N 3.4Å; L189-K193 HydrophobicContact CG-CD 4.09Å; L189-K193 HydrophobicContact CG-CG 4.42Å; L189-K193 WeakPolarHBondContact O-CG 3.4Å; L189-K193 PolarHBondContact O-N 2.95Å |
| 190 | E | 98 | Very high | 96.6 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -37.4 | 176.1 | -67 | -54.8 | 145.5 | 0 | 0 | 111.9 | Y128 M182 N186 L192 K193 I194 | Y128-E190 HydrophobicContact CD1-CB 4.01Å; Y128-E190 HydrophobicContact CE1-CB 3.67Å; Y128-E190 HydrophobicContact CE1-CG 4.36Å; M182-E190 HydrophobicContact CE-CG 4.45Å; M182-E190 HydrophobicContact SD-CG 4.34Å; N186-E190 WeakPolarHBondContact O-CG 3.4Å; N186-E190 PolarHBondContact O-N 2.8Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-L192 PolarHBondContact O-N 2.81Å; E190-K193 PolarHBondContact O-N 2.74Å; E190-K193 IonicContact OE1-NZ 3.29Å; E190-K193 PolarHBondContact OE1-NZ 3.31Å; E190-K193 IonicContact OE2-NZ 2.74Å; E190-K193 PolarHBondContact OE2-NZ 2.86Å; E190-I194 WeakPolarHBondContact O-CG1 3.48Å; E190-I194 PolarHBondContact O-N 2.88Å; E190-I194 VanDerWaalsContact O-N 3.09Å |
| 191 | Y | 98.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.8 | -49.6 | 167.9 | -173.6 | -72.8 | 0 | 0 | 0 | 111.4 | F103 V106 K107 I110 L125 A129 A187 L189 A195 | F103-Y191 AromaticContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD1 3.68Å; F103-Y191 HydrophobicContact CD2-CD2 4.11Å; F103-Y191 HydrophobicContact CD2-CE1 4.33Å; F103-Y191 AromaticContact CD2-CG 3.6Å; F103-Y191 HydrophobicContact CD2-CG 3.6Å; F103-Y191 HydrophobicContact CE2-CD1 4.03Å; F103-Y191 AromaticContact CE2-CD2 3.61Å; F103-Y191 HydrophobicContact CE2-CD2 3.61Å; F103-Y191 HydrophobicContact CE2-CE2 4.11Å; F103-Y191 AromaticContact CE2-CG 3.58Å; F103-Y191 HydrophobicContact CE2-CG 3.58Å; V106-Y191 HydrophobicContact CG1-CE1 4.24Å; K107-Y191 WeakPolarHBondContact CA-OH 3.19Å; K107-Y191 HydrophobicContact CB-CE1 4.24Å; K107-Y191 HydrophobicContact CD-CE2 4.5Å; K107-Y191 HydrophobicContact CG-CE2 4.3Å; I110-Y191 HydrophobicContact CD1-CE1 4.32Å; L125-Y191 HydrophobicContact CB-CD2 3.96Å; L125-Y191 HydrophobicContact CB-CE2 3.53Å; L125-Y191 HydrophobicContact CD2-CD1 4.04Å; L125-Y191 HydrophobicContact CD2-CD2 3.76Å; L125-Y191 HydrophobicContact CD2-CE1 4.21Å; L125-Y191 HydrophobicContact CD2-CE2 3.98Å; L125-Y191 HydrophobicContact CD2-CG 3.77Å; L125-Y191 VanDerWaalsContact CD2-O 3.25Å; L125-Y191 WeakPolarHBondContact CD2-O 3.4Å; L125-Y191 HydrophobicContact CG-CD2 4.43Å; L125-Y191 HydrophobicContact CG-CE2 4.22Å; L125-Y191 WeakPolarHBondContact O-CD2 3.29Å; L125-Y191 WeakPolarHBondContact O-CE2 3.46Å; A129-Y191 HydrophobicContact CB-CD2 4.23Å; A129-Y191 HydrophobicContact CB-CE2 4.07Å; A187-Y191 WeakPolarHBondContact O-CB 3.36Å; A187-Y191 PolarHBondContact O-N 2.84Å; L189-Y191 VanDerWaalsContact C-N 3.32Å; L189-Y191 PolarHBondContact O-N 2.95Å; Y191-A195 HydrophobicContact CD1-CB 4.34Å; Y191-A195 HydrophobicContact CE1-CB 4.25Å; Y191-A195 WeakPolarHBondContact O-CB 3.46Å; Y191-A195 PolarHBondContact O-N 2.78Å |
| 192 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | -179.6 | -76.1 | 171.6 | 0 | 0 | 0 | 112.8 | V89 L93 Q99 F102 F103 V106 M188 L189 E190 I194 A195 Q196 | V89-L192 HydrophobicContact CB-CB 4.21Å; V89-L192 HydrophobicContact CG1-CB 4.21Å; V89-L192 HydrophobicContact CG2-CB 3.97Å; L93-L192 HydrophobicContact CD1-CD1 3.9Å; Q99-L192 HydrophobicContact CG-CD1 4.17Å; F102-L192 HydrophobicContact CB-CD1 3.91Å; F102-L192 HydrophobicContact CB-CD2 4.27Å; F103-L192 HydrophobicContact CB-CD1 4.15Å; F103-L192 HydrophobicContact CB-CG 4.27Å; V106-L192 HydrophobicContact CB-CD2 4.02Å; V106-L192 HydrophobicContact CG1-CD2 4.36Å; V106-L192 HydrophobicContact CG2-CD2 3.82Å; M188-L192 WeakPolarHBondContact O-CG 3.14Å; M188-L192 PolarHBondContact O-N 2.79Å; L189-L192 CarbonylContact O-C 3.47Å; L189-L192 PolarHBondContact O-N 3.4Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-L192 PolarHBondContact O-N 2.81Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-I194 PolarHBondContact O-N 3.39Å; L192-A195 PolarHBondContact O-N 3.48Å; L192-Q196 WeakPolarHBondContact O-CB 3.47Å; L192-Q196 PolarHBondContact O-N 2.94Å |
| 193 | K | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 10% | 0.1 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -34 | 178.4 | -75 | 171.2 | 63.6 | -125.6 | 0 | 112.3 | V89 A90 L189 E190 Q196 E520 | V89-K193 HydrophobicContact CG2-CB 4.33Å; V89-K193 HydrophobicContact CG2-CG 3.65Å; A90-K193 HydrophobicContact CB-CD 4.12Å; A90-K193 HydrophobicContact CB-CG 4.23Å; L189-K193 HydrophobicContact CG-CD 4.09Å; L189-K193 HydrophobicContact CG-CG 4.42Å; L189-K193 WeakPolarHBondContact O-CG 3.4Å; L189-K193 PolarHBondContact O-N 2.95Å; E190-K193 PolarHBondContact O-N 2.74Å; E190-K193 IonicContact OE1-NZ 3.29Å; E190-K193 PolarHBondContact OE1-NZ 3.31Å; E190-K193 IonicContact OE2-NZ 2.74Å; E190-K193 PolarHBondContact OE2-NZ 2.86Å; K193-Q196 WeakPolarHBondContact O-CG 3.13Å; K193-E520 HydrophobicContact CB-CG 4.28Å; K193-E520 WeakPolarHBondContact CE-OE2 3.29Å; K193-E520 IonicContact NZ-OE1 2.88Å; K193-E520 PolarHBondContact NZ-OE1 3.03Å; K193-E520 IonicContact NZ-OE2 2.65Å; K193-E520 PolarHBondContact NZ-OE2 3.48Å |
| 194 | I | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -78.6 | -43.1 | 172 | -64.9 | 168.5 | 0 | 0 | 0 | 110.6 | T121 L124 L125 Y128 E190 L192 Q196 D197 E520 V527 | T121-I194 HydrophobicContact CG2-CG2 3.64Å; L124-I194 HydrophobicContact CD2-CD1 3.94Å; L124-I194 HydrophobicContact CG-CD1 4.3Å; L125-I194 HydrophobicContact CD2-CB 3.91Å; L125-I194 HydrophobicContact CD2-CG2 3.86Å; L125-I194 HydrophobicContact CG-CG2 4.24Å; Y128-I194 HydrophobicContact CD2-CD1 4.11Å; Y128-I194 HydrophobicContact CE2-CD1 3.52Å; E190-I194 WeakPolarHBondContact O-CG1 3.48Å; E190-I194 PolarHBondContact O-N 2.88Å; E190-I194 VanDerWaalsContact O-N 3.09Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-I194 PolarHBondContact O-N 3.39Å; I194-Q196 VanDerWaalsContact C-N 3.34Å; I194-Q196 PolarHBondContact O-N 2.86Å; I194-D197 PolarHBondContact O-N 3.36Å; I194-E520 HydrophobicContact CG1-CG 4.25Å; I194-V527 HydrophobicContact CD1-CG1 3.9Å; I194-V527 HydrophobicContact CD1-CG2 4.16Å; I194-V527 HydrophobicContact CG1-CG1 3.98Å |
| 195 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.7 | -27.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | V106 I110 L125 Y191 L192 D197 L198 Y201 | V106-A195 HydrophobicContact CG1-CB 3.71Å; I110-A195 HydrophobicContact CD1-CB 4.02Å; L125-A195 HydrophobicContact CD1-CB 4.36Å; L125-A195 HydrophobicContact CD2-CB 4.46Å; Y191-A195 HydrophobicContact CD1-CB 4.34Å; Y191-A195 HydrophobicContact CE1-CB 4.25Å; Y191-A195 WeakPolarHBondContact O-CB 3.46Å; Y191-A195 PolarHBondContact O-N 2.78Å; L192-A195 PolarHBondContact O-N 3.48Å; A195-D197 PolarHBondContact O-N 2.72Å; A195-L198 HydrophobicContact CB-CD1 4.5Å; A195-L198 WeakPolarHBondContact O-CB 3.2Å; A195-L198 PolarHBondContact O-N 2.88Å; A195-Y201 HydrophobicContact CB-CD2 4.49Å; A195-Y201 VanDerWaalsContact O-CB 3.31Å; A195-Y201 WeakPolarHBondContact O-CB 3.39Å; A195-Y201 VanDerWaalsContact O-CD2 3.25Å; A195-Y201 WeakPolarHBondContact O-CD2 3.44Å |
| 196 | Q | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.6 | 179.1 | 66.9 | 173.8 | -15 | 0 | 0 | 113.8 | D88 V89 L192 K193 I194 Y201 K564 | D88-Q196 PolarHBondContact OD1-NE2 3.21Å; D88-Q196 PolarHBondContact OD1-OE1 3Å; V89-Q196 HydrophobicContact CG1-CB 4.26Å; V89-Q196 HydrophobicContact CG2-CG 4.46Å; V89-Q196 VanDerWaalsContact N-OE1 3.11Å; L192-Q196 WeakPolarHBondContact O-CB 3.47Å; L192-Q196 PolarHBondContact O-N 2.94Å; K193-Q196 WeakPolarHBondContact O-CG 3.13Å; I194-Q196 VanDerWaalsContact C-N 3.34Å; I194-Q196 PolarHBondContact O-N 2.86Å; Q196-Y201 HydrophobicContact CB-CD1 4.01Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.28Å; Q196-Y201 HydrophobicContact CB-CG 4.48Å; Q196-K564 PolarHBondContact O-NZ 3.25Å |
| 197 | D | 98.1 | Very high | 98 | Very high | 21 Ų | 21 | 18.9 Ų | 18.9 | 11% | 0.112 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.2 | -178.5 | -63.9 | -20.1 | 0 | 0 | 0 | 113.4 | I194 A195 T519 E520 K564 Y565 | I194-D197 PolarHBondContact O-N 3.36Å; A195-D197 PolarHBondContact O-N 2.72Å; D197-T519 HydrophobicContact CB-CG2 4.01Å; D197-T519 WeakPolarHBondContact OD2-CA 3.32Å; D197-T519 WeakPolarHBondContact OD2-CB 3.48Å; D197-E520 PolarHBondContact OD2-N 2.95Å; D197-K564 WeakPolarHBondContact O-CB 3.21Å; D197-K564 WeakPolarHBondContact O-CD 3.36Å; D197-Y565 VanDerWaalsContact OD1-CE2 3.26Å; D197-Y565 WeakPolarHBondContact OD1-CE2 3.28Å; D197-Y565 PolarHBondContact OD1-OH 2.82Å; D197-Y565 VanDerWaalsContact OD1-OH 3.05Å |
| 198 | L | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -61.2 | 137.8 | 175 | -64.1 | 174.9 | 0 | 0 | 0 | 110.3 | I110 I115 C117 T121 A195 M200 Y201 K564 | I110-L198 HydrophobicContact CD1-CD1 3.63Å; I110-L198 HydrophobicContact CG1-CD1 4.11Å; I115-L198 HydrophobicContact CG2-CB 4.33Å; I115-L198 HydrophobicContact CG2-CD1 4Å; C117-L198 HydrophobicContact CB-CD1 4.02Å; C117-L198 HydrophobicContact CB-CD2 4.4Å; T121-L198 HydrophobicContact CG2-CD2 4.26Å; A195-L198 HydrophobicContact CB-CD1 4.5Å; A195-L198 WeakPolarHBondContact O-CB 3.2Å; A195-L198 PolarHBondContact O-N 2.88Å; L198-M200 PolarHBondContact O-N 2.9Å; L198-M200 VanDerWaalsContact O-N 3.15Å; L198-Y201 WeakPolarHBondContact O-CB 3.39Å; L198-Y201 PolarHBondContact O-N 2.65Å; L198-K564 PolarHBondContact O-NZ 3.28Å |
| 199 | E | 97.9 | Very high | 98 | Very high | 24 Ų | 24 | 22 Ų | 22 | 11% | 0.112 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.9 | -169.3 | -56.9 | 96.2 | 130.6 | 0 | 0 | 112.5 | I203 L234 H554 | E199-I203 WeakPolarHBondContact O-CD1 3.49Å; E199-L234 HydrophobicContact CB-CB 4.06Å; E199-L234 HydrophobicContact CB-CD2 4.25Å; E199-L234 HydrophobicContact CG-CB 4.26Å; E199-H554 IonicContact OE1-CE1 2.73Å; E199-H554 IonicContact OE1-CG 3.86Å; E199-H554 IonicContact OE1-ND1 2.82Å; E199-H554 PolarHBondContact OE1-ND1 3.34Å; E199-H554 IonicContact OE2-ND1 3.22Å |
| 200 | M | 98.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 20.9 Ų | 20.9 | 10% | 0.099 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -8.3 | 178.8 | -57 | -172.1 | 64.9 | 0 | 0 | 114.5 | E114 I115 Y116 L198 G202 I203 Y205 K233 L234 | E114-M200 WeakPolarHBondContact O-CE 3.35Å; I115-M200 HydrophobicContact CG2-CB 4.22Å; Y116-M200 VanDerWaalsContact CB-SD 3.55Å; Y116-M200 PolarHBondContact N-SD 2.74Å; L198-M200 PolarHBondContact O-N 2.9Å; L198-M200 VanDerWaalsContact O-N 3.15Å; M200-G202 PolarHBondContact O-N 2.73Å; M200-I203 PolarHBondContact O-N 3.16Å; M200-Y205 HydrophobicContact CB-CE2 4.47Å; M200-Y205 HydrophobicContact CE-CE2 3.87Å; M200-Y205 WeakPolarHBondContact CG-OH 3.5Å; M200-K233 HydrophobicContact CE-CB 4.42Å; M200-K233 HydrophobicContact CE-CD 4.49Å; M200-L234 HydrophobicContact CG-CD2 3.54Å; M200-L234 HydrophobicContact SD-CD2 3.77Å |
| 201 | Y | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 128 | -175.5 | 171.2 | -81.1 | 0 | 0 | 0 | 112.1 | F85 V89 V106 A195 Q196 L198 I203 K564 | F85-Y201 AromaticContact CD1-CE1 3.92Å; F85-Y201 HydrophobicContact CD1-CE1 3.92Å; F85-Y201 HydrophobicContact CD1-CE2 4.22Å; F85-Y201 AromaticContact CD1-CZ 3.67Å; F85-Y201 HydrophobicContact CE1-CE2 4.24Å; V89-Y201 VanDerWaalsContact CG1-OH 3.25Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.46Å; V106-Y201 HydrophobicContact CG1-CD2 4.02Å; V106-Y201 HydrophobicContact CG1-CE2 3.96Å; V106-Y201 HydrophobicContact CG2-CD2 4.27Å; V106-Y201 HydrophobicContact CG2-CE2 3.65Å; A195-Y201 HydrophobicContact CB-CD2 4.49Å; A195-Y201 VanDerWaalsContact O-CB 3.31Å; A195-Y201 WeakPolarHBondContact O-CB 3.39Å; A195-Y201 VanDerWaalsContact O-CD2 3.25Å; A195-Y201 WeakPolarHBondContact O-CD2 3.44Å; Q196-Y201 HydrophobicContact CB-CD1 4.01Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.28Å; Q196-Y201 HydrophobicContact CB-CG 4.48Å; L198-Y201 WeakPolarHBondContact O-CB 3.39Å; L198-Y201 PolarHBondContact O-N 2.65Å; Y201-I203 VanDerWaalsContact C-N 3.27Å; Y201-I203 WeakPolarHBondContact O-CG1 3.22Å; Y201-I203 PolarHBondContact O-N 2.89Å; Y201-K564 PolarHBondContact O-NZ 2.8Å; Y201-K564 VanDerWaalsContact O-NZ 3.07Å |
| 202 | G | 96.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 12% | 0.124 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -4.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M200 | M200-G202 PolarHBondContact O-N 2.73Š|
| 203 | I | 97.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.097 | 16% | 0.156 | C | C | . | . | trans | -91.1 | 120.7 | -167.1 | -48.7 | -162.7 | 0 | 0 | 0 | 111.8 | E199 M200 Y201 Y205 D221 Y228 | E199-I203 WeakPolarHBondContact O-CD1 3.49Å; M200-I203 PolarHBondContact O-N 3.16Å; Y201-I203 VanDerWaalsContact C-N 3.27Å; Y201-I203 WeakPolarHBondContact O-CG1 3.22Å; Y201-I203 PolarHBondContact O-N 2.89Å; I203-Y205 HydrophobicContact CB-CD2 4.36Å; I203-Y205 HydrophobicContact CB-CE2 3.75Å; I203-Y205 HydrophobicContact CG2-CD1 4.4Å; I203-Y205 HydrophobicContact CG2-CD2 4.13Å; I203-Y205 HydrophobicContact CG2-CE1 4.12Å; I203-Y205 HydrophobicContact CG2-CE2 3.79Å; I203-Y205 HydrophobicContact CG2-CG 4.41Å; I203-Y205 WeakPolarHBondContact O-CD2 3.43Å; I203-Y205 PolarHBondContact O-N 3.45Å; I203-D221 HydrophobicContact CG1-CB 4.14Å; I203-Y228 WeakPolarHBondContact CD1-OH 3.16Å | ||
| 204 | N | 97.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 13% | 0.134 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 103.7 | 169.7 | -81 | -108.3 | 0 | 0 | 0 | 109.9 | F206 V220 R279 L283 | N204-F206 HydrophobicContact CB-CE2 3.72Å; N204-F206 HydrophobicContact CB-CZ 4.06Å; N204-F206 WeakPolarHBondContact O-CD2 3.22Å; N204-F206 WeakPolarHBondContact O-CE2 3.26Å; N204-V220 HydrophobicContact CB-CB 4.38Å; N204-V220 PolarHBondContact N-O 2.93Å; N204-V220 PolarHBondContact O-N 3.49Å; N204-R279 PolarHBondContact OD1-NH2 2.91Å; N204-L283 HydrophobicContact CB-CD1 3.91Å; N204-L283 WeakPolarHBondContact OD1-CD1 3.34Å |
| 205 | Y | 97.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 37 Ų | 37 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.5 | 177.5 | -62.9 | -93.3 | 0 | 0 | 0 | 112.8 | M200 I203 W217 L218 Y228 K233 | M200-Y205 HydrophobicContact CB-CE2 4.47Å; M200-Y205 HydrophobicContact CE-CE2 3.87Å; M200-Y205 WeakPolarHBondContact CG-OH 3.5Å; I203-Y205 HydrophobicContact CB-CD2 4.36Å; I203-Y205 HydrophobicContact CB-CE2 3.75Å; I203-Y205 HydrophobicContact CG2-CD1 4.4Å; I203-Y205 HydrophobicContact CG2-CD2 4.13Å; I203-Y205 HydrophobicContact CG2-CE1 4.12Å; I203-Y205 HydrophobicContact CG2-CE2 3.79Å; I203-Y205 HydrophobicContact CG2-CG 4.41Å; I203-Y205 WeakPolarHBondContact O-CD2 3.43Å; I203-Y205 PolarHBondContact O-N 3.45Å; Y205-W217 HydrophobicContact CD1-CB 4.24Å; Y205-L218 CarbonylContact C-O 3.46Å; Y205-L218 WeakPolarHBondContact CA-O 3.19Å; Y205-Y228 HydrophobicContact CD1-CE2 4.45Å; Y205-Y228 HydrophobicContact CE1-CD1 4.41Å; Y205-Y228 HydrophobicContact CE1-CD2 4.26Å; Y205-Y228 HydrophobicContact CE1-CE1 4.08Å; Y205-Y228 AromaticContact CE1-CE2 3.97Å; Y205-Y228 HydrophobicContact CE1-CE2 3.97Å; Y205-Y228 AromaticContact CE1-CZ 3.89Å; Y205-K233 HydrophobicContact CD1-CD 4.28Å; Y205-K233 HydrophobicContact CD1-CG 4.2Å; Y205-K233 HydrophobicContact CE1-CB 3.84Å; Y205-K233 HydrophobicContact CE1-CD 4.34Å; Y205-K233 HydrophobicContact CE1-CG 3.98Å; Y205-K233 PolarHBondContact OH-O 3.26Å |
| 206 | F | 97.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.2 | 174.3 | -61.1 | -76.1 | 0 | 0 | 0 | 111.8 | N204 I208 W217 L218 V220 I276 R279 I280 L283 | N204-F206 HydrophobicContact CB-CE2 3.72Å; N204-F206 HydrophobicContact CB-CZ 4.06Å; N204-F206 WeakPolarHBondContact O-CD2 3.22Å; N204-F206 WeakPolarHBondContact O-CE2 3.26Å; F206-I208 PolarHBondContact O-N 2.9Å; F206-W217 CarbonylContact O-C 3.55Å; F206-W217 WeakPolarHBondContact O-CA 3.39Å; F206-L218 HydrophobicContact CB-CB 4.45Å; F206-L218 PolarHBondContact N-O 2.88Å; F206-L218 PolarHBondContact O-N 3.35Å; F206-V220 HydrophobicContact CD2-CG2 4.02Å; F206-V220 HydrophobicContact CE2-CB 4.47Å; F206-V220 HydrophobicContact CE2-CG2 3.93Å; F206-I276 HydrophobicContact CB-CG2 4.4Å; F206-I276 HydrophobicContact CD1-CG2 3.78Å; F206-I276 HydrophobicContact CG-CG2 4.37Å; F206-R279 HydrophobicContact CE1-CB 4.48Å; F206-R279 HydrophobicContact CE1-CG 3.93Å; F206-R279 HydrophobicContact CZ-CG 3.87Å; F206-I280 HydrophobicContact CB-CD1 4.03Å; F206-I280 HydrophobicContact CB-CG1 4.31Å; F206-I280 HydrophobicContact CD1-CD1 4.42Å; F206-I280 HydrophobicContact CD1-CG1 3.98Å; F206-I280 HydrophobicContact CD2-CD1 4.26Å; F206-I280 HydrophobicContact CD2-CG1 3.66Å; F206-I280 HydrophobicContact CE1-CG1 4.25Å; F206-I280 HydrophobicContact CE2-CG1 3.92Å; F206-I280 HydrophobicContact CG-CD1 3.96Å; F206-I280 HydrophobicContact CG-CG1 3.68Å; F206-I280 HydrophobicContact CZ-CG1 4.23Å; F206-L283 HydrophobicContact CE2-CD1 3.92Å; F206-L283 HydrophobicContact CZ-CD1 3.57Å |
| 207 | E | 97.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 41% | 0.411 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.6 | 171.1 | -61.5 | -172.8 | 125.7 | 0 | 0 | 110.5 | W217 K230 P272 | E207-W217 HydrophobicContact CB-CZ3 4.48Å; E207-W217 HydrophobicContact CG-CE3 3.91Å; E207-W217 HydrophobicContact CG-CH2 3.53Å; E207-W217 HydrophobicContact CG-CZ2 4.28Å; E207-W217 HydrophobicContact CG-CZ3 3.34Å; E207-K230 IonicContact OE1-NZ 3.64Å; E207-K230 PolarHBondContact OE1-NZ 3.11Å; E207-P272 VanDerWaalsContact O-CD 3.27Å; E207-P272 WeakPolarHBondContact O-CD 3.25Å |
| 208 | I | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 167.2 | 178.5 | 61.6 | 153.1 | 0 | 0 | 0 | 110.7 | F206 L216 L218 I227 F269 Y270 F583 | F206-I208 PolarHBondContact O-N 2.9Å; I208-L216 HydrophobicContact CD1-CB 4.41Å; I208-L216 HydrophobicContact CG1-CB 4.09Å; I208-L216 WeakPolarHBondContact CG1-O 3.4Å; I208-L216 PolarHBondContact N-O 3.12Å; I208-L216 PolarHBondContact O-N 2.88Å; I208-L216 VanDerWaalsContact O-O 3.11Å; I208-L218 HydrophobicContact CD1-CB 3.94Å; I208-L218 HydrophobicContact CG1-CB 4.09Å; I208-L218 HydrophobicContact CG2-CB 3.94Å; I208-I227 HydrophobicContact CD1-CD1 4.21Å; I208-F269 HydrophobicContact CB-CB 4.39Å; I208-F269 HydrophobicContact CB-CD2 3.8Å; I208-F269 HydrophobicContact CB-CE2 4.44Å; I208-F269 HydrophobicContact CB-CG 4.3Å; I208-F269 HydrophobicContact CD1-CB 3.93Å; I208-F269 HydrophobicContact CD1-CD1 4.41Å; I208-F269 HydrophobicContact CD1-CD2 4.28Å; I208-F269 HydrophobicContact CD1-CG 3.97Å; I208-F269 HydrophobicContact CG2-CD2 3.41Å; I208-F269 VanDerWaalsContact CG2-CD2 3.41Å; I208-F269 HydrophobicContact CG2-CE2 3.56Å; I208-F269 HydrophobicContact CG2-CG 4.23Å; I208-F269 HydrophobicContact CG2-CZ 4.44Å; I208-Y270 CarbonylContact C-O 3.51Å; I208-Y270 WeakPolarHBondContact CA-O 3.35Å; I208-F583 HydrophobicContact CD1-CE2 4.02Å; I208-F583 HydrophobicContact CD1-CZ 4.21Å |
| 209 | K | 98.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.8 | 168.5 | -68.8 | 174.3 | 175.6 | -86.1 | 0 | 111.1 | G213 T214 E215 F269 Y270 | K209-G213 WeakPolarHBondContact CD-O 3.3Å; K209-G213 WeakPolarHBondContact CG-O 3.41Å; K209-G213 PolarHBondContact NZ-O 2.7Å; K209-T214 VanDerWaalsContact CA-O 3.28Å; K209-T214 WeakPolarHBondContact CA-O 3.31Å; K209-E215 WeakPolarHBondContact CE-OE1 3.39Å; K209-E215 IonicContact NZ-OE1 3.26Å; K209-E215 PolarHBondContact NZ-OE1 2.93Å; K209-F269 CarbonylContact O-C 3.53Å; K209-F269 WeakPolarHBondContact O-CA 3.45Å; K209-F269 WeakPolarHBondContact O-CB 3.38Å; K209-Y270 PolarHBondContact N-O 3.12Å; K209-Y270 PolarHBondContact O-N 3.24Å |
| 210 | N | 96.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | trans | -77.5 | -172.8 | 168.4 | 72.5 | 2.3 | 0 | 0 | 0 | 110.9 | K212 G213 T214 L216 F583 L586 | N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.75Å; N210-K212 WeakPolarHBondContact OD1-CB 3.43Å; N210-K212 PolarHBondContact OD1-N 2.87Å; N210-K212 VanDerWaalsContact OD1-N 3.11Å; N210-G213 PolarHBondContact O-N 3.17Å; N210-G213 PolarHBondContact OD1-N 2.92Å; N210-G213 VanDerWaalsContact OD1-N 3.08Å; N210-T214 PolarHBondContact OD1-N 2.89Å; N210-T214 VanDerWaalsContact OD1-N 3.17Å; N210-L216 HydrophobicContact CB-CD1 4.36Å; N210-F583 HydrophobicContact CB-CD1 4.03Å; N210-F583 HydrophobicContact CB-CE1 3.36Å; N210-F583 HydrophobicContact CB-CE2 4.21Å; N210-F583 HydrophobicContact CB-CZ 3.47Å; N210-F583 VanDerWaalsContact CB-CZ 3.47Å; N210-F583 PolarHBondContact ND2-O 3.36Å; N210-L586 PolarHBondContact ND2-OXT 2.73Å | ||
| 211 | K | 95.3 | Very high | 97.5 | Very high | 116 Ų | 116 | 35.4 Ų | 35.4 | 50% | 0.504 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.9 | -178.8 | -64.5 | 176.9 | -172.6 | 85.1 | 0 | 113.5 | Y270 E584 | K211-Y270 HydrophobicContact CG-CE2 4.27Å; K211-E584 VanDerWaalsContact CB-OE2 3.23Å; K211-E584 WeakPolarHBondContact CB-OE2 3.46Å; K211-E584 WeakPolarHBondContact CG-OE1 3.4Å; K211-E584 WeakPolarHBondContact CG-OE2 3.32Å; K211-E584 PolarHBondContact N-OE2 2.75Å; K211-E584 IonicContact NZ-OE1 3.47Å; K211-E584 PolarHBondContact NZ-OE1 3.36Å |
| 212 | K | 95.4 | Very high | 97.4 | Very high | 131 Ų | 131 | 35.2 Ų | 35.2 | 57% | 0.57 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -23.5 | 174.3 | -70.1 | 159.8 | 162.8 | 169.6 | 0 | 113.3 | N210 E584 A585 L586 | N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.75Å; N210-K212 WeakPolarHBondContact OD1-CB 3.43Å; N210-K212 PolarHBondContact OD1-N 2.87Å; N210-K212 VanDerWaalsContact OD1-N 3.11Å; K212-E584 WeakPolarHBondContact CD-O 3.28Å; K212-E584 WeakPolarHBondContact CE-O 2.96Å; K212-E584 PolarHBondContact NZ-O 2.83Å; K212-A585 PolarHBondContact NZ-O 3.34Å; K212-L586 WeakPolarHBondContact CD-OXT 3.39Å; K212-L586 PolarHBondContact NZ-OXT 2.83Å |
| 213 | G | 95.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | trans | 100.4 | 3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K209 N210 E215 | K209-G213 WeakPolarHBondContact CD-O 3.3Å; K209-G213 WeakPolarHBondContact CG-O 3.41Å; K209-G213 PolarHBondContact NZ-O 2.7Å; N210-G213 PolarHBondContact O-N 3.17Å; N210-G213 PolarHBondContact OD1-N 2.92Å; N210-G213 VanDerWaalsContact OD1-N 3.08Å; G213-E215 PolarHBondContact O-N 2.75Å | ||
| 214 | T | 97.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 29% | 0.288 | 17% | 0.166 | S | C | . | . | trans | -51.8 | 133.1 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | K209 N210 L216 L586 | K209-T214 VanDerWaalsContact CA-O 3.28Å; K209-T214 WeakPolarHBondContact CA-O 3.31Å; N210-T214 PolarHBondContact OD1-N 2.89Å; N210-T214 VanDerWaalsContact OD1-N 3.17Å; T214-L216 HydrophobicContact CG2-CD2 4.03Å; T214-L216 HydrophobicContact CG2-CG 4.14Å; T214-L586 WeakPolarHBondContact CB-O 3.36Å; T214-L586 WeakPolarHBondContact CG2-O 3.49Å; T214-L586 VanDerWaalsContact OG1-C 3.32Å; T214-L586 PolarHBondContact OG1-O 2.75Å; T214-L586 PolarHBondContact OG1-OXT 2.67Å | ||
| 215 | E | 98.1 | Very high | 97.3 | Very high | 90 Ų | 90 | 33.2 Ų | 33.2 | 42% | 0.421 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.7 | 179.1 | -49.8 | -129.6 | 145.7 | 0 | 0 | 110.8 | K209 G213 K230 | K209-E215 WeakPolarHBondContact CE-OE1 3.39Å; K209-E215 IonicContact NZ-OE1 3.26Å; K209-E215 PolarHBondContact NZ-OE1 2.93Å; G213-E215 PolarHBondContact O-N 2.75Å; E215-K230 HydrophobicContact CB-CB 4.41Å; E215-K230 HydrophobicContact CB-CD 3.9Å; E215-K230 HydrophobicContact CB-CG 4.36Å; E215-K230 IonicContact OE2-NZ 3.05Å; E215-K230 PolarHBondContact OE2-NZ 2.83Å |
| 216 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 160.1 | -175.5 | -61.4 | 171.9 | 0 | 0 | 0 | 110.1 | I208 N210 T214 I227 Y228 F583 L586 | I208-L216 HydrophobicContact CD1-CB 4.41Å; I208-L216 HydrophobicContact CG1-CB 4.09Å; I208-L216 WeakPolarHBondContact CG1-O 3.4Å; I208-L216 PolarHBondContact N-O 3.12Å; I208-L216 PolarHBondContact O-N 2.88Å; I208-L216 VanDerWaalsContact O-O 3.11Å; N210-L216 HydrophobicContact CB-CD1 4.36Å; T214-L216 HydrophobicContact CG2-CD2 4.03Å; T214-L216 HydrophobicContact CG2-CG 4.14Å; L216-I227 HydrophobicContact CB-CG2 4.22Å; L216-I227 HydrophobicContact CD1-CG2 4.07Å; L216-Y228 WeakPolarHBondContact CA-O 3.44Å; L216-Y228 WeakPolarHBondContact CD2-O 3.23Å; L216-F583 HydrophobicContact CD1-CD2 4.05Å; L216-F583 HydrophobicContact CD1-CE2 3.58Å; L216-F583 HydrophobicContact CD1-CZ 4.29Å; L216-L586 HydrophobicContact CD1-CB 4.37Å; L216-L586 HydrophobicContact CD1-CD1 4Å; L216-L586 HydrophobicContact CD2-CB 4.47Å; L216-L586 HydrophobicContact CD2-CD1 3.98Å |
| 217 | W | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.2 | 165.9 | -58.7 | 95.7 | 0 | 0 | 0 | 110.5 | Y205 F206 E207 I227 Y228 K230 K233 | Y205-W217 HydrophobicContact CD1-CB 4.24Å; F206-W217 CarbonylContact O-C 3.55Å; F206-W217 WeakPolarHBondContact O-CA 3.39Å; E207-W217 HydrophobicContact CB-CZ3 4.48Å; E207-W217 HydrophobicContact CG-CE3 3.91Å; E207-W217 HydrophobicContact CG-CH2 3.53Å; E207-W217 HydrophobicContact CG-CZ2 4.28Å; E207-W217 HydrophobicContact CG-CZ3 3.34Å; W217-I227 WeakPolarHBondContact O-CA 3.41Å; W217-Y228 HydrophobicContact CB-CD2 4.28Å; W217-Y228 PolarHBondContact N-O 3.01Å; W217-Y228 PolarHBondContact O-N 2.77Å; W217-K230 HydrophobicContact CZ2-CD 4.42Å; W217-K230 PolarHBondContact NE1-O 3.35Å; W217-K233 VanDerWaalsContact CZ2-NZ 3.29Å |
| 218 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.8 | 161.2 | 176.9 | 71.3 | 0 | 0 | 0 | 108.4 | Y205 F206 I208 V220 L225 I227 F269 I280 | Y205-L218 CarbonylContact C-O 3.46Å; Y205-L218 WeakPolarHBondContact CA-O 3.19Å; F206-L218 HydrophobicContact CB-CB 4.45Å; F206-L218 PolarHBondContact N-O 2.88Å; F206-L218 PolarHBondContact O-N 3.35Å; I208-L218 HydrophobicContact CD1-CB 3.94Å; I208-L218 HydrophobicContact CG1-CB 4.09Å; I208-L218 HydrophobicContact CG2-CB 3.94Å; L218-V220 HydrophobicContact CD2-CG2 4Å; L218-V220 HydrophobicContact CG-CG2 4.08Å; L218-L225 HydrophobicContact CD1-CB 4.27Å; L218-L225 HydrophobicContact CD1-CD2 4.28Å; L218-I227 HydrophobicContact CD1-CD1 3.62Å; L218-F269 HydrophobicContact CD2-CE1 3.85Å; L218-F269 HydrophobicContact CD2-CE2 4.17Å; L218-F269 HydrophobicContact CD2-CZ 3.48Å; L218-F269 VanDerWaalsContact CD2-CZ 3.48Å; L218-I280 HydrophobicContact CD2-CD1 4.15Å; L218-I280 HydrophobicContact CD2-CG2 3.95Å |
| 219 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L225 N226 | G219-L225 WeakPolarHBondContact O-CA 3.34Å; G219-N226 PolarHBondContact N-O 2.93Å; G219-N226 PolarHBondContact O-N 2.69Å |
| 220 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.2 | 170.7 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | N204 F206 L218 L225 W242 I280 L283 | N204-V220 HydrophobicContact CB-CB 4.38Å; N204-V220 PolarHBondContact N-O 2.93Å; N204-V220 PolarHBondContact O-N 3.49Å; F206-V220 HydrophobicContact CD2-CG2 4.02Å; F206-V220 HydrophobicContact CE2-CB 4.47Å; F206-V220 HydrophobicContact CE2-CG2 3.93Å; L218-V220 HydrophobicContact CD2-CG2 4Å; L218-V220 HydrophobicContact CG-CG2 4.08Å; V220-L225 HydrophobicContact CB-CD2 4.19Å; V220-L225 HydrophobicContact CG1-CD2 3.99Å; V220-L225 HydrophobicContact CG2-CD2 3.79Å; V220-W242 HydrophobicContact CG1-CH2 4.08Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; V220-I280 HydrophobicContact CG2-CG2 4.42Å; V220-L283 HydrophobicContact CG1-CB 4.1Å |
| 221 | D | 97.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | trans | -138.2 | -174 | -177.7 | 69.1 | 32.8 | 0 | 0 | 0 | 112.5 | I203 L223 G224 N226 W242 N287 | I203-D221 HydrophobicContact CG1-CB 4.14Å; D221-L223 VanDerWaalsContact C-N 3.27Å; D221-L223 PolarHBondContact O-N 2.91Å; D221-L223 VanDerWaalsContact OD1-CA 3.3Å; D221-L223 WeakPolarHBondContact OD1-CA 3.23Å; D221-L223 WeakPolarHBondContact OD1-CB 3.1Å; D221-L223 PolarHBondContact OD1-N 3.48Å; D221-G224 PolarHBondContact N-O 2.84Å; D221-G224 PolarHBondContact OD1-N 3.48Å; D221-N226 PolarHBondContact OD2-ND2 2.66Å; D221-W242 WeakPolarHBondContact O-CZ2 3.37Å; D221-W242 PolarHBondContact O-NE1 3.11Å; D221-N287 WeakPolarHBondContact O-CB 3.43Å | ||
| 222 | A | 96.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -72.1 | -16.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | E87 | E87-A222 HydrophobicContact CG-CB 3.97Š|
| 223 | L | 95.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -103.3 | -17.7 | -174.1 | -58.8 | 170.1 | 0 | 0 | 0 | 113 | E87 D221 E514 Y565 L568 R572 | E87-L223 HydrophobicContact CB-CD2 4.11Å; E87-L223 HydrophobicContact CG-CD2 3.71Å; D221-L223 VanDerWaalsContact C-N 3.27Å; D221-L223 PolarHBondContact O-N 2.91Å; D221-L223 VanDerWaalsContact OD1-CA 3.3Å; D221-L223 WeakPolarHBondContact OD1-CA 3.23Å; D221-L223 WeakPolarHBondContact OD1-CB 3.1Å; D221-L223 PolarHBondContact OD1-N 3.48Å; L223-E514 HydrophobicContact CD2-CB 3.97Å; L223-Y565 HydrophobicContact CD1-CE1 4.47Å; L223-L568 HydrophobicContact CD1-CD1 3.79Å; L223-R572 PolarHBondContact O-NH1 3.06Å; L223-R572 PolarHBondContact O-NH2 3.19Å |
| 224 | G | 96.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.2 | -146.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | D221 F240 W242 | D221-G224 PolarHBondContact N-O 2.84Å; D221-G224 PolarHBondContact OD1-N 3.48Å; G224-F240 WeakPolarHBondContact CA-O 3.18Å; G224-W242 WeakPolarHBondContact O-CZ2 3.35Å |
