| 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 | 55.8 | Low | 88.7 | Confident | 234 Ų | 234 | 69.7 Ų | 69.7 | 100% | 1.153 | 36% | 0.359 | S | S | * | . | 0 | 148.5 | 0 | -64.5 | 173.3 | -178.2 | 0 | 0 | 108.7 | |||||
| 2 | P | 64.3 | Low | 89.4 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 139.1 | 170.1 | 27.9 | -34.1 | 0 | 0 | 0 | 110 | T4 | P2-T4 PolarHBondContact O-N 2.95Š|
| 3 | K | 83.8 | Confident | 89.7 | Confident | 186 Ų | 186 | 66.9 Ų | 66.9 | 81% | 0.809 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 117.8 | 176.7 | -170.6 | 173.8 | -177.1 | 176.7 | 0 | 108.9 | P22 | K3-P22 WeakPolarHBondContact O-CG 3.46Š|
| 4 | T | 91.7 | Very high | 90.1 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 45% | 0.454 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 161 | 176.3 | 47 | 0 | 0 | 0 | 0 | 111.7 | P2 A19 I20 | P2-T4 PolarHBondContact O-N 2.95Å; T4-A19 HydrophobicContact CG2-CB 4.49Å; T4-I20 WeakPolarHBondContact CA-O 3.42Å |
| 5 | V | 94.1 | Very high | 90.6 | Very high | 35 Ų | 35 | 68 Ų | 68 | 21% | 0.212 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.2 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 108 | A19 I20 P22 T66 L76 | V5-A19 WeakPolarHBondContact O-CA 3.45Å; V5-I20 HydrophobicContact CB-CG1 3.97Å; V5-I20 PolarHBondContact N-O 3.22Å; V5-I20 PolarHBondContact O-N 3.45Å; V5-P22 HydrophobicContact CG2-CG 4.49Å; V5-T66 HydrophobicContact CG2-CG2 4.33Å; V5-L76 HydrophobicContact CG1-CD1 3.56Å; V5-L76 HydrophobicContact CG1-CG 3.95Å |
| 6 | S | 96.1 | Very high | 91 | Very high | 37 Ų | 37 | 65.5 Ų | 65.5 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.3 | 175.6 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | P75 L76 | S6-P75 WeakPolarHBondContact O-CA 3.46Å; S6-L76 PolarHBondContact O-N 3.14Å |
| 7 | V | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136 | -176.7 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | V9 E17 F18 I20 L29 L76 F78 | V7-V9 HydrophobicContact CG1-CG2 3.97Å; V7-E17 WeakPolarHBondContact O-CA 3.43Å; V7-F18 PolarHBondContact N-O 3.44Å; V7-F18 PolarHBondContact O-N 3.34Å; V7-I20 HydrophobicContact CG2-CB 4.45Å; V7-I20 HydrophobicContact CG2-CD1 3.74Å; V7-I20 HydrophobicContact CG2-CG1 3.71Å; V7-I20 HydrophobicContact CG2-CG2 4.04Å; V7-L29 HydrophobicContact CG1-CD1 4.03Å; V7-L29 HydrophobicContact CG1-CD2 4.39Å; V7-L76 WeakPolarHBondContact CA-O 3.44Å; V7-L76 HydrophobicContact CG2-CB 4.44Å; V7-F78 HydrophobicContact CG1-CD2 3.6Å; V7-F78 HydrophobicContact CG1-CE2 3.72Å |
| 8 | R | 98.3 | Very high | 91.6 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 25% | 0.249 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127 | 168.2 | -173.8 | -173.6 | -66.2 | -164.3 | 6.1 | 109.4 | I10 E15 L16 E17 P75 L76 F77 F78 | R8-I10 HydrophobicContact CG-CG1 4.2Å; R8-E15 VanDerWaalsContact CD-OE2 3.3Å; R8-E15 WeakPolarHBondContact CD-OE2 3.36Å; R8-E15 IonicContact CZ-OE2 3.92Å; R8-E15 IonicContact NE-OE2 2.66Å; R8-E15 IonicContact NH1-OE2 3.16Å; R8-E15 PolarHBondContact NH1-OE2 3.18Å; R8-L16 CarbonylContact C-O 3.54Å; R8-L16 WeakPolarHBondContact CA-O 3.39Å; R8-E17 HydrophobicContact CB-CG 4.04Å; R8-E17 HydrophobicContact CG-CG 3.92Å; R8-E17 IonicContact CZ-OE1 2.85Å; R8-E17 IonicContact NE-OE1 3.93Å; R8-E17 PolarHBondContact NE-OE1 3.46Å; R8-E17 IonicContact NH2-OE1 2.59Å; R8-E17 PolarHBondContact NH2-OE1 3.37Å; R8-P75 HydrophobicContact CB-CB 4.03Å; R8-P75 HydrophobicContact CB-CG 3.75Å; R8-L76 PolarHBondContact N-O 3.04Å; R8-F77 HydrophobicContact CB-CD1 4.26Å; R8-F77 HydrophobicContact CB-CE1 4.42Å; R8-F78 PolarHBondContact O-N 2.93Å |
| 9 | V | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | V7 L16 F18 L29 V33 L47 F78 F80 | V7-V9 HydrophobicContact CG1-CG2 3.97Å; V9-L16 HydrophobicContact CB-CB 4.47Å; V9-L16 PolarHBondContact N-O 3.05Å; V9-L16 PolarHBondContact O-N 2.91Å; V9-F18 HydrophobicContact CG2-CE1 4.35Å; V9-F18 HydrophobicContact CG2-CZ 4.18Å; V9-L29 HydrophobicContact CG2-CD1 4.35Å; V9-V33 HydrophobicContact CB-CG2 4.01Å; V9-V33 HydrophobicContact CG1-CG1 4.12Å; V9-V33 HydrophobicContact CG1-CG2 3.84Å; V9-V33 HydrophobicContact CG2-CG2 3.75Å; V9-L47 HydrophobicContact CG1-CD2 3.48Å; V9-L47 VanDerWaalsContact CG1-CD2 3.48Å; V9-L47 HydrophobicContact CG2-CD2 4.4Å; V9-F78 WeakPolarHBondContact CA-O 3.49Å; V9-F78 HydrophobicContact CG2-CB 4.33Å; V9-F80 HydrophobicContact CG1-CB 3.91Å |
| 10 | I | 98.2 | Very high | 92.1 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.4 | -178.8 | -54 | 176.9 | 0 | 0 | 0 | 108.3 | R8 E15 F78 K79 F80 R81 | R8-I10 HydrophobicContact CG-CG1 4.2Å; I10-E15 WeakPolarHBondContact CD1-OE1 3.37Å; I10-E15 HydrophobicContact CG1-CG 4.08Å; I10-E15 HydrophobicContact CG2-CG 4.3Å; I10-F78 PolarHBondContact N-O 2.88Å; I10-K79 CarbonylContact O-C 3.53Å; I10-K79 WeakPolarHBondContact O-CA 3.4Å; I10-F80 PolarHBondContact O-N 2.88Å; I10-R81 PolarHBondContact O-NH1 3.44Å |
| 11 | T | 97.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | trans | -82.9 | -148.7 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 109.6 | D13 A14 I37 F80 R81 | T11-D13 WeakPolarHBondContact CB-OD1 3.37Å; T11-D13 PolarHBondContact OG1-N 3.04Å; T11-D13 VanDerWaalsContact OG1-N 3.09Å; T11-D13 PolarHBondContact OG1-OD1 3.38Å; T11-A14 PolarHBondContact N-O 3.16Å; T11-A14 PolarHBondContact OG1-N 3.25Å; T11-A14 PolarHBondContact OG1-O 3.28Å; T11-I37 HydrophobicContact CG2-CG2 4.43Å; T11-F80 HydrophobicContact CG2-CB 4.13Å; T11-F80 HydrophobicContact CG2-CD1 4.27Å; T11-F80 HydrophobicContact CG2-CG 4.47Å; T11-R81 PolarHBondContact O-NH1 2.92Å; T11-R81 PolarHBondContact O-NH2 3.33Å | ||
| 12 | M | 97.1 | Very high | 94 | Very high | 36 Ų | 36 | 55 Ų | 55 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -90.7 | -14.5 | 165.2 | -63.6 | -55.4 | -45.6 | 0 | 0 | 113.1 | R81 L101 L104 Q105 E108 | M12-R81 PolarHBondContact SD-NE 3.32Å; M12-R81 PolarHBondContact SD-NH2 3.17Å; M12-L101 HydrophobicContact CB-CD2 3.8Å; M12-L101 HydrophobicContact CG-CD2 4.06Å; M12-L104 HydrophobicContact CB-CB 3.55Å; M12-L104 HydrophobicContact CB-CD1 3.73Å; M12-L104 HydrophobicContact CB-CG 4.3Å; M12-L104 HydrophobicContact CE-CB 4.06Å; M12-L104 HydrophobicContact CG-CB 3.9Å; M12-Q105 HydrophobicContact CE-CB 4.48Å; M12-Q105 HydrophobicContact CG-CB 4.11Å; M12-Q105 HydrophobicContact SD-CB 3.76Å; M12-Q105 HydrophobicContact SD-CG 4.24Å; M12-E108 HydrophobicContact CE-CB 3.92Å; M12-E108 HydrophobicContact CE-CG 4.38Å |
| 13 | D | 93.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -140.8 | -5 | -162.2 | 58.4 | -13.9 | 0 | 0 | 0 | 114.4 | T11 R100 L101 L104 | T11-D13 WeakPolarHBondContact CB-OD1 3.37Å; T11-D13 PolarHBondContact OG1-N 3.04Å; T11-D13 VanDerWaalsContact OG1-N 3.09Å; T11-D13 PolarHBondContact OG1-OD1 3.38Å; D13-R100 IonicContact OD2-CZ 3.1Å; D13-R100 IonicContact OD2-NE 3.09Å; D13-R100 PolarHBondContact OD2-NE 2.92Å; D13-R100 IonicContact OD2-NH2 3.21Å; D13-R100 PolarHBondContact OD2-NH2 3.49Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.28Å; D13-L104 HydrophobicContact CB-CD1 3.91Å |