| 225 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.9 | 172.3 | -62.1 | 179.9 | 0 | 0 | 0 | 109.4 | L218 G219 V220 G239 F240 W242 I245 I257 | L218-L225 HydrophobicContact CD1-CB 4.27Å; L218-L225 HydrophobicContact CD1-CD2 4.28Å; G219-L225 WeakPolarHBondContact O-CA 3.34Å; V220-L225 HydrophobicContact CB-CD2 4.19Å; V220-L225 HydrophobicContact CG1-CD2 3.99Å; V220-L225 HydrophobicContact CG2-CD2 3.79Å; L225-G239 WeakPolarHBondContact O-CA 3.4Å; L225-F240 HydrophobicContact CB-CB 4.49Å; L225-F240 PolarHBondContact N-O 3.13Å; L225-F240 PolarHBondContact O-N 3.07Å; L225-W242 HydrophobicContact CD1-CH2 4.48Å; L225-W242 HydrophobicContact CD1-CZ3 4.36Å; L225-W242 HydrophobicContact CD2-CH2 3.49Å; L225-W242 VanDerWaalsContact CD2-CH2 3.49Å; L225-W242 HydrophobicContact CD2-CZ2 4.11Å; L225-W242 HydrophobicContact CD2-CZ3 4.16Å; L225-W242 HydrophobicContact CG-CH2 3.8Å; L225-W242 HydrophobicContact CG-CZ2 4.47Å; L225-W242 HydrophobicContact CG-CZ3 4.01Å; L225-I245 HydrophobicContact CD1-CD1 3.71Å; L225-I245 HydrophobicContact CG-CD1 4.06Å; L225-I257 HydrophobicContact CD1-CD1 3.46Å; L225-I257 VanDerWaalsContact CD1-CD1 3.46Å; L225-I257 HydrophobicContact CD1-CG1 4.5Å |
| 226 | N | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.2 | 179 | -45.8 | -47.8 | 0 | 0 | 0 | 109.9 | G219 D221 Y228 P236 I238 | G219-N226 PolarHBondContact N-O 2.93Å; G219-N226 PolarHBondContact O-N 2.69Å; D221-N226 PolarHBondContact OD2-ND2 2.66Å; N226-Y228 HydrophobicContact CB-CE2 3.77Å; N226-P236 HydrophobicContact CB-CB 3.87Å; N226-I238 CarbonylContact C-O 3.56Å; N226-I238 WeakPolarHBondContact CA-O 3.45Å |
| 227 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.8 | 177.5 | -48.1 | -60.7 | 0 | 0 | 0 | 110 | I208 L216 W217 L218 P236 K237 I238 F267 F583 | I208-I227 HydrophobicContact CD1-CD1 4.21Å; L216-I227 HydrophobicContact CB-CG2 4.22Å; L216-I227 HydrophobicContact CD1-CG2 4.07Å; W217-I227 WeakPolarHBondContact O-CA 3.41Å; L218-I227 HydrophobicContact CD1-CD1 3.62Å; I227-P236 CarbonylContact O-C 3.58Å; I227-P236 WeakPolarHBondContact O-CA 3.44Å; I227-K237 PolarHBondContact O-N 2.93Å; I227-I238 HydrophobicContact CB-CB 4.24Å; I227-I238 HydrophobicContact CG1-CB 4.34Å; I227-I238 PolarHBondContact N-O 3.35Å; I227-F267 HydrophobicContact CD1-CZ 3.8Å; I227-F267 HydrophobicContact CG1-CZ 4.4Å; I227-F583 HydrophobicContact CD1-CD2 4.38Å; I227-F583 HydrophobicContact CD1-CE2 4.22Å; I227-F583 HydrophobicContact CG1-CD2 4.02Å; I227-F583 HydrophobicContact CG1-CE2 4.33Å; I227-F583 HydrophobicContact CG2-CD2 3.94Å; I227-F583 HydrophobicContact CG2-CE2 4.02Å |
| 228 | Y | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.8 | 179 | -44.1 | -117.8 | 0 | 0 | 0 | 110.7 | I203 Y205 L216 W217 N226 D232 K233 P236 | I203-Y228 WeakPolarHBondContact CD1-OH 3.16Å; Y205-Y228 HydrophobicContact CD1-CE2 4.45Å; Y205-Y228 HydrophobicContact CE1-CD1 4.41Å; Y205-Y228 HydrophobicContact CE1-CD2 4.26Å; Y205-Y228 HydrophobicContact CE1-CE1 4.08Å; Y205-Y228 AromaticContact CE1-CE2 3.97Å; Y205-Y228 HydrophobicContact CE1-CE2 3.97Å; Y205-Y228 AromaticContact CE1-CZ 3.89Å; L216-Y228 WeakPolarHBondContact CA-O 3.44Å; L216-Y228 WeakPolarHBondContact CD2-O 3.23Å; W217-Y228 HydrophobicContact CB-CD2 4.28Å; W217-Y228 PolarHBondContact N-O 3.01Å; W217-Y228 PolarHBondContact O-N 2.77Å; N226-Y228 HydrophobicContact CB-CE2 3.77Å; Y228-D232 WeakPolarHBondContact CB-O 3.43Å; Y228-K233 WeakPolarHBondContact CE1-O 3.5Å; Y228-P236 HydrophobicContact CD1-CB 3.96Å; Y228-P236 HydrophobicContact CE1-CB 3.66Å; Y228-P236 HydrophobicContact CE1-CG 4.07Å; Y228-P236 HydrophobicContact CE2-CB 4.23Å; Y228-P236 HydrophobicContact CG-CB 4.36Å |
| 229 | E | 97.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 22.4 Ų | 22.4 | 36% | 0.355 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 158.3 | 167.5 | -75.8 | 154.5 | -152.9 | 0 | 0 | 110.9 | D231 D232 K237 | E229-D231 PolarHBondContact O-N 2.81Å; E229-D231 VanDerWaalsContact O-N 3.12Å; E229-D232 PolarHBondContact O-N 3.46Å; E229-D232 VanDerWaalsContact O-O 3.09Å; E229-K237 HydrophobicContact CG-CG 4.36Å; E229-K237 IonicContact OE1-NZ 3.23Å; E229-K237 PolarHBondContact OE1-NZ 3.36Å; E229-K237 IonicContact OE2-NZ 3.13Å; E229-K237 PolarHBondContact OE2-NZ 2.77Å |
| 230 | K | 96.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 22.7 Ų | 22.7 | 27% | 0.265 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -35.7 | -174.3 | -171.5 | 65.5 | 177.6 | -151.5 | 0 | 113.7 | E207 E215 W217 | E207-K230 IonicContact OE1-NZ 3.64Å; E207-K230 PolarHBondContact OE1-NZ 3.11Å; E215-K230 HydrophobicContact CB-CB 4.41Å; E215-K230 HydrophobicContact CB-CD 3.9Å; E215-K230 HydrophobicContact CB-CG 4.36Å; E215-K230 IonicContact OE2-NZ 3.05Å; E215-K230 PolarHBondContact OE2-NZ 2.83Å; W217-K230 HydrophobicContact CZ2-CD 4.42Å; W217-K230 PolarHBondContact NE1-O 3.35Å |
| 231 | D | 96.6 | Very high | 97.3 | Very high | 121 Ų | 121 | 22.7 Ų | 22.7 | 65% | 0.647 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -5.5 | -168.5 | -55.1 | -33.3 | 0 | 0 | 0 | 113.7 | E229 H549 | E229-D231 PolarHBondContact O-N 2.81Å; E229-D231 VanDerWaalsContact O-N 3.12Å; D231-H549 PolarHBondContact O-CD2 3.37Å; D231-H549 PolarHBondContact O-NE2 2.98Å |
| 232 | D | 97.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | trans | -123.8 | 123.8 | 177.5 | -174 | -11.7 | 0 | 0 | 0 | 110 | Y228 E229 L234 T235 I553 | Y228-D232 WeakPolarHBondContact CB-O 3.43Å; E229-D232 PolarHBondContact O-N 3.46Å; E229-D232 VanDerWaalsContact O-O 3.09Å; D232-L234 PolarHBondContact OD1-N 3.25Å; D232-T235 PolarHBondContact OD1-N 2.98Å; D232-T235 PolarHBondContact OD1-OG1 3.46Å; D232-T235 WeakPolarHBondContact OD2-CB 3.39Å; D232-T235 PolarHBondContact OD2-OG1 3.02Å; D232-I553 HydrophobicContact CB-CD1 4.09Å | ||
| 233 | K | 97.4 | Very high | 96.9 | Very high | 62 Ų | 62 | 22.9 Ų | 22.9 | 27% | 0.27 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -111.6 | -5.9 | 174.7 | -72.6 | -177.2 | 177.6 | 176.8 | 0 | 113.9 | M200 Y205 W217 Y228 | M200-K233 HydrophobicContact CE-CB 4.42Å; M200-K233 HydrophobicContact CE-CD 4.49Å; Y205-K233 HydrophobicContact CD1-CD 4.28Å; Y205-K233 HydrophobicContact CD1-CG 4.2Å; Y205-K233 HydrophobicContact CE1-CB 3.84Å; Y205-K233 HydrophobicContact CE1-CD 4.34Å; Y205-K233 HydrophobicContact CE1-CG 3.98Å; Y205-K233 PolarHBondContact OH-O 3.26Å; W217-K233 VanDerWaalsContact CZ2-NZ 3.29Å; Y228-K233 WeakPolarHBondContact CE1-O 3.5Å |
| 234 | L | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -91 | -42.5 | 178.9 | -50.8 | -172.4 | 0 | 0 | 0 | 110.3 | Y116 E199 M200 D232 P236 N550 I553 H554 | Y116-L234 HydrophobicContact CD1-CD1 3.89Å; Y116-L234 HydrophobicContact CD1-CD2 3.93Å; Y116-L234 HydrophobicContact CE1-CD1 4.09Å; Y116-L234 HydrophobicContact CG-CD1 4.36Å; Y116-L234 HydrophobicContact CG-CD2 4.08Å; E199-L234 HydrophobicContact CB-CB 4.06Å; E199-L234 HydrophobicContact CB-CD2 4.25Å; E199-L234 HydrophobicContact CG-CB 4.26Å; M200-L234 HydrophobicContact CG-CD2 3.54Å; M200-L234 HydrophobicContact SD-CD2 3.77Å; D232-L234 PolarHBondContact OD1-N 3.25Å; L234-P236 WeakPolarHBondContact O-CD 3.4Å; L234-N550 HydrophobicContact CD1-CB 4.29Å; L234-N550 WeakPolarHBondContact CD1-O 3.33Å; L234-I553 HydrophobicContact CB-CG2 3.97Å; L234-I553 HydrophobicContact CD1-CB 4.15Å; L234-I553 HydrophobicContact CD1-CG2 4Å; L234-I553 HydrophobicContact CG-CG2 4.25Å; L234-H554 HydrophobicContact CD1-CB 3.88Å |
| 235 | T | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.043 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -101.3 | 95.9 | -176.1 | -24.4 | 0 | 0 | 0 | 0 | 111.2 | D232 K237 N557 T567 | D232-T235 PolarHBondContact OD1-N 2.98Å; D232-T235 PolarHBondContact OD1-OG1 3.46Å; D232-T235 WeakPolarHBondContact OD2-CB 3.39Å; D232-T235 PolarHBondContact OD2-OG1 3.02Å; T235-K237 WeakPolarHBondContact O-CE 3.49Å; T235-N557 PolarHBondContact OG1-ND2 3.33Å; T235-T567 HydrophobicContact CG2-CG2 4.13Å |
| 236 | P | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 7% | 0.071 | 13% | 0.129 | C | C | . | . | trans | -63 | 152.5 | 166.5 | 29 | -35 | 0 | 0 | 0 | 110.1 | N226 I227 Y228 L234 T567 I571 | N226-P236 HydrophobicContact CB-CB 3.87Å; I227-P236 CarbonylContact O-C 3.58Å; I227-P236 WeakPolarHBondContact O-CA 3.44Å; Y228-P236 HydrophobicContact CD1-CB 3.96Å; Y228-P236 HydrophobicContact CE1-CB 3.66Å; Y228-P236 HydrophobicContact CE1-CG 4.07Å; Y228-P236 HydrophobicContact CE2-CB 4.23Å; Y228-P236 HydrophobicContact CG-CB 4.36Å; L234-P236 WeakPolarHBondContact O-CD 3.4Å; P236-T567 HydrophobicContact CG-CG2 4.11Å; P236-I571 HydrophobicContact CB-CD1 3.65Å; P236-I571 HydrophobicContact CG-CD1 3.66Å; P236-I571 WeakPolarHBondContact O-CG2 3.35Å | ||
| 237 | K | 97.4 | Very high | 96.2 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 33% | 0.326 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -108.9 | -29.7 | -179.1 | -51.2 | -53.9 | 178 | 89.1 | 0 | 113 | I227 E229 T235 I571 | I227-K237 PolarHBondContact O-N 2.93Å; E229-K237 HydrophobicContact CG-CG 4.36Å; E229-K237 IonicContact OE1-NZ 3.23Å; E229-K237 PolarHBondContact OE1-NZ 3.36Å; E229-K237 IonicContact OE2-NZ 3.13Å; E229-K237 PolarHBondContact OE2-NZ 2.77Å; T235-K237 WeakPolarHBondContact O-CE 3.49Å; K237-I571 WeakPolarHBondContact O-CG2 3.36Å |
| 238 | I | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 136.8 | -177.9 | -54 | 175 | 0 | 0 | 0 | 108.7 | N226 I227 F240 R579 E582 F583 L586 | N226-I238 CarbonylContact C-O 3.56Å; N226-I238 WeakPolarHBondContact CA-O 3.45Å; I227-I238 HydrophobicContact CB-CB 4.24Å; I227-I238 HydrophobicContact CG1-CB 4.34Å; I227-I238 PolarHBondContact N-O 3.35Å; I238-F240 HydrophobicContact CG2-CE2 3.83Å; I238-F240 HydrophobicContact CG2-CZ 3.88Å; I238-R579 HydrophobicContact CG2-CB 3.82Å; I238-R579 HydrophobicContact CG2-CG 4.19Å; I238-R579 WeakPolarHBondContact CG2-O 3.36Å; I238-E582 HydrophobicContact CD1-CB 3.89Å; I238-F583 VanDerWaalsContact CD1-CA 3.43Å; I238-F583 HydrophobicContact CD1-CB 3.77Å; I238-F583 VanDerWaalsContact CD1-N 3.31Å; I238-L586 HydrophobicContact CD1-CD1 4.08Å |
| 239 | G | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L225 I571 R579 | L225-G239 WeakPolarHBondContact O-CA 3.4Å; G239-I571 PolarHBondContact N-O 3.43Å; G239-R579 WeakPolarHBondContact O-CD 3.37Å; G239-R579 PolarHBondContact O-NH1 3.45Å |
| 240 | F | 96.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 111.5 | 173.2 | -57.1 | -79.3 | 0 | 0 | 0 | 108.9 | G224 L225 I238 F267 T576 R579 I580 | G224-F240 WeakPolarHBondContact CA-O 3.18Å; L225-F240 HydrophobicContact CB-CB 4.49Å; L225-F240 PolarHBondContact N-O 3.13Å; L225-F240 PolarHBondContact O-N 3.07Å; I238-F240 HydrophobicContact CG2-CE2 3.83Å; I238-F240 HydrophobicContact CG2-CZ 3.88Å; F240-F267 HydrophobicContact CD2-CD1 4.49Å; F240-F267 HydrophobicContact CD2-CE1 4.36Å; F240-F267 HydrophobicContact CE2-CD1 4.33Å; F240-F267 HydrophobicContact CE2-CD2 4.35Å; F240-F267 HydrophobicContact CE2-CE1 4.21Å; F240-F267 HydrophobicContact CE2-CE2 4.21Å; F240-F267 HydrophobicContact CE2-CG 4.44Å; F240-F267 HydrophobicContact CE2-CZ 4.17Å; F240-F267 HydrophobicContact CZ-CD2 4.47Å; F240-T576 HydrophobicContact CD1-CG2 4Å; F240-T576 HydrophobicContact CE1-CG2 4Å; F240-R579 HydrophobicContact CE1-CB 3.66Å; F240-R579 HydrophobicContact CZ-CB 3.88Å; F240-I580 HydrophobicContact CE1-CG1 3.88Å; F240-I580 HydrophobicContact CZ-CG1 3.8Å |
| 241 | P | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 155.8 | 174.4 | 30.4 | -35.3 | 0 | 0 | 0 | 110.6 | S243 E244 | P241-S243 PolarHBondContact O-N 3.09Å; P241-E244 HydrophobicContact CG-CB 4.16Å; P241-E244 HydrophobicContact CG-CG 3.82Å; P241-E244 PolarHBondContact O-N 3.19Å |
| 242 | W | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -58.5 | -31.7 | 176.5 | -69.4 | 121.5 | 0 | 0 | 0 | 112.6 | V220 D221 G224 L225 E244 I245 I248 C284 N287 H288 Y291 | V220-W242 HydrophobicContact CG1-CH2 4.08Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; D221-W242 WeakPolarHBondContact O-CZ2 3.37Å; D221-W242 PolarHBondContact O-NE1 3.11Å; G224-W242 WeakPolarHBondContact O-CZ2 3.35Å; L225-W242 HydrophobicContact CD1-CH2 4.48Å; L225-W242 HydrophobicContact CD1-CZ3 4.36Å; L225-W242 HydrophobicContact CD2-CH2 3.49Å; L225-W242 VanDerWaalsContact CD2-CH2 3.49Å; L225-W242 HydrophobicContact CD2-CZ2 4.11Å; L225-W242 HydrophobicContact CD2-CZ3 4.16Å; L225-W242 HydrophobicContact CG-CH2 3.8Å; L225-W242 HydrophobicContact CG-CZ2 4.47Å; L225-W242 HydrophobicContact CG-CZ3 4.01Å; W242-E244 PolarHBondContact O-N 3.19Å; W242-E244 VanDerWaalsContact O-N 3.14Å; W242-I245 HydrophobicContact CE3-CD1 3.69Å; W242-I245 HydrophobicContact CZ3-CD1 3.83Å; W242-I245 PolarHBondContact O-N 2.95Å; W242-I245 VanDerWaalsContact O-N 3.09Å; W242-I248 HydrophobicContact CZ3-CD1 3.97Å; W242-C284 HydrophobicContact CH2-CB 3.58Å; W242-C284 HydrophobicContact CZ3-CB 3.87Å; W242-N287 HydrophobicContact CZ2-CB 3.68Å; W242-H288 HydrophobicContact CD2-CB 4.2Å; W242-H288 HydrophobicContact CE3-CB 3.98Å; W242-Y291 HydrophobicContact CB-CD1 3.44Å; W242-Y291 VanDerWaalsContact CB-CD1 3.44Å; W242-Y291 HydrophobicContact CB-CD2 3.79Å; W242-Y291 HydrophobicContact CB-CE1 3.67Å; W242-Y291 HydrophobicContact CB-CE2 3.99Å; W242-Y291 HydrophobicContact CB-CG 3.51Å; W242-Y291 AromaticContact CD1-CD2 3.6Å; W242-Y291 AromaticContact CD1-CG 3.76Å; W242-Y291 HydrophobicContact CG-CD1 4.36Å; W242-Y291 HydrophobicContact CG-CD2 4.1Å; W242-Y291 AromaticContact CG-CG 3.96Å; W242-Y291 HydrophobicContact CG-CG 3.96Å |
| 243 | S | 92.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -63.4 | -8.5 | 173.1 | 50.1 | 0 | 0 | 0 | 0 | 115.9 | P241 I260 Y291 | P241-S243 PolarHBondContact O-N 3.09Å; S243-I260 WeakPolarHBondContact O-CD1 3.48Å; S243-Y291 WeakPolarHBondContact CB-OH 3.14Å; S243-Y291 PolarHBondContact OG-OH 3.05Å |
| 244 | E | 93.7 | Very high | 95 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -99.5 | -2.7 | 172.9 | -77.9 | -179.9 | -158.3 | 0 | 0 | 113.6 | P241 W242 P259 I260 R512 T576 R579 | P241-E244 HydrophobicContact CG-CB 4.16Å; P241-E244 HydrophobicContact CG-CG 3.82Å; P241-E244 PolarHBondContact O-N 3.19Å; W242-E244 PolarHBondContact O-N 3.19Å; W242-E244 VanDerWaalsContact O-N 3.14Å; E244-P259 CarbonylContact O-C 3.51Å; E244-P259 VanDerWaalsContact O-CA 3.23Å; E244-P259 WeakPolarHBondContact O-CA 3.35Å; E244-I260 PolarHBondContact O-N 3.44Å; E244-R512 IonicContact OE1-NH1 2.74Å; E244-R512 IonicContact OE1-NH2 2.6Å; E244-T576 PolarHBondContact OE2-OG1 2.94Å; E244-R579 IonicContact OE1-CZ 4Å; E244-R579 IonicContact OE1-NH1 2.71Å; E244-R579 IonicContact OE1-NH2 3.29Å; E244-R579 PolarHBondContact OE1-NH2 3.09Å; E244-R579 IonicContact OE2-CZ 2.91Å; E244-R579 IonicContact OE2-NH1 2.71Å; E244-R579 PolarHBondContact OE2-NH1 2.78Å; E244-R579 IonicContact OE2-NH2 3.18Å; E244-R579 PolarHBondContact OE2-NH2 2.7Å; E244-R579 VanDerWaalsContact OE2-NH2 3.12Å |
| 245 | I | 93.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.3 | -169.3 | -63.2 | 167.8 | 0 | 0 | 0 | 111.4 | L225 W242 I248 I257 L503 | L225-I245 HydrophobicContact CD1-CD1 3.71Å; L225-I245 HydrophobicContact CG-CD1 4.06Å; W242-I245 HydrophobicContact CE3-CD1 3.69Å; W242-I245 HydrophobicContact CZ3-CD1 3.83Å; W242-I245 PolarHBondContact O-N 2.95Å; W242-I245 VanDerWaalsContact O-N 3.09Å; I245-I248 HydrophobicContact CG2-CD1 3.85Å; I245-I248 HydrophobicContact CG2-CG1 3.68Å; I245-I257 HydrophobicContact CD1-CG2 4.4Å; I245-I257 HydrophobicContact CG1-CG2 4.04Å; I245-I257 HydrophobicContact CG2-CG2 3.82Å; I245-L503 HydrophobicContact CG2-CD1 4.15Å |
| 246 | R | 91.4 | Very high | 95 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 32% | 0.317 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -43.8 | 178.7 | -179.8 | 180 | -77.2 | 115.6 | -0.7 | 113.5 | K258 P259 I260 | R246-K258 WeakPolarHBondContact CB-O 3.26Å; R246-K258 PolarHBondContact N-O 3.31Å; R246-P259 PolarHBondContact NH1-O 3.44Å; R246-I260 HydrophobicContact CB-CG1 3.97Å; R246-I260 PolarHBondContact NH1-O 2.9Å; R246-I260 PolarHBondContact NH2-O 2.81Å |
| 247 | N | 92.9 | Very high | 95 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 142.9 | -170.2 | -176 | -82.3 | 0 | 0 | 0 | 110.1 | I257 K258 | N247-I257 WeakPolarHBondContact O-CA 3.48Å; N247-K258 HydrophobicContact CB-CB 4.13Å; N247-K258 HydrophobicContact CB-CD 4.37Å; N247-K258 HydrophobicContact CB-CG 4.32Å; N247-K258 PolarHBondContact N-O 2.89Å; N247-K258 PolarHBondContact O-N 2.86Å |
| 248 | I | 95.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.8 | -178.3 | -55.4 | -177.3 | 0 | 0 | 0 | 108.5 | W242 I245 F255 I257 L281 C284 L503 | W242-I248 HydrophobicContact CZ3-CD1 3.97Å; I245-I248 HydrophobicContact CG2-CD1 3.85Å; I245-I248 HydrophobicContact CG2-CG1 3.68Å; I248-F255 HydrophobicContact CG2-CD1 4.41Å; I248-F255 HydrophobicContact CG2-CE1 3.3Å; I248-F255 HydrophobicContact CG2-CE2 4.47Å; I248-F255 HydrophobicContact CG2-CZ 3.33Å; I248-I257 HydrophobicContact CG1-CG1 4.23Å; I248-I257 HydrophobicContact CG2-CG1 4.1Å; I248-L281 HydrophobicContact CB-CD1 4.03Å; I248-L281 HydrophobicContact CG2-CD1 3.71Å; I248-L281 WeakPolarHBondContact O-CD1 3.41Å; I248-C284 HydrophobicContact CD1-CB 3.45Å; I248-C284 VanDerWaalsContact CD1-CB 3.45Å; I248-L503 HydrophobicContact CD1-CD1 3.63Å; I248-L503 HydrophobicContact CG1-CD1 3.68Å |
| 249 | S | 94.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 31% | 0.308 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 166.5 | -177.3 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | V256 | S249-V256 PolarHBondContact N-O 3Å; S249-V256 PolarHBondContact O-N 2.96Å; S249-V256 VanDerWaalsContact O-O 3.12Å; S249-V256 PolarHBondContact OG-O 3.41Å |
| 250 | F | 94.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156 | 171.1 | 65 | -101.6 | 0 | 0 | 0 | 111.2 | K254 F255 L274 N277 K278 L281 | F250-K254 CarbonylContact C-O 3.54Å; F250-K254 VanDerWaalsContact CA-O 3.23Å; F250-K254 WeakPolarHBondContact CA-O 3.19Å; F250-K254 WeakPolarHBondContact CB-O 3.17Å; F250-F255 HydrophobicContact CB-CD2 3.63Å; F250-F255 HydrophobicContact CB-CE2 4.18Å; F250-F255 HydrophobicContact CB-CG 4.3Å; F250-F255 HydrophobicContact CD1-CD2 4.25Å; F250-F255 AromaticContact CD1-CE2 3.98Å; F250-F255 HydrophobicContact CD1-CE2 3.98Å; F250-F255 HydrophobicContact CG-CD2 4.33Å; F250-L274 HydrophobicContact CD2-CD1 4.04Å; F250-L274 HydrophobicContact CE2-CD1 3.53Å; F250-L274 HydrophobicContact CZ-CD1 4.47Å; F250-N277 HydrophobicContact CB-CB 4.05Å; F250-N277 HydrophobicContact CD1-CB 3.88Å; F250-N277 HydrophobicContact CD2-CB 3.92Å; F250-N277 HydrophobicContact CE1-CB 4.33Å; F250-N277 HydrophobicContact CE2-CB 4.42Å; F250-N277 HydrophobicContact CG-CB 3.67Å; F250-K278 HydrophobicContact CE1-CG 4.18Å; F250-K278 HydrophobicContact CE2-CG 4.23Å; F250-K278 HydrophobicContact CZ-CB 4.48Å; F250-K278 HydrophobicContact CZ-CG 3.5Å; F250-L281 HydrophobicContact CD1-CB 4.09Å; F250-L281 HydrophobicContact CD1-CD2 4.05Å; F250-L281 HydrophobicContact CE1-CB 3.9Å; F250-L281 HydrophobicContact CE1-CD2 3.56Å; F250-L281 HydrophobicContact CE1-CG 4.35Å |
| 251 | N | 92.6 | Very high | 94.2 | Very high | 135 Ų | 135 | 43.4 Ų | 43.4 | 72% | 0.722 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 121.6 | 168.1 | -170.9 | 8 | 0 | 0 | 0 | 109.3 | K253 K254 | N251-K253 PolarHBondContact O-N 3.21Å; N251-K254 PolarHBondContact N-O 3.4Å; N251-K254 PolarHBondContact O-N 3.42Å |
| 252 | D | 92 | Very high | 93.9 | Very high | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.7 | -107.7 | -165 | -179 | 44.4 | 0 | 0 | 0 | 113 | N277 | D252-N277 PolarHBondContact O-ND2 2.84Š|
| 253 | K | 94.5 | Very high | 93.7 | Very high | 106 Ų | 106 | 60.7 Ų | 60.7 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -25.5 | 178.8 | -71.2 | 171.3 | -174.9 | 175.5 | 0 | 113.9 | N251 F255 Y270 A271 N277 | N251-K253 PolarHBondContact O-N 3.21Å; K253-F255 PolarHBondContact O-N 2.94Å; K253-Y270 WeakPolarHBondContact O-CA 3.35Å; K253-A271 WeakPolarHBondContact CB-O 3.48Å; K253-A271 WeakPolarHBondContact CG-O 3.4Å; K253-A271 PolarHBondContact O-N 3.28Å; K253-N277 WeakPolarHBondContact CA-ND2 3.28Å; K253-N277 PolarHBondContact O-ND2 2.95Å |
| 254 | K | 95.9 | Very high | 93.8 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 39% | 0.391 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.1 | -177.2 | -173.1 | -174.2 | -177.5 | -173.8 | 0 | 110.2 | F250 N251 V256 V268 Y270 | F250-K254 CarbonylContact C-O 3.54Å; F250-K254 VanDerWaalsContact CA-O 3.23Å; F250-K254 WeakPolarHBondContact CA-O 3.19Å; F250-K254 WeakPolarHBondContact CB-O 3.17Å; N251-K254 PolarHBondContact N-O 3.4Å; N251-K254 PolarHBondContact O-N 3.42Å; K254-V256 HydrophobicContact CD-CG2 4.23Å; K254-V256 HydrophobicContact CG-CG2 4.14Å; K254-V268 HydrophobicContact CD-CG1 4.35Å; K254-V268 VanDerWaalsContact CE-CG1 3.45Å; K254-V268 HydrophobicContact CG-CG1 3.98Å; K254-Y270 HydrophobicContact CB-CD1 4.06Å; K254-Y270 HydrophobicContact CB-CE1 3.83Å; K254-Y270 HydrophobicContact CD-CE1 4.38Å; K254-Y270 HydrophobicContact CG-CD1 4.35Å; K254-Y270 HydrophobicContact CG-CE1 3.8Å |
| 255 | F | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.6 | 171.3 | -152.6 | -93.6 | 0 | 0 | 0 | 109.3 | I248 F250 K253 I257 V268 F269 N277 I280 L281 | I248-F255 HydrophobicContact CG2-CD1 4.41Å; I248-F255 HydrophobicContact CG2-CE1 3.3Å; I248-F255 HydrophobicContact CG2-CE2 4.47Å; I248-F255 HydrophobicContact CG2-CZ 3.33Å; F250-F255 HydrophobicContact CB-CD2 3.63Å; F250-F255 HydrophobicContact CB-CE2 4.18Å; F250-F255 HydrophobicContact CB-CG 4.3Å; F250-F255 HydrophobicContact CD1-CD2 4.25Å; F250-F255 AromaticContact CD1-CE2 3.98Å; F250-F255 HydrophobicContact CD1-CE2 3.98Å; F250-F255 HydrophobicContact CG-CD2 4.33Å; K253-F255 PolarHBondContact O-N 2.94Å; F255-I257 HydrophobicContact CD1-CD1 3.93Å; F255-I257 HydrophobicContact CD1-CG1 3.91Å; F255-I257 HydrophobicContact CE1-CD1 3.81Å; F255-I257 HydrophobicContact CE1-CG1 3.73Å; F255-V268 WeakPolarHBondContact O-CA 3.46Å; F255-F269 HydrophobicContact CB-CD1 4.28Å; F255-F269 HydrophobicContact CB-CD2 3.75Å; F255-F269 HydrophobicContact CB-CE1 3.95Å; F255-F269 HydrophobicContact CB-CE2 3.35Å; F255-F269 HydrophobicContact CB-CG 4.19Å; F255-F269 HydrophobicContact CB-CZ 3.46Å; F255-F269 VanDerWaalsContact CB-CZ 3.46Å; F255-F269 HydrophobicContact CD1-CD1 4.35Å; F255-F269 AromaticContact CD1-CE1 3.39Å; F255-F269 HydrophobicContact CD1-CE1 3.39Å; F255-F269 HydrophobicContact CD1-CE2 4.01Å; F255-F269 AromaticContact CD1-CZ 3.17Å; F255-F269 HydrophobicContact CD1-CZ 3.17Å; F255-F269 HydrophobicContact CD2-CE2 4.28Å; F255-F269 HydrophobicContact CD2-CZ 4.07Å; F255-F269 HydrophobicContact CE1-CE1 4.1Å; F255-F269 AromaticContact CE1-CZ 3.81Å; F255-F269 HydrophobicContact CE1-CZ 3.81Å; F255-F269 HydrophobicContact CG-CD2 4.49Å; F255-F269 AromaticContact CG-CE1 3.91Å; F255-F269 HydrophobicContact CG-CE1 3.91Å; F255-F269 AromaticContact CG-CE2 3.66Å; F255-F269 HydrophobicContact CG-CE2 3.66Å; F255-F269 AromaticContact CG-CZ 3.31Å; F255-F269 HydrophobicContact CG-CZ 3.31Å; F255-F269 PolarHBondContact N-O 3.26Å; F255-F269 PolarHBondContact O-N 3.13Å; F255-N277 HydrophobicContact CD2-CB 4.04Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.25Å; F255-N277 HydrophobicContact CE2-CB 4.43Å; F255-I280 HydrophobicContact CD2-CG2 4.49Å; F255-I280 HydrophobicContact CE1-CG2 3.99Å; F255-I280 HydrophobicContact CE2-CB 3.93Å; F255-I280 HydrophobicContact CE2-CG2 3.72Å; F255-I280 HydrophobicContact CZ-CB 4.12Å; F255-I280 HydrophobicContact CZ-CG2 3.42Å; F255-I280 VanDerWaalsContact CZ-CG2 3.42Å; F255-L281 HydrophobicContact CE2-CB 4.29Å; F255-L281 HydrophobicContact CZ-CB 4.42Å |
| 256 | V | 97.1 | Very high | 94 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 117.7 | -175.6 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | S249 K254 K258 D266 V268 | S249-V256 PolarHBondContact N-O 3Å; S249-V256 PolarHBondContact O-N 2.96Å; S249-V256 VanDerWaalsContact O-O 3.12Å; S249-V256 PolarHBondContact OG-O 3.41Å; K254-V256 HydrophobicContact CD-CG2 4.23Å; K254-V256 HydrophobicContact CG-CG2 4.14Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; V256-D266 HydrophobicContact CG1-CB 3.99Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.49Å; V256-V268 HydrophobicContact CG1-CG2 4.31Å; V256-V268 HydrophobicContact CG2-CG2 4.29Å |
| 257 | I | 96.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122 | 175.4 | -68.6 | 154.8 | 0 | 0 | 0 | 107.5 | L225 I245 N247 I248 F255 F267 F269 | L225-I257 HydrophobicContact CD1-CD1 3.46Å; L225-I257 VanDerWaalsContact CD1-CD1 3.46Å; L225-I257 HydrophobicContact CD1-CG1 4.5Å; I245-I257 HydrophobicContact CD1-CG2 4.4Å; I245-I257 HydrophobicContact CG1-CG2 4.04Å; I245-I257 HydrophobicContact CG2-CG2 3.82Å; N247-I257 WeakPolarHBondContact O-CA 3.48Å; I248-I257 HydrophobicContact CG1-CG1 4.23Å; I248-I257 HydrophobicContact CG2-CG1 4.1Å; F255-I257 HydrophobicContact CD1-CD1 3.93Å; F255-I257 HydrophobicContact CD1-CG1 3.91Å; F255-I257 HydrophobicContact CE1-CD1 3.81Å; F255-I257 HydrophobicContact CE1-CG1 3.73Å; I257-F267 HydrophobicContact CB-CB 4.2Å; I257-F267 HydrophobicContact CB-CD1 3.98Å; I257-F267 HydrophobicContact CD1-CD1 3.52Å; I257-F267 HydrophobicContact CD1-CE1 3.74Å; I257-F267 HydrophobicContact CG1-CD1 4.35Å; I257-F267 HydrophobicContact CG2-CD1 4.35Å; I257-F267 PolarHBondContact N-O 3.4Å; I257-F267 PolarHBondContact O-N 3.16Å; I257-F269 HydrophobicContact CD1-CE1 3.82Å |
| 258 | K | 95.3 | Very high | 94.5 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.3 | 178.6 | -53.3 | -167.3 | 161.3 | -81.4 | 0 | 109.1 | R246 N247 V256 D266 | R246-K258 WeakPolarHBondContact CB-O 3.26Å; R246-K258 PolarHBondContact N-O 3.31Å; N247-K258 HydrophobicContact CB-CB 4.13Å; N247-K258 HydrophobicContact CB-CD 4.37Å; N247-K258 HydrophobicContact CB-CG 4.32Å; N247-K258 PolarHBondContact N-O 2.89Å; N247-K258 PolarHBondContact O-N 2.86Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; K258-D266 WeakPolarHBondContact CG-OD1 3.43Å; K258-D266 IonicContact NZ-OD1 2.78Å; K258-D266 PolarHBondContact NZ-OD1 2.88Å; K258-D266 IonicContact NZ-OD2 3.4Å; K258-D266 PolarHBondContact NZ-OD2 2.87Å |
| 259 | P | 94.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 165.4 | 177.6 | 27.4 | -33.2 | 0 | 0 | 0 | 112.6 | E244 R246 A264 P265 T576 | E244-P259 CarbonylContact O-C 3.51Å; E244-P259 VanDerWaalsContact O-CA 3.23Å; E244-P259 WeakPolarHBondContact O-CA 3.35Å; R246-P259 PolarHBondContact NH1-O 3.44Å; P259-A264 HydrophobicContact CB-CB 4.29Å; P259-A264 HydrophobicContact CG-CB 3.69Å; P259-P265 WeakPolarHBondContact CD-O 3.19Å; P259-P265 WeakPolarHBondContact CG-O 3.18Å; P259-T576 HydrophobicContact CB-CG2 3.86Å |
| 260 | I | 91.2 | Very high | 94.9 | Very high | 50 Ų | 50 | 61 Ų | 61 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -70.9 | -39 | 170.1 | -65.2 | -171.2 | 0 | 0 | 0 | 110.5 | S243 E244 R246 K262 | S243-I260 WeakPolarHBondContact O-CD1 3.48Å; E244-I260 PolarHBondContact O-N 3.44Å; R246-I260 HydrophobicContact CB-CG1 3.97Å; R246-I260 PolarHBondContact NH1-O 2.9Å; R246-I260 PolarHBondContact NH2-O 2.81Å; I260-K262 PolarHBondContact O-N 3.26Å |
| 261 | D | 90.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -64.5 | 117.3 | 170.2 | 179.9 | 17.4 | 0 | 0 | 0 | 110.6 | K263 A264 | D261-K263 PolarHBondContact O-N 3.49Å; D261-K263 WeakPolarHBondContact OD1-CB 3.46Å; D261-K263 PolarHBondContact OD1-N 3.28Å; D261-A264 HydrophobicContact CB-CB 4.14Å; D261-A264 PolarHBondContact O-N 3.12Å; D261-A264 PolarHBondContact OD2-N 2.65Å |
| 262 | K | 90 | Very high | 94.9 | Very high | 179 Ų | 179 | 55.1 Ų | 55.1 | 78% | 0.778 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9 | 177.9 | -64.2 | -178.4 | 179.7 | 178.8 | 0 | 113.2 | I260 | I260-K262 PolarHBondContact O-N 3.26Š|
| 263 | K | 91.3 | Very high | 94.8 | Very high | 184 Ų | 184 | 58.1 Ų | 58.1 | 80% | 0.8 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -20.7 | 175.4 | -57.4 | 175 | -178.3 | 176 | 0 | 112.7 | D261 | D261-K263 PolarHBondContact O-N 3.49Å; D261-K263 WeakPolarHBondContact OD1-CB 3.46Å; D261-K263 PolarHBondContact OD1-N 3.28Å |
| 264 | A | 93.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -76.5 | 144.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P259 D261 T576 K577 | P259-A264 HydrophobicContact CB-CB 4.29Å; P259-A264 HydrophobicContact CG-CB 3.69Å; D261-A264 HydrophobicContact CB-CB 4.14Å; D261-A264 PolarHBondContact O-N 3.12Å; D261-A264 PolarHBondContact OD2-N 2.65Å; A264-T576 HydrophobicContact CB-CG2 4.44Å; A264-K577 HydrophobicContact CB-CB 4.19Å |
| 265 | P | 95.6 | Very high | 94.2 | Very high | 52 Ų | 52 | 56 Ų | 56 | 34% | 0.338 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 161.9 | 175.8 | 29.1 | -34.9 | 0 | 0 | 0 | 111.7 | P259 F267 K577 I580 | P259-P265 WeakPolarHBondContact CD-O 3.19Å; P259-P265 WeakPolarHBondContact CG-O 3.18Å; P265-F267 PolarHBondContact O-N 2.88Å; P265-K577 HydrophobicContact CG-CG 4.39Å; P265-I580 HydrophobicContact CG-CB 4.23Å; P265-I580 HydrophobicContact CG-CD1 4.15Å; P265-I580 HydrophobicContact CG-CG2 3.9Å; P265-I580 VanDerWaalsContact O-CD1 3.24Å; P265-I580 WeakPolarHBondContact O-CD1 3.18Å |
| 266 | D | 96.8 | Very high | 93.9 | Very high | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 127.8 | 166.7 | -78.6 | -4.3 | 0 | 0 | 0 | 109.5 | V256 K258 V268 | V256-D266 HydrophobicContact CG1-CB 3.99Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.49Å; K258-D266 WeakPolarHBondContact CG-OD1 3.43Å; K258-D266 IonicContact NZ-OD1 2.78Å; K258-D266 PolarHBondContact NZ-OD1 2.88Å; K258-D266 IonicContact NZ-OD2 3.4Å; K258-D266 PolarHBondContact NZ-OD2 2.87Å; D266-V268 HydrophobicContact CB-CG2 4.07Å |
| 267 | F | 97.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123 | 169.4 | 174.1 | -130.1 | 0 | 0 | 0 | 108.9 | I227 F240 I257 P265 F269 I580 F583 | I227-F267 HydrophobicContact CD1-CZ 3.8Å; I227-F267 HydrophobicContact CG1-CZ 4.4Å; F240-F267 HydrophobicContact CD2-CD1 4.49Å; F240-F267 HydrophobicContact CD2-CE1 4.36Å; F240-F267 HydrophobicContact CE2-CD1 4.33Å; F240-F267 HydrophobicContact CE2-CD2 4.35Å; F240-F267 HydrophobicContact CE2-CE1 4.21Å; F240-F267 HydrophobicContact CE2-CE2 4.21Å; F240-F267 HydrophobicContact CE2-CG 4.44Å; F240-F267 HydrophobicContact CE2-CZ 4.17Å; F240-F267 HydrophobicContact CZ-CD2 4.47Å; I257-F267 HydrophobicContact CB-CB 4.2Å; I257-F267 HydrophobicContact CB-CD1 3.98Å; I257-F267 HydrophobicContact CD1-CD1 3.52Å; I257-F267 HydrophobicContact CD1-CE1 3.74Å; I257-F267 HydrophobicContact CG1-CD1 4.35Å; I257-F267 HydrophobicContact CG2-CD1 4.35Å; I257-F267 PolarHBondContact N-O 3.4Å; I257-F267 PolarHBondContact O-N 3.16Å; P265-F267 PolarHBondContact O-N 2.88Å; F267-F269 AromaticContact CE1-CD1 3.93Å; F267-F269 HydrophobicContact CE1-CD1 3.93Å; F267-F269 HydrophobicContact CE1-CE1 4.19Å; F267-F269 AromaticContact CZ-CD1 3.92Å; F267-F269 HydrophobicContact CZ-CD1 3.92Å; F267-I580 HydrophobicContact CB-CD1 3.81Å; F267-I580 HydrophobicContact CB-CG1 3.98Å; F267-I580 HydrophobicContact CD2-CG1 4.22Å; F267-I580 HydrophobicContact CG-CG1 4.41Å; F267-F583 HydrophobicContact CD2-CD1 4.13Å; F267-F583 HydrophobicContact CD2-CE1 4.38Å; F267-F583 HydrophobicContact CD2-CG 4.43Å; F267-F583 HydrophobicContact CE2-CB 4.37Å; F267-F583 AromaticContact CE2-CD1 3.57Å; F267-F583 HydrophobicContact CE2-CD1 3.57Å; F267-F583 AromaticContact CE2-CD2 3.84Å; F267-F583 HydrophobicContact CE2-CD2 3.84Å; F267-F583 AromaticContact CE2-CE1 3.66Å; F267-F583 HydrophobicContact CE2-CE1 3.66Å; F267-F583 AromaticContact CE2-CE2 3.93Å; F267-F583 HydrophobicContact CE2-CE2 3.93Å; F267-F583 AromaticContact CE2-CG 3.65Å; F267-F583 HydrophobicContact CE2-CG 3.65Å; F267-F583 AromaticContact CE2-CZ 3.85Å; F267-F583 HydrophobicContact CE2-CZ 3.85Å; F267-F583 HydrophobicContact CZ-CD2 4.34Å; F267-F583 HydrophobicContact CZ-CE2 4.2Å; F267-F583 HydrophobicContact CZ-CZ 4.3Å |
| 268 | V | 97.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.6 | -168 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | K254 F255 V256 D266 Y270 F583 | K254-V268 HydrophobicContact CD-CG1 4.35Å; K254-V268 VanDerWaalsContact CE-CG1 3.45Å; K254-V268 HydrophobicContact CG-CG1 3.98Å; F255-V268 WeakPolarHBondContact O-CA 3.46Å; V256-V268 HydrophobicContact CG1-CG2 4.31Å; V256-V268 HydrophobicContact CG2-CG2 4.29Å; D266-V268 HydrophobicContact CB-CG2 4.07Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å; V268-F583 WeakPolarHBondContact O-CE1 3.35Å |
| 269 | F | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 171 | 172.3 | 65.7 | -101.4 | 0 | 0 | 0 | 111.1 | I208 K209 L218 F255 I257 F267 I280 F583 | I208-F269 HydrophobicContact CB-CB 4.39Å; I208-F269 HydrophobicContact CB-CD2 3.8Å; I208-F269 HydrophobicContact CB-CE2 4.44Å; I208-F269 HydrophobicContact CB-CG 4.3Å; I208-F269 HydrophobicContact CD1-CB 3.93Å; I208-F269 HydrophobicContact CD1-CD1 4.41Å; I208-F269 HydrophobicContact CD1-CD2 4.28Å; I208-F269 HydrophobicContact CD1-CG 3.97Å; I208-F269 HydrophobicContact CG2-CD2 3.41Å; I208-F269 VanDerWaalsContact CG2-CD2 3.41Å; I208-F269 HydrophobicContact CG2-CE2 3.56Å; I208-F269 HydrophobicContact CG2-CG 4.23Å; I208-F269 HydrophobicContact CG2-CZ 4.44Å; K209-F269 CarbonylContact O-C 3.53Å; K209-F269 WeakPolarHBondContact O-CA 3.45Å; K209-F269 WeakPolarHBondContact O-CB 3.38Å; L218-F269 HydrophobicContact CD2-CE1 3.85Å; L218-F269 HydrophobicContact CD2-CE2 4.17Å; L218-F269 HydrophobicContact CD2-CZ 3.48Å; L218-F269 VanDerWaalsContact CD2-CZ 3.48Å; F255-F269 HydrophobicContact CB-CD1 4.28Å; F255-F269 HydrophobicContact CB-CD2 3.75Å; F255-F269 HydrophobicContact CB-CE1 3.95Å; F255-F269 HydrophobicContact CB-CE2 3.35Å; F255-F269 HydrophobicContact CB-CG 4.19Å; F255-F269 HydrophobicContact CB-CZ 3.46Å; F255-F269 VanDerWaalsContact CB-CZ 3.46Å; F255-F269 HydrophobicContact CD1-CD1 4.35Å; F255-F269 AromaticContact CD1-CE1 3.39Å; F255-F269 HydrophobicContact CD1-CE1 3.39Å; F255-F269 HydrophobicContact CD1-CE2 4.01Å; F255-F269 AromaticContact CD1-CZ 3.17Å; F255-F269 HydrophobicContact CD1-CZ 3.17Å; F255-F269 HydrophobicContact CD2-CE2 4.28Å; F255-F269 HydrophobicContact CD2-CZ 4.07Å; F255-F269 HydrophobicContact CE1-CE1 4.1Å; F255-F269 AromaticContact CE1-CZ 3.81Å; F255-F269 HydrophobicContact CE1-CZ 3.81Å; F255-F269 HydrophobicContact CG-CD2 4.49Å; F255-F269 AromaticContact CG-CE1 3.91Å; F255-F269 HydrophobicContact CG-CE1 3.91Å; F255-F269 AromaticContact CG-CE2 3.66Å; F255-F269 HydrophobicContact CG-CE2 3.66Å; F255-F269 AromaticContact CG-CZ 3.31Å; F255-F269 HydrophobicContact CG-CZ 3.31Å; F255-F269 PolarHBondContact N-O 3.26Å; F255-F269 PolarHBondContact O-N 3.13Å; I257-F269 HydrophobicContact CD1-CE1 3.82Å; F267-F269 AromaticContact CE1-CD1 3.93Å; F267-F269 HydrophobicContact CE1-CD1 3.93Å; F267-F269 HydrophobicContact CE1-CE1 4.19Å; F267-F269 AromaticContact CZ-CD1 3.92Å; F267-F269 HydrophobicContact CZ-CD1 3.92Å; F269-I280 HydrophobicContact CE2-CD1 4.02Å; F269-I280 HydrophobicContact CZ-CD1 4.23Å; F269-I280 HydrophobicContact CZ-CG2 4.39Å; F269-F583 HydrophobicContact CB-CE1 4.46Å; F269-F583 HydrophobicContact CB-CZ 3.9Å |
| 270 | Y | 98 | Very high | 93.4 | Very high | 88 Ų | 88 | 63 Ų | 63 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120 | -178.3 | -58.7 | -92.5 | 0 | 0 | 0 | 110.3 | I208 K209 K211 K253 K254 V268 | I208-Y270 CarbonylContact C-O 3.51Å; I208-Y270 WeakPolarHBondContact CA-O 3.35Å; K209-Y270 PolarHBondContact N-O 3.12Å; K209-Y270 PolarHBondContact O-N 3.24Å; K211-Y270 HydrophobicContact CG-CE2 4.27Å; K253-Y270 WeakPolarHBondContact O-CA 3.35Å; K254-Y270 HydrophobicContact CB-CD1 4.06Å; K254-Y270 HydrophobicContact CB-CE1 3.83Å; K254-Y270 HydrophobicContact CD-CE1 4.38Å; K254-Y270 HydrophobicContact CG-CD1 4.35Å; K254-Y270 HydrophobicContact CG-CE1 3.8Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å |
| 271 | A | 96.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | trans | -94 | 148.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K253 R273 I276 N277 | K253-A271 WeakPolarHBondContact CB-O 3.48Å; K253-A271 WeakPolarHBondContact CG-O 3.4Å; K253-A271 PolarHBondContact O-N 3.28Å; A271-R273 VanDerWaalsContact C-N 3.25Å; A271-R273 PolarHBondContact O-N 2.91Å; A271-R273 VanDerWaalsContact O-N 3.17Å; A271-I276 HydrophobicContact CB-CB 4.27Å; A271-I276 HydrophobicContact CB-CG2 3.97Å; A271-N277 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 272 | P | 92.7 | Very high | 93.6 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.5 | -17.2 | -172.1 | 23.6 | -31.7 | 0 | 0 | 0 | 114.6 | E207 I276 | E207-P272 VanDerWaalsContact O-CD 3.27Å; E207-P272 WeakPolarHBondContact O-CD 3.25Å; P272-I276 HydrophobicContact CG-CD1 3.83Å |
| 273 | R | 89.9 | Confident | 93.8 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 56% | 0.558 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -144.5 | 135.9 | -176.1 | -54.7 | -178.9 | -175.4 | 176.8 | 2.4 | 112.1 | A271 R275 I276 N277 | A271-R273 VanDerWaalsContact C-N 3.25Å; A271-R273 PolarHBondContact O-N 2.91Å; A271-R273 VanDerWaalsContact O-N 3.17Å; R273-R275 PolarHBondContact O-N 3.02Å; R273-I276 HydrophobicContact CB-CD1 4.04Å; R273-I276 HydrophobicContact CB-CG1 4.31Å; R273-I276 HydrophobicContact CG-CD1 4.32Å; R273-I276 WeakPolarHBondContact O-CB 3.42Å; R273-I276 PolarHBondContact O-N 2.96Å; R273-N277 PolarHBondContact O-N 3.45Å |
| 274 | L | 89 | Confident | 94.1 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -48 | -34 | 172.8 | 173.6 | 62.6 | 0 | 0 | 0 | 114.4 | F250 I276 N277 K278 | F250-L274 HydrophobicContact CD2-CD1 4.04Å; F250-L274 HydrophobicContact CE2-CD1 3.53Å; F250-L274 HydrophobicContact CZ-CD1 4.47Å; L274-I276 VanDerWaalsContact C-N 3.3Å; L274-I276 PolarHBondContact O-N 2.91Å; L274-N277 PolarHBondContact O-N 3.43Å; L274-K278 PolarHBondContact O-N 2.87Å; L274-K278 VanDerWaalsContact O-N 3.09Å |
| 275 | R | 87.3 | Confident | 94 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 175.2 | -170.3 | -163.1 | -171.1 | 106.3 | 16.4 | 112.3 | D51 T57 R273 K278 R279 | D51-R275 IonicContact OD2-CZ 3.73Å; D51-R275 IonicContact OD2-NH1 2.65Å; D51-R275 PolarHBondContact OD2-NH1 3.44Å; D51-R275 IonicContact OD2-NH2 2.98Å; D51-R275 PolarHBondContact OD2-NH2 2.8Å; T57-R275 PolarHBondContact OG1-NH2 3.45Å; R273-R275 PolarHBondContact O-N 3.02Å; R275-K278 PolarHBondContact O-N 3.41Å; R275-R279 PolarHBondContact O-N 2.76Å |
| 276 | I | 91.3 | Very high | 93.9 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.3 | -46.8 | -178.7 | -64.6 | 166 | 0 | 0 | 0 | 108.9 | F206 A271 P272 R273 L274 K278 R279 I280 | F206-I276 HydrophobicContact CB-CG2 4.4Å; F206-I276 HydrophobicContact CD1-CG2 3.78Å; F206-I276 HydrophobicContact CG-CG2 4.37Å; A271-I276 HydrophobicContact CB-CB 4.27Å; A271-I276 HydrophobicContact CB-CG2 3.97Å; P272-I276 HydrophobicContact CG-CD1 3.83Å; R273-I276 HydrophobicContact CB-CD1 4.04Å; R273-I276 HydrophobicContact CB-CG1 4.31Å; R273-I276 HydrophobicContact CG-CD1 4.32Å; R273-I276 WeakPolarHBondContact O-CB 3.42Å; R273-I276 PolarHBondContact O-N 2.96Å; L274-I276 VanDerWaalsContact C-N 3.3Å; L274-I276 PolarHBondContact O-N 2.91Å; I276-K278 VanDerWaalsContact C-N 3.27Å; I276-K278 PolarHBondContact O-N 3.05Å; I276-R279 CarbonylContact O-C 3.52Å; I276-R279 WeakPolarHBondContact O-CA 3.25Å; I276-R279 PolarHBondContact O-N 3.44Å; I276-I280 HydrophobicContact CG2-CD1 3.74Å; I276-I280 HydrophobicContact CG2-CG1 4.16Å; I276-I280 WeakPolarHBondContact O-CG1 3.2Å; I276-I280 PolarHBondContact O-N 3.47Å |
| 277 | N | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.2 | -39 | 173.2 | -74.8 | -18.1 | 0 | 0 | 0 | 112.9 | F250 D252 K253 F255 A271 R273 L274 R279 I280 L281 | F250-N277 HydrophobicContact CB-CB 4.05Å; F250-N277 HydrophobicContact CD1-CB 3.88Å; F250-N277 HydrophobicContact CD2-CB 3.92Å; F250-N277 HydrophobicContact CE1-CB 4.33Å; F250-N277 HydrophobicContact CE2-CB 4.42Å; F250-N277 HydrophobicContact CG-CB 3.67Å; D252-N277 PolarHBondContact O-ND2 2.84Å; K253-N277 WeakPolarHBondContact CA-ND2 3.28Å; K253-N277 PolarHBondContact O-ND2 2.95Å; F255-N277 HydrophobicContact CD2-CB 4.04Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.25Å; F255-N277 HydrophobicContact CE2-CB 4.43Å; A271-N277 WeakPolarHBondContact CB-OD1 3.44Å; R273-N277 PolarHBondContact O-N 3.45Å; L274-N277 PolarHBondContact O-N 3.43Å; N277-R279 PolarHBondContact O-N 2.96Å; N277-I280 PolarHBondContact O-N 3.17Å; N277-L281 WeakPolarHBondContact O-CB 3.43Å; N277-L281 PolarHBondContact O-N 3.42Å |
| 278 | K | 91.9 | Very high | 93.7 | Very high | 112 Ų | 112 | 41.1 Ų | 41.1 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.7 | -35 | 171.8 | -75 | 175.1 | 179 | 177.8 | 0 | 113.6 | F250 L274 R275 I276 Q282 | F250-K278 HydrophobicContact CE1-CG 4.18Å; F250-K278 HydrophobicContact CE2-CG 4.23Å; F250-K278 HydrophobicContact CZ-CB 4.48Å; F250-K278 HydrophobicContact CZ-CG 3.5Å; L274-K278 PolarHBondContact O-N 2.87Å; L274-K278 VanDerWaalsContact O-N 3.09Å; R275-K278 PolarHBondContact O-N 3.41Å; I276-K278 VanDerWaalsContact C-N 3.27Å; I276-K278 PolarHBondContact O-N 3.05Å; K278-Q282 WeakPolarHBondContact O-CB 3.24Å; K278-Q282 WeakPolarHBondContact O-CG 3.4Å; K278-Q282 PolarHBondContact O-N 2.68Å |
| 279 | R | 92 | Very high | 93.4 | Very high | 102 Ų | 102 | 46.4 Ų | 46.4 | 39% | 0.385 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.5 | -43.7 | 174.2 | 177.7 | 172.8 | 165 | -163.4 | -5.7 | 111.7 | N204 F206 R275 I276 N277 Q282 L283 | N204-R279 PolarHBondContact OD1-NH2 2.91Å; F206-R279 HydrophobicContact CE1-CB 4.48Å; F206-R279 HydrophobicContact CE1-CG 3.93Å; F206-R279 HydrophobicContact CZ-CG 3.87Å; R275-R279 PolarHBondContact O-N 2.76Å; I276-R279 CarbonylContact O-C 3.52Å; I276-R279 WeakPolarHBondContact O-CA 3.25Å; I276-R279 PolarHBondContact O-N 3.44Å; N277-R279 PolarHBondContact O-N 2.96Å; R279-Q282 PolarHBondContact O-N 3.28Å; R279-L283 HydrophobicContact CG-CD1 3.89Å; R279-L283 WeakPolarHBondContact O-CG 3.2Å; R279-L283 PolarHBondContact O-N 2.85Å; R279-L283 VanDerWaalsContact O-N 3.11Å |
| 280 | I | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.8 | -55.5 | 177.1 | -64.6 | 169.6 | 0 | 0 | 0 | 109.3 | F206 L218 V220 F255 F269 I276 N277 Q282 L283 C284 | F206-I280 HydrophobicContact CB-CD1 4.03Å; F206-I280 HydrophobicContact CB-CG1 4.31Å; F206-I280 HydrophobicContact CD1-CD1 4.42Å; F206-I280 HydrophobicContact CD1-CG1 3.98Å; F206-I280 HydrophobicContact CD2-CD1 4.26Å; F206-I280 HydrophobicContact CD2-CG1 3.66Å; F206-I280 HydrophobicContact CE1-CG1 4.25Å; F206-I280 HydrophobicContact CE2-CG1 3.92Å; F206-I280 HydrophobicContact CG-CD1 3.96Å; F206-I280 HydrophobicContact CG-CG1 3.68Å; F206-I280 HydrophobicContact CZ-CG1 4.23Å; L218-I280 HydrophobicContact CD2-CD1 4.15Å; L218-I280 HydrophobicContact CD2-CG2 3.95Å; V220-I280 HydrophobicContact CG2-CG2 4.42Å; F255-I280 HydrophobicContact CD2-CG2 4.49Å; F255-I280 HydrophobicContact CE1-CG2 3.99Å; F255-I280 HydrophobicContact CE2-CB 3.93Å; F255-I280 HydrophobicContact CE2-CG2 3.72Å; F255-I280 HydrophobicContact CZ-CB 4.12Å; F255-I280 HydrophobicContact CZ-CG2 3.42Å; F255-I280 VanDerWaalsContact CZ-CG2 3.42Å; F269-I280 HydrophobicContact CE2-CD1 4.02Å; F269-I280 HydrophobicContact CZ-CD1 4.23Å; F269-I280 HydrophobicContact CZ-CG2 4.39Å; I276-I280 HydrophobicContact CG2-CD1 3.74Å; I276-I280 HydrophobicContact CG2-CG1 4.16Å; I276-I280 WeakPolarHBondContact O-CG1 3.2Å; I276-I280 PolarHBondContact O-N 3.47Å; N277-I280 PolarHBondContact O-N 3.17Å; I280-Q282 VanDerWaalsContact C-N 3.27Å; I280-Q282 PolarHBondContact O-N 2.71Å; I280-L283 PolarHBondContact O-N 2.93Å; I280-C284 PolarHBondContact O-N 3.12Å; I280-C284 PolarHBondContact O-SG 3.36Å |
| 281 | L | 94.8 | Very high | 93 | Very high | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.4 | -44.3 | -179.9 | 179.5 | 65.6 | 0 | 0 | 0 | 112.3 | I248 F250 F255 N277 L283 C284 M285 | I248-L281 HydrophobicContact CB-CD1 4.03Å; I248-L281 HydrophobicContact CG2-CD1 3.71Å; I248-L281 WeakPolarHBondContact O-CD1 3.41Å; F250-L281 HydrophobicContact CD1-CB 4.09Å; F250-L281 HydrophobicContact CD1-CD2 4.05Å; F250-L281 HydrophobicContact CE1-CB 3.9Å; F250-L281 HydrophobicContact CE1-CD2 3.56Å; F250-L281 HydrophobicContact CE1-CG 4.35Å; F255-L281 HydrophobicContact CE2-CB 4.29Å; F255-L281 HydrophobicContact CZ-CB 4.42Å; N277-L281 WeakPolarHBondContact O-CB 3.43Å; N277-L281 PolarHBondContact O-N 3.42Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 PolarHBondContact O-N 3.36Å; L281-C284 PolarHBondContact O-N 2.97Å; L281-M285 HydrophobicContact CD1-CG 4.11Å; L281-M285 HydrophobicContact CD1-SD 4.09Å; L281-M285 HydrophobicContact CD2-SD 4.35Å; L281-M285 HydrophobicContact CG-CG 4.33Å; L281-M285 HydrophobicContact CG-SD 3.81Å; L281-M285 WeakPolarHBondContact O-CB 3.48Å; L281-M285 WeakPolarHBondContact O-CG 3.25Å; L281-M285 PolarHBondContact O-N 3.29Å |
| 282 | Q | 92.1 | Very high | 92.6 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73.9 | -12 | -179.1 | -71.2 | -78.8 | -80.3 | 0 | 0 | 114.8 | K83 K278 R279 I280 M285 | K83-Q282 PolarHBondContact NZ-O 3.27Å; K278-Q282 WeakPolarHBondContact O-CB 3.24Å; K278-Q282 WeakPolarHBondContact O-CG 3.4Å; K278-Q282 PolarHBondContact O-N 2.68Å; R279-Q282 PolarHBondContact O-N 3.28Å; I280-Q282 VanDerWaalsContact C-N 3.27Å; I280-Q282 PolarHBondContact O-N 2.71Å; Q282-M285 PolarHBondContact NE2-SD 3.24Å; Q282-M285 VanDerWaalsContact NE2-SD 3.45Å |
| 283 | L | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -93.8 | -41.9 | 169 | -72.5 | 166.7 | 0 | 0 | 0 | 111 | K83 F84 N204 F206 V220 R279 I280 L281 G286 N287 | K83-L283 HydrophobicContact CG-CD2 4.1Å; F84-L283 HydrophobicContact CE1-CD2 4.09Å; N204-L283 HydrophobicContact CB-CD1 3.91Å; N204-L283 WeakPolarHBondContact OD1-CD1 3.34Å; F206-L283 HydrophobicContact CE2-CD1 3.92Å; F206-L283 HydrophobicContact CZ-CD1 3.57Å; V220-L283 HydrophobicContact CG1-CB 4.1Å; R279-L283 HydrophobicContact CG-CD1 3.89Å; R279-L283 WeakPolarHBondContact O-CG 3.2Å; R279-L283 PolarHBondContact O-N 2.85Å; R279-L283 VanDerWaalsContact O-N 3.11Å; I280-L283 PolarHBondContact O-N 2.93Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 PolarHBondContact O-N 3.36Å; L283-G286 PolarHBondContact O-N 3.01Å; L283-N287 WeakPolarHBondContact O-CB 3.27Å; L283-N287 PolarHBondContact O-N 3.14Å; L283-N287 PolarHBondContact O-ND2 3.29Å |
| 284 | C | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | W242 I248 I280 L281 G286 H288 | W242-C284 HydrophobicContact CH2-CB 3.58Å; W242-C284 HydrophobicContact CZ3-CB 3.87Å; I248-C284 HydrophobicContact CD1-CB 3.45Å; I248-C284 VanDerWaalsContact CD1-CB 3.45Å; I280-C284 PolarHBondContact O-N 3.12Å; I280-C284 PolarHBondContact O-SG 3.36Å; L281-C284 PolarHBondContact O-N 2.97Å; C284-G286 PolarHBondContact O-N 3.44Å; C284-H288 WeakPolarHBondContact O-CB 3.26Å; C284-H288 PolarHBondContact O-N 2.75Å |
| 285 | M | 92.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.1 | -53.2 | 175.1 | -77 | 170.1 | 53.8 | 0 | 0 | 111.9 | L281 Q282 H288 E289 Y499 A501 L503 | L281-M285 HydrophobicContact CD1-CG 4.11Å; L281-M285 HydrophobicContact CD1-SD 4.09Å; L281-M285 HydrophobicContact CD2-SD 4.35Å; L281-M285 HydrophobicContact CG-CG 4.33Å; L281-M285 HydrophobicContact CG-SD 3.81Å; L281-M285 WeakPolarHBondContact O-CB 3.48Å; L281-M285 WeakPolarHBondContact O-CG 3.25Å; L281-M285 PolarHBondContact O-N 3.29Å; Q282-M285 PolarHBondContact NE2-SD 3.24Å; Q282-M285 VanDerWaalsContact NE2-SD 3.45Å; M285-H288 PolarHBondContact O-N 2.74Å; M285-E289 WeakPolarHBondContact O-CB 3.33Å; M285-E289 PolarHBondContact O-N 2.59Å; M285-Y499 HydrophobicContact CE-CD1 4.29Å; M285-A501 HydrophobicContact CE-CB 3.58Å; M285-A501 HydrophobicContact CG-CB 4.08Å; M285-A501 HydrophobicContact SD-CB 4Å; M285-L503 HydrophobicContact CG-CD2 4.48Å |
| 286 | G | 93.5 | Very high | 92.4 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.4 | -33.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L283 C284 E289 L290 | L283-G286 PolarHBondContact O-N 3.01Å; C284-G286 PolarHBondContact O-N 3.44Å; G286-E289 PolarHBondContact O-N 3.09Å; G286-L290 WeakPolarHBondContact O-CG 3.47Å; G286-L290 PolarHBondContact O-N 3.38Å |
| 287 | N | 95.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 171.3 | -76.3 | -61.9 | 0 | 0 | 0 | 111 | D221 W242 L283 L290 Y291 | D221-N287 WeakPolarHBondContact O-CB 3.43Å; W242-N287 HydrophobicContact CZ2-CB 3.68Å; L283-N287 WeakPolarHBondContact O-CB 3.27Å; L283-N287 PolarHBondContact O-N 3.14Å; L283-N287 PolarHBondContact O-ND2 3.29Å; N287-L290 PolarHBondContact O-N 2.74Å; N287-Y291 VanDerWaalsContact O-CB 3.24Å; N287-Y291 WeakPolarHBondContact O-CB 3.34Å; N287-Y291 PolarHBondContact O-N 2.86Å |
| 288 | H | 93.7 | Very high | 92 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 174 | -176.1 | -73.2 | 0 | 0 | 0 | 112.2 | W242 C284 M285 L290 Y291 M292 L503 | W242-H288 HydrophobicContact CD2-CB 4.2Å; W242-H288 HydrophobicContact CE3-CB 3.98Å; C284-H288 WeakPolarHBondContact O-CB 3.26Å; C284-H288 PolarHBondContact O-N 2.75Å; M285-H288 PolarHBondContact O-N 2.74Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 3.17Å; H288-Y291 PolarHBondContact O-N 3.35Å; H288-M292 WeakPolarHBondContact CE1-CG 3.3Å; H288-M292 WeakPolarHBondContact O-CB 3.41Å; H288-M292 VanDerWaalsContact O-CG 3.3Å; H288-M292 WeakPolarHBondContact O-CG 3.31Å; H288-M292 PolarHBondContact O-N 2.87Å; H288-L503 HydrophobicContact CB-CD1 4.26Å; H288-L503 HydrophobicContact CB-CD2 4.27Å |
| 289 | E | 91.9 | Very high | 92 | Very high | 119 Ų | 119 | 42.3 Ų | 42.3 | 56% | 0.556 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -58.6 | -44.5 | 175.8 | -172.8 | 178.4 | 171.9 | 0 | 0 | 111.5 | M285 G286 R293 | M285-E289 WeakPolarHBondContact O-CB 3.33Å; M285-E289 PolarHBondContact O-N 2.59Å; G286-E289 PolarHBondContact O-N 3.09Å; E289-R293 WeakPolarHBondContact O-CB 3.42Å; E289-R293 PolarHBondContact O-N 3.37Å |
| 290 | L | 93.5 | Very high | 92 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.2 | -42.3 | 174.9 | -69.8 | 173.1 | 0 | 0 | 0 | 113 | W43 F84 G286 N287 H288 M292 R293 R294 | W43-L290 HydrophobicContact CB-CD2 4.09Å; W43-L290 HydrophobicContact CG-CD2 4.03Å; F84-L290 HydrophobicContact CB-CD1 3.6Å; F84-L290 HydrophobicContact CD2-CD1 4.33Å; F84-L290 HydrophobicContact CG-CD1 3.98Å; G286-L290 WeakPolarHBondContact O-CG 3.47Å; G286-L290 PolarHBondContact O-N 3.38Å; N287-L290 PolarHBondContact O-N 2.74Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 3.17Å; L290-M292 VanDerWaalsContact C-N 3.28Å; L290-M292 PolarHBondContact O-N 3.12Å; L290-R293 WeakPolarHBondContact O-CB 3.21Å; L290-R293 PolarHBondContact O-N 2.77Å; L290-R293 VanDerWaalsContact O-N 3.12Å; L290-R294 WeakPolarHBondContact O-CD 3.34Å; L290-R294 WeakPolarHBondContact O-CG 3.36Å; L290-R294 PolarHBondContact O-N 2.95Å |
| 291 | Y | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -41.4 | 174.6 | 178.3 | -87.4 | 0 | 0 | 0 | 112 | E87 W242 S243 N287 H288 R295 E514 | E87-Y291 WeakPolarHBondContact OE1-CD2 3.44Å; W242-Y291 HydrophobicContact CB-CD1 3.44Å; W242-Y291 VanDerWaalsContact CB-CD1 3.44Å; W242-Y291 HydrophobicContact CB-CD2 3.79Å; W242-Y291 HydrophobicContact CB-CE1 3.67Å; W242-Y291 HydrophobicContact CB-CE2 3.99Å; W242-Y291 HydrophobicContact CB-CG 3.51Å; W242-Y291 AromaticContact CD1-CD2 3.6Å; W242-Y291 AromaticContact CD1-CG 3.76Å; W242-Y291 HydrophobicContact CG-CD1 4.36Å; W242-Y291 HydrophobicContact CG-CD2 4.1Å; W242-Y291 AromaticContact CG-CG 3.96Å; W242-Y291 HydrophobicContact CG-CG 3.96Å; S243-Y291 WeakPolarHBondContact CB-OH 3.14Å; S243-Y291 PolarHBondContact OG-OH 3.05Å; N287-Y291 VanDerWaalsContact O-CB 3.24Å; N287-Y291 WeakPolarHBondContact O-CB 3.34Å; N287-Y291 PolarHBondContact O-N 2.86Å; H288-Y291 PolarHBondContact O-N 3.35Å; Y291-R295 VanDerWaalsContact CE2-NH2 3.29Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.4Å; Y291-R295 VanDerWaalsContact CZ-NE 3.3Å; Y291-R295 PolarHBondContact O-N 2.9Å; Y291-R295 PolarHBondContact O-NH1 2.87Å; Y291-R295 PolarHBondContact OH-NE 2.84Å; Y291-E514 WeakPolarHBondContact CE2-OE1 3.49Å; Y291-E514 PolarHBondContact OH-OE1 2.6Å |
| 292 | M | 89.6 | Confident | 91.7 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.7 | -34.7 | 174.8 | -73.8 | -63.2 | -58.2 | 0 | 0 | 113 | H288 L290 R295 K296 S504 I508 | H288-M292 WeakPolarHBondContact CE1-CG 3.3Å; H288-M292 WeakPolarHBondContact O-CB 3.41Å; H288-M292 VanDerWaalsContact O-CG 3.3Å; H288-M292 WeakPolarHBondContact O-CG 3.31Å; H288-M292 PolarHBondContact O-N 2.87Å; L290-M292 VanDerWaalsContact C-N 3.28Å; L290-M292 PolarHBondContact O-N 3.12Å; M292-R295 PolarHBondContact O-N 3.11Å; M292-K296 WeakPolarHBondContact O-CG 3.15Å; M292-S504 WeakPolarHBondContact CE-O 3.39Å; M292-I508 HydrophobicContact CE-CD1 4.16Å; M292-I508 HydrophobicContact CE-CG1 3.53Å; M292-I508 HydrophobicContact SD-CD1 3.94Å; M292-I508 HydrophobicContact SD-CG1 3.74Å |
| 293 | R | 89.6 | Confident | 91.7 | Very high | 84 Ų | 84 | 48 Ų | 48 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 174.5 | 178.7 | 173.7 | 169.5 | 174.6 | -8.7 | 111.3 | W43 E289 L290 R295 K296 | W43-R293 VanDerWaalsContact CE3-NH1 3.34Å; E289-R293 WeakPolarHBondContact O-CB 3.42Å; E289-R293 PolarHBondContact O-N 3.37Å; L290-R293 WeakPolarHBondContact O-CB 3.21Å; L290-R293 PolarHBondContact O-N 2.77Å; L290-R293 VanDerWaalsContact O-N 3.12Å; R293-R295 VanDerWaalsContact C-N 3.26Å; R293-R295 PolarHBondContact O-N 2.87Å; R293-K296 PolarHBondContact O-N 2.88Å |
| 294 | R | 89.4 | Confident | 91.7 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -25.3 | 178.3 | -67.9 | 158.3 | -175.6 | 141.2 | 0.3 | 114.4 | F85 E87 E92 L290 K296 | F85-R294 PolarHBondContact O-NH2 2.75Å; E87-R294 WeakPolarHBondContact OE1-CD 3.37Å; E87-R294 IonicContact OE1-CZ 3.61Å; E87-R294 IonicContact OE1-NE 3.44Å; E87-R294 IonicContact OE1-NH1 2.69Å; E87-R294 PolarHBondContact OE1-NH1 2.99Å; E92-R294 IonicContact OE1-CZ 3.84Å; E92-R294 IonicContact OE1-NE 2.75Å; E92-R294 PolarHBondContact OE1-NE 3Å; E92-R294 VanDerWaalsContact OE1-NE 3.1Å; E92-R294 IonicContact OE1-NH2 3.83Å; E92-R294 IonicContact OE2-CZ 2.78Å; E92-R294 IonicContact OE2-NE 3.17Å; E92-R294 PolarHBondContact OE2-NE 3.47Å; E92-R294 IonicContact OE2-NH2 2.76Å; E92-R294 PolarHBondContact OE2-NH2 2.95Å; L290-R294 WeakPolarHBondContact O-CD 3.34Å; L290-R294 WeakPolarHBondContact O-CG 3.36Å; L290-R294 PolarHBondContact O-N 2.95Å; R294-K296 VanDerWaalsContact C-N 3.31Å |
| 295 | R | 88.3 | Confident | 91.5 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 8.7 | 179.4 | -73.1 | 160.2 | -173.5 | 73.8 | 6.6 | 113 | E87 Y291 M292 R293 E514 | E87-R295 IonicContact OE1-CZ 2.6Å; E87-R295 IonicContact OE1-NH1 2.96Å; E87-R295 PolarHBondContact OE1-NH1 2.82Å; E87-R295 IonicContact OE1-NH2 2.68Å; E87-R295 IonicContact OE2-CZ 3.77Å; E87-R295 IonicContact OE2-NH1 3.63Å; E87-R295 PolarHBondContact OE2-NH1 3.46Å; E87-R295 IonicContact OE2-NH2 2.71Å; E87-R295 PolarHBondContact OE2-NH2 3.02Å; Y291-R295 VanDerWaalsContact CE2-NH2 3.29Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.4Å; Y291-R295 VanDerWaalsContact CZ-NE 3.3Å; Y291-R295 PolarHBondContact O-N 2.9Å; Y291-R295 PolarHBondContact O-NH1 2.87Å; Y291-R295 PolarHBondContact OH-NE 2.84Å; M292-R295 PolarHBondContact O-N 3.11Å; R293-R295 VanDerWaalsContact C-N 3.26Å; R293-R295 PolarHBondContact O-N 2.87Å; R295-E514 IonicContact CZ-OE2 3.71Å; R295-E514 IonicContact NE-OE2 3.98Å; R295-E514 IonicContact NH2-OE1 3.18Å; R295-E514 IonicContact NH2-OE2 2.6Å; R295-E514 PolarHBondContact NH2-OE2 3.37Å |
| 296 | K | 87.6 | Confident | 91.6 | Very high | 84 Ų | 84 | 55.2 Ų | 55.2 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -116.7 | 157.4 | 169.7 | -66.2 | 175.7 | -176.4 | -172.8 | 0 | 108.7 | M292 R293 R294 E506 | M292-K296 WeakPolarHBondContact O-CG 3.15Å; R293-K296 PolarHBondContact O-N 2.88Å; R294-K296 VanDerWaalsContact C-N 3.31Å; K296-E506 WeakPolarHBondContact CE-O 3.31Å; K296-E506 PolarHBondContact NZ-O 3.19Å |
| 297 | P | 86.9 | Confident | 91.6 | Very high | 103 Ų | 103 | 57 Ų | 57 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 144.8 | 174.1 | -23.3 | 34.3 | 0 | 0 | 0 | 111.7 | T299 | P297-T299 PolarHBondContact O-N 2.94Š|
| 298 | D | 89.1 | Confident | 91.4 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 137.9 | 174.1 | -82.7 | -28.8 | 0 | 0 | 0 | 110.9 | V302 Q303 K306 | D298-V302 HydrophobicContact CB-CB 4.08Å; D298-V302 HydrophobicContact CB-CG1 3.88Å; D298-V302 VanDerWaalsContact CG-CG1 3.45Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.24Å; D298-Q303 HydrophobicContact CB-CG 3.72Å; D298-Q303 PolarHBondContact O-NE2 3.07Å; D298-K306 IonicContact OD1-NZ 3.58Å; D298-K306 WeakPolarHBondContact OD2-CE 3.22Å; D298-K306 IonicContact OD2-NZ 3.12Å; D298-K306 PolarHBondContact OD2-NZ 3.39Å |
| 299 | T | 91.1 | Very high | 91.2 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 159 | 174.2 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | P297 E301 V302 Q303 | P297-T299 PolarHBondContact O-N 2.94Å; T299-E301 PolarHBondContact O-N 3.16Å; T299-V302 PolarHBondContact O-N 3.22Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.24Å; T299-V302 PolarHBondContact OG1-N 2.82Å; T299-Q303 WeakPolarHBondContact O-CG 3.32Å; T299-Q303 PolarHBondContact O-N 3.28Å |
| 300 | I | 92.3 | Very high | 91.1 | Very high | 130 Ų | 130 | 64.3 Ų | 64.3 | 67% | 0.667 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -52.9 | -41.2 | 178.9 | -61.1 | 174 | 0 | 0 | 0 | 111 | Q303 Q304 | I300-Q303 PolarHBondContact O-N 3.19Å; I300-Q304 HydrophobicContact CG2-CG 4.42Å; I300-Q304 WeakPolarHBondContact O-CB 3.39Å; I300-Q304 VanDerWaalsContact O-CG 3.3Å; I300-Q304 WeakPolarHBondContact O-CG 3.37Å; I300-Q304 PolarHBondContact O-N 2.62Å |
| 301 | E | 91.1 | Very high | 91 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 175.6 | -166.1 | -168.3 | -177.4 | 0 | 0 | 112.5 | R40 T299 Q303 Q304 M305 | R40-E301 IonicContact CZ-OE1 3.4Å; R40-E301 IonicContact NE-OE1 2.61Å; R40-E301 IonicContact NH2-OE1 3.39Å; R40-E301 PolarHBondContact NH2-OE1 3.03Å; T299-E301 PolarHBondContact O-N 3.16Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-Q303 PolarHBondContact O-N 3.38Å; E301-Q304 PolarHBondContact O-N 2.93Å; E301-M305 HydrophobicContact CG-SD 4.23Å; E301-M305 WeakPolarHBondContact O-CB 3.5Å; E301-M305 VanDerWaalsContact O-CG 3.3Å; E301-M305 WeakPolarHBondContact O-CG 3.29Å; E301-M305 PolarHBondContact O-N 2.82Å |
| 302 | V | 92.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | W43 I94 D298 T299 M305 K306 | W43-V302 HydrophobicContact CH2-CG2 4.19Å; I94-V302 HydrophobicContact CD1-CG1 3.98Å; D298-V302 HydrophobicContact CB-CB 4.08Å; D298-V302 HydrophobicContact CB-CG1 3.88Å; D298-V302 VanDerWaalsContact CG-CG1 3.45Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.24Å; T299-V302 PolarHBondContact O-N 3.22Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.24Å; T299-V302 PolarHBondContact OG1-N 2.82Å; V302-M305 PolarHBondContact O-N 2.85Å; V302-K306 HydrophobicContact CG1-CD 4.16Å; V302-K306 HydrophobicContact CG1-CG 4.41Å; V302-K306 WeakPolarHBondContact O-CB 3.32Å; V302-K306 WeakPolarHBondContact O-CG 3.35Å; V302-K306 PolarHBondContact O-N 3.1Å |