| 14 | A | 95.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | trans | -151.3 | 153.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T11 | T11-A14 PolarHBondContact N-O 3.16Å; T11-A14 PolarHBondContact OG1-N 3.25Å; T11-A14 PolarHBondContact OG1-O 3.28Å | ||
| 15 | E | 97 | Very high | 96.4 | Very high | 109 Ų | 109 | 44.6 Ų | 44.6 | 51% | 0.509 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.5 | 162 | -58.4 | -156.9 | 161.8 | 0 | 0 | 109.4 | R8 I10 | R8-E15 VanDerWaalsContact CD-OE2 3.3Å; R8-E15 WeakPolarHBondContact CD-OE2 3.36Å; R8-E15 IonicContact CZ-OE2 3.92Å; R8-E15 IonicContact NE-OE2 2.66Å; R8-E15 IonicContact NH1-OE2 3.16Å; R8-E15 PolarHBondContact NH1-OE2 3.18Å; I10-E15 WeakPolarHBondContact CD1-OE1 3.37Å; I10-E15 HydrophobicContact CG1-CG 4.08Å; I10-E15 HydrophobicContact CG2-CG 4.3Å |
| 16 | L | 96.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.4 | 177 | -54.8 | 179.9 | 0 | 0 | 0 | 109.2 | R8 V9 F18 V33 T36 I37 | R8-L16 CarbonylContact C-O 3.54Å; R8-L16 WeakPolarHBondContact CA-O 3.39Å; V9-L16 HydrophobicContact CB-CB 4.47Å; V9-L16 PolarHBondContact N-O 3.05Å; V9-L16 PolarHBondContact O-N 2.91Å; L16-F18 HydrophobicContact CB-CD1 4.27Å; L16-F18 HydrophobicContact CB-CE1 3.98Å; L16-V33 HydrophobicContact CD1-CG1 4.19Å; L16-T36 HydrophobicContact CD1-CG2 3.94Å; L16-T36 HydrophobicContact CD2-CG2 3.78Å; L16-I37 HydrophobicContact CD1-CG2 4.25Å |
| 17 | E | 96.6 | Very high | 96.6 | Very high | 107 Ų | 107 | 45.9 Ų | 45.9 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.7 | 170.4 | -72.8 | -156.2 | 171.9 | 0 | 0 | 111.8 | V7 R8 | V7-E17 WeakPolarHBondContact O-CA 3.43Å; R8-E17 HydrophobicContact CB-CG 4.04Å; R8-E17 HydrophobicContact CG-CG 3.92Å; R8-E17 IonicContact CZ-OE1 2.85Å; R8-E17 IonicContact NE-OE1 3.93Å; R8-E17 PolarHBondContact NE-OE1 3.46Å; R8-E17 IonicContact NH2-OE1 2.59Å; R8-E17 PolarHBondContact NH2-OE1 3.37Å |
| 18 | F | 95.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 164.1 | 174.1 | 50.4 | -91.8 | 0 | 0 | 0 | 112.1 | V7 V9 L16 I20 L29 Q32 V33 | V7-F18 PolarHBondContact N-O 3.44Å; V7-F18 PolarHBondContact O-N 3.34Å; V9-F18 HydrophobicContact CG2-CE1 4.35Å; V9-F18 HydrophobicContact CG2-CZ 4.18Å; L16-F18 HydrophobicContact CB-CD1 4.27Å; L16-F18 HydrophobicContact CB-CE1 3.98Å; F18-I20 HydrophobicContact CD2-CG2 3.94Å; F18-I20 HydrophobicContact CE2-CG2 3.87Å; F18-L29 HydrophobicContact CE2-CD1 3.41Å; F18-L29 VanDerWaalsContact CE2-CD1 3.41Å; F18-L29 HydrophobicContact CZ-CD1 3.52Å; F18-Q32 VanDerWaalsContact CD2-NE2 3.25Å; F18-Q32 HydrophobicContact CE2-CG 4.09Å; F18-Q32 VanDerWaalsContact CE2-OE1 3.29Å; F18-Q32 HydrophobicContact CZ-CG 4.08Å; F18-V33 HydrophobicContact CE1-CG2 4.37Å; F18-V33 HydrophobicContact CZ-CG2 4.02Å |
| 19 | A | 96.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 51% | 0.512 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T4 V5 | T4-A19 HydrophobicContact CG2-CB 4.49Å; V5-A19 WeakPolarHBondContact O-CA 3.45Å |
| 20 | I | 96.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 162.7 | 173.8 | 70.5 | 170.3 | 0 | 0 | 0 | 111.5 | T4 V5 V7 F18 T24 L29 V65 | T4-I20 WeakPolarHBondContact CA-O 3.42Å; V5-I20 HydrophobicContact CB-CG1 3.97Å; V5-I20 PolarHBondContact N-O 3.22Å; V5-I20 PolarHBondContact O-N 3.45Å; V7-I20 HydrophobicContact CG2-CB 4.45Å; V7-I20 HydrophobicContact CG2-CD1 3.74Å; V7-I20 HydrophobicContact CG2-CG1 3.71Å; V7-I20 HydrophobicContact CG2-CG2 4.04Å; F18-I20 HydrophobicContact CD2-CG2 3.94Å; F18-I20 HydrophobicContact CE2-CG2 3.87Å; I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.28Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; I20-L29 HydrophobicContact CG2-CD1 4.24Å; I20-V65 HydrophobicContact CD1-CB 3.89Å; I20-V65 HydrophobicContact CD1-CG1 4.04Å; I20-V65 HydrophobicContact CD1-CG2 4.01Å |
| 21 | Q | 95.7 | Very high | 96.6 | Very high | 78 Ų | 78 | 48 Ų | 48 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -83.7 | 151.1 | 172.1 | -66.4 | -63.6 | -22.6 | 0 | 0 | 110.5 | S23 T24 | Q21-S23 WeakPolarHBondContact CB-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.84Å; Q21-T24 PolarHBondContact N-OG1 2.82Å; Q21-T24 VanDerWaalsContact N-OG1 3.13Å; Q21-T24 VanDerWaalsContact O-CB 3.25Å; Q21-T24 WeakPolarHBondContact O-CB 3.31Å; Q21-T24 PolarHBondContact O-N 3.23Å; Q21-T24 PolarHBondContact O-OG1 3.49Å; Q21-T24 VanDerWaalsContact O-OG1 3.13Å | ||
| 22 | P | 93.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.9 | 174.6 | -26.2 | 35.6 | 0 | 0 | 0 | 114.6 | K3 V5 T66 | K3-P22 WeakPolarHBondContact O-CG 3.46Å; V5-P22 HydrophobicContact CG2-CG 4.49Å; P22-T66 PolarHBondContact O-OG1 3Å |
| 23 | S | 94.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 50 Ų | 50 | 49% | 0.49 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16.6 | 174.6 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | Q21 T25 | Q21-S23 WeakPolarHBondContact CB-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.84Å; S23-T25 PolarHBondContact O-N 3.06Å |
| 24 | T | 97.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | trans | -58.2 | 131.3 | -171.5 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | I20 Q21 Q28 L29 K64 V65 | I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.28Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; Q21-T24 PolarHBondContact N-OG1 2.82Å; Q21-T24 VanDerWaalsContact N-OG1 3.13Å; Q21-T24 VanDerWaalsContact O-CB 3.25Å; Q21-T24 WeakPolarHBondContact O-CB 3.31Å; Q21-T24 PolarHBondContact O-N 3.23Å; Q21-T24 PolarHBondContact O-OG1 3.49Å; Q21-T24 VanDerWaalsContact O-OG1 3.13Å; T24-Q28 HydrophobicContact CG2-CB 3.83Å; T24-L29 HydrophobicContact CG2-CB 4.41Å; T24-K64 CarbonylContact O-C 3.5Å; T24-K64 WeakPolarHBondContact O-CA 3.41Å; T24-V65 PolarHBondContact O-N 2.94Å | ||
| 25 | T | 98.1 | Very high | 96.8 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 26% | 0.258 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -82.3 | 159.6 | 176.6 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | S23 K27 Q28 L29 K63 | S23-T25 PolarHBondContact O-N 3.06Å; T25-K27 PolarHBondContact O-N 2.85Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.36Å; T25-Q28 PolarHBondContact OG1-N 3.01Å; T25-Q28 VanDerWaalsContact OG1-N 3.12Å; T25-Q28 PolarHBondContact OG1-OE1 3.34Å; T25-L29 PolarHBondContact O-N 2.98Å; T25-K63 CarbonylContact C-O 3.57Å; T25-K63 WeakPolarHBondContact CA-O 3.34Å |
| 26 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F30 L61 K63 | G26-F30 WeakPolarHBondContact O-CB 3.29Å; G26-F30 PolarHBondContact O-N 3.47Å; G26-L61 PolarHBondContact N-O 3.45Å; G26-K63 PolarHBondContact N-O 3.36Å |