| 303 | Q | 92.3 | Very high | 90.7 | Very high | 105 Ų | 105 | 77.7 Ų | 77.7 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.6 | -65.5 | -178.1 | 31.8 | 0 | 0 | 111.5 | D298 T299 I300 E301 K306 A307 | D298-Q303 HydrophobicContact CB-CG 3.72Å; D298-Q303 PolarHBondContact O-NE2 3.07Å; T299-Q303 WeakPolarHBondContact O-CG 3.32Å; T299-Q303 PolarHBondContact O-N 3.28Å; I300-Q303 PolarHBondContact O-N 3.19Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-Q303 PolarHBondContact O-N 3.38Å; Q303-K306 PolarHBondContact O-N 3.44Å; Q303-A307 WeakPolarHBondContact O-CB 3.46Å; Q303-A307 PolarHBondContact O-N 3.4Å |
| 304 | Q | 94 | Very high | 90.7 | Very high | 115 Ų | 115 | 79 Ų | 79 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 173.4 | -74.6 | 170.5 | -24.3 | 0 | 0 | 111.6 | I300 E301 K306 A307 Q308 | I300-Q304 HydrophobicContact CG2-CG 4.42Å; I300-Q304 WeakPolarHBondContact O-CB 3.39Å; I300-Q304 VanDerWaalsContact O-CG 3.3Å; I300-Q304 WeakPolarHBondContact O-CG 3.37Å; I300-Q304 PolarHBondContact O-N 2.62Å; E301-Q304 PolarHBondContact O-N 2.93Å; Q304-K306 PolarHBondContact O-N 2.88Å; Q304-A307 WeakPolarHBondContact O-CB 3.29Å; Q304-A307 PolarHBondContact O-N 3.35Å; Q304-A307 VanDerWaalsContact O-N 3.14Å; Q304-Q308 WeakPolarHBondContact O-CB 3.02Å; Q304-Q308 PolarHBondContact O-N 2.97Å |
| 305 | M | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.02 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.4 | -71.8 | 172.4 | 59.1 | 0 | 0 | 111.7 | R40 E41 W43 I94 Q95 E301 V302 A307 A309 | R40-M305 HydrophobicContact CB-CE 3.61Å; R40-M305 HydrophobicContact CB-SD 3.97Å; R40-M305 VanDerWaalsContact CZ-CG 3.48Å; E41-M305 HydrophobicContact CG-CE 3.54Å; W43-M305 HydrophobicContact CH2-CE 4.13Å; W43-M305 HydrophobicContact CH2-SD 4.4Å; I94-M305 HydrophobicContact CD1-CB 4.38Å; I94-M305 HydrophobicContact CD1-CE 4.22Å; I94-M305 HydrophobicContact CG2-CB 4Å; I94-M305 WeakPolarHBondContact CG2-O 3.33Å; Q95-M305 HydrophobicContact CG-CE 4.45Å; E301-M305 HydrophobicContact CG-SD 4.23Å; E301-M305 WeakPolarHBondContact O-CB 3.5Å; E301-M305 VanDerWaalsContact O-CG 3.3Å; E301-M305 WeakPolarHBondContact O-CG 3.29Å; E301-M305 PolarHBondContact O-N 2.82Å; V302-M305 PolarHBondContact O-N 2.85Å; M305-A307 VanDerWaalsContact C-N 3.34Å; M305-A307 PolarHBondContact O-N 3.07Å; M305-A309 VanDerWaalsContact O-CB 3.29Å; M305-A309 WeakPolarHBondContact O-CB 3.4Å; M305-A309 PolarHBondContact O-N 3Å |
| 306 | K | 93.7 | Very high | 90.7 | Very high | 53 Ų | 53 | 84.5 Ų | 84.5 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.6 | -30.5 | 175.2 | -74.5 | -178.7 | 177.9 | 178.4 | 0 | 112.4 | E91 I94 D298 V302 Q303 Q304 R310 | E91-K306 PolarHBondContact O-NZ 2.93Å; I94-K306 HydrophobicContact CD1-CG 3.9Å; I94-K306 HydrophobicContact CG1-CG 3.94Å; I94-K306 HydrophobicContact CG2-CG 4.12Å; D298-K306 IonicContact OD1-NZ 3.58Å; D298-K306 WeakPolarHBondContact OD2-CE 3.22Å; D298-K306 IonicContact OD2-NZ 3.12Å; D298-K306 PolarHBondContact OD2-NZ 3.39Å; V302-K306 HydrophobicContact CG1-CD 4.16Å; V302-K306 HydrophobicContact CG1-CG 4.41Å; V302-K306 WeakPolarHBondContact O-CB 3.32Å; V302-K306 WeakPolarHBondContact O-CG 3.35Å; V302-K306 PolarHBondContact O-N 3.1Å; Q303-K306 PolarHBondContact O-N 3.44Å; Q304-K306 PolarHBondContact O-N 2.88Å; K306-R310 WeakPolarHBondContact O-CB 3.47Å; K306-R310 VanDerWaalsContact O-CG 3.3Å; K306-R310 WeakPolarHBondContact O-CG 3.47Å; K306-R310 PolarHBondContact O-N 3.02Å; K306-R310 PolarHBondContact O-NE 3.33Å |
| 307 | A | 93.5 | Very high | 90.7 | Very high | 45 Ų | 45 | 85.2 Ų | 85.2 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.4 | -55.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q303 Q304 M305 A309 R310 E311 | Q303-A307 WeakPolarHBondContact O-CB 3.46Å; Q303-A307 PolarHBondContact O-N 3.4Å; Q304-A307 WeakPolarHBondContact O-CB 3.29Å; Q304-A307 PolarHBondContact O-N 3.35Å; Q304-A307 VanDerWaalsContact O-N 3.14Å; M305-A307 VanDerWaalsContact C-N 3.34Å; M305-A307 PolarHBondContact O-N 3.07Å; A307-A309 PolarHBondContact O-N 3.07Å; A307-R310 PolarHBondContact O-N 3Å; A307-R310 VanDerWaalsContact O-N 3.09Å; A307-E311 PolarHBondContact O-N 3.49Å |
| 308 | Q | 92.7 | Very high | 90.8 | Very high | 90 Ų | 90 | 83 Ų | 83 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.8 | -50.7 | 177.7 | -179.7 | -178.5 | -4.9 | 0 | 0 | 112 | Q304 R310 E311 E312 | Q304-Q308 WeakPolarHBondContact O-CB 3.02Å; Q304-Q308 PolarHBondContact O-N 2.97Å; Q308-R310 VanDerWaalsContact C-N 3.3Å; Q308-R310 PolarHBondContact O-N 3.44Å; Q308-E311 PolarHBondContact O-N 3.28Å; Q308-E311 VanDerWaalsContact O-N 3.14Å; Q308-E312 HydrophobicContact CG-CG 4.37Å; Q308-E312 VanDerWaalsContact CG-OE1 3.25Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.45Å; Q308-E312 PolarHBondContact NE2-OE1 3.39Å; Q308-E312 WeakPolarHBondContact O-CB 3.31Å; Q308-E312 WeakPolarHBondContact O-CG 3.46Å; Q308-E312 PolarHBondContact O-N 2.88Å |
| 309 | A | 90.3 | Very high | 90.8 | Very high | 23 Ų | 23 | 86 Ų | 86 | 19% | 0.19 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.2 | -31.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I94 M305 A307 K313 | I94-A309 HydrophobicContact CG2-CB 3.74Å; I94-A309 VanDerWaalsContact O-CB 3.24Å; I94-A309 WeakPolarHBondContact O-CB 3.35Å; M305-A309 VanDerWaalsContact O-CB 3.29Å; M305-A309 WeakPolarHBondContact O-CB 3.4Å; M305-A309 PolarHBondContact O-N 3Å; A307-A309 PolarHBondContact O-N 3.07Å; A309-K313 WeakPolarHBondContact O-CB 3.46Å; A309-K313 PolarHBondContact O-N 3.03Å |
| 310 | R | 89.9 | Confident | 90.5 | Very high | 170 Ų | 170 | 86.1 Ų | 86.1 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.6 | -37.9 | 173.4 | -77 | 177.9 | -66.1 | -173.6 | 1.6 | 111.9 | K306 A307 Q308 H314 | K306-R310 WeakPolarHBondContact O-CB 3.47Å; K306-R310 VanDerWaalsContact O-CG 3.3Å; K306-R310 WeakPolarHBondContact O-CG 3.47Å; K306-R310 PolarHBondContact O-N 3.02Å; K306-R310 PolarHBondContact O-NE 3.33Å; A307-R310 PolarHBondContact O-N 3Å; A307-R310 VanDerWaalsContact O-N 3.09Å; Q308-R310 VanDerWaalsContact C-N 3.3Å; Q308-R310 PolarHBondContact O-N 3.44Å; R310-H314 VanDerWaalsContact O-CB 3.23Å; R310-H314 WeakPolarHBondContact O-CB 3.33Å; R310-H314 PolarHBondContact O-N 3.29Å |
| 311 | E | 91.6 | Very high | 90.3 | Very high | 145 Ų | 145 | 84.7 Ų | 84.7 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.7 | -49.1 | 175.9 | -174.1 | 166.4 | -159.1 | 0 | 0 | 111.4 | A307 Q308 K313 H314 Q315 | A307-E311 PolarHBondContact O-N 3.49Å; Q308-E311 PolarHBondContact O-N 3.28Å; Q308-E311 VanDerWaalsContact O-N 3.14Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.49Å; E311-H314 PolarHBondContact O-N 3.36Å; E311-Q315 WeakPolarHBondContact O-CB 3.49Å; E311-Q315 PolarHBondContact O-N 3.26Å |
| 312 | E | 89.2 | Confident | 90.2 | Very high | 84 Ų | 84 | 86.8 Ų | 86.8 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 173.4 | -71.9 | 176 | -167 | 0 | 0 | 111.8 | Q308 Q315 K316 | Q308-E312 HydrophobicContact CG-CG 4.37Å; Q308-E312 VanDerWaalsContact CG-OE1 3.25Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.45Å; Q308-E312 PolarHBondContact NE2-OE1 3.39Å; Q308-E312 WeakPolarHBondContact O-CB 3.31Å; Q308-E312 WeakPolarHBondContact O-CG 3.46Å; Q308-E312 PolarHBondContact O-N 2.88Å; E312-Q315 PolarHBondContact O-N 2.87Å; E312-K316 WeakPolarHBondContact O-CB 3.46Å; E312-K316 VanDerWaalsContact O-CG 3.27Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 3.45Å |
| 313 | K | 86.6 | Confident | 90 | Very high | 81 Ų | 81 | 92.6 Ų | 92.6 | 35% | 0.352 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 177.7 | -171.9 | 164.6 | -170.8 | 159.8 | 0 | 112.6 | N186 A309 E311 Q317 | N186-K313 VanDerWaalsContact OD1-CE 3.31Å; N186-K313 WeakPolarHBondContact OD1-CE 3.49Å; N186-K313 PolarHBondContact OD1-NZ 3.07Å; A309-K313 WeakPolarHBondContact O-CB 3.46Å; A309-K313 PolarHBondContact O-N 3.03Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.49Å; K313-Q317 WeakPolarHBondContact O-CB 3.32Å; K313-Q317 PolarHBondContact O-N 3.36Å; K313-Q317 VanDerWaalsContact O-N 3.11Å |
| 314 | H | 89.4 | Confident | 89.7 | Confident | 110 Ų | 110 | 90.9 Ų | 90.9 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 174.5 | -178.2 | -110.2 | 0 | 0 | 0 | 111.5 | R310 E311 Q317 L318 | R310-H314 VanDerWaalsContact O-CB 3.23Å; R310-H314 WeakPolarHBondContact O-CB 3.33Å; R310-H314 PolarHBondContact O-N 3.29Å; E311-H314 PolarHBondContact O-N 3.36Å; H314-Q317 WeakPolarHBondContact O-CB 3.41Å; H314-Q317 PolarHBondContact O-N 3.11Å; H314-Q317 VanDerWaalsContact O-N 3.14Å; H314-L318 PolarHBondContact O-N 3.34Å |
| 315 | Q | 90.6 | Very high | 89.6 | Confident | 117 Ų | 117 | 89.9 Ų | 89.9 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 177.6 | -173 | 63 | 10 | 0 | 0 | 111.7 | E311 E312 Q317 L318 E319 | E311-Q315 WeakPolarHBondContact O-CB 3.49Å; E311-Q315 PolarHBondContact O-N 3.26Å; E312-Q315 PolarHBondContact O-N 2.87Å; Q315-Q317 PolarHBondContact O-N 3.34Å; Q315-L318 PolarHBondContact O-N 3.14Å; Q315-E319 WeakPolarHBondContact O-CB 3.32Å; Q315-E319 PolarHBondContact O-N 3.48Å |
| 316 | K | 87.2 | Confident | 89.4 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 37% | 0.365 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.7 | -36.8 | 171.6 | -72.2 | 172 | -177.9 | -174.1 | 0 | 112.3 | D96 E312 R320 | D96-K316 IonicContact OD2-NZ 2.8Å; D96-K316 PolarHBondContact OD2-NZ 2.95Å; E312-K316 WeakPolarHBondContact O-CB 3.46Å; E312-K316 VanDerWaalsContact O-CG 3.27Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 3.45Å; K316-R320 WeakPolarHBondContact O-CB 3.46Å; K316-R320 PolarHBondContact O-N 3.25Å; K316-R320 VanDerWaalsContact O-N 3.11Å |
| 317 | Q | 86.4 | Confident | 89.1 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 178 | -176.9 | 171.9 | -12.7 | 0 | 0 | 112.2 | K313 H314 Q315 Q321 | K313-Q317 WeakPolarHBondContact O-CB 3.32Å; K313-Q317 PolarHBondContact O-N 3.36Å; K313-Q317 VanDerWaalsContact O-N 3.11Å; H314-Q317 WeakPolarHBondContact O-CB 3.41Å; H314-Q317 PolarHBondContact O-N 3.11Å; H314-Q317 VanDerWaalsContact O-N 3.14Å; Q315-Q317 PolarHBondContact O-N 3.34Å; Q317-Q321 WeakPolarHBondContact O-CB 3.48Å; Q317-Q321 VanDerWaalsContact O-CG 3.31Å; Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 3.09Å |
| 318 | L | 89.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 100.3 Ų | 100.3 | 30% | 0.298 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 174.6 | -73.1 | 176.4 | 0 | 0 | 0 | 111.9 | H314 Q315 R320 Q321 Q322 | H314-L318 PolarHBondContact O-N 3.34Å; Q315-L318 PolarHBondContact O-N 3.14Å; L318-R320 VanDerWaalsContact C-N 3.31Å; L318-R320 PolarHBondContact O-N 3.14Å; L318-Q321 PolarHBondContact O-N 3.32Å; L318-Q321 VanDerWaalsContact O-N 3.11Å; L318-Q322 WeakPolarHBondContact O-CG 3.39Å; L318-Q322 PolarHBondContact O-N 3.47Å |
| 319 | E | 89.3 | Confident | 88.8 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -55.8 | -46.7 | 176.2 | -175.2 | -172.3 | 177.3 | 0 | 0 | 110.8 | Q315 Q321 Q322 L323 | Q315-E319 WeakPolarHBondContact O-CB 3.32Å; Q315-E319 PolarHBondContact O-N 3.48Å; E319-Q321 PolarHBondContact O-N 3.42Å; E319-Q322 PolarHBondContact O-N 2.81Å; E319-L323 WeakPolarHBondContact O-CB 3.39Å; E319-L323 PolarHBondContact O-N 2.8Å |
| 320 | R | 84.1 | Confident | 88.7 | Confident | 74 Ų | 74 | 110.9 Ų | 110.9 | 28% | 0.279 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.5 | 179.9 | 175.9 | 163 | -161 | -12.6 | 112.8 | G181 K316 L318 Q322 L323 E324 | G181-R320 PolarHBondContact O-NH1 3.45Å; G181-R320 PolarHBondContact O-NH2 3.13Å; G181-R320 VanDerWaalsContact O-NH2 3.16Å; K316-R320 WeakPolarHBondContact O-CB 3.46Å; K316-R320 PolarHBondContact O-N 3.25Å; K316-R320 VanDerWaalsContact O-N 3.11Å; L318-R320 VanDerWaalsContact C-N 3.31Å; L318-R320 PolarHBondContact O-N 3.14Å; R320-Q322 VanDerWaalsContact C-N 3.32Å; R320-Q322 PolarHBondContact O-N 3.06Å; R320-L323 PolarHBondContact O-N 2.94Å; R320-E324 HydrophobicContact CG-CG 4.39Å; R320-E324 IonicContact CZ-OE1 2.68Å; R320-E324 IonicContact NE-OE1 2.75Å; R320-E324 PolarHBondContact NE-OE1 3.07Å; R320-E324 IonicContact NH2-OE1 2.66Å; R320-E324 PolarHBondContact NH2-OE1 3.09Å; R320-E324 WeakPolarHBondContact O-CB 3.43Å; R320-E324 WeakPolarHBondContact O-CG 3.45Å; R320-E324 PolarHBondContact O-N 2.99Å |
| 321 | Q | 88.1 | Confident | 88.7 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.4 | -77.3 | 176 | -2.6 | 0 | 0 | 111.9 | Q317 L318 E319 T325 | Q317-Q321 WeakPolarHBondContact O-CB 3.48Å; Q317-Q321 VanDerWaalsContact O-CG 3.31Å; Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 3.09Å; L318-Q321 PolarHBondContact O-N 3.32Å; L318-Q321 VanDerWaalsContact O-N 3.11Å; E319-Q321 PolarHBondContact O-N 3.42Å; Q321-T325 WeakPolarHBondContact O-CB 3.27Å; Q321-T325 PolarHBondContact O-N 3.03Å; Q321-T325 PolarHBondContact O-OG1 2.88Å |
| 322 | Q | 90.5 | Very high | 88.7 | Confident | 134 Ų | 134 | 102.1 Ų | 102.1 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.4 | -48 | 172.2 | -67.8 | 172.1 | 14.5 | 0 | 0 | 110.8 | L318 E319 R320 E324 T325 E326 | L318-Q322 WeakPolarHBondContact O-CG 3.39Å; L318-Q322 PolarHBondContact O-N 3.47Å; E319-Q322 PolarHBondContact O-N 2.81Å; R320-Q322 VanDerWaalsContact C-N 3.32Å; R320-Q322 PolarHBondContact O-N 3.06Å; Q322-E324 PolarHBondContact O-N 2.73Å; Q322-T325 PolarHBondContact O-N 3.46Å; Q322-E326 WeakPolarHBondContact O-CB 3.39Å; Q322-E326 PolarHBondContact O-N 3.44Å |
| 323 | L | 88.1 | Confident | 88.9 | Confident | 126 Ų | 126 | 102 Ų | 102 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 177 | -168.8 | 86 | 0 | 0 | 0 | 112.4 | E319 R320 T325 K327 | E319-L323 WeakPolarHBondContact O-CB 3.39Å; E319-L323 PolarHBondContact O-N 2.8Å; R320-L323 PolarHBondContact O-N 2.94Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 PolarHBondContact O-N 2.97Å; L323-K327 VanDerWaalsContact O-CB 3.26Å; L323-K327 WeakPolarHBondContact O-CB 3.39Å; L323-K327 PolarHBondContact O-N 3.08Å |
| 324 | E | 86.4 | Confident | 89 | Confident | 70 Ų | 70 | 104.1 Ų | 104.1 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -33.5 | 177.1 | -76.8 | -173.4 | -163.1 | 0 | 0 | 112.6 | R320 Q322 K328 | R320-E324 HydrophobicContact CG-CG 4.39Å; R320-E324 IonicContact CZ-OE1 2.68Å; R320-E324 IonicContact NE-OE1 2.75Å; R320-E324 PolarHBondContact NE-OE1 3.07Å; R320-E324 IonicContact NH2-OE1 2.66Å; R320-E324 PolarHBondContact NH2-OE1 3.09Å; R320-E324 WeakPolarHBondContact O-CB 3.43Å; R320-E324 WeakPolarHBondContact O-CG 3.45Å; R320-E324 PolarHBondContact O-N 2.99Å; Q322-E324 PolarHBondContact O-N 2.73Å; E324-K328 WeakPolarHBondContact O-CB 3.35Å; E324-K328 WeakPolarHBondContact O-CD 3.37Å; E324-K328 VanDerWaalsContact O-CG 3.26Å; E324-K328 WeakPolarHBondContact O-CG 3.34Å; E324-K328 PolarHBondContact O-N 2.75Å |
| 325 | T | 90.3 | Very high | 89.1 | Confident | 93 Ų | 93 | 106.6 Ų | 106.6 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.7 | -44.7 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | Q321 Q322 L323 K328 R329 | Q321-T325 WeakPolarHBondContact O-CB 3.27Å; Q321-T325 PolarHBondContact O-N 3.03Å; Q321-T325 PolarHBondContact O-OG1 2.88Å; Q322-T325 PolarHBondContact O-N 3.46Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 PolarHBondContact O-N 2.97Å; T325-K328 PolarHBondContact O-N 3.25Å; T325-R329 WeakPolarHBondContact O-CB 2.92Å; T325-R329 PolarHBondContact O-N 3.44Å |
| 326 | E | 89.6 | Confident | 89.2 | Confident | 74 Ų | 74 | 106.2 Ų | 106.2 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 173.7 | 174.7 | 61.2 | -175.3 | 0 | 0 | 111.5 | Q322 R329 R330 | Q322-E326 WeakPolarHBondContact O-CB 3.39Å; Q322-E326 PolarHBondContact O-N 3.44Å; E326-R329 WeakPolarHBondContact O-CB 3.48Å; E326-R329 PolarHBondContact O-N 2.9Å; E326-R330 WeakPolarHBondContact O-CG 3.37Å; E326-R330 PolarHBondContact O-N 3.23Å; E326-R330 IonicContact OE1-CZ 3.12Å; E326-R330 IonicContact OE1-NE 2.75Å; E326-R330 PolarHBondContact OE1-NE 2.71Å; E326-R330 IonicContact OE1-NH2 2.7Å; E326-R330 PolarHBondContact OE1-NH2 3.1Å |
| 327 | K | 88.3 | Confident | 89.4 | Confident | 124 Ų | 124 | 108.7 Ų | 108.7 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.5 | -170.8 | 174.9 | -170.1 | -69.4 | 0 | 111.7 | L323 R329 R330 E331 | L323-K327 VanDerWaalsContact O-CB 3.26Å; L323-K327 WeakPolarHBondContact O-CB 3.39Å; L323-K327 PolarHBondContact O-N 3.08Å; K327-R329 VanDerWaalsContact C-N 3.31Å; K327-R329 PolarHBondContact O-N 2.73Å; K327-R330 PolarHBondContact O-N 2.66Å; K327-E331 IonicContact NZ-OE1 2.66Å; K327-E331 PolarHBondContact NZ-OE1 2.95Å; K327-E331 WeakPolarHBondContact O-CG 3.3Å; K327-E331 PolarHBondContact O-N 3.26Å |
| 328 | K | 88.7 | Confident | 89.7 | Confident | 124 Ų | 124 | 108.7 Ų | 108.7 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 174 | -74.4 | 164.4 | -174.7 | 162.9 | 0 | 111.9 | E324 T325 E331 T332 | E324-K328 WeakPolarHBondContact O-CB 3.35Å; E324-K328 WeakPolarHBondContact O-CD 3.37Å; E324-K328 VanDerWaalsContact O-CG 3.26Å; E324-K328 WeakPolarHBondContact O-CG 3.34Å; E324-K328 PolarHBondContact O-N 2.75Å; T325-K328 PolarHBondContact O-N 3.25Å; K328-E331 PolarHBondContact O-N 2.89Å; K328-T332 PolarHBondContact O-N 2.74Å; K328-T332 PolarHBondContact O-OG1 2.9Å |
| 329 | R | 90.4 | Very high | 89.9 | Confident | 170 Ų | 170 | 111.5 Ų | 111.5 | 64% | 0.642 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 177.4 | -169 | -178.3 | -172 | 179.6 | 3.7 | 112.7 | T325 E326 K327 T332 V333 | T325-R329 WeakPolarHBondContact O-CB 2.92Å; T325-R329 PolarHBondContact O-N 3.44Å; E326-R329 WeakPolarHBondContact O-CB 3.48Å; E326-R329 PolarHBondContact O-N 2.9Å; K327-R329 VanDerWaalsContact C-N 3.31Å; K327-R329 PolarHBondContact O-N 2.73Å; R329-T332 PolarHBondContact O-OG1 3.28Å; R329-V333 WeakPolarHBondContact O-CG2 3.37Å; R329-V333 PolarHBondContact O-N 2.89Å; R329-V333 VanDerWaalsContact O-N 3.09Å |
| 330 | R | 89 | Confident | 90 | Very high | 164 Ų | 164 | 111 Ų | 111 | 62% | 0.619 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -45.1 | 172.4 | -69.5 | 177.4 | -170.5 | -161.4 | 3.1 | 111.2 | E326 K327 T332 V333 E334 | E326-R330 WeakPolarHBondContact O-CG 3.37Å; E326-R330 PolarHBondContact O-N 3.23Å; E326-R330 IonicContact OE1-CZ 3.12Å; E326-R330 IonicContact OE1-NE 2.75Å; E326-R330 PolarHBondContact OE1-NE 2.71Å; E326-R330 IonicContact OE1-NH2 2.7Å; E326-R330 PolarHBondContact OE1-NH2 3.1Å; K327-R330 PolarHBondContact O-N 2.66Å; R330-T332 VanDerWaalsContact C-N 3.29Å; R330-T332 PolarHBondContact O-N 3.37Å; R330-V333 PolarHBondContact O-N 3.48Å; R330-E334 VanDerWaalsContact O-CB 3.28Å; R330-E334 WeakPolarHBondContact O-CB 3.15Å; R330-E334 PolarHBondContact O-N 3.34Å |
| 331 | E | 89.8 | Confident | 90.4 | Very high | 65 Ų | 65 | 111.8 Ų | 111.8 | 30% | 0.304 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -32.7 | 176.2 | -72.6 | 172.9 | -158.8 | 0 | 0 | 113.2 | K327 K328 R335 | K327-E331 IonicContact NZ-OE1 2.66Å; K327-E331 PolarHBondContact NZ-OE1 2.95Å; K327-E331 WeakPolarHBondContact O-CG 3.3Å; K327-E331 PolarHBondContact O-N 3.26Å; K328-E331 PolarHBondContact O-N 2.89Å; E331-R335 WeakPolarHBondContact O-CD 3.34Å; E331-R335 VanDerWaalsContact O-CG 3.25Å; E331-R335 WeakPolarHBondContact O-CG 3.24Å; E331-R335 PolarHBondContact O-N 3.48Å |
| 332 | T | 91.7 | Very high | 90.6 | Very high | 66 Ų | 66 | 114.1 Ų | 114.1 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74 | -47.4 | 173 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | K328 R329 R330 E334 R335 E336 | K328-T332 PolarHBondContact O-N 2.74Å; K328-T332 PolarHBondContact O-OG1 2.9Å; R329-T332 PolarHBondContact O-OG1 3.28Å; R330-T332 VanDerWaalsContact C-N 3.29Å; R330-T332 PolarHBondContact O-N 3.37Å; T332-E334 VanDerWaalsContact C-N 3.27Å; T332-E334 PolarHBondContact O-N 2.98Å; T332-R335 PolarHBondContact O-N 3.08Å; T332-R335 VanDerWaalsContact O-N 3.17Å; T332-E336 WeakPolarHBondContact O-CG 3.14Å; T332-E336 PolarHBondContact O-N 3.17Å |
| 333 | V | 91.8 | Very high | 90.8 | Very high | 81 Ų | 81 | 112.2 Ų | 112.2 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -34.2 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | R329 R330 K337 | R329-V333 WeakPolarHBondContact O-CG2 3.37Å; R329-V333 PolarHBondContact O-N 2.89Å; R329-V333 VanDerWaalsContact O-N 3.09Å; R330-V333 PolarHBondContact O-N 3.48Å; V333-K337 VanDerWaalsContact O-CB 3.23Å; V333-K337 WeakPolarHBondContact O-CB 3.48Å; V333-K337 PolarHBondContact O-N 3.04Å |
| 334 | E | 89.4 | Confident | 91 | Very high | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 175 | -173.2 | 160.1 | -128.7 | 0 | 0 | 111.9 | R330 T332 K337 E338 | R330-E334 VanDerWaalsContact O-CB 3.28Å; R330-E334 WeakPolarHBondContact O-CB 3.15Å; R330-E334 PolarHBondContact O-N 3.34Å; T332-E334 VanDerWaalsContact C-N 3.27Å; T332-E334 PolarHBondContact O-N 2.98Å; E334-K337 PolarHBondContact O-N 3.12Å; E334-E338 PolarHBondContact O-N 3.26Å |
| 335 | R | 91.9 | Very high | 91.3 | Very high | 163 Ų | 163 | 113.3 Ų | 113.3 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | 174.2 | -70.4 | 171.8 | -167.5 | 172 | 10 | 112.9 | E331 T332 K337 E338 Q339 | E331-R335 WeakPolarHBondContact O-CD 3.34Å; E331-R335 VanDerWaalsContact O-CG 3.25Å; E331-R335 WeakPolarHBondContact O-CG 3.24Å; E331-R335 PolarHBondContact O-N 3.48Å; T332-R335 PolarHBondContact O-N 3.08Å; T332-R335 VanDerWaalsContact O-N 3.17Å; R335-K337 VanDerWaalsContact C-N 3.29Å; R335-K337 PolarHBondContact O-N 2.83Å; R335-E338 PolarHBondContact O-N 2.84Å; R335-Q339 WeakPolarHBondContact O-CB 3.38Å; R335-Q339 PolarHBondContact O-N 3.27Å |
| 336 | E | 92.7 | Very high | 91.5 | Very high | 109 Ų | 109 | 113.8 Ų | 113.8 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 174.2 | -72.8 | 166 | -175 | 0 | 0 | 110.8 | T332 Q339 M340 | T332-E336 WeakPolarHBondContact O-CG 3.14Å; T332-E336 PolarHBondContact O-N 3.17Å; E336-Q339 PolarHBondContact O-N 3.27Å; E336-M340 WeakPolarHBondContact O-CB 3.36Å; E336-M340 WeakPolarHBondContact O-CG 3.36Å; E336-M340 PolarHBondContact O-N 3.39Å |
| 337 | K | 92.2 | Very high | 91.7 | Very high | 136 Ų | 136 | 115 Ų | 115 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 174.3 | -176.9 | -173.4 | 174 | -167.3 | 0 | 112.5 | V333 E334 R335 Q339 M341 | V333-K337 VanDerWaalsContact O-CB 3.23Å; V333-K337 WeakPolarHBondContact O-CB 3.48Å; V333-K337 PolarHBondContact O-N 3.04Å; E334-K337 PolarHBondContact O-N 3.12Å; R335-K337 VanDerWaalsContact C-N 3.29Å; R335-K337 PolarHBondContact O-N 2.83Å; K337-Q339 VanDerWaalsContact C-N 3.33Å; K337-M341 WeakPolarHBondContact O-CB 3.49Å; K337-M341 VanDerWaalsContact O-CG 3.26Å; K337-M341 WeakPolarHBondContact O-CG 3.4Å; K337-M341 PolarHBondContact O-N 2.77Å |
| 338 | E | 92 | Very high | 91.9 | Very high | 99 Ų | 99 | 113.4 Ų | 113.4 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 172.6 | -83.1 | -164.8 | -158.5 | 0 | 0 | 111.9 | E334 R335 M341 R342 | E334-E338 PolarHBondContact O-N 3.26Å; R335-E338 PolarHBondContact O-N 2.84Å; E338-M341 PolarHBondContact O-N 3.17Å; E338-R342 WeakPolarHBondContact O-CG 3.5Å; E338-R342 PolarHBondContact O-N 2.79Å; E338-R342 VanDerWaalsContact O-N 3.09Å; E338-R342 IonicContact OE2-CZ 3.55Å; E338-R342 IonicContact OE2-NH2 3.94Å; E338-R342 PolarHBondContact OE2-NH2 3.48Å |
| 339 | Q | 92.9 | Very high | 92.2 | Very high | 115 Ų | 115 | 112.9 Ų | 112.9 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -50.1 | 177.9 | -179.1 | 175.4 | -23.6 | 0 | 0 | 111.1 | R335 E336 K337 M341 R342 E343 | R335-Q339 WeakPolarHBondContact O-CB 3.38Å; R335-Q339 PolarHBondContact O-N 3.27Å; E336-Q339 PolarHBondContact O-N 3.27Å; K337-Q339 VanDerWaalsContact C-N 3.33Å; Q339-M341 PolarHBondContact O-N 2.98Å; Q339-R342 PolarHBondContact O-N 3.07Å; Q339-R342 VanDerWaalsContact O-N 3.1Å; Q339-E343 HydrophobicContact CG-CG 4.4Å; Q339-E343 VanDerWaalsContact CG-OE1 3.29Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.38Å; Q339-E343 PolarHBondContact NE2-OE1 3.2Å; Q339-E343 WeakPolarHBondContact O-CG 3.49Å; Q339-E343 PolarHBondContact O-N 3.19Å |
| 340 | M | 92.8 | Very high | 92.4 | Very high | 119 Ų | 119 | 111.3 Ų | 111.3 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -32.7 | 176.2 | -74.6 | -170.9 | -69.4 | 0 | 0 | 113 | E336 K344 | E336-M340 WeakPolarHBondContact O-CB 3.36Å; E336-M340 WeakPolarHBondContact O-CG 3.36Å; E336-M340 PolarHBondContact O-N 3.39Å; M340-K344 WeakPolarHBondContact O-CB 3.28Å; M340-K344 PolarHBondContact O-N 3.45Å |
| 341 | M | 91.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 108.7 Ų | 108.7 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 173.5 | -79.1 | -70.7 | -60.9 | 0 | 0 | 111.6 | K337 E338 Q339 K344 E345 | K337-M341 WeakPolarHBondContact O-CB 3.49Å; K337-M341 VanDerWaalsContact O-CG 3.26Å; K337-M341 WeakPolarHBondContact O-CG 3.4Å; K337-M341 PolarHBondContact O-N 2.77Å; E338-M341 PolarHBondContact O-N 3.17Å; Q339-M341 PolarHBondContact O-N 2.98Å; M341-K344 WeakPolarHBondContact O-CB 3.1Å; M341-K344 PolarHBondContact O-N 2.95Å; M341-E345 WeakPolarHBondContact O-CG 3.38Å; M341-E345 PolarHBondContact O-N 3.04Å |
| 342 | R | 93.3 | Very high | 92.5 | Very high | 150 Ų | 150 | 111.1 Ų | 111.1 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 177.3 | -63.9 | 172.6 | -157.2 | -161.7 | 7.9 | 111.9 | E338 Q339 K344 E345 E346 | E338-R342 WeakPolarHBondContact O-CG 3.5Å; E338-R342 PolarHBondContact O-N 2.79Å; E338-R342 VanDerWaalsContact O-N 3.09Å; E338-R342 IonicContact OE2-CZ 3.55Å; E338-R342 IonicContact OE2-NH2 3.94Å; E338-R342 PolarHBondContact OE2-NH2 3.48Å; Q339-R342 PolarHBondContact O-N 3.07Å; Q339-R342 VanDerWaalsContact O-N 3.1Å; R342-K344 VanDerWaalsContact C-N 3.3Å; R342-K344 PolarHBondContact O-N 3.07Å; R342-E345 PolarHBondContact O-N 3.02Å; R342-E345 VanDerWaalsContact O-N 3.17Å; R342-E346 PolarHBondContact O-N 2.98Å |
| 343 | E | 93.3 | Very high | 92.6 | Very high | 93 Ų | 93 | 111.1 Ų | 111.1 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 175.7 | -71.3 | 174.6 | -172.5 | 0 | 0 | 111.8 | Q339 L347 | Q339-E343 HydrophobicContact CG-CG 4.4Å; Q339-E343 VanDerWaalsContact CG-OE1 3.29Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.38Å; Q339-E343 PolarHBondContact NE2-OE1 3.2Å; Q339-E343 WeakPolarHBondContact O-CG 3.49Å; Q339-E343 PolarHBondContact O-N 3.19Å; E343-L347 WeakPolarHBondContact O-CB 3.46Å; E343-L347 WeakPolarHBondContact O-CG 3.4Å; E343-L347 PolarHBondContact O-N 3.37Å |
| 344 | K | 92.4 | Very high | 92.5 | Very high | 122 Ų | 122 | 114.3 Ų | 114.3 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 172.8 | 179.6 | -173.9 | 174.1 | -171.3 | 0 | 112.4 | M340 M341 R342 L347 M348 | M340-K344 WeakPolarHBondContact O-CB 3.28Å; M340-K344 PolarHBondContact O-N 3.45Å; M341-K344 WeakPolarHBondContact O-CB 3.1Å; M341-K344 PolarHBondContact O-N 2.95Å; R342-K344 VanDerWaalsContact C-N 3.3Å; R342-K344 PolarHBondContact O-N 3.07Å; K344-L347 PolarHBondContact O-N 3.31Å; K344-M348 WeakPolarHBondContact O-CG 3.27Å; K344-M348 PolarHBondContact O-N 3.1Å |
| 345 | E | 92.6 | Very high | 92.5 | Very high | 97 Ų | 97 | 113.4 Ų | 113.4 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.4 | -75.1 | 168.1 | -179.6 | 0 | 0 | 111.2 | M341 R342 L347 M348 L349 | M341-E345 WeakPolarHBondContact O-CG 3.38Å; M341-E345 PolarHBondContact O-N 3.04Å; R342-E345 PolarHBondContact O-N 3.02Å; R342-E345 VanDerWaalsContact O-N 3.17Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-L347 PolarHBondContact O-N 3.33Å; E345-M348 HydrophobicContact CG-CE 4.28Å; E345-M348 PolarHBondContact O-N 3.12Å; E345-L349 WeakPolarHBondContact O-CG 3.33Å; E345-L349 PolarHBondContact O-N 2.86Å |
| 346 | E | 94.3 | Very high | 92.5 | Very high | 104 Ų | 104 | 112.5 Ų | 112.5 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 171.3 | -76.8 | -165.7 | -146.8 | 0 | 0 | 112.7 | R342 L349 R350 | R342-E346 PolarHBondContact O-N 2.98Å; E346-L349 PolarHBondContact O-N 2.65Å; E346-R350 WeakPolarHBondContact O-CG 3.25Å; E346-R350 PolarHBondContact O-N 3.4Å; E346-R350 IonicContact OE2-CZ 2.69Å; E346-R350 IonicContact OE2-NH2 2.69Å; E346-R350 PolarHBondContact OE2-NH2 2.75Å |
| 347 | L | 94.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 112.7 Ų | 112.7 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 177 | -83.5 | 163.4 | 0 | 0 | 0 | 112.3 | E343 K344 E345 R350 L351 | E343-L347 WeakPolarHBondContact O-CB 3.46Å; E343-L347 WeakPolarHBondContact O-CG 3.4Å; E343-L347 PolarHBondContact O-N 3.37Å; K344-L347 PolarHBondContact O-N 3.31Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-L347 PolarHBondContact O-N 3.33Å; L347-R350 PolarHBondContact O-N 3.06Å; L347-L351 WeakPolarHBondContact O-CB 3.46Å; L347-L351 WeakPolarHBondContact O-CG 3.47Å; L347-L351 PolarHBondContact O-N 3.14Å |
| 348 | M | 92.9 | Very high | 92.2 | Very high | 91 Ų | 91 | 109.9 Ų | 109.9 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.1 | -74.2 | -168.7 | -56.6 | 0 | 0 | 111.9 | K344 E345 R350 L351 Q352 | K344-M348 WeakPolarHBondContact O-CG 3.27Å; K344-M348 PolarHBondContact O-N 3.1Å; E345-M348 HydrophobicContact CG-CE 4.28Å; E345-M348 PolarHBondContact O-N 3.12Å; M348-R350 VanDerWaalsContact C-N 3.34Å; M348-R350 PolarHBondContact O-N 2.91Å; M348-L351 PolarHBondContact O-N 2.89Å; M348-Q352 WeakPolarHBondContact O-CG 3.36Å; M348-Q352 PolarHBondContact O-N 2.78Å |
| 349 | L | 94.6 | Very high | 92.1 | Very high | 112 Ų | 112 | 109.3 Ų | 109.3 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | 176.8 | -70.2 | 169.6 | 0 | 0 | 0 | 111.8 | E345 E346 Q352 D353 | E345-L349 WeakPolarHBondContact O-CG 3.33Å; E345-L349 PolarHBondContact O-N 2.86Å; E346-L349 PolarHBondContact O-N 2.65Å; L349-Q352 PolarHBondContact O-N 2.82Å; L349-D353 PolarHBondContact O-N 3.42Å; L349-D353 VanDerWaalsContact O-N 3.08Å |