| 27 | K | 97.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 173.3 | -174 | 57.7 | 164.9 | 73.6 | 0 | 110.7 | T25 L29 F30 D31 L61 | T25-K27 PolarHBondContact O-N 2.85Å; K27-L29 PolarHBondContact O-N 3.3Å; K27-F30 PolarHBondContact O-N 3.44Å; K27-D31 WeakPolarHBondContact CD-OD1 3.32Å; K27-D31 WeakPolarHBondContact CE-OD1 3.39Å; K27-D31 WeakPolarHBondContact CG-OD2 3.45Å; K27-D31 IonicContact NZ-OD1 3.66Å; K27-D31 PolarHBondContact NZ-OD1 3.44Å; K27-D31 IonicContact NZ-OD2 2.66Å; K27-D31 PolarHBondContact NZ-OD2 2.96Å; K27-D31 VanDerWaalsContact O-CB 3.26Å; K27-D31 WeakPolarHBondContact O-CB 3.43Å; K27-D31 PolarHBondContact O-N 3.2Å; K27-L61 HydrophobicContact CB-CB 3.97Å; K27-L61 WeakPolarHBondContact CB-O 3.34Å; K27-L61 HydrophobicContact CD-CB 4.4Å; K27-L61 HydrophobicContact CD-CD1 4.25Å; K27-L61 PolarHBondContact N-O 2.93Å |
| 28 | Q | 97.9 | Very high | 96.5 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.7 | -73.7 | 169.3 | -36.9 | 0 | 0 | 112.6 | T24 T25 Q32 | T24-Q28 HydrophobicContact CG2-CB 3.83Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.36Å; T25-Q28 PolarHBondContact OG1-N 3.01Å; T25-Q28 VanDerWaalsContact OG1-N 3.12Å; T25-Q28 PolarHBondContact OG1-OE1 3.34Å; Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 2.93Å |
| 29 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.2 | 173.9 | 58.8 | 0 | 0 | 0 | 111.7 | V7 V9 F18 I20 T24 T25 K27 V33 L47 L59 V65 F78 | V7-L29 HydrophobicContact CG1-CD1 4.03Å; V7-L29 HydrophobicContact CG1-CD2 4.39Å; V9-L29 HydrophobicContact CG2-CD1 4.35Å; F18-L29 HydrophobicContact CE2-CD1 3.41Å; F18-L29 VanDerWaalsContact CE2-CD1 3.41Å; F18-L29 HydrophobicContact CZ-CD1 3.52Å; I20-L29 HydrophobicContact CG2-CD1 4.24Å; T24-L29 HydrophobicContact CG2-CB 4.41Å; T25-L29 PolarHBondContact O-N 2.98Å; K27-L29 PolarHBondContact O-N 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 3.02Å; L29-L47 HydrophobicContact CB-CD1 4.47Å; L29-L47 HydrophobicContact CD2-CD1 3.98Å; L29-L47 HydrophobicContact CG-CD1 3.71Å; L29-L59 HydrophobicContact CD2-CD2 3.92Å; L29-V65 HydrophobicContact CB-CG2 4.02Å; L29-V65 HydrophobicContact CD2-CG1 4.08Å; L29-V65 HydrophobicContact CD2-CG2 3.77Å; L29-F78 HydrophobicContact CD2-CD2 4.3Å; L29-F78 HydrophobicContact CD2-CE1 4.48Å; L29-F78 HydrophobicContact CD2-CE2 4.03Å; L29-F78 HydrophobicContact CD2-CZ 4.14Å |
| 30 | F | 98.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -46 | 177.4 | 179 | -82.9 | 0 | 0 | 0 | 112.1 | G26 K27 Q32 V33 V34 V42 F45 L47 L61 F80 | G26-F30 WeakPolarHBondContact O-CB 3.29Å; G26-F30 PolarHBondContact O-N 3.47Å; K27-F30 PolarHBondContact O-N 3.44Å; F30-Q32 VanDerWaalsContact C-N 3.28Å; F30-Q32 PolarHBondContact O-N 3.41Å; F30-V33 WeakPolarHBondContact O-CB 3.42Å; F30-V33 PolarHBondContact O-N 2.83Å; F30-V33 VanDerWaalsContact O-N 3.11Å; F30-V34 HydrophobicContact CD1-CG1 4.1Å; F30-V34 HydrophobicContact CD1-CG2 4.35Å; F30-V34 HydrophobicContact CE1-CG1 3.59Å; F30-V34 HydrophobicContact CE1-CG2 4.16Å; F30-V34 HydrophobicContact CE2-CG1 4.28Å; F30-V34 HydrophobicContact CZ-CG1 3.71Å; F30-V34 PolarHBondContact O-N 3.36Å; F30-V42 HydrophobicContact CE1-CB 3.74Å; F30-V42 HydrophobicContact CE1-CG1 3.82Å; F30-V42 HydrophobicContact CZ-CB 3.95Å; F30-V42 HydrophobicContact CZ-CG1 4.31Å; F30-F45 HydrophobicContact CE2-CB 4.16Å; F30-F45 HydrophobicContact CZ-CB 4.28Å; F30-L47 HydrophobicContact CB-CD1 4.09Å; F30-L47 HydrophobicContact CD2-CD1 4.48Å; F30-L47 HydrophobicContact CD2-CG 4.28Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.23Å; F30-L61 HydrophobicContact CG-CD2 4.01Å; F30-F80 HydrophobicContact CD2-CE2 4.18Å; F30-F80 HydrophobicContact CE2-CD2 4.46Å; F30-F80 AromaticContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CZ-CE2 4.18Å |
| 31 | D | 97.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 178.9 | -70.7 | -14.1 | 0 | 0 | 0 | 111.8 | K27 K35 | K27-D31 WeakPolarHBondContact CD-OD1 3.32Å; K27-D31 WeakPolarHBondContact CE-OD1 3.39Å; K27-D31 WeakPolarHBondContact CG-OD2 3.45Å; K27-D31 IonicContact NZ-OD1 3.66Å; K27-D31 PolarHBondContact NZ-OD1 3.44Å; K27-D31 IonicContact NZ-OD2 2.66Å; K27-D31 PolarHBondContact NZ-OD2 2.96Å; K27-D31 VanDerWaalsContact O-CB 3.26Å; K27-D31 WeakPolarHBondContact O-CB 3.43Å; K27-D31 PolarHBondContact O-N 3.2Å; D31-K35 VanDerWaalsContact O-CB 3.29Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 WeakPolarHBondContact O-CG 3.28Å; D31-K35 PolarHBondContact O-N 3.05Å; D31-K35 VanDerWaalsContact O-N 3.12Å |
| 32 | Q | 97.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.7 | -176.3 | 170 | -1.5 | 0 | 0 | 111.2 | F18 Q28 F30 T36 | F18-Q32 VanDerWaalsContact CD2-NE2 3.25Å; F18-Q32 HydrophobicContact CE2-CG 4.09Å; F18-Q32 VanDerWaalsContact CE2-OE1 3.29Å; F18-Q32 HydrophobicContact CZ-CG 4.08Å; Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 2.93Å; F30-Q32 VanDerWaalsContact C-N 3.28Å; F30-Q32 PolarHBondContact O-N 3.41Å; Q32-T36 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact O-OG1 3.31Å |
| 33 | V | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -52.8 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | V9 L16 F18 L29 F30 K35 T36 I37 L47 F80 | V9-V33 HydrophobicContact CB-CG2 4.01Å; V9-V33 HydrophobicContact CG1-CG1 4.12Å; V9-V33 HydrophobicContact CG1-CG2 3.84Å; V9-V33 HydrophobicContact CG2-CG2 3.75Å; L16-V33 HydrophobicContact CD1-CG1 4.19Å; F18-V33 HydrophobicContact CE1-CG2 4.37Å; F18-V33 HydrophobicContact CZ-CG2 4.02Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 3.02Å; F30-V33 WeakPolarHBondContact O-CB 3.42Å; F30-V33 PolarHBondContact O-N 2.83Å; F30-V33 VanDerWaalsContact O-N 3.11Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.34Å; V33-T36 PolarHBondContact O-N 3.39Å; V33-I37 WeakPolarHBondContact O-CG1 3.49Å; V33-I37 PolarHBondContact O-N 3.49Å; V33-L47 HydrophobicContact CG2-CD2 4.49Å; V33-F80 HydrophobicContact CG1-CB 4.4Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.07Å; V33-F80 HydrophobicContact CG1-CG 4.06Å |
| 34 | V | 97.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -34.3 | -174.6 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | F30 I37 G38 L39 V42 F80 | F30-V34 HydrophobicContact CD1-CG1 4.1Å; F30-V34 HydrophobicContact CD1-CG2 4.35Å; F30-V34 HydrophobicContact CE1-CG1 3.59Å; F30-V34 HydrophobicContact CE1-CG2 4.16Å; F30-V34 HydrophobicContact CE2-CG1 4.28Å; F30-V34 HydrophobicContact CZ-CG1 3.71Å; F30-V34 PolarHBondContact O-N 3.36Å; V34-I37 WeakPolarHBondContact O-CG1 3.02Å; V34-I37 PolarHBondContact O-N 2.89Å; V34-G38 PolarHBondContact O-N 3.04Å; V34-G38 VanDerWaalsContact O-N 3.07Å; V34-L39 HydrophobicContact CB-CB 4.41Å; V34-L39 HydrophobicContact CG1-CD2 4.35Å; V34-L39 PolarHBondContact O-N 2.82Å; V34-V42 HydrophobicContact CB-CG1 4.19Å; V34-V42 HydrophobicContact CG1-CG1 4.19Å; V34-V42 HydrophobicContact CG2-CG1 3.88Å; V34-F80 HydrophobicContact CG1-CE2 3.57Å; V34-F80 HydrophobicContact CG1-CZ 3.66Å |
| 35 | K | 95.6 | Very high | 96.9 | Very high | 170 Ų | 170 | 44.3 Ų | 44.3 | 74% | 0.739 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.6 | -41 | 171.9 | -73.9 | 178.1 | 178.1 | -171.2 | 0 | 112.4 | D31 V33 I37 G38 | D31-K35 VanDerWaalsContact O-CB 3.29Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 WeakPolarHBondContact O-CG 3.28Å; D31-K35 PolarHBondContact O-N 3.05Å; D31-K35 VanDerWaalsContact O-N 3.12Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.34Å; K35-I37 VanDerWaalsContact C-N 3.25Å; K35-I37 PolarHBondContact O-N 2.71Å; K35-G38 PolarHBondContact O-N 3.45Å |
| 36 | T | 95.3 | Very high | 96.9 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.6 | -29.1 | 177.3 | -64.1 | 0 | 0 | 0 | 0 | 113 | L16 Q32 V33 | L16-T36 HydrophobicContact CD1-CG2 3.94Å; L16-T36 HydrophobicContact CD2-CG2 3.78Å; Q32-T36 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact O-OG1 3.31Å; V33-T36 PolarHBondContact O-N 3.39Å |
| 37 | I | 94.4 | Very high | 97 | Very high | 34 Ų | 34 | 42.8 Ų | 42.8 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 5 | 178.9 | 68.5 | 179.7 | 0 | 0 | 0 | 114.4 | T11 L16 V33 V34 K35 L39 F80 L101 | T11-I37 HydrophobicContact CG2-CG2 4.43Å; L16-I37 HydrophobicContact CD1-CG2 4.25Å; V33-I37 WeakPolarHBondContact O-CG1 3.49Å; V33-I37 PolarHBondContact O-N 3.49Å; V34-I37 WeakPolarHBondContact O-CG1 3.02Å; V34-I37 PolarHBondContact O-N 2.89Å; K35-I37 VanDerWaalsContact C-N 3.25Å; K35-I37 PolarHBondContact O-N 2.71Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CD1-CB 4.08Å; I37-L39 HydrophobicContact CD1-CD1 4.34Å; I37-L39 HydrophobicContact CG1-CB 3.85Å; I37-L39 PolarHBondContact O-N 2.93Å; I37-F80 HydrophobicContact CD1-CD1 4.31Å; I37-F80 HydrophobicContact CD1-CE1 3.84Å; I37-F80 HydrophobicContact CD1-CZ 4.18Å; I37-L101 HydrophobicContact CD1-CD1 4.07Å |
| 38 | G | 94.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 18.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | V34 K35 Q95 | V34-G38 PolarHBondContact O-N 3.04Å; V34-G38 VanDerWaalsContact O-N 3.07Å; K35-G38 PolarHBondContact O-N 3.45Å; G38-Q95 PolarHBondContact O-NE2 2.98Å |
| 39 | L | 96.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | trans | -94.1 | 125 | -171.9 | -169.8 | 147.9 | 0 | 0 | 0 | 112.3 | V34 I37 V42 F45 L101 | V34-L39 HydrophobicContact CB-CB 4.41Å; V34-L39 HydrophobicContact CG1-CD2 4.35Å; V34-L39 PolarHBondContact O-N 2.82Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CD1-CB 4.08Å; I37-L39 HydrophobicContact CD1-CD1 4.34Å; I37-L39 HydrophobicContact CG1-CB 3.85Å; I37-L39 PolarHBondContact O-N 2.93Å; L39-V42 HydrophobicContact CD2-CG1 4.26Å; L39-F45 HydrophobicContact CD1-CD2 4.1Å; L39-F45 HydrophobicContact CD1-CE2 3.59Å; L39-F45 HydrophobicContact CD1-CZ 3.88Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.96Å; L39-F45 HydrophobicContact CG-CE2 4.35Å; L39-L101 HydrophobicContact CD1-CD1 3.78Å | ||
| 40 | R | 96.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | trans | -105 | -25.6 | 178.5 | -60.4 | 177.9 | 63.9 | 177.6 | 0.9 | 112.9 | V42 E301 M305 | R40-V42 PolarHBondContact O-N 3.45Å; R40-E301 IonicContact CZ-OE1 3.8Å; R40-E301 IonicContact NE-OE1 3.88Å; R40-E301 IonicContact NH2-OE1 2.81Å; R40-E301 PolarHBondContact NH2-OE1 2.89Å; R40-M305 HydrophobicContact CB-CE 3.64Å; R40-M305 HydrophobicContact CB-SD 3.81Å | ||
| 41 | E | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -75.5 | 48.8 | 178.8 | -62.2 | 172.7 | 83.3 | 0 | 0 | 113 | W43 Y44 F45 I94 Q95 T98 M305 | E41-W43 HydrophobicContact CB-CH2 4.27Å; E41-W43 HydrophobicContact CB-CZ2 3.98Å; E41-W43 HydrophobicContact CG-CH2 4.05Å; E41-W43 HydrophobicContact CG-CZ2 3.86Å; E41-W43 PolarHBondContact O-N 2.79Å; E41-Y44 HydrophobicContact CB-CD2 4.07Å; E41-Y44 HydrophobicContact CB-CE2 4.03Å; E41-F45 WeakPolarHBondContact O-CD2 3.47Å; E41-I94 PolarHBondContact OE1-N 2.76Å; E41-I94 PolarHBondContact OE2-N 3.24Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.26Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.46Å; E41-Q95 PolarHBondContact OE2-N 2.86Å; E41-T98 HydrophobicContact CB-CG2 4.12Å; E41-T98 VanDerWaalsContact CD-OG1 3.31Å; E41-T98 WeakPolarHBondContact OE2-CB 3.27Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.39Å; E41-T98 PolarHBondContact OE2-OG1 3.42Å; E41-M305 HydrophobicContact CG-CE 3.4Å; E41-M305 VanDerWaalsContact CG-CE 3.4Å | ||
| 42 | V | 96.7 | Very high | 96 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.7 | -23.7 | -169 | -67.1 | 0 | 0 | 0 | 0 | 114.2 | F30 V34 L39 R40 Y44 F45 | F30-V42 HydrophobicContact CE1-CB 3.74Å; F30-V42 HydrophobicContact CE1-CG1 3.82Å; F30-V42 HydrophobicContact CZ-CB 3.95Å; F30-V42 HydrophobicContact CZ-CG1 4.31Å; V34-V42 HydrophobicContact CB-CG1 4.19Å; V34-V42 HydrophobicContact CG1-CG1 4.19Å; V34-V42 HydrophobicContact CG2-CG1 3.88Å; L39-V42 HydrophobicContact CD2-CG1 4.26Å; R40-V42 PolarHBondContact O-N 3.45Å; V42-Y44 VanDerWaalsContact C-N 3.28Å; V42-Y44 PolarHBondContact O-N 3.43Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-F45 VanDerWaalsContact O-N 3.12Å |
| 43 | W | 95.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 20% | 0.197 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -67.9 | -21.3 | -171.7 | 51.1 | 81.9 | 0 | 0 | 0 | 114.2 | E41 F84 L290 R293 V302 M305 | E41-W43 HydrophobicContact CB-CH2 4.27Å; E41-W43 HydrophobicContact CB-CZ2 3.98Å; E41-W43 HydrophobicContact CG-CH2 4.05Å; E41-W43 HydrophobicContact CG-CZ2 3.86Å; E41-W43 PolarHBondContact O-N 2.79Å; W43-F84 WeakPolarHBondContact O-CD2 3.27Å; W43-L290 HydrophobicContact CB-CD2 4.12Å; W43-L290 HydrophobicContact CG-CD2 4.08Å; W43-R293 VanDerWaalsContact CD2-NH1 3.31Å; W43-V302 HydrophobicContact CH2-CG2 3.9Å; W43-V302 HydrophobicContact CZ2-CG2 4.45Å; W43-M305 HydrophobicContact CH2-CE 4.01Å; W43-M305 HydrophobicContact CH2-SD 4.43Å |
| 44 | Y | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -76.3 | -27.2 | 172.9 | -57.6 | -58.7 | 0 | 0 | 0 | 113.4 | E41 V42 K83 F84 E92 L93 T98 F102 | E41-Y44 HydrophobicContact CB-CD2 4.07Å; E41-Y44 HydrophobicContact CB-CE2 4.03Å; V42-Y44 VanDerWaalsContact C-N 3.28Å; V42-Y44 PolarHBondContact O-N 3.43Å; Y44-K83 PolarHBondContact O-N 3.05Å; Y44-F84 PolarHBondContact O-N 2.94Å; Y44-E92 WeakPolarHBondContact OH-CB 3.48Å; Y44-E92 PolarHBondContact OH-O 3.06Å; Y44-L93 HydrophobicContact CD2-CD2 4.32Å; Y44-L93 HydrophobicContact CE2-CD2 3.76Å; Y44-T98 HydrophobicContact CD2-CG2 4.1Å; Y44-T98 HydrophobicContact CE2-CG2 4.29Å; Y44-F102 HydrophobicContact CD1-CE2 4.37Å; Y44-F102 HydrophobicContact CD1-CZ 4.04Å; Y44-F102 AromaticContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CZ 4.23Å; Y44-F102 HydrophobicContact CE2-CE2 4.43Å; Y44-F102 AromaticContact CG-CE2 3.71Å; Y44-F102 HydrophobicContact CG-CE2 3.71Å; Y44-F102 AromaticContact CG-CZ 3.73Å; Y44-F102 HydrophobicContact CG-CZ 3.73Å |