| 350 | R | 94.1 | Very high | 92.1 | Very high | 138 Ų | 138 | 109.6 Ų | 109.6 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 173.8 | -67.6 | 174.9 | -158.7 | -179 | 9 | 112 | E346 L347 M348 Q352 D353 Y354 | E346-R350 WeakPolarHBondContact O-CG 3.25Å; E346-R350 PolarHBondContact O-N 3.4Å; E346-R350 IonicContact OE2-CZ 2.69Å; E346-R350 IonicContact OE2-NH2 2.69Å; E346-R350 PolarHBondContact OE2-NH2 2.75Å; L347-R350 PolarHBondContact O-N 3.06Å; M348-R350 VanDerWaalsContact C-N 3.34Å; M348-R350 PolarHBondContact O-N 2.91Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 3.47Å; R350-D353 PolarHBondContact O-N 3.06Å; R350-Y354 WeakPolarHBondContact O-CD2 3.45Å; R350-Y354 PolarHBondContact O-N 3.49Å |
| 351 | L | 90.5 | Very high | 91.9 | Very high | 109 Ų | 109 | 106.5 Ų | 106.5 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 176.1 | -74.7 | 169 | 0 | 0 | 0 | 112.2 | L347 M348 Y354 E355 | L347-L351 WeakPolarHBondContact O-CB 3.46Å; L347-L351 WeakPolarHBondContact O-CG 3.47Å; L347-L351 PolarHBondContact O-N 3.14Å; M348-L351 PolarHBondContact O-N 2.89Å; L351-Y354 PolarHBondContact O-N 2.64Å; L351-E355 PolarHBondContact O-N 3.23Å |
| 352 | Q | 91.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 108 Ų | 108 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 173.6 | -73.6 | 174.2 | -14.7 | 0 | 0 | 111.9 | M348 L349 R350 Y354 E355 E356 | M348-Q352 WeakPolarHBondContact O-CG 3.36Å; M348-Q352 PolarHBondContact O-N 2.78Å; L349-Q352 PolarHBondContact O-N 2.82Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 3.47Å; Q352-Y354 PolarHBondContact O-N 3.02Å; Q352-E355 PolarHBondContact O-N 3.44Å; Q352-E356 PolarHBondContact O-N 2.81Å |
| 353 | D | 92.6 | Very high | 91.5 | Very high | 65 Ų | 65 | 109 Ų | 109 | 35% | 0.348 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 173.5 | 168.1 | 74.2 | 0 | 0 | 0 | 112.5 | L349 R350 E356 K357 | L349-D353 PolarHBondContact O-N 3.42Å; L349-D353 VanDerWaalsContact O-N 3.08Å; R350-D353 PolarHBondContact O-N 3.06Å; D353-E356 PolarHBondContact O-N 3.41Å; D353-K357 WeakPolarHBondContact O-CB 3.41Å; D353-K357 WeakPolarHBondContact O-CD 3.45Å; D353-K357 VanDerWaalsContact O-CG 3.27Å; D353-K357 WeakPolarHBondContact O-CG 3.17Å; D353-K357 PolarHBondContact O-N 3.45Å; D353-K357 WeakPolarHBondContact OD1-CE 3.04Å; D353-K357 IonicContact OD1-NZ 2.75Å; D353-K357 PolarHBondContact OD1-NZ 2.84Å; D353-K357 IonicContact OD2-NZ 3.47Å; D353-K357 PolarHBondContact OD2-NZ 2.82Å |
| 354 | Y | 90.2 | Very high | 91.3 | Very high | 148 Ų | 148 | 108.8 Ų | 108.8 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 172.7 | -77 | -60.3 | 0 | 0 | 0 | 112.9 | R350 L351 Q352 T358 | R350-Y354 WeakPolarHBondContact O-CD2 3.45Å; R350-Y354 PolarHBondContact O-N 3.49Å; L351-Y354 PolarHBondContact O-N 2.64Å; Q352-Y354 PolarHBondContact O-N 3.02Å; Y354-T358 WeakPolarHBondContact O-CB 3.48Å; Y354-T358 PolarHBondContact O-N 3.4Å; Y354-T358 PolarHBondContact O-OG1 2.83Å |
| 355 | E | 89.1 | Confident | 91.1 | Very high | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.6 | -87.9 | -165.6 | -148.4 | 0 | 0 | 112 | L351 Q352 T358 K359 | L351-E355 PolarHBondContact O-N 3.23Å; Q352-E355 PolarHBondContact O-N 3.44Å; E355-T358 PolarHBondContact O-N 3.22Å; E355-K359 WeakPolarHBondContact O-CB 3.36Å; E355-K359 WeakPolarHBondContact O-CD 3.48Å; E355-K359 VanDerWaalsContact O-CG 3.22Å; E355-K359 WeakPolarHBondContact O-CG 3.05Å; E355-K359 PolarHBondContact O-N 3.34Å; E355-K359 IonicContact OE2-NZ 2.69Å; E355-K359 PolarHBondContact OE2-NZ 3.06Å |
| 356 | E | 92 | Very high | 91 | Very high | 144 Ų | 144 | 105.9 Ų | 105.9 | 67% | 0.673 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 177.4 | -72.7 | -163.4 | 161 | 0 | 0 | 111.8 | Q352 D353 T358 K359 K360 | Q352-E356 PolarHBondContact O-N 2.81Å; D353-E356 PolarHBondContact O-N 3.41Å; E356-T358 VanDerWaalsContact C-N 3.34Å; E356-T358 PolarHBondContact O-N 3.15Å; E356-K359 PolarHBondContact O-N 2.96Å; E356-K360 VanDerWaalsContact O-CB 3.28Å; E356-K360 WeakPolarHBondContact O-CB 3.47Å; E356-K360 PolarHBondContact O-N 3.47Å |
| 357 | K | 91.1 | Very high | 90.8 | Very high | 112 Ų | 112 | 105.2 Ų | 105.2 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 173.9 | -76.2 | 166.2 | 177.9 | 162.4 | 0 | 112.1 | D353 K360 A361 | D353-K357 WeakPolarHBondContact O-CB 3.41Å; D353-K357 WeakPolarHBondContact O-CD 3.45Å; D353-K357 VanDerWaalsContact O-CG 3.27Å; D353-K357 WeakPolarHBondContact O-CG 3.17Å; D353-K357 PolarHBondContact O-N 3.45Å; D353-K357 WeakPolarHBondContact OD1-CE 3.04Å; D353-K357 IonicContact OD1-NZ 2.75Å; D353-K357 PolarHBondContact OD1-NZ 2.84Å; D353-K357 IonicContact OD2-NZ 3.47Å; D353-K357 PolarHBondContact OD2-NZ 2.82Å; K357-K360 PolarHBondContact O-N 3.01Å; K357-A361 WeakPolarHBondContact O-CB 3.45Å; K357-A361 PolarHBondContact O-N 3.24Å |
| 358 | T | 87.6 | Confident | 90.4 | Very high | 77 Ų | 77 | 106.5 Ų | 106.5 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -51.1 | 177 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | Y354 E355 E356 K360 A361 E362 | Y354-T358 WeakPolarHBondContact O-CB 3.48Å; Y354-T358 PolarHBondContact O-N 3.4Å; Y354-T358 PolarHBondContact O-OG1 2.83Å; E355-T358 PolarHBondContact O-N 3.22Å; E356-T358 VanDerWaalsContact C-N 3.34Å; E356-T358 PolarHBondContact O-N 3.15Å; T358-K360 PolarHBondContact O-N 2.77Å; T358-A361 PolarHBondContact O-N 3.24Å; T358-A361 VanDerWaalsContact O-N 3.08Å; T358-E362 HydrophobicContact CG2-CG 4.47Å; T358-E362 WeakPolarHBondContact O-CG 3.49Å; T358-E362 PolarHBondContact O-N 2.89Å |
| 359 | K | 91.2 | Very high | 90.2 | Very high | 87 Ų | 87 | 106.5 Ų | 106.5 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -30.6 | 176.8 | -69.5 | 162.5 | -168.1 | 165.9 | 0 | 112.8 | E355 E356 R363 | E355-K359 WeakPolarHBondContact O-CB 3.36Å; E355-K359 WeakPolarHBondContact O-CD 3.48Å; E355-K359 VanDerWaalsContact O-CG 3.22Å; E355-K359 WeakPolarHBondContact O-CG 3.05Å; E355-K359 PolarHBondContact O-N 3.34Å; E355-K359 IonicContact OE2-NZ 2.69Å; E355-K359 PolarHBondContact OE2-NZ 3.06Å; E356-K359 PolarHBondContact O-N 2.96Å; K359-R363 WeakPolarHBondContact O-CD 3.46Å; K359-R363 VanDerWaalsContact O-CG 3.23Å; K359-R363 WeakPolarHBondContact O-CG 3.39Å; K359-R363 PolarHBondContact O-N 2.98Å |
| 360 | K | 91.4 | Very high | 89.9 | Confident | 121 Ų | 121 | 106.9 Ų | 106.9 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.3 | -45.8 | 173.3 | -174.1 | 171.9 | -178.3 | -69.9 | 0 | 111.5 | E356 K357 T358 R363 E364 | E356-K360 VanDerWaalsContact O-CB 3.28Å; E356-K360 WeakPolarHBondContact O-CB 3.47Å; E356-K360 PolarHBondContact O-N 3.47Å; K357-K360 PolarHBondContact O-N 3.01Å; T358-K360 PolarHBondContact O-N 2.77Å; K360-R363 PolarHBondContact O-N 2.89Å; K360-E364 WeakPolarHBondContact CE-OE1 3.49Å; K360-E364 IonicContact NZ-OE1 3.58Å; K360-E364 PolarHBondContact NZ-OE1 3.38Å; K360-E364 WeakPolarHBondContact O-CG 3.17Å; K360-E364 PolarHBondContact O-N 2.96Å |
| 361 | A | 88.5 | Confident | 89.7 | Confident | 55 Ų | 55 | 107 Ų | 107 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K357 T358 E364 L365 | K357-A361 WeakPolarHBondContact O-CB 3.45Å; K357-A361 PolarHBondContact O-N 3.24Å; T358-A361 PolarHBondContact O-N 3.24Å; T358-A361 VanDerWaalsContact O-N 3.08Å; A361-E364 PolarHBondContact O-N 3.09Å; A361-L365 VanDerWaalsContact O-CB 3.25Å; A361-L365 WeakPolarHBondContact O-CB 3.03Å; A361-L365 PolarHBondContact O-N 3.22Å |
| 362 | E | 86.2 | Confident | 89.4 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 173.5 | -72.9 | 174.2 | 154.3 | 0 | 0 | 112.2 | T358 S366 | T358-E362 HydrophobicContact CG2-CG 4.47Å; T358-E362 WeakPolarHBondContact O-CG 3.49Å; T358-E362 PolarHBondContact O-N 2.89Å; E362-S366 VanDerWaalsContact O-CB 3.29Å; E362-S366 WeakPolarHBondContact O-CB 3.29Å; E362-S366 PolarHBondContact O-N 2.8Å |
| 363 | R | 90.8 | Very high | 89.4 | Confident | 173 Ų | 173 | 103.9 Ų | 103.9 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.2 | -47.4 | 174.2 | -72 | 168 | -170.2 | 176.8 | 4.4 | 111.7 | K359 K360 L365 S366 E367 | K359-R363 WeakPolarHBondContact O-CD 3.46Å; K359-R363 VanDerWaalsContact O-CG 3.23Å; K359-R363 WeakPolarHBondContact O-CG 3.39Å; K359-R363 PolarHBondContact O-N 2.98Å; K360-R363 PolarHBondContact O-N 2.89Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.33Å; R363-S366 PolarHBondContact O-N 3.48Å; R363-S366 VanDerWaalsContact O-N 3.17Å; R363-E367 PolarHBondContact O-N 3.36Å |
| 364 | E | 89.9 | Confident | 89.1 | Confident | 87 Ų | 87 | 106.5 Ų | 106.5 | 41% | 0.407 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 178.3 | -74.3 | 171.9 | -171.8 | 0 | 0 | 112 | K360 A361 Q368 | K360-E364 WeakPolarHBondContact CE-OE1 3.49Å; K360-E364 IonicContact NZ-OE1 3.58Å; K360-E364 PolarHBondContact NZ-OE1 3.38Å; K360-E364 WeakPolarHBondContact O-CG 3.17Å; K360-E364 PolarHBondContact O-N 2.96Å; A361-E364 PolarHBondContact O-N 3.09Å; E364-Q368 WeakPolarHBondContact O-CB 3.32Å; E364-Q368 VanDerWaalsContact O-CG 3.27Å; E364-Q368 WeakPolarHBondContact O-CG 3.26Å; E364-Q368 PolarHBondContact O-N 3.34Å |
| 365 | L | 88.1 | Confident | 88.9 | Confident | 97 Ų | 97 | 104.8 Ų | 104.8 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 173.1 | -179.5 | 61.4 | 0 | 0 | 0 | 111.9 | A361 R363 Q368 I369 | A361-L365 VanDerWaalsContact O-CB 3.25Å; A361-L365 WeakPolarHBondContact O-CB 3.03Å; A361-L365 PolarHBondContact O-N 3.22Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.33Å; L365-Q368 PolarHBondContact O-N 2.72Å; L365-I369 HydrophobicContact CD1-CD1 4.23Å; L365-I369 HydrophobicContact CD1-CG1 4.45Å; L365-I369 HydrophobicContact CG-CD1 4.01Å; L365-I369 VanDerWaalsContact O-CG1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 3.27Å |
| 366 | S | 89.4 | Confident | 88.6 | Confident | 62 Ų | 62 | 105.5 Ų | 105.5 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | E362 R363 I369 Q370 | E362-S366 VanDerWaalsContact O-CB 3.29Å; E362-S366 WeakPolarHBondContact O-CB 3.29Å; E362-S366 PolarHBondContact O-N 2.8Å; R363-S366 PolarHBondContact O-N 3.48Å; R363-S366 VanDerWaalsContact O-N 3.17Å; S366-I369 PolarHBondContact O-N 3.17Å; S366-Q370 WeakPolarHBondContact O-CG 3.24Å; S366-Q370 PolarHBondContact O-N 3.19Å |
| 367 | E | 90.8 | Very high | 88.4 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 171.8 | -75.6 | -172.7 | -137.5 | 0 | 0 | 112.2 | R363 Q370 R371 | R363-E367 PolarHBondContact O-N 3.36Å; E367-Q370 PolarHBondContact O-N 3.32Å; E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 VanDerWaalsContact O-CG 3.23Å; E367-R371 WeakPolarHBondContact O-CG 3.48Å; E367-R371 PolarHBondContact O-N 3.37Å; E367-R371 IonicContact OE2-CZ 3.23Å; E367-R371 IonicContact OE2-NH2 3.69Å; E367-R371 PolarHBondContact OE2-NH2 2.82Å |
| 368 | Q | 86.8 | Confident | 88.1 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 175.7 | -76.5 | 175.3 | 27 | 0 | 0 | 111.9 | E364 L365 R371 A372 | E364-Q368 WeakPolarHBondContact O-CB 3.32Å; E364-Q368 VanDerWaalsContact O-CG 3.27Å; E364-Q368 WeakPolarHBondContact O-CG 3.26Å; E364-Q368 PolarHBondContact O-N 3.34Å; L365-Q368 PolarHBondContact O-N 2.72Å; Q368-R371 PolarHBondContact O-N 3.26Å; Q368-A372 VanDerWaalsContact O-CB 3.3Å; Q368-A372 WeakPolarHBondContact O-CB 3.36Å; Q368-A372 PolarHBondContact O-N 3.19Å |
| 369 | I | 88.4 | Confident | 88 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 175.5 | -69.6 | 164.4 | 0 | 0 | 0 | 110.7 | L365 S366 A372 L373 | L365-I369 HydrophobicContact CD1-CD1 4.23Å; L365-I369 HydrophobicContact CD1-CG1 4.45Å; L365-I369 HydrophobicContact CG-CD1 4.01Å; L365-I369 VanDerWaalsContact O-CG1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 3.27Å; S366-I369 PolarHBondContact O-N 3.17Å; I369-A372 PolarHBondContact O-N 3.27Å; I369-L373 HydrophobicContact CG2-CD1 4.06Å; I369-L373 WeakPolarHBondContact O-CG 3.35Å; I369-L373 PolarHBondContact O-N 3.4Å |
| 370 | Q | 88.9 | Confident | 87.7 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 176.3 | -75.2 | -173.5 | -13.8 | 0 | 0 | 112.5 | S366 E367 L373 Q374 | S366-Q370 WeakPolarHBondContact O-CG 3.24Å; S366-Q370 PolarHBondContact O-N 3.19Å; E367-Q370 PolarHBondContact O-N 3.32Å; Q370-L373 PolarHBondContact O-N 3.43Å; Q370-Q374 WeakPolarHBondContact O-CG 3.25Å; Q370-Q374 PolarHBondContact O-N 2.75Å |
| 371 | R | 89.1 | Confident | 87.4 | Confident | 140 Ų | 140 | 110.8 Ų | 110.8 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 176.2 | -67 | 172.9 | -156.5 | -166.5 | 8.6 | 112 | E367 Q368 Q374 L375 | E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 VanDerWaalsContact O-CG 3.23Å; E367-R371 WeakPolarHBondContact O-CG 3.48Å; E367-R371 PolarHBondContact O-N 3.37Å; E367-R371 IonicContact OE2-CZ 3.23Å; E367-R371 IonicContact OE2-NH2 3.69Å; E367-R371 PolarHBondContact OE2-NH2 2.82Å; Q368-R371 PolarHBondContact O-N 3.26Å; R371-Q374 PolarHBondContact O-N 2.81Å; R371-L375 WeakPolarHBondContact O-CB 3.44Å; R371-L375 VanDerWaalsContact O-CG 3.29Å; R371-L375 WeakPolarHBondContact O-CG 3.31Å; R371-L375 PolarHBondContact O-N 3.33Å |
| 372 | A | 85.3 | Confident | 87.1 | Confident | 56 Ų | 56 | 111 Ų | 111 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q368 I369 L375 E376 | Q368-A372 VanDerWaalsContact O-CB 3.3Å; Q368-A372 WeakPolarHBondContact O-CB 3.36Å; Q368-A372 PolarHBondContact O-N 3.19Å; I369-A372 PolarHBondContact O-N 3.27Å; A372-L375 PolarHBondContact O-N 3.25Å; A372-E376 WeakPolarHBondContact O-CB 3.39Å; A372-E376 PolarHBondContact O-N 3.05Å |
| 373 | L | 89.6 | Confident | 86.8 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.8 | -72.2 | 166.8 | 0 | 0 | 0 | 112.2 | I369 Q370 E376 E377 | I369-L373 HydrophobicContact CG2-CD1 4.06Å; I369-L373 WeakPolarHBondContact O-CG 3.35Å; I369-L373 PolarHBondContact O-N 3.4Å; Q370-L373 PolarHBondContact O-N 3.43Å; L373-E376 PolarHBondContact O-N 3.43Å; L373-E377 PolarHBondContact O-N 2.97Å |
| 374 | Q | 87.9 | Confident | 86.5 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 174.6 | -75 | 173.2 | -21.9 | 0 | 0 | 111.8 | Q370 R371 E376 E377 E378 | Q370-Q374 WeakPolarHBondContact O-CG 3.25Å; Q370-Q374 PolarHBondContact O-N 2.75Å; R371-Q374 PolarHBondContact O-N 2.81Å; Q374-E376 VanDerWaalsContact C-N 3.33Å; Q374-E376 PolarHBondContact O-N 2.94Å; Q374-E377 PolarHBondContact O-N 3.04Å; Q374-E378 WeakPolarHBondContact O-CG 3.35Å; Q374-E378 PolarHBondContact O-N 2.6Å |
| 375 | L | 85.4 | Confident | 86.1 | Confident | 111 Ų | 111 | 106 Ų | 106 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -33.6 | 177.2 | -71.9 | 168.5 | 0 | 0 | 0 | 112.5 | R371 A372 R379 | R371-L375 WeakPolarHBondContact O-CB 3.44Å; R371-L375 VanDerWaalsContact O-CG 3.29Å; R371-L375 WeakPolarHBondContact O-CG 3.31Å; R371-L375 PolarHBondContact O-N 3.33Å; A372-L375 PolarHBondContact O-N 3.25Å; L375-R379 WeakPolarHBondContact O-CB 3.48Å; L375-R379 PolarHBondContact O-N 3.3Å |
| 376 | E | 83 | Confident | 85.7 | Confident | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 173.3 | -175.4 | 167.5 | -152.4 | 0 | 0 | 111.6 | A372 L373 Q374 R379 K380 | A372-E376 WeakPolarHBondContact O-CB 3.39Å; A372-E376 PolarHBondContact O-N 3.05Å; L373-E376 PolarHBondContact O-N 3.43Å; Q374-E376 VanDerWaalsContact C-N 3.33Å; Q374-E376 PolarHBondContact O-N 2.94Å; E376-R379 PolarHBondContact O-N 2.77Å; E376-K380 WeakPolarHBondContact O-CB 3.27Å; E376-K380 PolarHBondContact O-N 3.16Å |
| 377 | E | 86.7 | Confident | 85.4 | Confident | 102 Ų | 102 | 106.2 Ų | 106.2 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 175.4 | -159.4 | -172.3 | 163.2 | 0 | 0 | 112 | L373 Q374 K380 R381 | L373-E377 PolarHBondContact O-N 2.97Å; Q374-E377 PolarHBondContact O-N 3.04Å; E377-K380 PolarHBondContact O-N 2.72Å; E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-N 2.91Å; E377-R381 IonicContact OE1-CZ 3.76Å; E377-R381 IonicContact OE1-NE 2.77Å; E377-R381 PolarHBondContact OE1-NE 2.81Å; E377-R381 IonicContact OE1-NH2 3.57Å; E377-R381 PolarHBondContact OE1-NH2 3.48Å; E377-R381 IonicContact OE2-NH2 2.66Å |
| 378 | E | 85.1 | Confident | 85.2 | Confident | 120 Ų | 120 | 108 Ų | 108 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 172.5 | -74.7 | -177.2 | 167.2 | 0 | 0 | 111.7 | Q374 K380 R381 A382 | Q374-E378 WeakPolarHBondContact O-CG 3.35Å; Q374-E378 PolarHBondContact O-N 2.6Å; E378-K380 VanDerWaalsContact C-N 3.3Å; E378-K380 PolarHBondContact O-N 3.16Å; E378-R381 PolarHBondContact O-N 2.93Å; E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 2.78Å |
| 379 | R | 84.9 | Confident | 85 | Confident | 160 Ų | 160 | 106.8 Ų | 106.8 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 175.4 | -165 | -153.6 | 110.2 | -170.3 | 3.9 | 111.4 | L375 E376 A382 Q383 | L375-R379 WeakPolarHBondContact O-CB 3.48Å; L375-R379 PolarHBondContact O-N 3.3Å; E376-R379 PolarHBondContact O-N 2.77Å; R379-A382 PolarHBondContact O-N 2.74Å; R379-Q383 VanDerWaalsContact O-CB 3.31Å; R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 2.79Å |
| 380 | K | 85.3 | Confident | 84.6 | Confident | 120 Ų | 120 | 108 Ų | 108 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 178.4 | -173.3 | 171.8 | -177.5 | -68.2 | 0 | 111.4 | E376 E377 E378 A382 Q383 E384 | E376-K380 WeakPolarHBondContact O-CB 3.27Å; E376-K380 PolarHBondContact O-N 3.16Å; E377-K380 PolarHBondContact O-N 2.72Å; E378-K380 VanDerWaalsContact C-N 3.3Å; E378-K380 PolarHBondContact O-N 3.16Å; K380-A382 PolarHBondContact O-N 2.77Å; K380-Q383 PolarHBondContact O-N 2.6Å; K380-E384 IonicContact NZ-OE1 2.78Å; K380-E384 PolarHBondContact NZ-OE1 3.04Å; K380-E384 WeakPolarHBondContact O-CG 3.3Å; K380-E384 PolarHBondContact O-N 2.76Å |
| 381 | R | 85.6 | Confident | 84.4 | Confident | 150 Ų | 150 | 105 Ų | 105 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 174.6 | -67.5 | 169.3 | -175.2 | -165.5 | 4.7 | 112 | E377 E378 Q383 E384 E385 | E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-N 2.91Å; E377-R381 IonicContact OE1-CZ 3.76Å; E377-R381 IonicContact OE1-NE 2.77Å; E377-R381 PolarHBondContact OE1-NE 2.81Å; E377-R381 IonicContact OE1-NH2 3.57Å; E377-R381 PolarHBondContact OE1-NH2 3.48Å; E377-R381 IonicContact OE2-NH2 2.66Å; E378-R381 PolarHBondContact O-N 2.93Å; R381-Q383 VanDerWaalsContact C-N 3.34Å; R381-E384 PolarHBondContact O-N 3.4Å; R381-E385 PolarHBondContact O-N 3.38Å |
| 382 | A | 81.3 | Confident | 84 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E378 R379 K380 A386 | E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 2.78Å; R379-A382 PolarHBondContact O-N 2.74Å; K380-A382 PolarHBondContact O-N 2.77Å; A382-A386 WeakPolarHBondContact O-CB 3.14Å; A382-A386 PolarHBondContact O-N 3.29Å |
| 383 | Q | 79.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -44.1 | 174.1 | -172.2 | 179.4 | -32.6 | 0 | 0 | 111.3 | R379 K380 R381 E385 A386 E387 | R379-Q383 VanDerWaalsContact O-CB 3.31Å; R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 2.79Å; K380-Q383 PolarHBondContact O-N 2.6Å; R381-Q383 VanDerWaalsContact C-N 3.34Å; Q383-E385 VanDerWaalsContact C-N 3.3Å; Q383-E385 PolarHBondContact O-N 2.9Å; Q383-A386 PolarHBondContact O-N 3.47Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.46Å; Q383-E387 PolarHBondContact NE2-OE1 2.75Å; Q383-E387 WeakPolarHBondContact O-CB 3.43Å; Q383-E387 WeakPolarHBondContact O-CG 3.3Å; Q383-E387 PolarHBondContact O-N 3.18Å |
| 384 | E | 84.6 | Confident | 83.5 | Confident | 98 Ų | 98 | 108 Ų | 108 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 174.6 | -73.2 | 168.1 | -179.8 | 0 | 0 | 112.3 | K380 R381 R388 | K380-E384 IonicContact NZ-OE1 2.78Å; K380-E384 PolarHBondContact NZ-OE1 3.04Å; K380-E384 WeakPolarHBondContact O-CG 3.3Å; K380-E384 PolarHBondContact O-N 2.76Å; R381-E384 PolarHBondContact O-N 3.4Å; E384-R388 PolarHBondContact O-N 3.37Å; E384-R388 VanDerWaalsContact O-N 3.13Å |
| 385 | E | 82.9 | Confident | 83.3 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.2 | -38.7 | 172.7 | 179.1 | 145 | -115.1 | 0 | 0 | 113 | R381 Q383 R388 L389 | R381-E385 PolarHBondContact O-N 3.38Å; Q383-E385 VanDerWaalsContact C-N 3.3Å; Q383-E385 PolarHBondContact O-N 2.9Å; E385-R388 WeakPolarHBondContact O-CB 3.4Å; E385-R388 PolarHBondContact O-N 3.5Å; E385-R388 IonicContact OE1-CZ 2.81Å; E385-R388 VanDerWaalsContact OE1-CZ 3.29Å; E385-R388 IonicContact OE1-NH1 2.82Å; E385-R388 PolarHBondContact OE1-NH1 3.39Å; E385-R388 IonicContact OE1-NH2 3.24Å; E385-R388 PolarHBondContact OE1-NH2 2.83Å; E385-L389 HydrophobicContact CG-CD1 4.1Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.76Å |
| 386 | A | 79.2 | Confident | 83 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A382 Q383 R388 L389 E390 | A382-A386 WeakPolarHBondContact O-CB 3.14Å; A382-A386 PolarHBondContact O-N 3.29Å; Q383-A386 PolarHBondContact O-N 3.47Å; A386-R388 VanDerWaalsContact C-N 3.32Å; A386-R388 PolarHBondContact O-N 3.09Å; A386-L389 PolarHBondContact O-N 2.86Å; A386-E390 WeakPolarHBondContact O-CB 3.49Å; A386-E390 PolarHBondContact O-N 3.45Å |
| 387 | E | 83.6 | Confident | 82.9 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 175.2 | -72.4 | 173.6 | -160.6 | 0 | 0 | 111.5 | Q383 A391 | Q383-E387 WeakPolarHBondContact CG-OE1 3.46Å; Q383-E387 PolarHBondContact NE2-OE1 2.75Å; Q383-E387 WeakPolarHBondContact O-CB 3.43Å; Q383-E387 WeakPolarHBondContact O-CG 3.3Å; Q383-E387 PolarHBondContact O-N 3.18Å; E387-A391 WeakPolarHBondContact O-CB 3.44Å; E387-A391 PolarHBondContact O-N 2.89Å |
| 388 | R | 86.4 | Confident | 82.7 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 171.8 | -165.3 | -170.9 | 79.5 | -126.1 | -2.9 | 111.8 | E384 E385 A386 E390 A391 D392 | E384-R388 PolarHBondContact O-N 3.37Å; E384-R388 VanDerWaalsContact O-N 3.13Å; E385-R388 WeakPolarHBondContact O-CB 3.4Å; E385-R388 PolarHBondContact O-N 3.5Å; E385-R388 IonicContact OE1-CZ 2.81Å; E385-R388 VanDerWaalsContact OE1-CZ 3.29Å; E385-R388 IonicContact OE1-NH1 2.82Å; E385-R388 PolarHBondContact OE1-NH1 3.39Å; E385-R388 IonicContact OE1-NH2 3.24Å; E385-R388 PolarHBondContact OE1-NH2 2.83Å; A386-R388 VanDerWaalsContact C-N 3.32Å; A386-R388 PolarHBondContact O-N 3.09Å; R388-E390 VanDerWaalsContact C-N 3.31Å; R388-E390 PolarHBondContact O-N 2.85Å; R388-A391 WeakPolarHBondContact O-CB 3.39Å; R388-A391 PolarHBondContact O-N 3.32Å; R388-D392 PolarHBondContact O-N 2.96Å |
| 389 | L | 82.1 | Confident | 82.5 | Confident | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 179.9 | -70.3 | 168.8 | 0 | 0 | 0 | 112.6 | E385 A386 R393 | E385-L389 HydrophobicContact CG-CD1 4.1Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.76Å; A386-L389 PolarHBondContact O-N 2.86Å; L389-R393 WeakPolarHBondContact O-CB 3.38Å; L389-R393 PolarHBondContact O-N 2.88Å |
| 390 | E | 80.9 | Confident | 82.2 | Confident | 117 Ų | 117 | 97.3 Ų | 97.3 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.2 | -37.2 | 173.6 | -175.2 | 156.5 | -128.3 | 0 | 0 | 112.2 | A386 R388 R393 M394 | A386-E390 WeakPolarHBondContact O-CB 3.49Å; A386-E390 PolarHBondContact O-N 3.45Å; R388-E390 VanDerWaalsContact C-N 3.31Å; R388-E390 PolarHBondContact O-N 2.85Å; E390-R393 PolarHBondContact O-N 3.37Å; E390-M394 WeakPolarHBondContact O-CB 3.28Å; E390-M394 WeakPolarHBondContact O-CG 3.37Å; E390-M394 PolarHBondContact O-N 3.17Å |
| 391 | A | 82.9 | Confident | 81.9 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E387 R388 R393 M394 A395 | E387-A391 WeakPolarHBondContact O-CB 3.44Å; E387-A391 PolarHBondContact O-N 2.89Å; R388-A391 WeakPolarHBondContact O-CB 3.39Å; R388-A391 PolarHBondContact O-N 3.32Å; A391-R393 PolarHBondContact O-N 2.76Å; A391-M394 PolarHBondContact O-N 2.89Å; A391-A395 PolarHBondContact O-N 3.3Å |
| 392 | D | 80.6 | Confident | 81.5 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.5 | -71.7 | -29.2 | 0 | 0 | 0 | 111.2 | R388 M394 A395 A396 | R388-D392 PolarHBondContact O-N 2.96Å; D392-M394 PolarHBondContact O-N 3.44Å; D392-A395 PolarHBondContact O-N 3.48Å; D392-A396 PolarHBondContact O-N 2.81Å |
| 393 | R | 85.1 | Confident | 81.2 | Confident | 166 Ų | 166 | 99.4 Ų | 99.4 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 175.3 | -178.9 | -176.6 | 177 | -163.7 | -1.1 | 112.3 | L389 E390 A391 A396 L397 | L389-R393 WeakPolarHBondContact O-CB 3.38Å; L389-R393 PolarHBondContact O-N 2.88Å; E390-R393 PolarHBondContact O-N 3.37Å; A391-R393 PolarHBondContact O-N 2.76Å; R393-A396 PolarHBondContact O-N 3.26Å; R393-L397 HydrophobicContact CG-CD1 4.33Å; R393-L397 WeakPolarHBondContact O-CG 3.25Å; R393-L397 PolarHBondContact O-N 3.35Å |
| 394 | M | 80.8 | Confident | 80.9 | Confident | 100 Ų | 100 | 100 Ų | 100 | 49% | 0.493 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 176.8 | -83.1 | -110.1 | -90.1 | 0 | 0 | 112.4 | E390 A391 D392 L397 R398 | E390-M394 WeakPolarHBondContact O-CB 3.28Å; E390-M394 WeakPolarHBondContact O-CG 3.37Å; E390-M394 PolarHBondContact O-N 3.17Å; A391-M394 PolarHBondContact O-N 2.89Å; D392-M394 PolarHBondContact O-N 3.44Å; M394-L397 PolarHBondContact O-N 3.34Å; M394-R398 WeakPolarHBondContact O-CG 3.45Å; M394-R398 PolarHBondContact O-N 2.95Å |
| 395 | A | 83.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A391 D392 L397 R398 A399 | A391-A395 PolarHBondContact O-N 3.3Å; D392-A395 PolarHBondContact O-N 3.48Å; A395-L397 VanDerWaalsContact C-N 3.34Å; A395-L397 PolarHBondContact O-N 2.95Å; A395-R398 PolarHBondContact O-N 3.37Å; A395-A399 PolarHBondContact O-N 2.86Å; A395-A399 VanDerWaalsContact O-N 3.09Å |
| 396 | A | 78.6 | Confident | 80.2 | Confident | 63 Ų | 63 | 105.6 Ų | 105.6 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D392 R393 K400 | D392-A396 PolarHBondContact O-N 2.81Å; R393-A396 PolarHBondContact O-N 3.26Å; A396-K400 PolarHBondContact O-N 3.03Å; A396-K400 VanDerWaalsContact O-N 3.1Å |
| 397 | L | 81.2 | Confident | 79.8 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 175.8 | -77.4 | 169.5 | 0 | 0 | 0 | 112.3 | R393 M394 A395 A399 K400 E401 | R393-L397 HydrophobicContact CG-CD1 4.33Å; R393-L397 WeakPolarHBondContact O-CG 3.25Å; R393-L397 PolarHBondContact O-N 3.35Å; M394-L397 PolarHBondContact O-N 3.34Å; A395-L397 VanDerWaalsContact C-N 3.34Å; A395-L397 PolarHBondContact O-N 2.95Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-A399 PolarHBondContact O-N 3.5Å; L397-K400 WeakPolarHBondContact O-CB 3.4Å; L397-K400 PolarHBondContact O-N 2.85Å; L397-K400 VanDerWaalsContact O-N 3.13Å; L397-E401 PolarHBondContact O-N 3.49Å |
| 398 | R | 83.2 | Confident | 79.4 | Confident | 149 Ų | 149 | 103.4 Ų | 103.4 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 176.6 | -66.9 | -179.5 | -143.3 | 141.2 | 7.3 | 112 | M394 A395 K400 E401 E402 | M394-R398 WeakPolarHBondContact O-CG 3.45Å; M394-R398 PolarHBondContact O-N 2.95Å; A395-R398 PolarHBondContact O-N 3.37Å; R398-K400 PolarHBondContact O-N 3.43Å; R398-E401 PolarHBondContact O-N 3.03Å; R398-E402 WeakPolarHBondContact O-CB 3.26Å; R398-E402 PolarHBondContact O-N 3.35Å |
| 399 | A | 79.6 | Confident | 78.7 | Confident | 53 Ų | 53 | 101.2 Ų | 101.2 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -33.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A395 L397 L403 | A395-A399 PolarHBondContact O-N 2.86Å; A395-A399 VanDerWaalsContact O-N 3.09Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-A399 PolarHBondContact O-N 3.5Å; A399-L403 WeakPolarHBondContact O-CG 3.49Å; A399-L403 PolarHBondContact O-N 3.18Å |
| 400 | K | 78.5 | Confident | 78 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 46% | 0.457 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -48.6 | 172 | 178 | -177.2 | 172.6 | -72.6 | 0 | 112.1 | A396 L397 R398 E402 L403 E404 | A396-K400 PolarHBondContact O-N 3.03Å; A396-K400 VanDerWaalsContact O-N 3.1Å; L397-K400 WeakPolarHBondContact O-CB 3.4Å; L397-K400 PolarHBondContact O-N 2.85Å; L397-K400 VanDerWaalsContact O-N 3.13Å; R398-K400 PolarHBondContact O-N 3.43Å; K400-E402 VanDerWaalsContact C-N 3.27Å; K400-E402 PolarHBondContact O-N 3.45Å; K400-L403 PolarHBondContact O-N 3.31Å; K400-E404 WeakPolarHBondContact CE-OE1 3.26Å; K400-E404 IonicContact NZ-OE1 3.84Å; K400-E404 PolarHBondContact NZ-OE1 3.49Å; K400-E404 IonicContact NZ-OE2 3.09Å; K400-E404 PolarHBondContact NZ-OE2 3.11Å; K400-E404 PolarHBondContact O-N 2.9Å |
| 401 | E | 78.9 | Confident | 77.5 | Confident | 128 Ų | 128 | 102.4 Ų | 102.4 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | 178.9 | -70.2 | -178.4 | 140.2 | 0 | 0 | 111.9 | L397 R398 E404 R405 | L397-E401 PolarHBondContact O-N 3.49Å; R398-E401 PolarHBondContact O-N 3.03Å; E401-E404 PolarHBondContact O-N 2.91Å; E401-R405 WeakPolarHBondContact O-CB 3.44Å; E401-R405 PolarHBondContact O-N 2.95Å |
| 402 | E | 77.9 | Confident | 76.8 | Confident | 132 Ų | 132 | 104.6 Ų | 104.6 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -35.1 | 179.7 | -164.2 | 154.1 | -134.9 | 0 | 0 | 112.3 | R398 K400 Q406 | R398-E402 WeakPolarHBondContact O-CB 3.26Å; R398-E402 PolarHBondContact O-N 3.35Å; K400-E402 VanDerWaalsContact C-N 3.27Å; K400-E402 PolarHBondContact O-N 3.45Å; E402-Q406 WeakPolarHBondContact O-CG 3.48Å; E402-Q406 PolarHBondContact O-N 3.29Å |
| 403 | L | 74.4 | Confident | 76.2 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.2 | -43.4 | 169.6 | -75.4 | 167.3 | 0 | 0 | 0 | 112.5 | A399 K400 R405 Q406 A407 | A399-L403 WeakPolarHBondContact O-CG 3.49Å; A399-L403 PolarHBondContact O-N 3.18Å; K400-L403 PolarHBondContact O-N 3.31Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 3.39Å; L403-Q406 PolarHBondContact O-N 3.11Å; L403-A407 PolarHBondContact O-N 3.27Å; L403-A407 VanDerWaalsContact O-N 3.09Å |