| 45 | F | 98.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 163.9 | -159.6 | -64 | -85.8 | 0 | 0 | 0 | 114.4 | F30 L39 E41 V42 F80 R81 A82 T98 L101 F102 | F30-F45 HydrophobicContact CE2-CB 4.16Å; F30-F45 HydrophobicContact CZ-CB 4.28Å; L39-F45 HydrophobicContact CD1-CD2 4.1Å; L39-F45 HydrophobicContact CD1-CE2 3.59Å; L39-F45 HydrophobicContact CD1-CZ 3.88Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.96Å; L39-F45 HydrophobicContact CG-CE2 4.35Å; E41-F45 WeakPolarHBondContact O-CD2 3.47Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-F45 VanDerWaalsContact O-N 3.12Å; F45-F80 HydrophobicContact CB-CE1 3.94Å; F45-F80 HydrophobicContact CB-CE2 3.8Å; F45-F80 HydrophobicContact CB-CZ 3.38Å; F45-F80 HydrophobicContact CD1-CD1 4.05Å; F45-F80 AromaticContact CD1-CE1 3.34Å; F45-F80 HydrophobicContact CD1-CE1 3.34Å; F45-F80 AromaticContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD2-CE1 4.4Å; F45-F80 HydrophobicContact CD2-CZ 4.17Å; F45-F80 AromaticContact CE1-CE1 3.94Å; F45-F80 HydrophobicContact CE1-CE1 3.94Å; F45-F80 AromaticContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.48Å; F45-F80 HydrophobicContact CG-CZ 3.48Å; F45-F80 VanDerWaalsContact CG-CZ 3.48Å; F45-R81 WeakPolarHBondContact CA-O 3.29Å; F45-A82 HydrophobicContact CD1-CB 4.24Å; F45-A82 HydrophobicContact CE1-CB 4.07Å; F45-T98 HydrophobicContact CE2-CG2 4.02Å; F45-T98 HydrophobicContact CZ-CG2 4.14Å; F45-L101 HydrophobicContact CE1-CB 4.03Å; F45-L101 HydrophobicContact CE1-CD1 4.08Å; F45-L101 HydrophobicContact CZ-CB 4.2Å; F45-L101 HydrophobicContact CZ-CD1 4.29Å; F45-F102 HydrophobicContact CE2-CE2 4.37Å; F45-F102 HydrophobicContact CZ-CD2 4.13Å; F45-F102 AromaticContact CZ-CE2 3.97Å; F45-F102 HydrophobicContact CZ-CE2 3.97Å |
| 46 | G | 97.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 169.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R81 | G46-R81 PolarHBondContact N-O 2.98Å; G46-R81 PolarHBondContact O-N 3.25Å; G46-R81 VanDerWaalsContact O-N 3.12Å |
| 47 | L | 98.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.2 | 169.3 | -69.4 | 168.3 | 0 | 0 | 0 | 109.2 | V9 L29 F30 V33 L59 F78 F80 | V9-L47 HydrophobicContact CG1-CD2 3.48Å; V9-L47 VanDerWaalsContact CG1-CD2 3.48Å; V9-L47 HydrophobicContact CG2-CD2 4.4Å; L29-L47 HydrophobicContact CB-CD1 4.47Å; L29-L47 HydrophobicContact CD2-CD1 3.98Å; L29-L47 HydrophobicContact CG-CD1 3.71Å; F30-L47 HydrophobicContact CB-CD1 4.09Å; F30-L47 HydrophobicContact CD2-CD1 4.48Å; F30-L47 HydrophobicContact CD2-CG 4.28Å; V33-L47 HydrophobicContact CG2-CD2 4.49Å; L47-L59 HydrophobicContact CB-CB 3.99Å; L47-L59 HydrophobicContact CB-CD2 4.05Å; L47-L59 HydrophobicContact CD1-CD2 3.8Å; L47-L59 WeakPolarHBondContact O-CB 3.45Å; L47-L59 PolarHBondContact O-N 3.02Å; L47-F78 HydrophobicContact CB-CB 4.49Å; L47-F78 HydrophobicContact CB-CD1 4.19Å; L47-F78 HydrophobicContact CD2-CB 4.11Å; L47-F80 HydrophobicContact CD2-CB 4.09Å; L47-F80 HydrophobicContact CD2-CD2 3.99Å |
| 48 | Q | 97.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 44 Ų | 44 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.1 | 176.8 | -166.5 | -174.6 | 110.2 | 0 | 0 | 109.8 | S56 T57 W58 F78 K79 | Q48-S56 VanDerWaalsContact CG-OG 3.24Å; Q48-S56 WeakPolarHBondContact CG-OG 3.41Å; Q48-S56 PolarHBondContact OE1-OG 3.01Å; Q48-T57 CarbonylContact C-O 3.58Å; Q48-T57 VanDerWaalsContact CA-O 3.31Å; Q48-T57 WeakPolarHBondContact CA-O 3.48Å; Q48-W58 HydrophobicContact CB-CD2 4.45Å; Q48-W58 HydrophobicContact CB-CE3 3.91Å; Q48-W58 HydrophobicContact CB-CH2 4.38Å; Q48-W58 HydrophobicContact CB-CZ3 3.88Å; Q48-F78 CarbonylContact O-C 3.51Å; Q48-F78 VanDerWaalsContact O-CA 3.28Å; Q48-F78 WeakPolarHBondContact O-CA 3.21Å; Q48-K79 HydrophobicContact CB-CB 4.47Å; Q48-K79 PolarHBondContact N-O 2.71Å; Q48-K79 PolarHBondContact O-N 3.42Å |
| 49 | Y | 96.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.7 | 177.1 | 63.8 | -81.3 | 0 | 0 | 0 | 111.1 | D51 S56 T57 L59 Q68 V70 F78 | Y49-D51 HydrophobicContact CE2-CB 4.22Å; Y49-S56 WeakPolarHBondContact O-CA 3.32Å; Y49-T57 VanDerWaalsContact CD1-O 3.28Å; Y49-T57 WeakPolarHBondContact CD1-O 3.44Å; Y49-T57 HydrophobicContact CE1-CG2 4Å; Y49-T57 HydrophobicContact CE2-CG2 4.33Å; Y49-T57 PolarHBondContact N-O 3.15Å; Y49-T57 PolarHBondContact O-N 2.96Å; Y49-T57 VanDerWaalsContact OH-CG2 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.21Å; Y49-L59 HydrophobicContact CD1-CB 4.26Å; Y49-L59 HydrophobicContact CD1-CD1 4.47Å; Y49-L59 HydrophobicContact CE1-CB 4.15Å; Y49-L59 HydrophobicContact CE1-CD1 4.16Å; Y49-Q68 WeakPolarHBondContact CE2-O 3.45Å; Y49-Q68 PolarHBondContact OH-O 3.3Å; Y49-V70 HydrophobicContact CD2-CB 4.04Å; Y49-V70 HydrophobicContact CD2-CG1 3.93Å; Y49-V70 HydrophobicContact CD2-CG2 3.8Å; Y49-V70 HydrophobicContact CE2-CB 4.31Å; Y49-V70 HydrophobicContact CE2-CG2 3.84Å; Y49-V70 HydrophobicContact CG-CG1 4.33Å; Y49-V70 HydrophobicContact CG-CG2 4.27Å; Y49-F78 HydrophobicContact CD1-CD1 4.2Å; Y49-F78 AromaticContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CG-CD1 4.28Å; Y49-F78 AromaticContact CG-CE1 3.99Å; Y49-F78 HydrophobicContact CG-CE1 3.99Å |
| 50 | Q | 94.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130 | 167.6 | -163.4 | 178.2 | 48.4 | 0 | 0 | 109.7 | G54 R71 | Q50-G54 VanDerWaalsContact CG-C 3.41Å; Q50-G54 WeakPolarHBondContact CG-O 3.41Å; Q50-G54 PolarHBondContact NE2-O 3.28Å; Q50-R71 WeakPolarHBondContact O-CB 3.42Å; Q50-R71 PolarHBondContact O-N 3.34Å; Q50-R71 VanDerWaalsContact OE1-CD 3.27Å |
| 51 | D | 91.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 170.9 | 174.9 | 80.2 | -6.9 | 0 | 0 | 0 | 112.5 | Y49 K53 G54 F55 D69 R275 | Y49-D51 HydrophobicContact CE2-CB 4.22Å; D51-K53 PolarHBondContact O-N 3.42Å; D51-K53 VanDerWaalsContact OD1-CA 3.28Å; D51-K53 WeakPolarHBondContact OD1-CA 3.49Å; D51-K53 WeakPolarHBondContact OD1-CB 3.27Å; D51-K53 PolarHBondContact OD1-N 3.19Å; D51-G54 PolarHBondContact O-N 2.95Å; D51-G54 PolarHBondContact OD1-N 2.93Å; D51-F55 PolarHBondContact N-O 3.01Å; D51-F55 PolarHBondContact OD1-N 3.02Å; D51-D69 CarbonylContact C-O 3.54Å; D51-D69 VanDerWaalsContact CA-O 3.29Å; D51-D69 WeakPolarHBondContact CA-O 3.37Å; D51-D69 WeakPolarHBondContact CB-O 3.32Å; D51-R275 IonicContact OD2-CZ 3.21Å; D51-R275 IonicContact OD2-NH1 3.76Å; D51-R275 PolarHBondContact OD2-NH1 3.37Å; D51-R275 IonicContact OD2-NH2 2.74Å; D51-R275 PolarHBondContact OD2-NH2 3.21Å |
| 52 | T | 91.1 | Very high | 93.9 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -6.3 | 173 | 48.7 | 0 | 0 | 0 | 0 | 115.4 | D69 | T52-D69 WeakPolarHBondContact CG2-O 3.34Å; T52-D69 PolarHBondContact N-O 3.47Å; T52-D69 PolarHBondContact OG1-O 2.95Å |
| 53 | K | 88.4 | Confident | 93.9 | Very high | 156 Ų | 156 | 56.4 Ų | 56.4 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 12.9 | 177.9 | -62.6 | 179.4 | -177.9 | 178.7 | 0 | 112.4 | D51 F55 | D51-K53 PolarHBondContact O-N 3.42Å; D51-K53 VanDerWaalsContact OD1-CA 3.28Å; D51-K53 WeakPolarHBondContact OD1-CA 3.49Å; D51-K53 WeakPolarHBondContact OD1-CB 3.27Å; D51-K53 PolarHBondContact OD1-N 3.19Å; K53-F55 HydrophobicContact CB-CD2 3.73Å; K53-F55 HydrophobicContact CB-CE2 3.89Å; K53-F55 WeakPolarHBondContact O-CD2 3.43Å; K53-F55 WeakPolarHBondContact O-CE2 3.39Å |
| 54 | G | 87.8 | Confident | 93.9 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 83.1 | 1.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q50 D51 | Q50-G54 VanDerWaalsContact CG-C 3.41Å; Q50-G54 WeakPolarHBondContact CG-O 3.41Å; Q50-G54 PolarHBondContact NE2-O 3.28Å; D51-G54 PolarHBondContact O-N 2.95Å; D51-G54 PolarHBondContact OD1-N 2.93Å |