| 404 | E | 73.2 | Confident | 75 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.9 | -75.8 | 175.5 | 145.8 | 0 | 0 | 111.7 | K400 E401 A407 V408 | K400-E404 WeakPolarHBondContact CE-OE1 3.26Å; K400-E404 IonicContact NZ-OE1 3.84Å; K400-E404 PolarHBondContact NZ-OE1 3.49Å; K400-E404 IonicContact NZ-OE2 3.09Å; K400-E404 PolarHBondContact NZ-OE2 3.11Å; K400-E404 PolarHBondContact O-N 2.9Å; E401-E404 PolarHBondContact O-N 2.91Å; E404-A407 PolarHBondContact O-N 3.14Å; E404-V408 WeakPolarHBondContact O-CG2 3.48Å; E404-V408 PolarHBondContact O-N 3.4Å |
| 405 | R | 77.4 | Confident | 74.1 | Confident | 186 Ų | 186 | 103.7 Ų | 103.7 | 70% | 0.702 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 175.9 | -159.1 | 175.1 | -168 | -146.3 | 2.1 | 112.4 | E401 L403 A407 V408 D409 | E401-R405 WeakPolarHBondContact O-CB 3.44Å; E401-R405 PolarHBondContact O-N 2.95Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 3.39Å; R405-A407 VanDerWaalsContact C-N 3.33Å; R405-A407 PolarHBondContact O-N 3.11Å; R405-V408 PolarHBondContact O-N 2.83Å; R405-D409 PolarHBondContact O-N 2.83Å; R405-D409 VanDerWaalsContact O-N 3.13Å |
| 406 | Q | 75.3 | Confident | 73.3 | Confident | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 174.1 | -71.4 | 171.2 | 28.5 | 0 | 0 | 111.8 | E402 L403 Q410 | E402-Q406 WeakPolarHBondContact O-CG 3.48Å; E402-Q406 PolarHBondContact O-N 3.29Å; L403-Q406 PolarHBondContact O-N 3.11Å; Q406-Q410 WeakPolarHBondContact O-CB 3.37Å; Q406-Q410 PolarHBondContact O-N 2.9Å; Q406-Q410 VanDerWaalsContact O-N 3.13Å |
| 407 | A | 71.4 | Confident | 72.5 | Confident | 45 Ų | 45 | 110.3 Ų | 110.3 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L403 E404 R405 Q410 I411 | L403-A407 PolarHBondContact O-N 3.27Å; L403-A407 VanDerWaalsContact O-N 3.09Å; E404-A407 PolarHBondContact O-N 3.14Å; R405-A407 VanDerWaalsContact C-N 3.33Å; R405-A407 PolarHBondContact O-N 3.11Å; A407-Q410 PolarHBondContact O-N 2.96Å; A407-I411 WeakPolarHBondContact O-CG1 3.44Å; A407-I411 PolarHBondContact O-N 3.18Å; A407-I411 VanDerWaalsContact O-N 3.12Å |
| 408 | V | 74.6 | Confident | 71.7 | Confident | 73 Ų | 73 | 109.1 Ų | 109.1 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 178 | 165.6 | 0 | 0 | 0 | 0 | 112.3 | E404 R405 Q410 I411 K412 | E404-V408 WeakPolarHBondContact O-CG2 3.48Å; E404-V408 PolarHBondContact O-N 3.4Å; R405-V408 PolarHBondContact O-N 2.83Å; V408-Q410 VanDerWaalsContact C-N 3.34Å; V408-I411 PolarHBondContact O-N 3.14Å; V408-K412 PolarHBondContact O-N 3.31Å |
| 409 | D | 72.4 | Confident | 71 | Confident | 82 Ų | 82 | 105 Ų | 105 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.2 | -28 | 179 | -69.8 | -25.9 | 0 | 0 | 0 | 112.2 | R405 K412 S413 | R405-D409 PolarHBondContact O-N 2.83Å; R405-D409 VanDerWaalsContact O-N 3.13Å; D409-K412 IonicContact OD1-NZ 3.94Å; D409-K412 PolarHBondContact OD1-NZ 3.23Å; D409-S413 PolarHBondContact O-N 2.85Å |
| 410 | Q | 68.1 | Low | 70.4 | Confident | 143 Ų | 143 | 108.5 Ų | 108.5 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.4 | -34.8 | 170.9 | -165 | 172 | 33 | 0 | 0 | 112.6 | Q406 A407 V408 | Q406-Q410 WeakPolarHBondContact O-CB 3.37Å; Q406-Q410 PolarHBondContact O-N 2.9Å; Q406-Q410 VanDerWaalsContact O-N 3.13Å; A407-Q410 PolarHBondContact O-N 2.96Å; V408-Q410 VanDerWaalsContact C-N 3.34Å |
| 411 | I | 68.9 | Low | 69.5 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.2 | -48 | 175.3 | -69.8 | 164.8 | 0 | 0 | 0 | 111.1 | A407 V408 S413 Q414 E415 | A407-I411 WeakPolarHBondContact O-CG1 3.44Å; A407-I411 PolarHBondContact O-N 3.18Å; A407-I411 VanDerWaalsContact O-N 3.12Å; V408-I411 PolarHBondContact O-N 3.14Å; I411-S413 PolarHBondContact O-N 3.14Å; I411-Q414 WeakPolarHBondContact O-CA 3.42Å; I411-Q414 WeakPolarHBondContact O-CB 3.39Å; I411-Q414 PolarHBondContact O-N 3.44Å; I411-E415 PolarHBondContact O-N 3.03Å; I411-E415 VanDerWaalsContact O-N 3.16Å |
| 412 | K | 68.9 | Low | 69 | Low | 104 Ų | 104 | 105.9 Ų | 105.9 | 45% | 0.452 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.9 | -35.2 | 178.2 | -65.7 | 170.4 | -165.6 | 157.7 | 0 | 112.6 | V408 D409 Q414 E415 Q416 | V408-K412 PolarHBondContact O-N 3.31Å; D409-K412 IonicContact OD1-NZ 3.94Å; D409-K412 PolarHBondContact OD1-NZ 3.23Å; K412-Q414 PolarHBondContact O-N 2.72Å; K412-E415 PolarHBondContact O-N 3.36Å; K412-Q416 PolarHBondContact O-N 3.29Å |
| 413 | S | 68.1 | Low | 68.7 | Low | 71 Ų | 71 | 106.3 Ų | 106.3 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.9 | -22.6 | 176.1 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | D409 I411 L417 | D409-S413 PolarHBondContact O-N 2.85Å; I411-S413 PolarHBondContact O-N 3.14Å; S413-L417 WeakPolarHBondContact O-CD1 3.39Å |
| 414 | Q | 59.1 | Low | 68.3 | Low | 148 Ų | 148 | 108.7 Ų | 108.7 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -83.5 | -37.6 | 171.5 | -68.4 | -170.1 | -24.4 | 0 | 0 | 111.9 | I411 K412 Q416 L417 A418 | I411-Q414 WeakPolarHBondContact O-CA 3.42Å; I411-Q414 WeakPolarHBondContact O-CB 3.39Å; I411-Q414 PolarHBondContact O-N 3.44Å; K412-Q414 PolarHBondContact O-N 2.72Å; Q414-Q416 VanDerWaalsContact C-N 3.27Å; Q414-Q416 PolarHBondContact O-N 2.9Å; Q414-L417 PolarHBondContact O-N 2.9Å; Q414-A418 PolarHBondContact O-N 2.95Å |
| 415 | E | 63.6 | Low | 68 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.5 | -35.4 | 178.5 | -66 | -178.4 | 132.3 | 0 | 0 | 112.4 | I411 K412 A418 A419 | I411-E415 PolarHBondContact O-N 3.03Å; I411-E415 VanDerWaalsContact O-N 3.16Å; K412-E415 PolarHBondContact O-N 3.36Å; E415-A418 PolarHBondContact O-N 3.17Å; E415-A419 PolarHBondContact O-N 2.92Å |
| 416 | Q | 64.8 | Low | 67.5 | Low | 146 Ų | 146 | 102.2 Ų | 102.2 | 68% | 0.682 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | 176.4 | -72.2 | -172.5 | -40.7 | 0 | 0 | 113.4 | K412 Q414 A418 A419 E420 | K412-Q416 PolarHBondContact O-N 3.29Å; Q414-Q416 VanDerWaalsContact C-N 3.27Å; Q414-Q416 PolarHBondContact O-N 2.9Å; Q416-A418 VanDerWaalsContact C-N 3.29Å; Q416-A418 PolarHBondContact O-N 3.33Å; Q416-A419 PolarHBondContact O-N 3.44Å; Q416-E420 PolarHBondContact O-N 2.94Å |
| 417 | L | 62.5 | Low | 67.3 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -30.9 | 175.5 | -87.5 | 86.1 | 0 | 0 | 0 | 112.4 | S413 Q414 A419 L421 | S413-L417 WeakPolarHBondContact O-CD1 3.39Å; Q414-L417 PolarHBondContact O-N 2.9Å; L417-A419 VanDerWaalsContact C-N 3.31Å; L417-L421 PolarHBondContact O-N 3.35Å |
| 418 | A | 64.4 | Low | 66.7 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 51% | 0.512 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.7 | -32 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q414 E415 Q416 A422 | Q414-A418 PolarHBondContact O-N 2.95Å; E415-A418 PolarHBondContact O-N 3.17Å; Q416-A418 VanDerWaalsContact C-N 3.29Å; Q416-A418 PolarHBondContact O-N 3.33Å; A418-A422 PolarHBondContact O-N 2.74Å |
| 419 | A | 68.3 | Low | 66.2 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 51% | 0.512 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.3 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E415 Q416 L417 L421 A422 E423 | E415-A419 PolarHBondContact O-N 2.92Å; Q416-A419 PolarHBondContact O-N 3.44Å; L417-A419 VanDerWaalsContact C-N 3.31Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-L421 PolarHBondContact O-N 2.95Å; A419-A422 WeakPolarHBondContact O-CB 3.47Å; A419-A422 PolarHBondContact O-N 2.75Å; A419-E423 PolarHBondContact O-N 2.9Å |
| 420 | E | 67.5 | Low | 66.2 | Low | 128 Ų | 128 | 105.9 Ų | 105.9 | 60% | 0.598 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.2 | -41 | 177.6 | -68.3 | -170.3 | 137.8 | 0 | 0 | 111.8 | Q416 A422 E423 Y424 | Q416-E420 PolarHBondContact O-N 2.94Å; E420-A422 VanDerWaalsContact C-N 3.28Å; E420-A422 PolarHBondContact O-N 3.1Å; E420-E423 PolarHBondContact O-N 3.09Å; E420-Y424 VanDerWaalsContact O-CD2 3.3Å; E420-Y424 WeakPolarHBondContact O-CD2 3.3Å; E420-Y424 PolarHBondContact O-N 3.27Å |
| 421 | L | 60.4 | Low | 65.9 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -35.1 | 175.9 | -77.8 | 167.3 | 0 | 0 | 0 | 112.6 | L417 A419 T425 | L417-L421 PolarHBondContact O-N 3.35Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-L421 PolarHBondContact O-N 2.95Å; L421-T425 WeakPolarHBondContact O-CB 3.45Å; L421-T425 PolarHBondContact O-N 3.28Å; L421-T425 VanDerWaalsContact O-N 3.15Å; L421-T425 PolarHBondContact O-OG1 2.9Å |
| 422 | A | 66.9 | Low | 65.6 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.7 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A418 A419 E420 T425 A426 | A418-A422 PolarHBondContact O-N 2.74Å; A419-A422 WeakPolarHBondContact O-CB 3.47Å; A419-A422 PolarHBondContact O-N 2.75Å; E420-A422 VanDerWaalsContact C-N 3.28Å; E420-A422 PolarHBondContact O-N 3.1Å; A422-T425 PolarHBondContact O-N 3.46Å; A422-A426 PolarHBondContact O-N 2.71Å |
| 423 | E | 72.2 | Confident | 65.2 | Low | 141 Ų | 141 | 104.2 Ų | 104.2 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.2 | -45.2 | 178.8 | -167.7 | -177.7 | 163.9 | 0 | 0 | 112 | A419 E420 T425 A426 K427 | A419-E423 PolarHBondContact O-N 2.9Å; E420-E423 PolarHBondContact O-N 3.09Å; E423-T425 VanDerWaalsContact C-N 3.3Å; E423-T425 PolarHBondContact O-N 2.93Å; E423-A426 PolarHBondContact O-N 2.91Å; E423-K427 PolarHBondContact O-N 3.38Å |
| 424 | Y | 67 | Low | 64.8 | Low | 164 Ų | 164 | 103.9 Ų | 103.9 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.1 | -37.5 | 173.9 | -77.2 | -72.5 | 0 | 0 | 0 | 112.3 | E420 K427 I428 | E420-Y424 VanDerWaalsContact O-CD2 3.3Å; E420-Y424 WeakPolarHBondContact O-CD2 3.3Å; E420-Y424 PolarHBondContact O-N 3.27Å; Y424-K427 PolarHBondContact O-N 2.9Å; Y424-I428 WeakPolarHBondContact O-CG1 3.33Å; Y424-I428 PolarHBondContact O-N 2.86Å; Y424-I428 VanDerWaalsContact O-N 3.1Å |
| 425 | T | 66.8 | Low | 64.7 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | L421 A422 E423 K427 I428 A429 | L421-T425 WeakPolarHBondContact O-CB 3.45Å; L421-T425 PolarHBondContact O-N 3.28Å; L421-T425 VanDerWaalsContact O-N 3.15Å; L421-T425 PolarHBondContact O-OG1 2.9Å; A422-T425 PolarHBondContact O-N 3.46Å; E423-T425 VanDerWaalsContact C-N 3.3Å; E423-T425 PolarHBondContact O-N 2.93Å; T425-K427 VanDerWaalsContact C-N 3.26Å; T425-K427 PolarHBondContact O-N 3.33Å; T425-I428 PolarHBondContact O-N 3.29Å; T425-A429 PolarHBondContact O-N 2.93Å |
| 426 | A | 66.3 | Low | 64.4 | Low | 54 Ų | 54 | 103.4 Ų | 103.4 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -32.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | A422 E423 A429 L430 | A422-A426 PolarHBondContact O-N 2.71Å; E423-A426 PolarHBondContact O-N 2.91Å; A426-A429 PolarHBondContact O-N 3.24Å; A426-L430 PolarHBondContact O-N 2.92Å |
| 427 | K | 70.5 | Confident | 64.2 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.3 | -31.7 | 177.4 | -161 | 168.8 | -169.6 | 165.2 | 0 | 113.3 | E423 Y424 T425 | E423-K427 PolarHBondContact O-N 3.38Å; Y424-K427 PolarHBondContact O-N 2.9Å; T425-K427 VanDerWaalsContact C-N 3.26Å; T425-K427 PolarHBondContact O-N 3.33Å |
| 428 | I | 60.5 | Low | 63.9 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.2 | -47.2 | 168.8 | -66.4 | 166.3 | 0 | 0 | 0 | 109.4 | Y424 T425 L430 L431 E432 | Y424-I428 WeakPolarHBondContact O-CG1 3.33Å; Y424-I428 PolarHBondContact O-N 2.86Å; Y424-I428 VanDerWaalsContact O-N 3.1Å; T425-I428 PolarHBondContact O-N 3.29Å; I428-L430 VanDerWaalsContact C-N 3.31Å; I428-L430 PolarHBondContact O-N 3.09Å; I428-L431 PolarHBondContact O-N 2.92Å; I428-E432 HydrophobicContact CG2-CG 4.49Å; I428-E432 PolarHBondContact O-N 3.48Å |
| 429 | A | 64 | Low | 63.3 | Low | 51 Ų | 51 | 106.9 Ų | 106.9 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.7 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T425 A426 L431 E432 E433 | T425-A429 PolarHBondContact O-N 2.93Å; A426-A429 PolarHBondContact O-N 3.24Å; A429-L431 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 2.86Å; A429-E432 CarbonylContact O-C 3.12Å; A429-E432 PolarHBondContact O-N 3.5Å; A429-E433 WeakPolarHBondContact O-CB 3.31Å; A429-E433 PolarHBondContact O-N 3.46Å |
| 430 | L | 71.4 | Confident | 62.6 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -26.7 | 176.3 | -80.9 | 167 | 0 | 0 | 0 | 114.6 | A426 I428 A434 | A426-L430 PolarHBondContact O-N 2.92Å; I428-L430 VanDerWaalsContact C-N 3.31Å; I428-L430 PolarHBondContact O-N 3.09Å; L430-A434 WeakPolarHBondContact O-CB 3.26Å; L430-A434 PolarHBondContact O-N 2.94Å |
| 431 | L | 61.5 | Low | 62.1 | Low | 127 Ų | 127 | 106.7 Ų | 106.7 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.1 | -41 | 172.8 | -71.7 | 170 | 0 | 0 | 0 | 110.9 | I428 A429 E433 A434 R435 | I428-L431 PolarHBondContact O-N 2.92Å; A429-L431 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 2.86Å; L431-E433 PolarHBondContact O-N 2.77Å; L431-A434 PolarHBondContact O-N 2.6Å; L431-R435 PolarHBondContact O-N 2.98Å |
| 432 | E | 62.3 | Low | 61.8 | Low | 111 Ų | 111 | 106.6 Ų | 106.6 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -28.3 | 169.5 | -70.6 | -149.5 | 111.9 | 0 | 0 | 112.1 | I428 A429 R435 R436 | I428-E432 HydrophobicContact CG2-CG 4.49Å; I428-E432 PolarHBondContact O-N 3.48Å; A429-E432 CarbonylContact O-C 3.12Å; A429-E432 PolarHBondContact O-N 3.5Å; E432-R435 CarbonylContact O-C 3.48Å; E432-R435 WeakPolarHBondContact O-CB 3.49Å; E432-R435 IonicContact OE1-NH1 3Å; E432-R436 WeakPolarHBondContact O-CA 3.23Å; E432-R436 WeakPolarHBondContact O-CB 3.4Å; E432-R436 PolarHBondContact O-N 2.88Å |
| 433 | E | 62 | Low | 61 | Low | 70 Ų | 70 | 111.3 Ų | 111.3 | 33% | 0.327 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -88.2 | -18 | 176.6 | -152.1 | -163.5 | 168.4 | 0 | 0 | 112.8 | A429 L431 R436 R437 | A429-E433 WeakPolarHBondContact O-CB 3.31Å; A429-E433 PolarHBondContact O-N 3.46Å; L431-E433 PolarHBondContact O-N 2.77Å; E433-R436 HydrophobicContact CG-CB 4.49Å; E433-R436 PolarHBondContact O-N 3.42Å; E433-R437 HydrophobicContact CG-CG 4.29Å; E433-R437 VanDerWaalsContact O-CB 3.28Å; E433-R437 WeakPolarHBondContact O-CB 3.37Å; E433-R437 WeakPolarHBondContact O-CG 3.49Å; E433-R437 PolarHBondContact O-N 3.39Å; E433-R437 IonicContact OE1-CZ 3.08Å; E433-R437 IonicContact OE1-NE 3.87Å; E433-R437 PolarHBondContact OE1-NE 2.93Å; E433-R437 IonicContact OE1-NH2 2.66Å; E433-R437 PolarHBondContact OE1-NH2 3.47Å; E433-R437 IonicContact OE2-NH2 2.84Å |
| 434 | A | 59.8 | Low | 60 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.7 | -36.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L430 L431 K438 | L430-A434 WeakPolarHBondContact O-CB 3.26Å; L430-A434 PolarHBondContact O-N 2.94Å; L431-A434 PolarHBondContact O-N 2.6Å; A434-K438 PolarHBondContact O-N 3.35Å |
| 435 | R | 56.3 | Low | 59.2 | Low | 135 Ų | 135 | 113.1 Ų | 113.1 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.6 | -41.7 | 164.4 | 172.4 | -173.9 | 151 | -121.2 | -26.4 | 110.9 | L431 E432 K438 E439 | L431-R435 PolarHBondContact O-N 2.98Å; E432-R435 CarbonylContact O-C 3.48Å; E432-R435 WeakPolarHBondContact O-CB 3.49Å; E432-R435 IonicContact OE1-NH1 3Å; R435-K438 CarbonylContact O-C 3.59Å; R435-K438 VanDerWaalsContact O-CA 3.3Å; R435-K438 WeakPolarHBondContact O-CA 3.42Å; R435-K438 WeakPolarHBondContact O-CB 3.23Å; R435-K438 PolarHBondContact O-N 3.08Å; R435-E439 IonicContact CZ-OE1 3.21Å; R435-E439 VanDerWaalsContact CZ-OE1 3.24Å; R435-E439 IonicContact CZ-OE2 3.64Å; R435-E439 IonicContact NE-OE1 3.45Å; R435-E439 PolarHBondContact NE-OE1 2.91Å; R435-E439 IonicContact NE-OE2 2.8Å; R435-E439 IonicContact NH2-OE1 3.94Å; R435-E439 PolarHBondContact NH2-OE1 3.36Å; R435-E439 IonicContact NH2-OE2 3.78Å; R435-E439 PolarHBondContact NH2-OE2 3.5Å; R435-E439 VanDerWaalsContact NH2-OE2 3.09Å; R435-E439 WeakPolarHBondContact O-CG 3.41Å; R435-E439 PolarHBondContact O-N 3.2Å |
| 436 | R | 57.9 | Low | 57.3 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -74.8 | -31 | -175.2 | -146.1 | -166.6 | 166.1 | -123.8 | -22.6 | 111 | E432 E433 K438 E439 D440 | E432-R436 WeakPolarHBondContact O-CA 3.23Å; E432-R436 WeakPolarHBondContact O-CB 3.4Å; E432-R436 PolarHBondContact O-N 2.88Å; E433-R436 HydrophobicContact CG-CB 4.49Å; E433-R436 PolarHBondContact O-N 3.42Å; R436-K438 PolarHBondContact O-N 3Å; R436-E439 HydrophobicContact CG-CB 4.36Å; R436-E439 CarbonylContact O-C 3.45Å; R436-E439 WeakPolarHBondContact O-CA 3.42Å; R436-E439 WeakPolarHBondContact O-CB 3.5Å; R436-E439 PolarHBondContact O-N 3.41Å; R436-D440 WeakPolarHBondContact CD-OD2 3.5Å; R436-D440 WeakPolarHBondContact CG-OD2 3.32Å; R436-D440 IonicContact CZ-OD1 3.86Å; R436-D440 IonicContact CZ-OD2 3.53Å; R436-D440 IonicContact NE-OD1 2.73Å; R436-D440 PolarHBondContact NE-OD1 2.93Å; R436-D440 IonicContact NE-OD2 2.66Å; R436-D440 PolarHBondContact NE-OD2 2.96Å; R436-D440 IonicContact NH1-OD1 2.99Å; R436-D440 IonicContact NH1-OD2 3.16Å; R436-D440 PolarHBondContact NH1-OD2 2.68Å; R436-D440 IonicContact NH2-OD1 3.21Å; R436-D440 PolarHBondContact NH2-OD1 2.86Å; R436-D440 IonicContact NH2-OD2 3.89Å; R436-D440 PolarHBondContact NH2-OD2 3.24Å; R436-D440 VanDerWaalsContact O-CA 3.25Å; R436-D440 WeakPolarHBondContact O-CA 3.34Å; R436-D440 WeakPolarHBondContact O-CB 3.44Å; R436-D440 VanDerWaalsContact O-CG 3.22Å; R436-D440 PolarHBondContact O-N 3.42Å |
| 437 | R | 59.9 | Low | 54.7 | Low | 127 Ų | 127 | 118 Ų | 118 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78.4 | -0.4 | 165.5 | -64.3 | 178.3 | -163.4 | -173.8 | 6.5 | 113.7 | E433 D440 E441 | E433-R437 HydrophobicContact CG-CG 4.29Å; E433-R437 VanDerWaalsContact O-CB 3.28Å; E433-R437 WeakPolarHBondContact O-CB 3.37Å; E433-R437 WeakPolarHBondContact O-CG 3.49Å; E433-R437 PolarHBondContact O-N 3.39Å; E433-R437 IonicContact OE1-CZ 3.08Å; E433-R437 IonicContact OE1-NE 3.87Å; E433-R437 PolarHBondContact OE1-NE 2.93Å; E433-R437 IonicContact OE1-NH2 2.66Å; E433-R437 PolarHBondContact OE1-NH2 3.47Å; E433-R437 IonicContact OE2-NH2 2.84Å; R437-D440 WeakPolarHBondContact CA-O 3.49Å; R437-E441 WeakPolarHBondContact O-CG 3.37Å |
| 438 | K | 57.1 | Low | 52.7 | Low | 155 Ų | 155 | 121.5 Ų | 121.5 | 67% | 0.674 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -87.9 | -14.5 | 155.5 | -87 | -86.4 | 160.7 | -111.9 | 0 | 112.3 | A434 R435 R436 E441 | A434-K438 PolarHBondContact O-N 3.35Å; R435-K438 CarbonylContact O-C 3.59Å; R435-K438 VanDerWaalsContact O-CA 3.3Å; R435-K438 WeakPolarHBondContact O-CA 3.42Å; R435-K438 WeakPolarHBondContact O-CB 3.23Å; R435-K438 PolarHBondContact O-N 3.08Å; R436-K438 PolarHBondContact O-N 3Å; K438-E441 IonicContact NZ-OE2 2.83Å; K438-E441 PolarHBondContact NZ-OE2 2.76Å |
| 439 | E | 50 | Low | 50.2 | Low | 110 Ų | 110 | 121.3 Ų | 121.3 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -103.4 | -13.2 | 171.7 | -60.2 | 166.4 | 178.5 | 0 | 0 | 112.5 | R435 R436 | R435-E439 IonicContact CZ-OE1 3.21Å; R435-E439 VanDerWaalsContact CZ-OE1 3.24Å; R435-E439 IonicContact CZ-OE2 3.64Å; R435-E439 IonicContact NE-OE1 3.45Å; R435-E439 PolarHBondContact NE-OE1 2.91Å; R435-E439 IonicContact NE-OE2 2.8Å; R435-E439 IonicContact NH2-OE1 3.94Å; R435-E439 PolarHBondContact NH2-OE1 3.36Å; R435-E439 IonicContact NH2-OE2 3.78Å; R435-E439 PolarHBondContact NH2-OE2 3.5Å; R435-E439 VanDerWaalsContact NH2-OE2 3.09Å; R435-E439 WeakPolarHBondContact O-CG 3.41Å; R435-E439 PolarHBondContact O-N 3.2Å; R436-E439 HydrophobicContact CG-CB 4.36Å; R436-E439 CarbonylContact O-C 3.45Å; R436-E439 WeakPolarHBondContact O-CA 3.42Å; R436-E439 WeakPolarHBondContact O-CB 3.5Å; R436-E439 PolarHBondContact O-N 3.41Å |
| 440 | D | 55.3 | Low | 47.5 | Very low | 30 Ų | 30 | 127.1 Ų | 127.1 | 16% | 0.16 | 60% | 0.599 | C | S | . | * | trans | -146.7 | 58.1 | -166 | -61.8 | -22.9 | 0 | 0 | 0 | 109.2 | R436 R437 V442 | R436-D440 WeakPolarHBondContact CD-OD2 3.5Å; R436-D440 WeakPolarHBondContact CG-OD2 3.32Å; R436-D440 IonicContact CZ-OD1 3.86Å; R436-D440 IonicContact CZ-OD2 3.53Å; R436-D440 IonicContact NE-OD1 2.73Å; R436-D440 PolarHBondContact NE-OD1 2.93Å; R436-D440 IonicContact NE-OD2 2.66Å; R436-D440 PolarHBondContact NE-OD2 2.96Å; R436-D440 IonicContact NH1-OD1 2.99Å; R436-D440 IonicContact NH1-OD2 3.16Å; R436-D440 PolarHBondContact NH1-OD2 2.68Å; R436-D440 IonicContact NH2-OD1 3.21Å; R436-D440 PolarHBondContact NH2-OD1 2.86Å; R436-D440 IonicContact NH2-OD2 3.89Å; R436-D440 PolarHBondContact NH2-OD2 3.24Å; R436-D440 VanDerWaalsContact O-CA 3.25Å; R436-D440 WeakPolarHBondContact O-CA 3.34Å; R436-D440 WeakPolarHBondContact O-CB 3.44Å; R436-D440 VanDerWaalsContact O-CG 3.22Å; R436-D440 PolarHBondContact O-N 3.42Å; R437-D440 WeakPolarHBondContact CA-O 3.49Å; D440-V442 VanDerWaalsContact C-N 3.29Å; D440-V442 HydrophobicContact CB-CG1 3.7Å; D440-V442 WeakPolarHBondContact O-CG1 3.44Å; D440-V442 PolarHBondContact O-N 2.95Å | ||
| 441 | E | 55.7 | Low | 44.4 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 73% | 0.729 | 60% | 0.603 | S | S | * | * | trans | -61.7 | 0 | 165.4 | -70.9 | -167.3 | 43.3 | 0 | 0 | 107.7 | R437 K438 | R437-E441 WeakPolarHBondContact O-CG 3.37Å; K438-E441 IonicContact NZ-OE2 2.83Å; K438-E441 PolarHBondContact NZ-OE2 2.76Å | ||
| 442 | V | 54.8 | Low | 42.1 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 71% | 0.709 | 61% | 0.614 | S | S | * | * | 0 | 0 | 0 | 49.1 | 0 | 0 | 0 | 0 | 128.8 | D440 | D440-V442 VanDerWaalsContact C-N 3.29Å; D440-V442 HydrophobicContact CB-CG1 3.7Å; D440-V442 WeakPolarHBondContact O-CG1 3.44Å; D440-V442 PolarHBondContact O-N 2.95Å | |||
| 443 | E | 49.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | 0 | 0 | 0 | -45.1 | -173.7 | -121.2 | 0 | 0 | 132.2 | |||||
| 444 | E | 53 | Low | 39.4 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | 0 | 0 | 0 | -65.5 | -152.8 | -70.5 | 0 | 0 | 129.5 | |||||
| 445 | W | 48.3 | Very low | 38.9 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 66% | 0.659 | 66% | 0.661 | S | S | * | * | 0 | 0 | 0 | 52.2 | -108.5 | 0 | 0 | 0 | 127.5 | H447 | W445-H447 AromaticContact CE3-CE1 3.67Å; W445-H447 AromaticContact CZ3-CE1 3.46Å; W445-H447 VanDerWaalsContact CZ3-CE1 3.46Å; W445-H447 WeakPolarHBondContact CZ3-CE1 3.42Å; W445-H447 AromaticContact CZ3-NE2 3.7Å | |||
| 446 | Q | 27.3 | Very low | 38.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 59% | 0.593 | 67% | 0.674 | S | S | * | * | 0 | 0 | 0 | -104.8 | -46.5 | -59 | 0 | 0 | 126.3 | R448 | Q446-R448 VanDerWaalsContact C-NH2 3.32Å; Q446-R448 PolarHBondContact O-NH1 2.67Å; Q446-R448 PolarHBondContact O-NH2 3.39Å | |||
| 447 | H | 11.6 | Very low | 38.5 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 56% | 0.556 | 69% | 0.693 | S | S | * | * | 0 | 0 | 0 | -19.7 | -75.1 | 0 | 0 | 0 | 124.9 | W445 | W445-H447 AromaticContact CE3-CE1 3.67Å; W445-H447 AromaticContact CZ3-CE1 3.46Å; W445-H447 VanDerWaalsContact CZ3-CE1 3.46Å; W445-H447 WeakPolarHBondContact CZ3-CE1 3.42Å; W445-H447 AromaticContact CZ3-NE2 3.7Å | |||
| 448 | R | 28.8 | Very low | 38.1 | Very low | 209 Ų | 209 | 142.7 Ų | 142.7 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | 0 | 0 | 0 | -49 | 88.5 | -148.7 | 146.4 | 10.7 | 122.7 | Q446 | Q446-R448 VanDerWaalsContact C-NH2 3.32Å; Q446-R448 PolarHBondContact O-NH1 2.67Å; Q446-R448 PolarHBondContact O-NH2 3.39Å | |||
| 449 | A | 8.2 | Very low | 37.2 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 450 | K | 6.9 | Very low | 37 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | 0 | 0 | 0 | -133.8 | 72.2 | -114.1 | 78.5 | 0 | 123.6 | |||||
| 451 | E | 6.6 | Very low | 36.2 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | 0 | 0 | 0 | 64.6 | -63.5 | -75.4 | 0 | 0 | 124.3 | |||||
| 452 | A | 13.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 453 | Q | 26.5 | Very low | 34.3 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | 0 | 0 | 0 | -125.3 | 179.9 | -98.9 | 0 | 0 | 124.5 | |||||
| 454 | D | 41 | Very low | 33.4 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | 0 | 0 | 0 | -54.4 | -24.2 | 0 | 0 | 0 | 128.3 | |||||
| 455 | D | 49.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | -165.5 | 15.2 | 0 | 0 | 0 | 112.4 | |||||
| 456 | L | 51.3 | Low | 31.3 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -169.1 | 47.2 | 0 | 0 | 0 | 116.6 | |||||
| 457 | V | 54.3 | Low | 31.4 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | 0 | 0 | 0 | 73.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 458 | K | 50.6 | Low | 32.2 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | 0 | 0 | 0 | -140.3 | -178.2 | -177 | 179.9 | 0 | 116.9 | |||||
| 459 | T | 38.5 | Very low | 32 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | 0 | 0 | 0 | -26.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 460 | K | 46.6 | Very low | 34.1 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 56% | 0.557 | 78% | 0.778 | S | S | * | * | 0 | 0 | 0 | -169.4 | -158.7 | 160 | -60.3 | 0 | 119.2 | E462 | K460-E462 WeakPolarHBondContact CE-OE1 3.29Å; K460-E462 IonicContact NZ-OE1 2.89Å; K460-E462 PolarHBondContact NZ-OE1 2.94Å; K460-E462 IonicContact NZ-OE2 2.77Å; K460-E462 PolarHBondContact NZ-OE2 2.85Å | |||
| 461 | E | 36.7 | Very low | 35.8 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 0 | 0 | 0 | -73.5 | -26.5 | -59.5 | 0 | 0 | 121.6 | |||||
| 462 | E | 36.5 | Very low | 37.6 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | 0 | 0 | 0 | -56.1 | 89.2 | -124.3 | 0 | 0 | 125.3 | K460 | K460-E462 WeakPolarHBondContact CE-OE1 3.29Å; K460-E462 IonicContact NZ-OE1 2.89Å; K460-E462 PolarHBondContact NZ-OE1 2.94Å; K460-E462 IonicContact NZ-OE2 2.77Å; K460-E462 PolarHBondContact NZ-OE2 2.85Å | |||
| 463 | L | 34.8 | Very low | 39.1 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | 0 | 0 | 0 | -169.5 | 59 | 0 | 0 | 0 | 124.8 | |||||
| 464 | H | 30.2 | Very low | 40.1 | Very low | 173 Ų | 173 | 139 Ų | 139 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | 0 | 0 | 0 | -126.6 | 67.6 | 0 | 0 | 0 | 123.4 | |||||
| 465 | L | 28.8 | Very low | 40.4 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 0 | 0 | 0 | -121 | 71.1 | 0 | 0 | 0 | 116.4 | |||||
| 466 | V | 29 | Very low | 40.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | 0 | 0 | 0 | 61.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 467 | M | 28.3 | Very low | 39.2 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | -63.9 | 173 | 56.1 | 0 | 0 | 122.5 | |||||
| 468 | T | 29.1 | Very low | 38 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | -18.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 469 | A | 25.3 | Very low | 36.8 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 470 | P | 51.5 | Low | 36.8 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | cis | -128.4 | 0 | -21.4 | 32.4 | -5.6 | 0 | 0 | 0 | 113 | ||||
| 471 | P | 43 | Very low | 35.9 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | 26.8 | 2.6 | 0 | 0 | 0 | 121.9 | |||||
| 472 | P | 43.4 | Very low | 35.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | 42.8 | -17.7 | 0 | 0 | 0 | 116.8 | |||||
| 473 | P | 46.8 | Very low | 34.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | 0 | 0 | 0 | 29 | 1.6 | 0 | 0 | 0 | 121.5 | |||||
| 474 | P | 47.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | 0 | 172.3 | 0 | 44.2 | -22 | 0 | 0 | 0 | 123.5 | |||||
| 475 | P | 46.1 | Very low | 34.6 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -143.7 | 152.6 | 177.2 | 43.1 | -26.6 | 0 | 0 | 0 | 121.7 | ||||
| 476 | P | 47.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -152.1 | -164.8 | 141.9 | 43 | -24.6 | 0 | 0 | 0 | 114.6 | ||||
| 477 | V | 29.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | cis | -153.2 | -168.4 | 2.9 | -93.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 478 | Y | 28.3 | Very low | 35.3 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | cis | -155.4 | 179.4 | 10.1 | -87 | -52.3 | 0 | 0 | 0 | 108.4 | ||||
| 479 | E | 25.8 | Very low | 35.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | cis | 89.8 | 150.7 | 18.1 | -60.1 | -173.7 | 84.2 | 0 | 0 | 118.6 | ||||
| 480 | P | 38.7 | Very low | 36.4 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -143.2 | -163.2 | -19.2 | 34.9 | -9.7 | 0 | 0 | 0 | 117.8 | ||||
| 481 | L | 26.7 | Very low | 35.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 84 | 172.6 | 166.5 | -49.8 | 177.3 | 0 | 0 | 0 | 119.8 | ||||
| 482 | S | 27.2 | Very low | 35.6 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -158.4 | -180 | 9.9 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 483 | Y | 26.5 | Very low | 35.3 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | trans | -153.7 | 177.7 | -162.5 | -23.5 | -78.9 | 0 | 0 | 0 | 119.9 | ||||
| 484 | H | 26.7 | Very low | 35.3 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | 103.9 | 148.1 | 159.1 | -54.3 | -72.5 | 0 | 0 | 0 | 123.5 | ||||
| 485 | V | 31 | Very low | 35.1 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -169.9 | 177.4 | -176 | 67.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 486 | Q | 32.8 | Very low | 35.3 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | 87.9 | 154.6 | 161.4 | -76.4 | 175.2 | -82.1 | 0 | 0 | 123.1 | ||||
| 487 | E | 31.3 | Very low | 34.7 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -178.6 | 176.4 | -18.9 | -169 | 161.3 | -125.9 | 0 | 0 | 115.3 | ||||
| 488 | S | 37.1 | Very low | 35.2 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 84.7 | 164.9 | 161.9 | 83.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 489 | L | 38.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | cis | -164.1 | -179.4 | -6.3 | -127.7 | 174 | 0 | 0 | 0 | 112.7 | ||||