| 55 | F | 86.5 | Confident | 93.8 | Very high | 88 Ų | 88 | 58.9 Ų | 58.9 | 39% | 0.386 | 30% | 0.297 | S | S | . | . | trans | -93.3 | 133.3 | -174.4 | -62.9 | -79.9 | 0 | 0 | 0 | 112.9 | D51 K53 T57 R275 | D51-F55 PolarHBondContact N-O 3.01Å; D51-F55 PolarHBondContact OD1-N 3.02Å; K53-F55 HydrophobicContact CB-CD2 3.73Å; K53-F55 HydrophobicContact CB-CE2 3.89Å; K53-F55 WeakPolarHBondContact O-CD2 3.43Å; K53-F55 WeakPolarHBondContact O-CE2 3.39Å; F55-T57 PolarHBondContact O-OG1 3.46Å; F55-R275 VanDerWaalsContact CB-CZ 3.47Å; F55-R275 VanDerWaalsContact CD2-NH1 3.28Å | ||
| 56 | S | 90.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 61.7 Ų | 61.7 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 133.3 | 168.9 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | Q48 Y49 | Q48-S56 VanDerWaalsContact CG-OG 3.24Å; Q48-S56 WeakPolarHBondContact CG-OG 3.41Å; Q48-S56 PolarHBondContact OE1-OG 3.01Å; Y49-S56 WeakPolarHBondContact O-CA 3.32Å |
| 57 | T | 90.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 142.4 | -170.3 | -48.1 | 0 | 0 | 0 | 0 | 111.2 | Q48 Y49 F55 R275 | Q48-T57 CarbonylContact C-O 3.58Å; Q48-T57 VanDerWaalsContact CA-O 3.31Å; Q48-T57 WeakPolarHBondContact CA-O 3.48Å; Y49-T57 VanDerWaalsContact CD1-O 3.28Å; Y49-T57 WeakPolarHBondContact CD1-O 3.44Å; Y49-T57 HydrophobicContact CE1-CG2 4Å; Y49-T57 HydrophobicContact CE2-CG2 4.33Å; Y49-T57 PolarHBondContact N-O 3.15Å; Y49-T57 PolarHBondContact O-N 2.96Å; Y49-T57 VanDerWaalsContact OH-CG2 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.21Å; F55-T57 PolarHBondContact O-OG1 3.46Å; T57-R275 PolarHBondContact OG1-NH2 3.27Å |
| 58 | W | 95.1 | Very high | 93.1 | Very high | 52 Ų | 52 | 65 Ų | 65 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 136.7 | 171.6 | -63.7 | 105.8 | 0 | 0 | 0 | 111.4 | Q48 R81 K83 | Q48-W58 HydrophobicContact CB-CD2 4.45Å; Q48-W58 HydrophobicContact CB-CE3 3.91Å; Q48-W58 HydrophobicContact CB-CH2 4.38Å; Q48-W58 HydrophobicContact CB-CZ3 3.88Å; W58-R81 HydrophobicContact CH2-CB 3.92Å; W58-R81 HydrophobicContact CZ3-CB 4.28Å; W58-K83 HydrophobicContact CD2-CB 4.37Å; W58-K83 HydrophobicContact CD2-CD 3.88Å; W58-K83 HydrophobicContact CD2-CG 4.09Å; W58-K83 HydrophobicContact CE3-CB 4.33Å; W58-K83 HydrophobicContact CE3-CD 4.32Å; W58-K83 HydrophobicContact CG-CD 4.03Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.25Å; W58-K83 HydrophobicContact CZ2-CB 3.69Å; W58-K83 HydrophobicContact CZ2-CG 3.8Å; W58-K83 HydrophobicContact CZ3-CB 3.99Å |
| 59 | L | 96.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 134 | 177.3 | -171 | 68.8 | 0 | 0 | 0 | 111 | L29 L47 Y49 V65 F78 | L29-L59 HydrophobicContact CD2-CD2 3.92Å; L47-L59 HydrophobicContact CB-CB 3.99Å; L47-L59 HydrophobicContact CB-CD2 4.05Å; L47-L59 HydrophobicContact CD1-CD2 3.8Å; L47-L59 WeakPolarHBondContact O-CB 3.45Å; L47-L59 PolarHBondContact O-N 3.02Å; Y49-L59 HydrophobicContact CD1-CB 4.26Å; Y49-L59 HydrophobicContact CD1-CD1 4.47Å; Y49-L59 HydrophobicContact CE1-CB 4.15Å; Y49-L59 HydrophobicContact CE1-CD1 4.16Å; L59-V65 HydrophobicContact CD2-CG2 4.43Å; L59-F78 HydrophobicContact CD1-CE1 4.14Å; L59-F78 HydrophobicContact CD2-CE1 4.24Å |
| 60 | K | 94.3 | Very high | 92.7 | Very high | 117 Ų | 117 | 68 Ų | 68 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -88 | 119.8 | 175.2 | -57.2 | -179 | 178.8 | -175 | 0 | 109.1 | N62 K63 Q68 | K60-N62 VanDerWaalsContact C-N 3.3Å; K60-N62 PolarHBondContact O-N 2.82Å; K60-K63 HydrophobicContact CB-CB 4.44Å; K60-K63 PolarHBondContact O-N 3.28Å; K60-Q68 VanDerWaalsContact CB-OE1 3.23Å; K60-Q68 PolarHBondContact O-NE2 3.46Å |
| 61 | L | 94.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37.8 | -174.8 | -55.1 | -176.3 | 0 | 0 | 0 | 111.8 | G26 K27 F30 K63 | G26-L61 PolarHBondContact N-O 3.45Å; K27-L61 HydrophobicContact CB-CB 3.97Å; K27-L61 WeakPolarHBondContact CB-O 3.34Å; K27-L61 HydrophobicContact CD-CB 4.4Å; K27-L61 HydrophobicContact CD-CD1 4.25Å; K27-L61 PolarHBondContact N-O 2.93Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.23Å; F30-L61 HydrophobicContact CG-CD2 4.01Å; L61-K63 VanDerWaalsContact C-N 3.25Å; L61-K63 PolarHBondContact O-N 3.33Å |
| 62 | N | 93.5 | Very high | 92.5 | Very high | 139 Ų | 139 | 78 Ų | 78 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 13.5 | 179.5 | 70.8 | -11.8 | 0 | 0 | 0 | 115.5 | K60 | K60-N62 VanDerWaalsContact C-N 3.3Å; K60-N62 PolarHBondContact O-N 2.82Å |
| 63 | K | 95 | Very high | 92.4 | Very high | 112 Ų | 112 | 77.7 Ų | 77.7 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -130.1 | 153.1 | 176.6 | -68.6 | -158.5 | 174.3 | -147.3 | 0 | 111.9 | T25 G26 K60 L61 Q68 | T25-K63 CarbonylContact C-O 3.57Å; T25-K63 WeakPolarHBondContact CA-O 3.34Å; G26-K63 PolarHBondContact N-O 3.36Å; K60-K63 HydrophobicContact CB-CB 4.44Å; K60-K63 PolarHBondContact O-N 3.28Å; L61-K63 VanDerWaalsContact C-N 3.25Å; L61-K63 PolarHBondContact O-N 3.33Å; K63-Q68 HydrophobicContact CB-CG 4.11Å; K63-Q68 PolarHBondContact O-NE2 2.9Å |
| 64 | K | 96.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 76.8 Ų | 76.8 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -57.5 | 140 | 172.7 | -62.5 | -175.7 | 176.3 | 175.3 | 0 | 110.2 | T24 T66 A67 Q68 | T24-K64 CarbonylContact O-C 3.5Å; T24-K64 WeakPolarHBondContact O-CA 3.41Å; K64-T66 VanDerWaalsContact C-N 3.3Å; K64-T66 PolarHBondContact O-N 3.13Å; K64-A67 HydrophobicContact CB-CB 4.02Å; K64-A67 PolarHBondContact O-N 3.13Å; K64-Q68 WeakPolarHBondContact O-CG 3.41Å; K64-Q68 PolarHBondContact O-NE2 2.59Å; K64-Q68 VanDerWaalsContact O-NE2 3.11Å |
| 65 | V | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -61.4 | -43 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | I20 T24 L29 L59 A67 F78 | I20-V65 HydrophobicContact CD1-CB 3.89Å; I20-V65 HydrophobicContact CD1-CG1 4.04Å; I20-V65 HydrophobicContact CD1-CG2 4.01Å; T24-V65 PolarHBondContact O-N 2.94Å; L29-V65 HydrophobicContact CB-CG2 4.02Å; L29-V65 HydrophobicContact CD2-CG1 4.08Å; L29-V65 HydrophobicContact CD2-CG2 3.77Å; L59-V65 HydrophobicContact CD2-CG2 4.43Å; V65-A67 PolarHBondContact O-N 2.91Å; V65-A67 VanDerWaalsContact O-N 3.17Å; V65-F78 HydrophobicContact CG1-CE1 4.4Å; V65-F78 HydrophobicContact CG1-CE2 4.29Å; V65-F78 HydrophobicContact CG1-CZ 3.58Å |
| 66 | T | 93.4 | Very high | 93.3 | Very high | 73 Ų | 73 | 72.3 Ų | 72.3 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -64.1 | -14.1 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | V5 P22 K64 | V5-T66 HydrophobicContact CG2-CG2 4.33Å; P22-T66 PolarHBondContact O-OG1 3Å; K64-T66 VanDerWaalsContact C-N 3.3Å; K64-T66 PolarHBondContact O-N 3.13Å |
| 67 | A | 94.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -109.9 | 29.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K64 V65 | K64-A67 HydrophobicContact CB-CB 4.02Å; K64-A67 PolarHBondContact O-N 3.13Å; V65-A67 PolarHBondContact O-N 2.91Å; V65-A67 VanDerWaalsContact O-N 3.17Å |
| 68 | Q | 93.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 72.5 Ų | 72.5 | 7% | 0.065 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -132.6 | 28.6 | -174.5 | -66.8 | -173.6 | 70.8 | 0 | 0 | 113.6 | Y49 K60 K63 K64 V70 | Y49-Q68 WeakPolarHBondContact CE2-O 3.45Å; Y49-Q68 PolarHBondContact OH-O 3.3Å; K60-Q68 VanDerWaalsContact CB-OE1 3.23Å; K60-Q68 PolarHBondContact O-NE2 3.46Å; K63-Q68 HydrophobicContact CB-CG 4.11Å; K63-Q68 PolarHBondContact O-NE2 2.9Å; K64-Q68 WeakPolarHBondContact O-CG 3.41Å; K64-Q68 PolarHBondContact O-NE2 2.59Å; K64-Q68 VanDerWaalsContact O-NE2 3.11Å; Q68-V70 HydrophobicContact CB-CG2 4.49Å; Q68-V70 PolarHBondContact O-N 2.7Å |
| 69 | D | 91.4 | Very high | 94.1 | Very high | 117 Ų | 117 | 74.6 Ų | 74.6 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | trans | 53.6 | 25.9 | 173.6 | -56.3 | -30.6 | 0 | 0 | 0 | 115.4 | D51 T52 | D51-D69 CarbonylContact C-O 3.54Å; D51-D69 VanDerWaalsContact CA-O 3.29Å; D51-D69 WeakPolarHBondContact CA-O 3.37Å; D51-D69 WeakPolarHBondContact CB-O 3.32Å; T52-D69 WeakPolarHBondContact CG2-O 3.34Å; T52-D69 PolarHBondContact N-O 3.47Å; T52-D69 PolarHBondContact OG1-O 2.95Å | ||
| 70 | V | 93.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -56 | 137.2 | 174.1 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | Y49 Q68 K72 L76 F78 | Y49-V70 HydrophobicContact CD2-CB 4.04Å; Y49-V70 HydrophobicContact CD2-CG1 3.93Å; Y49-V70 HydrophobicContact CD2-CG2 3.8Å; Y49-V70 HydrophobicContact CE2-CB 4.31Å; Y49-V70 HydrophobicContact CE2-CG2 3.84Å; Y49-V70 HydrophobicContact CG-CG1 4.33Å; Y49-V70 HydrophobicContact CG-CG2 4.27Å; Q68-V70 HydrophobicContact CB-CG2 4.49Å; Q68-V70 PolarHBondContact O-N 2.7Å; V70-K72 PolarHBondContact O-N 3.17Å; V70-L76 HydrophobicContact CG1-CD2 4.1Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.04Å; V70-F78 HydrophobicContact CG2-CE1 4.38Å; V70-F78 HydrophobicContact CG2-CZ 4.2Å |
| 71 | R | 92.4 | Very high | 94.4 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | trans | -54.3 | 128.5 | 176.1 | -177.9 | 171.9 | 160.7 | 162.8 | -5.6 | 110 | Q50 E73 L76 | Q50-R71 WeakPolarHBondContact O-CB 3.42Å; Q50-R71 PolarHBondContact O-N 3.34Å; Q50-R71 VanDerWaalsContact OE1-CD 3.27Å; R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 WeakPolarHBondContact CD-OE2 3.4Å; R71-E73 HydrophobicContact CG-CG 4.24Å; R71-E73 IonicContact CZ-OE1 3.8Å; R71-E73 IonicContact NE-OE1 3.4Å; R71-E73 PolarHBondContact NE-OE1 3.44Å; R71-E73 IonicContact NE-OE2 2.67Å; R71-E73 PolarHBondContact NE-OE2 2.84Å; R71-E73 IonicContact NH2-OE1 2.79Å; R71-E73 PolarHBondContact NH2-OE1 3.48Å; R71-E73 PolarHBondContact O-N 3.48Å; R71-L76 VanDerWaalsContact O-CD2 3.3Å; R71-L76 WeakPolarHBondContact O-CD2 3.38Å | ||
| 72 | K | 87.9 | Confident | 94.6 | Very high | 192 Ų | 192 | 66.4 Ų | 66.4 | 84% | 0.835 | 33% | 0.328 | S | S | * | . | trans | -81 | 75.9 | -168.5 | -68.1 | -175.7 | 179.5 | 178.5 | 0 | 111.8 | V70 | V70-K72 PolarHBondContact O-N 3.17Š| ||
| 73 | E | 90.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 34% | 0.341 | 30% | 0.3 | S | S | . | . | trans | -112.7 | 169.7 | 176.9 | -73.6 | 167.4 | 152.7 | 0 | 0 | 111 | R71 P75 L76 F77 | R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 WeakPolarHBondContact CD-OE2 3.4Å; R71-E73 HydrophobicContact CG-CG 4.24Å; R71-E73 IonicContact CZ-OE1 3.8Å; R71-E73 IonicContact NE-OE1 3.4Å; R71-E73 PolarHBondContact NE-OE1 3.44Å; R71-E73 IonicContact NE-OE2 2.67Å; R71-E73 PolarHBondContact NE-OE2 2.84Å; R71-E73 IonicContact NH2-OE1 2.79Å; R71-E73 PolarHBondContact NH2-OE1 3.48Å; R71-E73 PolarHBondContact O-N 3.48Å; E73-P75 CarbonylContact C-O 3.54Å; E73-P75 WeakPolarHBondContact CB-O 3.42Å; E73-P75 CarbonylContact O-C 3.59Å; E73-L76 WeakPolarHBondContact O-CD2 3.45Å; E73-F77 HydrophobicContact CB-CD2 4.2Å; E73-F77 HydrophobicContact CB-CE2 4.23Å | ||
| 74 | N | 90.3 | Very high | 94.9 | Very high | 137 Ų | 137 | 57.1 Ų | 57.1 | 73% | 0.733 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -136.8 | 105 | 176.4 | -178.7 | 63.8 | 0 | 0 | 0 | 109 | ||
| 75 | P | 94 | Very high | 94.9 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | S | Bend | cis | -67.3 | 165.5 | 1.4 | 29.6 | -36.1 | 0 | 0 | 0 | 114.1 | S6 R8 E73 F77 | S6-P75 WeakPolarHBondContact O-CA 3.46Å; R8-P75 HydrophobicContact CB-CB 4.03Å; R8-P75 HydrophobicContact CB-CG 3.75Å; E73-P75 CarbonylContact C-O 3.54Å; E73-P75 WeakPolarHBondContact CB-O 3.42Å; E73-P75 CarbonylContact O-C 3.59Å; P75-F77 HydrophobicContact CG-CE1 4.2Å; P75-F77 HydrophobicContact CG-CE2 4.26Å; P75-F77 HydrophobicContact CG-CZ 3.91Å; P75-F77 VanDerWaalsContact O-CD2 3.27Å; P75-F77 WeakPolarHBondContact O-CD2 3.26Å; P75-F77 VanDerWaalsContact O-CE2 3.27Å; P75-F77 WeakPolarHBondContact O-CE2 2.97Å |
| 76 | L | 96.4 | Very high | 95 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.3 | 161.9 | -64.4 | -179.6 | 0 | 0 | 0 | 109.3 | V5 S6 V7 R8 V70 R71 E73 F78 | V5-L76 HydrophobicContact CG1-CD1 3.56Å; V5-L76 HydrophobicContact CG1-CG 3.95Å; S6-L76 PolarHBondContact O-N 3.14Å; V7-L76 WeakPolarHBondContact CA-O 3.44Å; V7-L76 HydrophobicContact CG2-CB 4.44Å; R8-L76 PolarHBondContact N-O 3.04Å; V70-L76 HydrophobicContact CG1-CD2 4.1Å; R71-L76 VanDerWaalsContact O-CD2 3.3Å; R71-L76 WeakPolarHBondContact O-CD2 3.38Å; E73-L76 WeakPolarHBondContact O-CD2 3.45Å; L76-F78 HydrophobicContact CB-CE2 3.8Å; L76-F78 HydrophobicContact CB-CZ 4.47Å |
| 77 | F | 96.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.4 | -176.4 | -67.1 | -88.8 | 0 | 0 | 0 | 113 | R8 E73 P75 | R8-F77 HydrophobicContact CB-CD1 4.26Å; R8-F77 HydrophobicContact CB-CE1 4.42Å; E73-F77 HydrophobicContact CB-CD2 4.2Å; E73-F77 HydrophobicContact CB-CE2 4.23Å; P75-F77 HydrophobicContact CG-CE1 4.2Å; P75-F77 HydrophobicContact CG-CE2 4.26Å; P75-F77 HydrophobicContact CG-CZ 3.91Å; P75-F77 VanDerWaalsContact O-CD2 3.27Å; P75-F77 WeakPolarHBondContact O-CD2 3.26Å; P75-F77 VanDerWaalsContact O-CE2 3.27Å; P75-F77 WeakPolarHBondContact O-CE2 2.97Å |
| 78 | F | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145.2 | 170.1 | -58.6 | -94.3 | 0 | 0 | 0 | 110.8 | V7 R8 V9 I10 L29 L47 Q48 Y49 L59 V65 V70 L76 | V7-F78 HydrophobicContact CG1-CD2 3.6Å; V7-F78 HydrophobicContact CG1-CE2 3.72Å; R8-F78 PolarHBondContact O-N 2.93Å; V9-F78 WeakPolarHBondContact CA-O 3.49Å; V9-F78 HydrophobicContact CG2-CB 4.33Å; I10-F78 PolarHBondContact N-O 2.88Å; L29-F78 HydrophobicContact CD2-CD2 4.3Å; L29-F78 HydrophobicContact CD2-CE1 4.48Å; L29-F78 HydrophobicContact CD2-CE2 4.03Å; L29-F78 HydrophobicContact CD2-CZ 4.14Å; L47-F78 HydrophobicContact CB-CB 4.49Å; L47-F78 HydrophobicContact CB-CD1 4.19Å; L47-F78 HydrophobicContact CD2-CB 4.11Å; Q48-F78 CarbonylContact O-C 3.51Å; Q48-F78 VanDerWaalsContact O-CA 3.28Å; Q48-F78 WeakPolarHBondContact O-CA 3.21Å; Y49-F78 HydrophobicContact CD1-CD1 4.2Å; Y49-F78 AromaticContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CG-CD1 4.28Å; Y49-F78 AromaticContact CG-CE1 3.99Å; Y49-F78 HydrophobicContact CG-CE1 3.99Å; L59-F78 HydrophobicContact CD1-CE1 4.14Å; L59-F78 HydrophobicContact CD2-CE1 4.24Å; V65-F78 HydrophobicContact CG1-CE1 4.4Å; V65-F78 HydrophobicContact CG1-CE2 4.29Å; V65-F78 HydrophobicContact CG1-CZ 3.58Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.04Å; V70-F78 HydrophobicContact CG2-CE1 4.38Å; V70-F78 HydrophobicContact CG2-CZ 4.2Å; L76-F78 HydrophobicContact CB-CE2 3.8Å; L76-F78 HydrophobicContact CB-CZ 4.47Å |