| 490 | Q | 39.1 | Very low | 37.3 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | -152.7 | 139 | -176.5 | -98.9 | -176.4 | -23.3 | 0 | 0 | 120.1 | ||||
| 491 | D | 35.5 | Very low | 38.1 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | 77.2 | 146 | 124 | -136 | 24 | 0 | 0 | 0 | 132.2 | |||||
| 492 | E | 41.8 | Very low | 40 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | 48.2 | 160 | 151.4 | -87.4 | -76.7 | 157 | 0 | 0 | 130.3 | ||||
| 493 | G | 37.6 | Very low | 42.1 | Very low | 56 Ų | 56 | 125.1 Ų | 125.1 | 58% | 0.577 | 69% | 0.685 | S | S | * | * | trans | 126.7 | 143.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 494 | A | 47.1 | Very low | 44.1 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | trans | -157 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 495 | E | 42.5 | Very low | 45.6 | Very low | 158 Ų | 158 | 113.3 Ų | 113.3 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | 100.7 | 0 | 157.1 | -70.3 | -62.1 | 88.8 | 0 | 0 | 127.1 | K27 | K27-E495 WeakPolarHBondContact CE-O 3.4Å; K27-E495 PolarHBondContact NZ-O 3.33Å | ||
| 496 | P | 49.8 | Very low | 46.8 | Very low | 86 Ų | 86 | 114 Ų | 114 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | 0 | -171.5 | 0 | 48.3 | -34.7 | 0 | 0 | 0 | 122.5 | K27 | K27-P496 HydrophobicContact CD-CB 4.39Š| |||
| 497 | T | 36.6 | Very low | 47.8 | Very low | 103 Ų | 103 | 109.5 Ų | 109.5 | 63% | 0.632 | 64% | 0.638 | S | S | * | * | trans | -155.7 | -180 | -170.5 | 58.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 498 | G | 38.8 | Very low | 49 | Very low | 55 Ų | 55 | 104.8 Ų | 104.8 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | trans | -168.3 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 499 | Y | 50.1 | Low | 49.9 | Very low | 139 Ų | 139 | 107.6 Ų | 107.6 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | trans | -139 | 134.4 | -161.7 | -68.8 | -77.7 | 0 | 0 | 0 | 123.2 | M285 | M285-Y499 HydrophobicContact CE-CD1 4.29Š| ||
| 500 | S | 48.7 | Very low | 50.7 | Low | 122 Ų | 122 | 105.8 Ų | 105.8 | 85% | 0.853 | 60% | 0.602 | S | S | * | * | trans | -147.1 | 167 | 137.3 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 501 | A | 55.3 | Low | 51.7 | Low | 35 Ų | 35 | 100.8 Ų | 100.8 | 29% | 0.289 | 58% | 0.582 | S | S | . | * | trans | -145.1 | 111.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | M285 | M285-A501 HydrophobicContact CE-CB 3.58Å; M285-A501 HydrophobicContact CG-CB 4.08Å; M285-A501 HydrophobicContact SD-CB 4Å | ||
| 502 | E | 65.5 | Low | 53.3 | Low | 171 Ų | 171 | 97.4 Ų | 97.4 | 80% | 0.799 | 56% | 0.558 | S | S | * | * | trans | -76 | 149.5 | 138.7 | -62.2 | -167.6 | 127 | 0 | 0 | 108.7 | ||||
| 503 | L | 73.1 | Confident | 54.7 | Low | 17 Ų | 17 | 92.6 Ų | 92.6 | 9% | 0.089 | 54% | 0.538 | C | S | . | . | trans | -93 | 107.8 | 178 | -60.5 | -179.3 | 0 | 0 | 0 | 108.5 | I245 I248 M285 H288 S505 | I245-L503 HydrophobicContact CG2-CD1 4.15Å; I248-L503 HydrophobicContact CD1-CD1 3.63Å; I248-L503 HydrophobicContact CG1-CD1 3.68Å; M285-L503 HydrophobicContact CG-CD2 4.48Å; H288-L503 HydrophobicContact CB-CD1 4.26Å; H288-L503 HydrophobicContact CB-CD2 4.27Å; L503-S505 PolarHBondContact O-N 3.42Å | ||
| 504 | S | 66.6 | Low | 56.5 | Low | 60 Ų | 60 | 90.5 Ų | 90.5 | 42% | 0.42 | 51% | 0.513 | S | S | . | . | trans | -61.6 | 123.3 | -178.8 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | M292 E506 | M292-S504 WeakPolarHBondContact CE-O 3.39Å; S504-E506 PolarHBondContact OG-N 3.17Å | ||
| 505 | S | 59.6 | Low | 57.9 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | trans | -101.1 | 14 | 171.8 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | L503 I508 | L503-S505 PolarHBondContact O-N 3.42Å; S505-I508 WeakPolarHBondContact O-CG1 3.39Å | ||
| 506 | E | 55.7 | Low | 59.9 | Low | 149 Ų | 149 | 88.1 Ų | 88.1 | 70% | 0.696 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 137.2 | -176 | -65.7 | -171.9 | 141.4 | 0 | 0 | 111.8 | K296 S504 | K296-E506 WeakPolarHBondContact CE-O 3.31Å; K296-E506 PolarHBondContact NZ-O 3.19Å; S504-E506 PolarHBondContact OG-N 3.17Å |
| 507 | G | 54.8 | Low | 61.8 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 60% | 0.598 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 19.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R509 | G507-R509 PolarHBondContact O-N 3.2Š|
| 508 | I | 55 | Low | 64.6 | Low | 58 Ų | 58 | 83.4 Ų | 83.4 | 30% | 0.297 | 45% | 0.446 | S | S | . | . | trans | -65.3 | 116 | 169.2 | -62.3 | 175.1 | 0 | 0 | 0 | 108.8 | M292 S505 | M292-I508 HydrophobicContact CE-CD1 4.16Å; M292-I508 HydrophobicContact CE-CG1 3.53Å; M292-I508 HydrophobicContact SD-CD1 3.94Å; M292-I508 HydrophobicContact SD-CG1 3.74Å; S505-I508 WeakPolarHBondContact O-CG1 3.39Å | ||
| 509 | R | 55.6 | Low | 67.3 | Low | 170 Ų | 170 | 81.7 Ų | 81.7 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | trans | -75.8 | 126.7 | 148.2 | -66.6 | -178.2 | 176 | -171.7 | -1.5 | 106.4 | G507 D511 | G507-R509 PolarHBondContact O-N 3.2Å; R509-D511 PolarHBondContact O-N 3.28Å | ||
| 510 | D | 55.2 | Low | 69.4 | Low | 126 Ų | 126 | 75.4 Ų | 75.4 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | trans | -76.1 | 39.7 | -179.3 | -162.4 | 20.7 | 0 | 0 | 0 | 112.2 | R512 | D510-R512 VanDerWaalsContact C-N 3.32Å; D510-R512 PolarHBondContact O-N 3.22Å; D510-R512 VanDerWaalsContact O-N 3.07Å; D510-R512 IonicContact OD1-NE 2.86Å | ||
| 511 | D | 60 | Low | 71.6 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | trans | -79.1 | 82 | 173.5 | -95.7 | -48.6 | 0 | 0 | 0 | 108.3 | R509 N513 | R509-D511 PolarHBondContact O-N 3.28Å; D511-N513 WeakPolarHBondContact CB-ND2 3.43Å; D511-N513 PolarHBondContact O-N 3.4Å; D511-N513 PolarHBondContact OD1-ND2 2.88Å | ||
| 512 | R | 70.6 | Confident | 73.4 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | trans | -68.3 | 46.1 | 169.6 | -65.2 | -178.1 | 167.2 | -133 | 1.7 | 112.3 | E244 D510 E514 E515 | E244-R512 IonicContact OE1-NH1 2.74Å; E244-R512 IonicContact OE1-NH2 2.6Å; D510-R512 VanDerWaalsContact C-N 3.32Å; D510-R512 PolarHBondContact O-N 3.22Å; D510-R512 VanDerWaalsContact O-N 3.07Å; D510-R512 IonicContact OD1-NE 2.86Å; R512-E514 VanDerWaalsContact C-OE2 3.25Å; R512-E514 WeakPolarHBondContact CA-OE2 3.28Å; R512-E514 PolarHBondContact O-N 2.88Å; R512-E514 VanDerWaalsContact O-N 3.17Å; R512-E515 HydrophobicContact CB-CG 4.15Å; R512-E515 WeakPolarHBondContact CD-OE1 3.27Å; R512-E515 IonicContact CZ-OE1 3.84Å; R512-E515 IonicContact NH1-OE1 2.76Å; R512-E515 PolarHBondContact NH1-OE1 2.94Å; R512-E515 WeakPolarHBondContact O-CB 3.36Å; R512-E515 PolarHBondContact O-N 2.84Å | ||
| 513 | N | 70.8 | Confident | 74.7 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 40% | 0.401 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -66.4 | -17.7 | -174.2 | -73.2 | -33.2 | 0 | 0 | 0 | 112.5 | D511 E515 K516 | D511-N513 WeakPolarHBondContact CB-ND2 3.43Å; D511-N513 PolarHBondContact O-N 3.4Å; D511-N513 PolarHBondContact OD1-ND2 2.88Å; N513-E515 PolarHBondContact O-N 3.08Å; N513-K516 PolarHBondContact O-N 2.9Å; N513-K516 PolarHBondContact OD1-NZ 3.44Å |
| 514 | E | 74.3 | Confident | 75.8 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -59 | -32 | 167.1 | 67.7 | -88.8 | -145.9 | 0 | 0 | 113.3 | L223 Y291 R295 R512 K516 R517 | L223-E514 HydrophobicContact CD2-CB 3.97Å; Y291-E514 WeakPolarHBondContact CE2-OE1 3.49Å; Y291-E514 PolarHBondContact OH-OE1 2.6Å; R295-E514 IonicContact CZ-OE2 3.71Å; R295-E514 IonicContact NE-OE2 3.98Å; R295-E514 IonicContact NH2-OE1 3.18Å; R295-E514 IonicContact NH2-OE2 2.6Å; R295-E514 PolarHBondContact NH2-OE2 3.37Å; R512-E514 VanDerWaalsContact C-OE2 3.25Å; R512-E514 WeakPolarHBondContact CA-OE2 3.28Å; R512-E514 PolarHBondContact O-N 2.88Å; R512-E514 VanDerWaalsContact O-N 3.17Å; E514-K516 PolarHBondContact O-N 2.71Å; E514-R517 PolarHBondContact O-N 3.33Å |
| 515 | E | 77.1 | Confident | 77.1 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -72.6 | -19.8 | 179.4 | -63.4 | -179 | 170.9 | 0 | 0 | 112.1 | R512 N513 R569 | R512-E515 HydrophobicContact CB-CG 4.15Å; R512-E515 WeakPolarHBondContact CD-OE1 3.27Å; R512-E515 IonicContact CZ-OE1 3.84Å; R512-E515 IonicContact NH1-OE1 2.76Å; R512-E515 PolarHBondContact NH1-OE1 2.94Å; R512-E515 WeakPolarHBondContact O-CB 3.36Å; R512-E515 PolarHBondContact O-N 2.84Å; N513-E515 PolarHBondContact O-N 3.08Å; E515-R569 VanDerWaalsContact O-CD 3.24Å; E515-R569 WeakPolarHBondContact O-CD 3.45Å; E515-R569 WeakPolarHBondContact O-CG 3.36Å; E515-R569 PolarHBondContact O-NH1 3.36Å |
| 516 | K | 84.5 | Confident | 78.7 | Confident | 148 Ų | 148 | 76.3 Ų | 76.3 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -89.8 | -2.1 | 178.4 | -60.1 | 172.9 | -168.4 | 155.7 | 0 | 113.3 | N513 E514 | N513-K516 PolarHBondContact O-N 2.9Å; N513-K516 PolarHBondContact OD1-NZ 3.44Å; E514-K516 PolarHBondContact O-N 2.71Å |
| 517 | R | 90.3 | Very high | 80.6 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | trans | -67.3 | 145.7 | -175.1 | -67.7 | -177.1 | 76.1 | -162.8 | 4.2 | 112.7 | E87 D88 E514 Y565 R569 | E87-R517 PolarHBondContact O-NH1 2.94Å; E87-R517 PolarHBondContact O-NH2 3.41Å; D88-R517 VanDerWaalsContact CB-NH2 3.34Å; D88-R517 IonicContact OD1-NH2 3.7Å; D88-R517 IonicContact OD2-CZ 2.76Å; D88-R517 IonicContact OD2-NE 2.67Å; D88-R517 IonicContact OD2-NH2 3.37Å; D88-R517 PolarHBondContact OD2-NH2 3Å; E514-R517 PolarHBondContact O-N 3.33Å; R517-Y565 HydrophobicContact CB-CD1 3.74Å; R517-Y565 HydrophobicContact CB-CD2 4.23Å; R517-Y565 HydrophobicContact CB-CE1 3.97Å; R517-Y565 HydrophobicContact CB-CE2 4.41Å; R517-Y565 HydrophobicContact CB-CG 3.89Å; R517-Y565 VanDerWaalsContact CZ-OH 3.32Å; R517-Y565 PolarHBondContact NH2-OH 3.4Å; R517-Y565 VanDerWaalsContact O-CB 3.24Å; R517-Y565 WeakPolarHBondContact O-CB 3.37Å; R517-R569 PolarHBondContact O-NH1 2.86Å; R517-R569 PolarHBondContact O-NH2 3.1Å | ||
| 518 | I | 94.1 | Very high | 82.5 | Confident | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | trans | -130.8 | 155.3 | 174.7 | 50.3 | 162.4 | 0 | 0 | 0 | 107.8 | E522 K523 | I518-E522 HydrophobicContact CB-CB 4.18Å; I518-E522 HydrophobicContact CB-CG 4.06Å; I518-E522 HydrophobicContact CD1-CG 4.23Å; I518-E522 HydrophobicContact CG2-CG 4.28Å; I518-K523 HydrophobicContact CD1-CG 3.71Å; I518-K523 HydrophobicContact CG1-CG 3.8Å; I518-K523 VanDerWaalsContact O-CE 3.3Å; I518-K523 WeakPolarHBondContact O-CE 3.08Å | ||
| 519 | T | 95.6 | Very high | 84.5 | Confident | 18 Ų | 18 | 75.2 Ų | 75.2 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | trans | -69.9 | 158.3 | -176.8 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | D197 A521 E522 K523 D563 Y565 | D197-T519 HydrophobicContact CB-CG2 4.01Å; D197-T519 WeakPolarHBondContact OD2-CA 3.32Å; D197-T519 WeakPolarHBondContact OD2-CB 3.48Å; T519-A521 PolarHBondContact O-N 3.24Å; T519-E522 CarbonylContact O-C 3.52Å; T519-E522 WeakPolarHBondContact O-CA 3.19Å; T519-E522 PolarHBondContact O-N 2.92Å; T519-E522 WeakPolarHBondContact OG1-CB 3.4Å; T519-E522 PolarHBondContact OG1-N 3.36Å; T519-K523 WeakPolarHBondContact O-CG 3.03Å; T519-K523 PolarHBondContact O-N 3.42Å; T519-D563 HydrophobicContact CG2-CB 4.06Å; T519-Y565 HydrophobicContact CG2-CD2 3.93Å; T519-Y565 HydrophobicContact CG2-CE2 4.07Å | ||
| 520 | E | 95.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.4 | -36.2 | 169.8 | -171.9 | 63.3 | -159.7 | 0 | 0 | 110.7 | K193 I194 D197 E522 K523 N524 V527 | K193-E520 HydrophobicContact CB-CG 4.28Å; K193-E520 WeakPolarHBondContact CE-OE2 3.29Å; K193-E520 IonicContact NZ-OE1 2.88Å; K193-E520 PolarHBondContact NZ-OE1 3.03Å; K193-E520 IonicContact NZ-OE2 2.65Å; K193-E520 PolarHBondContact NZ-OE2 3.48Å; I194-E520 HydrophobicContact CG1-CG 4.25Å; D197-E520 PolarHBondContact OD2-N 2.95Å; E520-E522 PolarHBondContact O-N 3.36Å; E520-K523 PolarHBondContact O-N 2.89Å; E520-N524 HydrophobicContact CG-CB 4.31Å; E520-N524 WeakPolarHBondContact O-CA 3.39Å; E520-N524 WeakPolarHBondContact O-CB 3.45Å; E520-N524 PolarHBondContact O-N 2.95Å; E520-N524 WeakPolarHBondContact OE1-CB 3.23Å; E520-N524 PolarHBondContact OE1-ND2 2.85Å; E520-V527 HydrophobicContact CG-CG2 4.33Å |
| 521 | A | 93.4 | Very high | 88.4 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -15.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T519 V527 Q528 L531 | T519-A521 PolarHBondContact O-N 3.24Å; A521-V527 HydrophobicContact CB-CG1 4.5Å; A521-Q528 WeakPolarHBondContact O-CB 3.22Å; A521-Q528 VanDerWaalsContact O-CG 3.31Å; A521-Q528 WeakPolarHBondContact O-CG 3.42Å; A521-L531 HydrophobicContact CB-CD1 3.89Å |
| 522 | E | 94.1 | Very high | 90.1 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -100.5 | -26.9 | 173 | -173 | 168.9 | -165 | 0 | 0 | 111.7 | I518 T519 E520 K566 | I518-E522 HydrophobicContact CB-CB 4.18Å; I518-E522 HydrophobicContact CB-CG 4.06Å; I518-E522 HydrophobicContact CD1-CG 4.23Å; I518-E522 HydrophobicContact CG2-CG 4.28Å; T519-E522 CarbonylContact O-C 3.52Å; T519-E522 WeakPolarHBondContact O-CA 3.19Å; T519-E522 PolarHBondContact O-N 2.92Å; T519-E522 WeakPolarHBondContact OG1-CB 3.4Å; T519-E522 PolarHBondContact OG1-N 3.36Å; E520-E522 PolarHBondContact O-N 3.36Å; E522-K566 VanDerWaalsContact CD-NZ 3.29Å; E522-K566 IonicContact OE1-NZ 2.64Å; E522-K566 PolarHBondContact OE1-NZ 3.15Å; E522-K566 VanDerWaalsContact OE1-NZ 3.16Å; E522-K566 IonicContact OE2-NZ 3.97Å; E522-K566 PolarHBondContact OE2-NZ 2.69Å |
| 523 | K | 93.6 | Very high | 91.3 | Very high | 95 Ų | 95 | 64.4 Ų | 64.4 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.2 | -34.5 | 172 | -67 | 170.9 | -178.5 | 171.8 | 0 | 113.4 | D88 I518 T519 E520 | D88-K523 IonicContact OD2-NZ 3.84Å; D88-K523 PolarHBondContact OD2-NZ 2.89Å; I518-K523 HydrophobicContact CD1-CG 3.71Å; I518-K523 HydrophobicContact CG1-CG 3.8Å; I518-K523 VanDerWaalsContact O-CE 3.3Å; I518-K523 WeakPolarHBondContact O-CE 3.08Å; T519-K523 WeakPolarHBondContact O-CG 3.03Å; T519-K523 PolarHBondContact O-N 3.42Å; E520-K523 PolarHBondContact O-N 2.89Å |
| 524 | N | 94.7 | Very high | 92.5 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | trans | -128 | 97.8 | -159.1 | -172.9 | -21.4 | 0 | 0 | 0 | 111.3 | E520 R526 V527 Q528 | E520-N524 HydrophobicContact CG-CB 4.31Å; E520-N524 WeakPolarHBondContact O-CA 3.39Å; E520-N524 WeakPolarHBondContact O-CB 3.45Å; E520-N524 PolarHBondContact O-N 2.95Å; E520-N524 WeakPolarHBondContact OE1-CB 3.23Å; E520-N524 PolarHBondContact OE1-ND2 2.85Å; N524-R526 PolarHBondContact O-N 2.66Å; N524-R526 WeakPolarHBondContact OD1-CB 3.39Å; N524-R526 PolarHBondContact OD1-N 2.86Å; N524-R526 VanDerWaalsContact OD1-N 3.17Å; N524-V527 HydrophobicContact CB-CB 4.23Å; N524-V527 HydrophobicContact CB-CG2 4.24Å; N524-V527 PolarHBondContact O-N 2.89Å; N524-V527 VanDerWaalsContact O-N 3.08Å; N524-V527 PolarHBondContact OD1-N 3.33Å; N524-Q528 PolarHBondContact O-N 3.39Å | ||
| 525 | E | 94 | Very high | 93.6 | Very high | 133 Ų | 133 | 62.2 Ų | 62.2 | 62% | 0.621 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -54.9 | -25.4 | 179.7 | -61.7 | -175.9 | 179.7 | 0 | 0 | 114.3 | R529 | E525-R529 WeakPolarHBondContact O-CB 3.46Å; E525-R529 WeakPolarHBondContact O-CG 3.34Å; E525-R529 PolarHBondContact O-N 3.44Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 PolarHBondContact O-NE 2.97Å; E525-R529 IonicContact OE2-NH2 2.73Å; E525-R529 PolarHBondContact OE2-NH2 3.26Å |
| 526 | R | 94.2 | Very high | 94.4 | Very high | 95 Ų | 95 | 62.7 Ų | 62.7 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.1 | -55 | 176.3 | -170.2 | -173.6 | -174.7 | -168.8 | 1.1 | 109.3 | E178 N524 Q528 R529 Q530 | E178-R526 PolarHBondContact O-NH2 2.8Å; E178-R526 IonicContact OE2-NH2 2.9Å; E178-R526 PolarHBondContact OE2-NH2 3.39Å; E178-R526 VanDerWaalsContact OE2-NH2 3.08Å; N524-R526 PolarHBondContact O-N 2.66Å; N524-R526 WeakPolarHBondContact OD1-CB 3.39Å; N524-R526 PolarHBondContact OD1-N 2.86Å; N524-R526 VanDerWaalsContact OD1-N 3.17Å; R526-Q528 VanDerWaalsContact C-N 3.27Å; R526-Q528 PolarHBondContact O-N 2.88Å; R526-R529 PolarHBondContact O-N 2.87Å; R526-Q530 HydrophobicContact CG-CG 4.48Å; R526-Q530 VanDerWaalsContact O-CG 3.27Å; R526-Q530 WeakPolarHBondContact O-CG 3.36Å; R526-Q530 PolarHBondContact O-N 2.95Å |
| 527 | V | 94.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 178.4 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L124 I194 E520 A521 N524 R529 Q530 L531 | L124-V527 HydrophobicContact CD2-CG1 4.31Å; I194-V527 HydrophobicContact CD1-CG1 3.9Å; I194-V527 HydrophobicContact CD1-CG2 4.16Å; I194-V527 HydrophobicContact CG1-CG1 3.98Å; E520-V527 HydrophobicContact CG-CG2 4.33Å; A521-V527 HydrophobicContact CB-CG1 4.5Å; N524-V527 HydrophobicContact CB-CB 4.23Å; N524-V527 HydrophobicContact CB-CG2 4.24Å; N524-V527 PolarHBondContact O-N 2.89Å; N524-V527 VanDerWaalsContact O-N 3.08Å; N524-V527 PolarHBondContact OD1-N 3.33Å; V527-R529 PolarHBondContact O-N 3.3Å; V527-Q530 PolarHBondContact O-N 3.45Å; V527-L531 HydrophobicContact CG1-CD1 3.99Å; V527-L531 HydrophobicContact CG1-CG 4.44Å; V527-L531 WeakPolarHBondContact O-CG 3.48Å; V527-L531 PolarHBondContact O-N 3.37Å |
| 528 | Q | 95.8 | Very high | 95.1 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.2 | -49.8 | 175.6 | -161.1 | -175.7 | 44.4 | 0 | 0 | 112.1 | A521 N524 R526 L531 L532 | A521-Q528 WeakPolarHBondContact O-CB 3.22Å; A521-Q528 VanDerWaalsContact O-CG 3.31Å; A521-Q528 WeakPolarHBondContact O-CG 3.42Å; N524-Q528 PolarHBondContact O-N 3.39Å; R526-Q528 VanDerWaalsContact C-N 3.27Å; R526-Q528 PolarHBondContact O-N 2.88Å; Q528-L531 PolarHBondContact O-N 2.88Å; Q528-L532 HydrophobicContact CG-CD1 4.34Å; Q528-L532 VanDerWaalsContact O-CG 3.31Å; Q528-L532 WeakPolarHBondContact O-CG 3.39Å; Q528-L532 PolarHBondContact O-N 3.36Å |
| 529 | R | 96.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 57 Ų | 57 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 177.3 | -77.8 | 177.9 | -85 | 171.1 | -19.5 | 112.9 | E525 R526 V527 L532 T533 | E525-R529 WeakPolarHBondContact O-CB 3.46Å; E525-R529 WeakPolarHBondContact O-CG 3.34Å; E525-R529 PolarHBondContact O-N 3.44Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 PolarHBondContact O-NE 2.97Å; E525-R529 IonicContact OE2-NH2 2.73Å; E525-R529 PolarHBondContact OE2-NH2 3.26Å; R526-R529 PolarHBondContact O-N 2.87Å; V527-R529 PolarHBondContact O-N 3.3Å; R529-L532 PolarHBondContact O-N 2.98Å; R529-T533 WeakPolarHBondContact O-CB 3.43Å; R529-T533 PolarHBondContact O-N 2.97Å; R529-T533 PolarHBondContact O-OG1 3.31Å |
| 530 | Q | 95.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 176.4 | -70.5 | 175.4 | -57.7 | 0 | 0 | 111.2 | L124 W175 R526 V527 T533 L534 | L124-Q530 HydrophobicContact CD1-CB 4.11Å; L124-Q530 HydrophobicContact CD2-CB 4.04Å; W175-Q530 HydrophobicContact CE3-CG 4.32Å; W175-Q530 HydrophobicContact CH2-CB 4.4Å; W175-Q530 HydrophobicContact CH2-CG 4.27Å; W175-Q530 HydrophobicContact CZ3-CB 4.15Å; W175-Q530 HydrophobicContact CZ3-CG 3.67Å; R526-Q530 HydrophobicContact CG-CG 4.48Å; R526-Q530 VanDerWaalsContact O-CG 3.27Å; R526-Q530 WeakPolarHBondContact O-CG 3.36Å; R526-Q530 PolarHBondContact O-N 2.95Å; V527-Q530 PolarHBondContact O-N 3.45Å; Q530-T533 PolarHBondContact O-N 3.25Å; Q530-L534 WeakPolarHBondContact O-CB 3.23Å; Q530-L534 PolarHBondContact O-N 2.94Å |
| 531 | L | 96.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.2 | -68.9 | 171.9 | 0 | 0 | 0 | 112.7 | L124 A521 V527 Q528 L534 S535 | L124-L531 HydrophobicContact CB-CD2 4.31Å; L124-L531 HydrophobicContact CD2-CD2 3.68Å; L124-L531 HydrophobicContact CD2-CG 3.86Å; A521-L531 HydrophobicContact CB-CD1 3.89Å; V527-L531 HydrophobicContact CG1-CD1 3.99Å; V527-L531 HydrophobicContact CG1-CG 4.44Å; V527-L531 WeakPolarHBondContact O-CG 3.48Å; V527-L531 PolarHBondContact O-N 3.37Å; Q528-L531 PolarHBondContact O-N 2.88Å; L531-L534 PolarHBondContact O-N 3.18Å; L531-S535 WeakPolarHBondContact O-CB 3.29Å; L531-S535 PolarHBondContact O-N 3.4Å |
| 532 | L | 96 | Very high | 94.8 | Very high | 115 Ų | 115 | 64.8 Ų | 64.8 | 60% | 0.602 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 175.9 | -72.4 | 169.7 | 0 | 0 | 0 | 112.4 | Q528 R529 S535 S536 | Q528-L532 HydrophobicContact CG-CD1 4.34Å; Q528-L532 VanDerWaalsContact O-CG 3.31Å; Q528-L532 WeakPolarHBondContact O-CG 3.39Å; Q528-L532 PolarHBondContact O-N 3.36Å; R529-L532 PolarHBondContact O-N 2.98Å; L532-S535 PolarHBondContact O-N 2.9Å; L532-S536 PolarHBondContact O-N 3.5Å; L532-S536 VanDerWaalsContact O-N 3.13Å |
| 533 | T | 96.7 | Very high | 94.8 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | W175 R529 Q530 S535 S536 E537 | W175-T533 HydrophobicContact CH2-CG2 4.05Å; W175-T533 HydrophobicContact CZ2-CG2 3.83Å; R529-T533 WeakPolarHBondContact O-CB 3.43Å; R529-T533 PolarHBondContact O-N 2.97Å; R529-T533 PolarHBondContact O-OG1 3.31Å; Q530-T533 PolarHBondContact O-N 3.25Å; T533-S535 PolarHBondContact O-N 3.26Å; T533-S536 WeakPolarHBondContact O-CB 3.47Å; T533-S536 PolarHBondContact O-N 3.46Å; T533-E537 WeakPolarHBondContact O-CB 3.29Å; T533-E537 PolarHBondContact O-N 2.89Å |
| 534 | L | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.9 | -85 | 164.1 | 0 | 0 | 0 | 113.3 | E120 V123 L124 W175 Q530 L531 S536 E537 L538 | E120-L534 HydrophobicContact CB-CB 3.85Å; V123-L534 HydrophobicContact CB-CD1 4.38Å; V123-L534 HydrophobicContact CB-CD2 3.86Å; V123-L534 HydrophobicContact CG1-CD1 4.38Å; V123-L534 HydrophobicContact CG1-CD2 3.51Å; L124-L534 HydrophobicContact CB-CD1 3.73Å; L124-L534 HydrophobicContact CD1-CD1 4.46Å; W175-L534 HydrophobicContact CD2-CD1 4.42Å; W175-L534 HydrophobicContact CZ2-CD1 4.49Å; W175-L534 HydrophobicContact CZ2-CG 3.96Å; W175-L534 VanDerWaalsContact NE1-CD2 3.27Å; Q530-L534 WeakPolarHBondContact O-CB 3.23Å; Q530-L534 PolarHBondContact O-N 2.94Å; L531-L534 PolarHBondContact O-N 3.18Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 2.98Å; L534-E537 PolarHBondContact O-N 3.39Å; L534-L538 WeakPolarHBondContact O-CB 3.29Å; L534-L538 WeakPolarHBondContact O-CG 3.37Å; L534-L538 PolarHBondContact O-N 2.61Å |
| 535 | S | 95.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 67 Ų | 67 | 28% | 0.28 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.9 | -162.4 | 0 | 0 | 0 | 0 | 111.1 | E120 L531 L532 T533 S539 | E120-S535 VanDerWaalsContact OE1-CB 3.24Å; E120-S535 WeakPolarHBondContact OE1-CB 3.44Å; E120-S535 PolarHBondContact OE1-OG 2.88Å; L531-S535 WeakPolarHBondContact O-CB 3.29Å; L531-S535 PolarHBondContact O-N 3.4Å; L532-S535 PolarHBondContact O-N 2.9Å; T533-S535 PolarHBondContact O-N 3.26Å; S535-S539 WeakPolarHBondContact O-CB 3.27Å; S535-S539 PolarHBondContact O-N 3.31Å |
| 536 | S | 95.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 65.4 Ų | 65.4 | 51% | 0.51 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 173.2 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | L532 T533 L534 L538 S539 | L532-S536 PolarHBondContact O-N 3.5Å; L532-S536 VanDerWaalsContact O-N 3.13Å; T533-S536 WeakPolarHBondContact O-CB 3.47Å; T533-S536 PolarHBondContact O-N 3.46Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 2.98Å; S536-L538 VanDerWaalsContact C-N 3.33Å; S536-L538 PolarHBondContact O-N 3.02Å; S536-S539 PolarHBondContact O-N 3.49Å; S536-S539 PolarHBondContact O-OG 3Å |
| 537 | E | 94 | Very high | 94.7 | Very high | 52 Ų | 52 | 64.5 Ų | 64.5 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 178.9 | -95.8 | -172.8 | -128.4 | 0 | 0 | 114.3 | R171 T533 L534 | R171-E537 IonicContact NH1-OE2 3.62Å; R171-E537 PolarHBondContact NH1-OE2 3.44Å; R171-E537 PolarHBondContact NH2-O 3.41Å; T533-E537 WeakPolarHBondContact O-CB 3.29Å; T533-E537 PolarHBondContact O-N 2.89Å; L534-E537 PolarHBondContact O-N 3.39Å |
| 538 | L | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -84.2 | -28 | -177.5 | -66.1 | 176.1 | 0 | 0 | 0 | 112.3 | P119 V123 H161 L163 W168 L534 S536 Q540 A541 R542 | P119-L538 HydrophobicContact CB-CD1 3.86Å; V123-L538 HydrophobicContact CG2-CD1 4.07Å; H161-L538 PolarHBondContact CD2-O 3.33Å; L163-L538 HydrophobicContact CD1-CD2 4.29Å; W168-L538 HydrophobicContact CH2-CD2 3.85Å; W168-L538 HydrophobicContact CZ3-CD2 3.6Å; L534-L538 WeakPolarHBondContact O-CB 3.29Å; L534-L538 WeakPolarHBondContact O-CG 3.37Å; L534-L538 PolarHBondContact O-N 2.61Å; S536-L538 VanDerWaalsContact C-N 3.33Å; S536-L538 PolarHBondContact O-N 3.02Å; L538-Q540 PolarHBondContact O-N 3.5Å; L538-A541 PolarHBondContact O-N 3.37Å; L538-R542 PolarHBondContact O-N 2.99Å; L538-R542 VanDerWaalsContact O-N 3.15Å |
| 539 | S | 93.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 67.5 Ų | 67.5 | 47% | 0.469 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -53.1 | -38.9 | -180 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | S535 S536 A541 R542 | S535-S539 WeakPolarHBondContact O-CB 3.27Å; S535-S539 PolarHBondContact O-N 3.31Å; S536-S539 PolarHBondContact O-N 3.49Å; S536-S539 PolarHBondContact O-OG 3Å; S539-A541 PolarHBondContact O-N 2.96Å; S539-R542 PolarHBondContact O-N 3.43Å |
| 540 | Q | 91 | Very high | 94.9 | Very high | 169 Ų | 169 | 62.7 Ų | 62.7 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.2 | -179 | -59.1 | -178.8 | 7 | 0 | 0 | 113.6 | L538 | L538-Q540 PolarHBondContact O-N 3.5Š|
| 541 | A | 92.9 | Very high | 95 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -3.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H161 K162 L163 L538 S539 | H161-A541 CarbonylContact C-O 3.59Å; H161-A541 VanDerWaalsContact CA-O 3.3Å; H161-A541 WeakPolarHBondContact CA-O 3.3Å; H161-A541 HydrophobicContact CB-CB 4.45Å; K162-A541 PolarHBondContact N-O 3.24Å; L163-A541 HydrophobicContact CD1-CB 4.23Å; L163-A541 HydrophobicContact CD2-CB 3.77Å; L163-A541 HydrophobicContact CG-CB 3.82Å; L538-A541 PolarHBondContact O-N 3.37Å; S539-A541 PolarHBondContact O-N 2.96Å |
| 542 | R | 94.6 | Very high | 95 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 140.6 | -174 | -166.1 | 167.7 | -72.9 | -174.7 | -3 | 111.5 | E120 H161 L538 S539 | E120-R542 IonicContact OE2-CZ 2.8Å; E120-R542 IonicContact OE2-NH2 3.39Å; E120-R542 PolarHBondContact OE2-NH2 2.89Å; H161-R542 PolarHBondContact NE2-NE 3.16Å; L538-R542 PolarHBondContact O-N 2.99Å; L538-R542 VanDerWaalsContact O-N 3.15Å; S539-R542 PolarHBondContact O-N 3.43Å |
| 543 | D | 94.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | trans | -108.3 | 97.3 | 175.3 | -161.2 | 2.2 | 0 | 0 | 0 | 110.1 | Q160 K162 N545 K546 | Q160-D543 PolarHBondContact O-N 3.45Å; K162-D543 VanDerWaalsContact CE-OD2 3.27Å; K162-D543 WeakPolarHBondContact CE-OD2 3.47Å; K162-D543 VanDerWaalsContact NZ-CG 3.29Å; K162-D543 IonicContact NZ-OD1 3.1Å; K162-D543 PolarHBondContact NZ-OD1 2.87Å; K162-D543 IonicContact NZ-OD2 2.75Å; D543-N545 PolarHBondContact O-N 3.13Å; D543-N545 PolarHBondContact OD1-ND2 2.82Å; D543-K546 HydrophobicContact CB-CB 4.48Å; D543-K546 HydrophobicContact CB-CD 4.13Å; D543-K546 HydrophobicContact CB-CG 4.21Å; D543-K546 PolarHBondContact O-N 2.86Å; D543-K546 VanDerWaalsContact OD2-CE 3.32Å; D543-K546 WeakPolarHBondContact OD2-CE 3.36Å | ||
| 544 | E | 92.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 59.1 Ų | 59.1 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -53.7 | -31.3 | -173.9 | -64.9 | -66 | 94.5 | 0 | 0 | 113.6 | K546 R547 | E544-K546 PolarHBondContact O-N 3.28Å; E544-R547 VanDerWaalsContact CD-NE 3.27Å; E544-R547 WeakPolarHBondContact O-CG 3.25Å; E544-R547 IonicContact OE1-CZ 2.89Å; E544-R547 VanDerWaalsContact OE1-CZ 3.23Å; E544-R547 IonicContact OE1-NE 2.69Å; E544-R547 PolarHBondContact OE1-NE 3.37Å; E544-R547 IonicContact OE1-NH2 3.59Å; E544-R547 PolarHBondContact OE1-NH2 2.97Å; E544-R547 IonicContact OE2-CZ 2.85Å; E544-R547 IonicContact OE2-NE 2.72Å; E544-R547 PolarHBondContact OE2-NE 3.38Å; E544-R547 VanDerWaalsContact OE2-NE 3.13Å; E544-R547 IonicContact OE2-NH2 2.88Å; E544-R547 PolarHBondContact OE2-NH2 3.19Å |
| 545 | N | 93.7 | Very high | 95.1 | Very high | 151 Ų | 151 | 61.6 Ų | 61.6 | 81% | 0.807 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -71.3 | -10 | 179.5 | -53.3 | -74.5 | 0 | 0 | 0 | 114 | D543 | D543-N545 PolarHBondContact O-N 3.13Å; D543-N545 PolarHBondContact OD1-ND2 2.82Å |
| 546 | K | 95.8 | Very high | 95.2 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -110.1 | 4.5 | -176.4 | -61.4 | -172.6 | -175.9 | -174.6 | 0 | 113.9 | D159 Q160 D543 E544 T548 | D159-K546 WeakPolarHBondContact O-CD 3.41Å; D159-K546 WeakPolarHBondContact O-CE 3.3Å; D159-K546 PolarHBondContact O-NZ 3.09Å; Q160-K546 HydrophobicContact CB-CB 3.95Å; D543-K546 HydrophobicContact CB-CB 4.48Å; D543-K546 HydrophobicContact CB-CD 4.13Å; D543-K546 HydrophobicContact CB-CG 4.21Å; D543-K546 PolarHBondContact O-N 2.86Å; D543-K546 VanDerWaalsContact OD2-CE 3.32Å; D543-K546 WeakPolarHBondContact OD2-CE 3.36Å; E544-K546 PolarHBondContact O-N 3.28Å; K546-T548 PolarHBondContact O-N 3.44Å |
| 547 | R | 94.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 59.5 Ų | 59.5 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | trans | -59.1 | 125.5 | 172.4 | -68.7 | 174.4 | 173 | -138.5 | 4.3 | 109.5 | E544 D551 I552 N555 | E544-R547 VanDerWaalsContact CD-NE 3.27Å; E544-R547 WeakPolarHBondContact O-CG 3.25Å; E544-R547 IonicContact OE1-CZ 2.89Å; E544-R547 VanDerWaalsContact OE1-CZ 3.23Å; E544-R547 IonicContact OE1-NE 2.69Å; E544-R547 PolarHBondContact OE1-NE 3.37Å; E544-R547 IonicContact OE1-NH2 3.59Å; E544-R547 PolarHBondContact OE1-NH2 2.97Å; E544-R547 IonicContact OE2-CZ 2.85Å; E544-R547 IonicContact OE2-NE 2.72Å; E544-R547 PolarHBondContact OE2-NE 3.38Å; E544-R547 VanDerWaalsContact OE2-NE 3.13Å; E544-R547 IonicContact OE2-NH2 2.88Å; E544-R547 PolarHBondContact OE2-NH2 3.19Å; R547-D551 HydrophobicContact CB-CB 4.33Å; R547-I552 HydrophobicContact CB-CG1 4.34Å; R547-N555 PolarHBondContact NH1-ND2 3.44Å | ||
| 548 | T | 96.8 | Very high | 95.3 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | trans | -79.8 | 167.5 | 173.3 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | R156 K546 N550 D551 I552 | R156-T548 WeakPolarHBondContact CD-OG1 3.36Å; R156-T548 HydrophobicContact CG-CG2 3.78Å; K546-T548 PolarHBondContact O-N 3.44Å; T548-N550 VanDerWaalsContact C-N 3.25Å; T548-N550 PolarHBondContact O-N 3.13Å; T548-D551 WeakPolarHBondContact CA-OD2 3.21Å; T548-D551 VanDerWaalsContact CB-OD2 3.23Å; T548-D551 WeakPolarHBondContact CB-OD2 3.43Å; T548-D551 WeakPolarHBondContact CG2-OD2 3.34Å; T548-D551 PolarHBondContact N-OD2 3.49Å; T548-D551 WeakPolarHBondContact O-CB 3.35Å; T548-D551 PolarHBondContact O-N 2.95Å; T548-D551 PolarHBondContact OG1-N 2.95Å; T548-D551 PolarHBondContact OG1-OD2 3.26Å; T548-I552 WeakPolarHBondContact O-CG1 3.34Å; T548-I552 PolarHBondContact O-N 3.28Å | ||
| 549 | H | 96.9 | Very high | 95.3 | Very high | 105 Ų | 105 | 71.7 Ų | 71.7 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -51.8 | -41.4 | 175.5 | -172.3 | 67.9 | 0 | 0 | 0 | 113.4 | D231 I552 I553 | D231-H549 PolarHBondContact O-CD2 3.37Å; D231-H549 PolarHBondContact O-NE2 2.98Å; H549-I552 PolarHBondContact O-N 3.2Å; H549-I553 WeakPolarHBondContact NE2-CD1 3.34Å; H549-I553 WeakPolarHBondContact O-CG1 3.31Å; H549-I553 PolarHBondContact O-N 3.3Å |
| 550 | N | 97.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.1 | -36.4 | 176.6 | -70.2 | 0.2 | 0 | 0 | 0 | 112.2 | Y116 L234 T548 I552 I553 H554 | Y116-N550 HydrophobicContact CD2-CB 3.45Å; Y116-N550 VanDerWaalsContact CD2-CB 3.45Å; Y116-N550 HydrophobicContact CE2-CB 3.78Å; Y116-N550 HydrophobicContact CG-CB 4.04Å; L234-N550 HydrophobicContact CD1-CB 4.29Å; L234-N550 WeakPolarHBondContact CD1-O 3.33Å; T548-N550 VanDerWaalsContact C-N 3.25Å; T548-N550 PolarHBondContact O-N 3.13Å; N550-I552 VanDerWaalsContact C-N 3.28Å; N550-I552 PolarHBondContact O-N 2.93Å; N550-I553 PolarHBondContact O-N 3.03Å; N550-H554 WeakPolarHBondContact O-CB 3.49Å; N550-H554 PolarHBondContact O-N 3.12Å |
| 551 | D | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 173.5 | -52.3 | -76.5 | 0 | 0 | 0 | 110 | R156 Q160 R547 T548 N555 | R156-D551 IonicContact CZ-OD1 3.39Å; R156-D551 IonicContact NH1-OD1 3.51Å; R156-D551 PolarHBondContact NH1-OD1 2.66Å; Q160-D551 PolarHBondContact NE2-OD1 3.2Å; Q160-D551 VanDerWaalsContact NE2-OD1 3.14Å; R547-D551 HydrophobicContact CB-CB 4.33Å; T548-D551 WeakPolarHBondContact CA-OD2 3.21Å; T548-D551 VanDerWaalsContact CB-OD2 3.23Å; T548-D551 WeakPolarHBondContact CB-OD2 3.43Å; T548-D551 WeakPolarHBondContact CG2-OD2 3.34Å; T548-D551 PolarHBondContact N-OD2 3.49Å; T548-D551 WeakPolarHBondContact O-CB 3.35Å; T548-D551 PolarHBondContact O-N 2.95Å; T548-D551 PolarHBondContact OG1-N 2.95Å; T548-D551 PolarHBondContact OG1-OD2 3.26Å; D551-N555 WeakPolarHBondContact O-CB 3.47Å; D551-N555 PolarHBondContact O-N 3.1Å; D551-N555 PolarHBondContact O-ND2 2.66Å |
| 552 | I | 97.2 | Very high | 95.7 | Very high | 95 Ų | 95 | 70.1 Ų | 70.1 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -50 | 176.8 | -64.3 | 166.8 | 0 | 0 | 0 | 111.2 | R547 T548 H549 N550 H554 N555 E556 | R547-I552 HydrophobicContact CB-CG1 4.34Å; T548-I552 WeakPolarHBondContact O-CG1 3.34Å; T548-I552 PolarHBondContact O-N 3.28Å; H549-I552 PolarHBondContact O-N 3.2Å; N550-I552 VanDerWaalsContact C-N 3.28Å; N550-I552 PolarHBondContact O-N 2.93Å; I552-H554 PolarHBondContact O-N 3.34Å; I552-N555 PolarHBondContact O-N 3.22Å; I552-E556 PolarHBondContact O-N 3.33Å |
| 553 | I | 97.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 70 Ų | 70 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.6 | -67 | 163.6 | 0 | 0 | 0 | 111.2 | D232 L234 H549 N550 E556 N557 | D232-I553 HydrophobicContact CB-CD1 4.09Å; L234-I553 HydrophobicContact CB-CG2 3.97Å; L234-I553 HydrophobicContact CD1-CB 4.15Å; L234-I553 HydrophobicContact CD1-CG2 4Å; L234-I553 HydrophobicContact CG-CG2 4.25Å; H549-I553 WeakPolarHBondContact NE2-CD1 3.34Å; H549-I553 WeakPolarHBondContact O-CG1 3.31Å; H549-I553 PolarHBondContact O-N 3.3Å; N550-I553 PolarHBondContact O-N 3.03Å; I553-E556 PolarHBondContact O-N 3.13Å; I553-N557 PolarHBondContact O-N 2.9Å |
| 554 | H | 97.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 70 Ų | 70 | 10% | 0.102 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 179.6 | 179.9 | 79 | 0 | 0 | 0 | 111.9 | Y116 E199 L234 N550 I552 E556 N557 M558 | Y116-H554 HydrophobicContact CE1-CB 3.56Å; Y116-H554 AromaticContact CE1-CG 3.57Å; Y116-H554 AromaticContact CE1-ND1 3.76Å; Y116-H554 AromaticContact CZ-CG 3.95Å; Y116-H554 WeakPolarHBondContact OH-CB 3.44Å; E199-H554 IonicContact OE1-CE1 2.73Å; E199-H554 IonicContact OE1-CG 3.86Å; E199-H554 IonicContact OE1-ND1 2.82Å; E199-H554 PolarHBondContact OE1-ND1 3.34Å; E199-H554 IonicContact OE2-ND1 3.22Å; L234-H554 HydrophobicContact CD1-CB 3.88Å; N550-H554 WeakPolarHBondContact O-CB 3.49Å; N550-H554 PolarHBondContact O-N 3.12Å; I552-H554 PolarHBondContact O-N 3.34Å; H554-E556 VanDerWaalsContact C-N 3.25Å; H554-E556 PolarHBondContact O-N 3.31Å; H554-N557 PolarHBondContact O-N 3.35Å; H554-M558 WeakPolarHBondContact O-CG 3.43Å; H554-M558 PolarHBondContact O-N 3.48Å |
| 555 | N | 95.8 | Very high | 96 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 175.1 | -80.9 | -70.5 | 0 | 0 | 0 | 111.9 | R547 D551 I552 R559 | R547-N555 PolarHBondContact NH1-ND2 3.44Å; D551-N555 WeakPolarHBondContact O-CB 3.47Å; D551-N555 PolarHBondContact O-N 3.1Å; D551-N555 PolarHBondContact O-ND2 2.66Å; I552-N555 PolarHBondContact O-N 3.22Å; N555-R559 WeakPolarHBondContact O-CB 3.5Å; N555-R559 PolarHBondContact O-N 3.09Å |
| 556 | E | 97.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70 | -42.1 | 176.5 | -175 | 56.6 | -155.9 | 0 | 0 | 112.6 | I552 I553 H554 R559 Q560 | I552-E556 PolarHBondContact O-N 3.33Å; I553-E556 PolarHBondContact O-N 3.13Å; H554-E556 VanDerWaalsContact C-N 3.25Å; H554-E556 PolarHBondContact O-N 3.31Å; E556-R559 WeakPolarHBondContact O-CB 3.37Å; E556-R559 PolarHBondContact O-N 3.3Å; E556-R559 IonicContact OE1-CZ 3.1Å; E556-R559 IonicContact OE1-NE 2.67Å; E556-R559 PolarHBondContact OE1-NE 3.24Å; E556-R559 IonicContact OE1-NH2 2.6Å; E556-R559 PolarHBondContact OE1-NH2 3.28Å; E556-R559 IonicContact OE2-CZ 2.77Å; E556-R559 IonicContact OE2-NE 2.81Å; E556-R559 PolarHBondContact OE2-NE 3.33Å; E556-R559 IonicContact OE2-NH2 2.69Å; E556-R559 PolarHBondContact OE2-NH2 3.37Å; E556-Q560 WeakPolarHBondContact O-CG 3.42Å; E556-Q560 PolarHBondContact O-N 2.89Å; E556-Q560 PolarHBondContact OE1-NE2 3.42Å |
| 557 | N | 96.8 | Very high | 96.2 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.3 | -79.7 | -29.7 | 0 | 0 | 0 | 111.4 | T235 I553 H554 R559 Q560 G561 R562 | T235-N557 PolarHBondContact OG1-ND2 3.33Å; I553-N557 PolarHBondContact O-N 2.9Å; H554-N557 PolarHBondContact O-N 3.35Å; N557-R559 PolarHBondContact O-N 3.16Å; N557-Q560 CarbonylContact O-C 3.59Å; N557-Q560 PolarHBondContact O-N 3.26Å; N557-Q560 VanDerWaalsContact O-N 3.15Å; N557-G561 PolarHBondContact O-N 3.3Å; N557-R562 HydrophobicContact CB-CB 4.12Å; N557-R562 WeakPolarHBondContact O-CB 3.38Å; N557-R562 PolarHBondContact O-N 3.18Å; N557-R562 VanDerWaalsContact OD1-CD 3.24Å; N557-R562 WeakPolarHBondContact OD1-CD 3.48Å; N557-R562 PolarHBondContact OD1-NH1 2.68Å |
| 558 | M | 94.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 58% | 0.576 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 174.5 | -70.1 | -63.8 | -69.1 | 0 | 0 | 111.9 | H554 Q560 G561 | H554-M558 WeakPolarHBondContact O-CG 3.43Å; H554-M558 PolarHBondContact O-N 3.48Å; M558-Q560 VanDerWaalsContact C-N 3.26Å; M558-Q560 PolarHBondContact O-N 3.44Å; M558-G561 PolarHBondContact O-N 3.13Å |
| 559 | R | 95.8 | Very high | 96.1 | Very high | 191 Ų | 191 | 55.5 Ų | 55.5 | 72% | 0.721 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.4 | -32.7 | 174.7 | -172.3 | 176 | 75.2 | 143.5 | 5.6 | 112.8 | N555 E556 N557 G561 | N555-R559 WeakPolarHBondContact O-CB 3.5Å; N555-R559 PolarHBondContact O-N 3.09Å; E556-R559 WeakPolarHBondContact O-CB 3.37Å; E556-R559 PolarHBondContact O-N 3.3Å; E556-R559 IonicContact OE1-CZ 3.1Å; E556-R559 IonicContact OE1-NE 2.67Å; E556-R559 PolarHBondContact OE1-NE 3.24Å; E556-R559 IonicContact OE1-NH2 2.6Å; E556-R559 PolarHBondContact OE1-NH2 3.28Å; E556-R559 IonicContact OE2-CZ 2.77Å; E556-R559 IonicContact OE2-NE 2.81Å; E556-R559 PolarHBondContact OE2-NE 3.33Å; E556-R559 IonicContact OE2-NH2 2.69Å; E556-R559 PolarHBondContact OE2-NH2 3.37Å; N557-R559 PolarHBondContact O-N 3.16Å; R559-G561 VanDerWaalsContact C-N 3.3Å |
| 560 | Q | 95.8 | Very high | 96.1 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.2 | 175.4 | -65.7 | -176.3 | 25.3 | 0 | 0 | 113.6 | E556 N557 M558 R562 | E556-Q560 WeakPolarHBondContact O-CG 3.42Å; E556-Q560 PolarHBondContact O-N 2.89Å; E556-Q560 PolarHBondContact OE1-NE2 3.42Å; N557-Q560 CarbonylContact O-C 3.59Å; N557-Q560 PolarHBondContact O-N 3.26Å; N557-Q560 VanDerWaalsContact O-N 3.15Å; M558-Q560 VanDerWaalsContact C-N 3.26Å; M558-Q560 PolarHBondContact O-N 3.44Å; Q560-R562 VanDerWaalsContact C-N 3.25Å; Q560-R562 HydrophobicContact CB-CG 4.27Å; Q560-R562 PolarHBondContact O-N 3.46Å |
| 561 | G | 94.6 | Very high | 96 | Very high | 52 Ų | 52 | 54 Ų | 54 | 54% | 0.536 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 21.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N557 M558 R559 | N557-G561 PolarHBondContact O-N 3.3Å; M558-G561 PolarHBondContact O-N 3.13Å; R559-G561 VanDerWaalsContact C-N 3.3Å |
| 562 | R | 95.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | trans | -85.7 | 146.6 | 177.6 | -66.7 | 176.8 | 177.9 | 158 | 3.4 | 111.4 | N557 Q560 | N557-R562 HydrophobicContact CB-CB 4.12Å; N557-R562 WeakPolarHBondContact O-CB 3.38Å; N557-R562 PolarHBondContact O-N 3.18Å; N557-R562 VanDerWaalsContact OD1-CD 3.24Å; N557-R562 WeakPolarHBondContact OD1-CD 3.48Å; N557-R562 PolarHBondContact OD1-NH1 2.68Å; Q560-R562 VanDerWaalsContact C-N 3.25Å; Q560-R562 HydrophobicContact CB-CG 4.27Å; Q560-R562 PolarHBondContact O-N 3.46Å | ||
| 563 | D | 95.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | trans | -135.7 | 179.3 | 162.5 | 65.1 | 61.3 | 0 | 0 | 0 | 109.4 | T519 Y565 K566 T567 | T519-D563 HydrophobicContact CG2-CB 4.06Å; D563-Y565 PolarHBondContact O-N 2.73Å; D563-Y565 WeakPolarHBondContact OD1-CA 3.39Å; D563-Y565 PolarHBondContact OD1-N 3.18Å; D563-K566 PolarHBondContact O-N 3.42Å; D563-K566 PolarHBondContact OD1-N 3.26Å; D563-K566 WeakPolarHBondContact OD2-CD 3.4Å; D563-K566 WeakPolarHBondContact OD2-CE 3.37Å; D563-K566 WeakPolarHBondContact OD2-CG 3.49Å; D563-K566 IonicContact OD2-NZ 3.19Å; D563-K566 PolarHBondContact OD2-NZ 2.69Å; D563-T567 VanDerWaalsContact O-CB 3.27Å; D563-T567 WeakPolarHBondContact O-CB 3.33Å; D563-T567 PolarHBondContact O-N 3.31Å; D563-T567 PolarHBondContact O-OG1 3.48Å | ||
| 564 | K | 96.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.3 | -47.8 | 179.3 | -173 | 169.9 | -171.5 | 167.2 | 0 | 113.2 | Q196 D197 L198 Y201 L568 | Q196-K564 PolarHBondContact O-NZ 3.25Å; D197-K564 WeakPolarHBondContact O-CB 3.21Å; D197-K564 WeakPolarHBondContact O-CD 3.36Å; L198-K564 PolarHBondContact O-NZ 3.28Å; Y201-K564 PolarHBondContact O-NZ 2.8Å; Y201-K564 VanDerWaalsContact O-NZ 3.07Å; K564-L568 HydrophobicContact CG-CD1 4.17Å; K564-L568 WeakPolarHBondContact O-CB 3.49Å; K564-L568 WeakPolarHBondContact O-CG 3.41Å; K564-L568 PolarHBondContact O-N 3.24Å |
| 565 | Y | 95.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82 | -35.4 | -175.7 | -54.3 | -63.6 | 0 | 0 | 0 | 112.9 | D197 L223 R517 T519 D563 T567 L568 R569 | D197-Y565 VanDerWaalsContact OD1-CE2 3.26Å; D197-Y565 WeakPolarHBondContact OD1-CE2 3.28Å; D197-Y565 PolarHBondContact OD1-OH 2.82Å; D197-Y565 VanDerWaalsContact OD1-OH 3.05Å; L223-Y565 HydrophobicContact CD1-CE1 4.47Å; R517-Y565 HydrophobicContact CB-CD1 3.74Å; R517-Y565 HydrophobicContact CB-CD2 4.23Å; R517-Y565 HydrophobicContact CB-CE1 3.97Å; R517-Y565 HydrophobicContact CB-CE2 4.41Å; R517-Y565 HydrophobicContact CB-CG 3.89Å; R517-Y565 VanDerWaalsContact CZ-OH 3.32Å; R517-Y565 PolarHBondContact NH2-OH 3.4Å; R517-Y565 VanDerWaalsContact O-CB 3.24Å; R517-Y565 WeakPolarHBondContact O-CB 3.37Å; T519-Y565 HydrophobicContact CG2-CD2 3.93Å; T519-Y565 HydrophobicContact CG2-CE2 4.07Å; D563-Y565 PolarHBondContact O-N 2.73Å; D563-Y565 WeakPolarHBondContact OD1-CA 3.39Å; D563-Y565 PolarHBondContact OD1-N 3.18Å; Y565-T567 VanDerWaalsContact C-N 3.32Å; Y565-L568 HydrophobicContact CD1-CD1 4.37Å; Y565-L568 PolarHBondContact O-N 3.2Å; Y565-R569 WeakPolarHBondContact O-CB 3.4Å; Y565-R569 WeakPolarHBondContact O-CG 3.32Å; Y565-R569 PolarHBondContact O-N 3.18Å |
| 566 | K | 95.6 | Very high | 95.2 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 32% | 0.317 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 170.7 | -70.8 | -178.8 | -175.6 | 84.9 | 0 | 110.6 | E522 D563 Q570 | E522-K566 VanDerWaalsContact CD-NZ 3.29Å; E522-K566 IonicContact OE1-NZ 2.64Å; E522-K566 PolarHBondContact OE1-NZ 3.15Å; E522-K566 VanDerWaalsContact OE1-NZ 3.16Å; E522-K566 IonicContact OE2-NZ 3.97Å; E522-K566 PolarHBondContact OE2-NZ 2.69Å; D563-K566 PolarHBondContact O-N 3.42Å; D563-K566 PolarHBondContact OD1-N 3.26Å; D563-K566 WeakPolarHBondContact OD2-CD 3.4Å; D563-K566 WeakPolarHBondContact OD2-CE 3.37Å; D563-K566 WeakPolarHBondContact OD2-CG 3.49Å; D563-K566 IonicContact OD2-NZ 3.19Å; D563-K566 PolarHBondContact OD2-NZ 2.69Å; K566-Q570 PolarHBondContact O-N 3.25Å; K566-Q570 VanDerWaalsContact O-N 3.08Å |
| 567 | T | 96.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -46.3 | 175.6 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | T235 P236 D563 Y565 R569 Q570 I571 | T235-T567 HydrophobicContact CG2-CG2 4.13Å; P236-T567 HydrophobicContact CG-CG2 4.11Å; D563-T567 VanDerWaalsContact O-CB 3.27Å; D563-T567 WeakPolarHBondContact O-CB 3.33Å; D563-T567 PolarHBondContact O-N 3.31Å; D563-T567 PolarHBondContact O-OG1 3.48Å; Y565-T567 VanDerWaalsContact C-N 3.32Å; T567-R569 VanDerWaalsContact C-N 3.31Å; T567-R569 PolarHBondContact O-N 3.23Å; T567-Q570 WeakPolarHBondContact O-CB 3.46Å; T567-Q570 PolarHBondContact O-N 3.28Å; T567-I571 HydrophobicContact CG2-CG2 4.3Å; T567-I571 WeakPolarHBondContact O-CG2 3.39Å; T567-I571 PolarHBondContact O-N 2.81Å |
| 568 | L | 95.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 175.7 | -77.1 | 170.2 | 0 | 0 | 0 | 112.7 | L223 K564 Y565 I571 R572 | L223-L568 HydrophobicContact CD1-CD1 3.79Å; K564-L568 HydrophobicContact CG-CD1 4.17Å; K564-L568 WeakPolarHBondContact O-CB 3.49Å; K564-L568 WeakPolarHBondContact O-CG 3.41Å; K564-L568 PolarHBondContact O-N 3.24Å; Y565-L568 HydrophobicContact CD1-CD1 4.37Å; Y565-L568 PolarHBondContact O-N 3.2Å; L568-I571 HydrophobicContact CD2-CD1 4.11Å; L568-R572 WeakPolarHBondContact O-CB 3.49Å; L568-R572 VanDerWaalsContact O-CD 3.23Å; L568-R572 WeakPolarHBondContact O-CD 3.48Å; L568-R572 WeakPolarHBondContact O-CG 3.3Å |
| 569 | R | 94.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 170.6 | -83 | -177.3 | -78.2 | -85 | 0.9 | 111.6 | E515 R517 Y565 T567 R572 | E515-R569 VanDerWaalsContact O-CD 3.24Å; E515-R569 WeakPolarHBondContact O-CD 3.45Å; E515-R569 WeakPolarHBondContact O-CG 3.36Å; E515-R569 PolarHBondContact O-NH1 3.36Å; R517-R569 PolarHBondContact O-NH1 2.86Å; R517-R569 PolarHBondContact O-NH2 3.1Å; Y565-R569 WeakPolarHBondContact O-CB 3.4Å; Y565-R569 WeakPolarHBondContact O-CG 3.32Å; Y565-R569 PolarHBondContact O-N 3.18Å; T567-R569 VanDerWaalsContact C-N 3.31Å; T567-R569 PolarHBondContact O-N 3.23Å; R569-R572 PolarHBondContact O-N 3.28Å |
| 570 | Q | 95.4 | Very high | 95.3 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | -176.6 | -173.9 | 176.2 | 1.6 | 0 | 0 | 112.1 | K566 T567 R572 Q573 | K566-Q570 PolarHBondContact O-N 3.25Å; K566-Q570 VanDerWaalsContact O-N 3.08Å; T567-Q570 WeakPolarHBondContact O-CB 3.46Å; T567-Q570 PolarHBondContact O-N 3.28Å; Q570-R572 PolarHBondContact O-N 3.34Å; Q570-R572 VanDerWaalsContact O-N 3.16Å; Q570-Q573 WeakPolarHBondContact O-CB 3.5Å; Q570-Q573 WeakPolarHBondContact O-CG 3.45Å; Q570-Q573 PolarHBondContact O-N 3.4Å |
| 571 | I | 95.5 | Very high | 95.3 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -5.8 | -175.8 | 71.5 | 176.1 | 0 | 0 | 0 | 114.6 | P236 K237 G239 T567 L568 R579 | P236-I571 HydrophobicContact CB-CD1 3.65Å; P236-I571 HydrophobicContact CG-CD1 3.66Å; P236-I571 WeakPolarHBondContact O-CG2 3.35Å; K237-I571 WeakPolarHBondContact O-CG2 3.36Å; G239-I571 PolarHBondContact N-O 3.43Å; T567-I571 HydrophobicContact CG2-CG2 4.3Å; T567-I571 WeakPolarHBondContact O-CG2 3.39Å; T567-I571 PolarHBondContact O-N 2.81Å; L568-I571 HydrophobicContact CD2-CD1 4.11Å; I571-R579 VanDerWaalsContact O-CD 3.23Å; I571-R579 WeakPolarHBondContact O-CD 3.45Å |
| 572 | R | 95.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -1.8 | 177.5 | -69.4 | 174.1 | -175.7 | -155.7 | -8.7 | 112.4 | L223 L568 R569 Q570 R579 | L223-R572 PolarHBondContact O-NH1 3.06Å; L223-R572 PolarHBondContact O-NH2 3.19Å; L568-R572 WeakPolarHBondContact O-CB 3.49Å; L568-R572 VanDerWaalsContact O-CD 3.23Å; L568-R572 WeakPolarHBondContact O-CD 3.48Å; L568-R572 WeakPolarHBondContact O-CG 3.3Å; R569-R572 PolarHBondContact O-N 3.28Å; Q570-R572 PolarHBondContact O-N 3.34Å; Q570-R572 VanDerWaalsContact O-N 3.16Å; R572-R579 PolarHBondContact O-NE 2.97Å; R572-R579 PolarHBondContact O-NH2 2.63Å |
| 573 | Q | 92.5 | Very high | 95.5 | Very high | 133 Ų | 133 | 47 Ų | 47 | 62% | 0.621 | 23% | 0.232 | S | C | * | . | trans | -64.2 | 162.7 | 173.1 | -65.5 | -177.9 | 4.8 | 0 | 0 | 111.4 | Q570 R579 | Q570-Q573 WeakPolarHBondContact O-CB 3.5Å; Q570-Q573 WeakPolarHBondContact O-CG 3.45Å; Q570-Q573 PolarHBondContact O-N 3.4Å; Q573-R579 VanDerWaalsContact O-CD 3.24Å; Q573-R579 WeakPolarHBondContact O-CD 3.4Å; Q573-R579 PolarHBondContact O-NE 3.36Å | ||
| 574 | G | 92.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 71.6 | 169.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R579 | G574-R579 PolarHBondContact O-NE 2.82Å; G574-R579 PolarHBondContact O-NH2 2.89Å |
| 575 | N | 93.6 | Very high | 95.4 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 49% | 0.492 | 26% | 0.255 | S | S | . | . | trans | -79.8 | 161.2 | 177.3 | 62 | 71.4 | 0 | 0 | 0 | 111.4 | K577 Q578 R579 | N575-K577 PolarHBondContact O-N 2.91Å; N575-K577 VanDerWaalsContact O-N 3.16Å; N575-K577 WeakPolarHBondContact OD1-CB 3.45Å; N575-K577 PolarHBondContact OD1-N 3.28Å; N575-Q578 WeakPolarHBondContact O-CB 3.21Å; N575-Q578 PolarHBondContact O-N 3.01Å; N575-Q578 PolarHBondContact OD1-N 3.3Å; N575-R579 PolarHBondContact O-N 2.96Å | ||
| 576 | T | 94.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -30.3 | -177.1 | -44.4 | 0 | 0 | 0 | 0 | 113.2 | F240 E244 P259 A264 I580 | F240-T576 HydrophobicContact CD1-CG2 4Å; F240-T576 HydrophobicContact CE1-CG2 4Å; E244-T576 PolarHBondContact OE2-OG1 2.94Å; P259-T576 HydrophobicContact CB-CG2 3.86Å; A264-T576 HydrophobicContact CB-CG2 4.44Å; T576-I580 HydrophobicContact CG2-CD1 4.2Å; T576-I580 WeakPolarHBondContact O-CD1 3.06Å; T576-I580 VanDerWaalsContact O-CG1 3.26Å; T576-I580 WeakPolarHBondContact O-CG1 3.32Å; T576-I580 PolarHBondContact O-N 3Å |
| 577 | K | 95.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 51 Ų | 51 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -50.9 | 172.9 | 172.9 | 179.6 | 169.2 | -175.3 | 0 | 111.1 | A264 P265 N575 R579 I580 D581 | A264-K577 HydrophobicContact CB-CB 4.19Å; P265-K577 HydrophobicContact CG-CG 4.39Å; N575-K577 PolarHBondContact O-N 2.91Å; N575-K577 VanDerWaalsContact O-N 3.16Å; N575-K577 WeakPolarHBondContact OD1-CB 3.45Å; N575-K577 PolarHBondContact OD1-N 3.28Å; K577-R579 VanDerWaalsContact C-N 3.28Å; K577-R579 PolarHBondContact O-N 3.38Å; K577-I580 WeakPolarHBondContact O-CA 3.21Å; K577-I580 PolarHBondContact O-N 3.45Å; K577-D581 WeakPolarHBondContact CE-OD2 3.46Å; K577-D581 WeakPolarHBondContact CG-OD2 3.18Å; K577-D581 IonicContact NZ-OD2 3.52Å; K577-D581 PolarHBondContact O-N 3.42Å |
| 578 | Q | 96.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53 | -47.9 | 179.8 | -178.8 | -169.1 | -27.4 | 0 | 0 | 111 | N575 I580 D581 E582 | N575-Q578 WeakPolarHBondContact O-CB 3.21Å; N575-Q578 PolarHBondContact O-N 3.01Å; N575-Q578 PolarHBondContact OD1-N 3.3Å; Q578-I580 VanDerWaalsContact C-N 3.27Å; Q578-I580 PolarHBondContact O-N 3.19Å; Q578-D581 PolarHBondContact O-N 3.07Å; Q578-D581 VanDerWaalsContact O-N 3.16Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.48Å; Q578-E582 PolarHBondContact NE2-OE1 3.43Å; Q578-E582 WeakPolarHBondContact O-CB 3.18Å; Q578-E582 VanDerWaalsContact O-CG 3.31Å; Q578-E582 WeakPolarHBondContact O-CG 3.3Å; Q578-E582 PolarHBondContact O-N 3.37Å |
| 579 | R | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -25 | 178.3 | -76.7 | -178.2 | -89.1 | 121.7 | -2 | 114 | I238 G239 F240 E244 I571 R572 Q573 G574 N575 K577 F583 | I238-R579 HydrophobicContact CG2-CB 3.82Å; I238-R579 HydrophobicContact CG2-CG 4.19Å; I238-R579 WeakPolarHBondContact CG2-O 3.36Å; G239-R579 WeakPolarHBondContact O-CD 3.37Å; G239-R579 PolarHBondContact O-NH1 3.45Å; F240-R579 HydrophobicContact CE1-CB 3.66Å; F240-R579 HydrophobicContact CZ-CB 3.88Å; E244-R579 IonicContact OE1-CZ 4Å; E244-R579 IonicContact OE1-NH1 2.71Å; E244-R579 IonicContact OE1-NH2 3.29Å; E244-R579 PolarHBondContact OE1-NH2 3.09Å; E244-R579 IonicContact OE2-CZ 2.91Å; E244-R579 IonicContact OE2-NH1 2.71Å; E244-R579 PolarHBondContact OE2-NH1 2.78Å; E244-R579 IonicContact OE2-NH2 3.18Å; E244-R579 PolarHBondContact OE2-NH2 2.7Å; E244-R579 VanDerWaalsContact OE2-NH2 3.12Å; I571-R579 VanDerWaalsContact O-CD 3.23Å; I571-R579 WeakPolarHBondContact O-CD 3.45Å; R572-R579 PolarHBondContact O-NE 2.97Å; R572-R579 PolarHBondContact O-NH2 2.63Å; Q573-R579 VanDerWaalsContact O-CD 3.24Å; Q573-R579 WeakPolarHBondContact O-CD 3.4Å; Q573-R579 PolarHBondContact O-NE 3.36Å; G574-R579 PolarHBondContact O-NE 2.82Å; G574-R579 PolarHBondContact O-NH2 2.89Å; N575-R579 PolarHBondContact O-N 2.96Å; K577-R579 VanDerWaalsContact C-N 3.28Å; K577-R579 PolarHBondContact O-N 3.38Å; R579-F583 PolarHBondContact O-N 3.07Å |
| 580 | I | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.4 | -40.1 | 171.9 | -65.5 | 165.6 | 0 | 0 | 0 | 111.2 | F240 P265 F267 T576 K577 Q578 E582 F583 E584 | F240-I580 HydrophobicContact CE1-CG1 3.88Å; F240-I580 HydrophobicContact CZ-CG1 3.8Å; P265-I580 HydrophobicContact CG-CB 4.23Å; P265-I580 HydrophobicContact CG-CD1 4.15Å; P265-I580 HydrophobicContact CG-CG2 3.9Å; P265-I580 VanDerWaalsContact O-CD1 3.24Å; P265-I580 WeakPolarHBondContact O-CD1 3.18Å; F267-I580 HydrophobicContact CB-CD1 3.81Å; F267-I580 HydrophobicContact CB-CG1 3.98Å; F267-I580 HydrophobicContact CD2-CG1 4.22Å; F267-I580 HydrophobicContact CG-CG1 4.41Å; T576-I580 HydrophobicContact CG2-CD1 4.2Å; T576-I580 WeakPolarHBondContact O-CD1 3.06Å; T576-I580 VanDerWaalsContact O-CG1 3.26Å; T576-I580 WeakPolarHBondContact O-CG1 3.32Å; T576-I580 PolarHBondContact O-N 3Å; K577-I580 WeakPolarHBondContact O-CA 3.21Å; K577-I580 PolarHBondContact O-N 3.45Å; Q578-I580 VanDerWaalsContact C-N 3.27Å; Q578-I580 PolarHBondContact O-N 3.19Å; I580-E582 VanDerWaalsContact C-N 3.3Å; I580-E582 PolarHBondContact O-N 3.33Å; I580-F583 WeakPolarHBondContact O-CB 3.43Å; I580-F583 PolarHBondContact O-N 2.96Å; I580-E584 PolarHBondContact O-N 2.91Å; I580-E584 VanDerWaalsContact O-N 3.11Å |
| 581 | D | 95.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 175.3 | -66.9 | -21.7 | 0 | 0 | 0 | 110.6 | K577 Q578 E584 A585 | K577-D581 WeakPolarHBondContact CE-OD2 3.46Å; K577-D581 WeakPolarHBondContact CG-OD2 3.18Å; K577-D581 IonicContact NZ-OD2 3.52Å; K577-D581 PolarHBondContact O-N 3.42Å; Q578-D581 PolarHBondContact O-N 3.07Å; Q578-D581 VanDerWaalsContact O-N 3.16Å; D581-E584 CarbonylContact O-C 3.51Å; D581-E584 PolarHBondContact O-N 2.72Å; D581-A585 WeakPolarHBondContact O-CB 3.01Å; D581-A585 PolarHBondContact O-N 2.66Å |
| 582 | E | 96.7 | Very high | 95.2 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 171 | -74.1 | 164.9 | 179.7 | 0 | 0 | 112.5 | I238 Q578 I580 E584 A585 L586 | I238-E582 HydrophobicContact CD1-CB 3.89Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.48Å; Q578-E582 PolarHBondContact NE2-OE1 3.43Å; Q578-E582 WeakPolarHBondContact O-CB 3.18Å; Q578-E582 VanDerWaalsContact O-CG 3.31Å; Q578-E582 WeakPolarHBondContact O-CG 3.3Å; Q578-E582 PolarHBondContact O-N 3.37Å; I580-E582 VanDerWaalsContact C-N 3.3Å; I580-E582 PolarHBondContact O-N 3.33Å; E582-E584 VanDerWaalsContact C-N 3.33Å; E582-E584 PolarHBondContact O-N 2.57Å; E582-A585 WeakPolarHBondContact O-CA 3.25Å; E582-A585 VanDerWaalsContact O-CB 3.27Å; E582-A585 WeakPolarHBondContact O-CB 3.47Å; E582-A585 PolarHBondContact O-N 2.84Å; E582-L586 PolarHBondContact O-N 2.83Å |
| 583 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 176.8 | 168.1 | -95 | 0 | 0 | 0 | 113 | I208 N210 L216 I227 I238 F267 V268 F269 R579 I580 A585 | I208-F583 HydrophobicContact CD1-CE2 4.02Å; I208-F583 HydrophobicContact CD1-CZ 4.21Å; N210-F583 HydrophobicContact CB-CD1 4.03Å; N210-F583 HydrophobicContact CB-CE1 3.36Å; N210-F583 HydrophobicContact CB-CE2 4.21Å; N210-F583 HydrophobicContact CB-CZ 3.47Å; N210-F583 VanDerWaalsContact CB-CZ 3.47Å; N210-F583 PolarHBondContact ND2-O 3.36Å; L216-F583 HydrophobicContact CD1-CD2 4.05Å; L216-F583 HydrophobicContact CD1-CE2 3.58Å; L216-F583 HydrophobicContact CD1-CZ 4.29Å; I227-F583 HydrophobicContact CD1-CD2 4.38Å; I227-F583 HydrophobicContact CD1-CE2 4.22Å; I227-F583 HydrophobicContact CG1-CD2 4.02Å; I227-F583 HydrophobicContact CG1-CE2 4.33Å; I227-F583 HydrophobicContact CG2-CD2 3.94Å; I227-F583 HydrophobicContact CG2-CE2 4.02Å; I238-F583 VanDerWaalsContact CD1-CA 3.43Å; I238-F583 HydrophobicContact CD1-CB 3.77Å; I238-F583 VanDerWaalsContact CD1-N 3.31Å; F267-F583 HydrophobicContact CD2-CD1 4.13Å; F267-F583 HydrophobicContact CD2-CE1 4.38Å; F267-F583 HydrophobicContact CD2-CG 4.43Å; F267-F583 HydrophobicContact CE2-CB 4.37Å; F267-F583 AromaticContact CE2-CD1 3.57Å; F267-F583 HydrophobicContact CE2-CD1 3.57Å; F267-F583 AromaticContact CE2-CD2 3.84Å; F267-F583 HydrophobicContact CE2-CD2 3.84Å; F267-F583 AromaticContact CE2-CE1 3.66Å; F267-F583 HydrophobicContact CE2-CE1 3.66Å; F267-F583 AromaticContact CE2-CE2 3.93Å; F267-F583 HydrophobicContact CE2-CE2 3.93Å; F267-F583 AromaticContact CE2-CG 3.65Å; F267-F583 HydrophobicContact CE2-CG 3.65Å; F267-F583 AromaticContact CE2-CZ 3.85Å; F267-F583 HydrophobicContact CE2-CZ 3.85Å; F267-F583 HydrophobicContact CZ-CD2 4.34Å; F267-F583 HydrophobicContact CZ-CE2 4.2Å; F267-F583 HydrophobicContact CZ-CZ 4.3Å; V268-F583 WeakPolarHBondContact O-CE1 3.35Å; F269-F583 HydrophobicContact CB-CE1 4.46Å; F269-F583 HydrophobicContact CB-CZ 3.9Å; R579-F583 PolarHBondContact O-N 3.07Å; I580-F583 WeakPolarHBondContact O-CB 3.43Å; I580-F583 PolarHBondContact O-N 2.96Å; F583-A585 VanDerWaalsContact C-N 3.27Å |
| 584 | E | 95.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.4 | 172.2 | -55.9 | -64.9 | 178.2 | 0 | 0 | 112.3 | K211 K212 I580 D581 E582 | K211-E584 VanDerWaalsContact CB-OE2 3.23Å; K211-E584 WeakPolarHBondContact CB-OE2 3.46Å; K211-E584 WeakPolarHBondContact CG-OE1 3.4Å; K211-E584 WeakPolarHBondContact CG-OE2 3.32Å; K211-E584 PolarHBondContact N-OE2 2.75Å; K211-E584 IonicContact NZ-OE1 3.47Å; K211-E584 PolarHBondContact NZ-OE1 3.36Å; K212-E584 WeakPolarHBondContact CD-O 3.28Å; K212-E584 WeakPolarHBondContact CE-O 2.96Å; K212-E584 PolarHBondContact NZ-O 2.83Å; I580-E584 PolarHBondContact O-N 2.91Å; I580-E584 VanDerWaalsContact O-N 3.11Å; D581-E584 CarbonylContact O-C 3.51Å; D581-E584 PolarHBondContact O-N 2.72Å; E582-E584 VanDerWaalsContact C-N 3.33Å; E582-E584 PolarHBondContact O-N 2.57Å |
| 585 | A | 95.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -29.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K212 D581 E582 F583 | K212-A585 PolarHBondContact NZ-O 3.34Å; D581-A585 WeakPolarHBondContact O-CB 3.01Å; D581-A585 PolarHBondContact O-N 2.66Å; E582-A585 WeakPolarHBondContact O-CA 3.25Å; E582-A585 VanDerWaalsContact O-CB 3.27Å; E582-A585 WeakPolarHBondContact O-CB 3.47Å; E582-A585 PolarHBondContact O-N 2.84Å; F583-A585 VanDerWaalsContact C-N 3.27Å |
| 586 | L | 92.5 | Very high | 95.9 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | trans | -56.7 | 0 | 165.1 | -56.5 | 174.6 | 0 | 0 | 0 | 112.2 | N210 K212 T214 L216 I238 E582 | N210-L586 PolarHBondContact ND2-OXT 2.73Å; K212-L586 WeakPolarHBondContact CD-OXT 3.39Å; K212-L586 PolarHBondContact NZ-OXT 2.83Å; T214-L586 WeakPolarHBondContact CB-O 3.36Å; T214-L586 WeakPolarHBondContact CG2-O 3.49Å; T214-L586 VanDerWaalsContact OG1-C 3.32Å; T214-L586 PolarHBondContact OG1-O 2.75Å; T214-L586 PolarHBondContact OG1-OXT 2.67Å; L216-L586 HydrophobicContact CD1-CB 4.37Å; L216-L586 HydrophobicContact CD1-CD1 4Å; L216-L586 HydrophobicContact CD2-CB 4.47Å; L216-L586 HydrophobicContact CD2-CD1 3.98Å; I238-L586 HydrophobicContact CD1-CD1 4.08Å; E582-L586 PolarHBondContact O-N 2.83Å |
Retrieved 586 of 586 residues in 886 ms
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