| 79 | K | 98.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 48.1 Ų | 48.1 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.7 | 164.5 | -65.4 | -168.5 | 173.9 | -164.1 | 0 | 109.3 | I10 Q48 R81 | I10-K79 CarbonylContact O-C 3.53Å; I10-K79 WeakPolarHBondContact O-CA 3.4Å; Q48-K79 HydrophobicContact CB-CB 4.47Å; Q48-K79 PolarHBondContact N-O 2.71Å; Q48-K79 PolarHBondContact O-N 3.42Å; K79-R81 HydrophobicContact CB-CG 4.08Å |
| 80 | F | 98.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 120.8 | 165.9 | -174.1 | -94.7 | 0 | 0 | 0 | 108 | V9 I10 T11 F30 V33 V34 I37 F45 L47 L101 | V9-F80 HydrophobicContact CG1-CB 3.91Å; I10-F80 PolarHBondContact O-N 2.88Å; T11-F80 HydrophobicContact CG2-CB 4.13Å; T11-F80 HydrophobicContact CG2-CD1 4.27Å; T11-F80 HydrophobicContact CG2-CG 4.47Å; F30-F80 HydrophobicContact CD2-CE2 4.18Å; F30-F80 HydrophobicContact CE2-CD2 4.46Å; F30-F80 AromaticContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CZ-CE2 4.18Å; V33-F80 HydrophobicContact CG1-CB 4.4Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.07Å; V33-F80 HydrophobicContact CG1-CG 4.06Å; V34-F80 HydrophobicContact CG1-CE2 3.57Å; V34-F80 HydrophobicContact CG1-CZ 3.66Å; I37-F80 HydrophobicContact CD1-CD1 4.31Å; I37-F80 HydrophobicContact CD1-CE1 3.84Å; I37-F80 HydrophobicContact CD1-CZ 4.18Å; F45-F80 HydrophobicContact CB-CE1 3.94Å; F45-F80 HydrophobicContact CB-CE2 3.8Å; F45-F80 HydrophobicContact CB-CZ 3.38Å; F45-F80 HydrophobicContact CD1-CD1 4.05Å; F45-F80 AromaticContact CD1-CE1 3.34Å; F45-F80 HydrophobicContact CD1-CE1 3.34Å; F45-F80 AromaticContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD2-CE1 4.4Å; F45-F80 HydrophobicContact CD2-CZ 4.17Å; F45-F80 AromaticContact CE1-CE1 3.94Å; F45-F80 HydrophobicContact CE1-CE1 3.94Å; F45-F80 AromaticContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.48Å; F45-F80 HydrophobicContact CG-CZ 3.48Å; F45-F80 VanDerWaalsContact CG-CZ 3.48Å; L47-F80 HydrophobicContact CD2-CB 4.09Å; L47-F80 HydrophobicContact CD2-CD2 3.99Å; F80-L101 HydrophobicContact CD1-CD1 4.24Å; F80-L101 HydrophobicContact CE1-CD1 3.83Å |
| 81 | R | 98.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.7 | -172.7 | -72.1 | -66.5 | -177.3 | -83.5 | 17.7 | 110.4 | I10 T11 M12 F45 G46 W58 K79 K83 Q105 E108 | I10-R81 PolarHBondContact O-NH1 3.44Å; T11-R81 PolarHBondContact O-NH1 2.92Å; T11-R81 PolarHBondContact O-NH2 3.33Å; M12-R81 PolarHBondContact SD-NE 3.32Å; M12-R81 PolarHBondContact SD-NH2 3.17Å; F45-R81 WeakPolarHBondContact CA-O 3.29Å; G46-R81 PolarHBondContact N-O 2.98Å; G46-R81 PolarHBondContact O-N 3.25Å; G46-R81 VanDerWaalsContact O-N 3.12Å; W58-R81 HydrophobicContact CH2-CB 3.92Å; W58-R81 HydrophobicContact CZ3-CB 4.28Å; K79-R81 HydrophobicContact CB-CG 4.08Å; R81-K83 PolarHBondContact O-N 3.34Å; R81-Q105 VanDerWaalsContact CA-OE1 3.32Å; R81-E108 IonicContact CZ-OE2 2.74Å; R81-E108 IonicContact NE-OE2 2.87Å; R81-E108 PolarHBondContact NE-OE2 2.9Å; R81-E108 IonicContact NH2-OE1 2.98Å; R81-E108 IonicContact NH2-OE2 3.92Å; R81-E108 PolarHBondContact NH2-OE2 3.41Å |
| 82 | A | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | F45 F102 Q105 | F45-A82 HydrophobicContact CD1-CB 4.24Å; F45-A82 HydrophobicContact CE1-CB 4.07Å; A82-F102 HydrophobicContact CB-CD1 4.21Å; A82-F102 HydrophobicContact CB-CE1 3.66Å; A82-F102 HydrophobicContact CB-CE2 4.36Å; A82-F102 HydrophobicContact CB-CZ 3.77Å; A82-Q105 PolarHBondContact O-NE2 3.41Å |
| 83 | K | 96.6 | Very high | 96.1 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -99.8 | -33.4 | 177.1 | 177.1 | -179.1 | 172.8 | -125.2 | 0 | 111.2 | Y44 W58 R81 A282 L283 | Y44-K83 PolarHBondContact O-N 3.05Å; W58-K83 HydrophobicContact CD2-CB 4.37Å; W58-K83 HydrophobicContact CD2-CD 3.88Å; W58-K83 HydrophobicContact CD2-CG 4.09Å; W58-K83 HydrophobicContact CE3-CB 4.33Å; W58-K83 HydrophobicContact CE3-CD 4.32Å; W58-K83 HydrophobicContact CG-CD 4.03Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.25Å; W58-K83 HydrophobicContact CZ2-CB 3.69Å; W58-K83 HydrophobicContact CZ2-CG 3.8Å; W58-K83 HydrophobicContact CZ3-CB 3.99Å; R81-K83 PolarHBondContact O-N 3.34Å; K83-A282 PolarHBondContact NZ-O 2.92Å; K83-L283 HydrophobicContact CG-CD2 4.13Å |
| 84 | F | 98.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -121.3 | 150.7 | 177.4 | -55 | -72 | 0 | 0 | 0 | 108.9 | W43 Y44 F102 L283 N287 L290 | W43-F84 WeakPolarHBondContact O-CD2 3.27Å; Y44-F84 PolarHBondContact O-N 2.94Å; F84-F102 WeakPolarHBondContact O-CZ 3.34Å; F84-L283 HydrophobicContact CD1-CD2 4.44Å; F84-L283 HydrophobicContact CE1-CD2 4.12Å; F84-N287 WeakPolarHBondContact CD1-OD1 3.4Å; F84-L290 HydrophobicContact CB-CD1 3.67Å; F84-L290 HydrophobicContact CD2-CD1 4.3Å; F84-L290 HydrophobicContact CG-CD1 4.01Å |
| 85 | F | 98.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 11% | 0.114 | 15% | 0.15 | C | C | . | . | trans | -112 | 156.1 | -179 | -74.7 | -102.6 | 0 | 0 | 0 | 110.1 | F102 V106 Y201 R294 | F85-F102 HydrophobicContact CD1-CD1 4.12Å; F85-F102 AromaticContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CE1-CD1 4.18Å; F85-F102 HydrophobicContact CE1-CE1 4.03Å; F85-F102 HydrophobicContact CG-CE1 4.13Å; F85-V106 HydrophobicContact CE1-CG2 4.02Å; F85-Y201 AromaticContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE2 4.23Å; F85-Y201 AromaticContact CD1-CZ 3.67Å; F85-Y201 HydrophobicContact CE1-CE2 4.24Å; F85-R294 PolarHBondContact O-NH2 2.6Å | ||
| 86 | P | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | trans | -61.4 | 159.7 | 166.1 | 29 | -35.7 | 0 | 0 | 0 | 111 | V89 E92 L93 | P86-V89 HydrophobicContact CG-CB 4.38Å; P86-V89 HydrophobicContact CG-CG1 3.67Å; P86-E92 WeakPolarHBondContact CA-OE2 3.49Å; P86-E92 HydrophobicContact CB-CB 3.69Å; P86-E92 HydrophobicContact CB-CG 4.25Å; P86-L93 HydrophobicContact CB-CD2 4.36Å; P86-L93 HydrophobicContact CG-CD1 4.43Å; P86-L93 HydrophobicContact CG-CD2 4.04Å; P86-L93 HydrophobicContact CG-CG 4.24Å | ||
| 87 | E | 95.2 | Very high | 96.6 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -72.5 | -55 | 158.4 | -75.6 | 170.9 | -124.3 | 0 | 0 | 108.8 | E92 A222 L223 Y291 R294 R295 R510 | E87-E92 WeakPolarHBondContact CA-OE1 3.46Å; E87-E92 WeakPolarHBondContact CB-OE1 3.36Å; E87-E92 PolarHBondContact N-OE1 2.79Å; E87-A222 HydrophobicContact CG-CB 3.89Å; E87-L223 HydrophobicContact CB-CD2 4.24Å; E87-L223 HydrophobicContact CG-CD2 3.77Å; E87-L223 HydrophobicContact CG-CG 4.45Å; E87-Y291 WeakPolarHBondContact OE1-CA 3.25Å; E87-Y291 VanDerWaalsContact OE1-CD2 3.31Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.29Å; E87-R294 VanDerWaalsContact CD-CD 3.49Å; E87-R294 WeakPolarHBondContact OE1-CD 3.46Å; E87-R294 IonicContact OE1-CZ 3.72Å; E87-R294 IonicContact OE1-NE 3.35Å; E87-R294 PolarHBondContact OE1-NE 2.97Å; E87-R294 IonicContact OE1-NH1 3.18Å; E87-R294 PolarHBondContact OE1-NH1 3.37Å; E87-R295 IonicContact OE1-NH1 3.57Å; E87-R295 PolarHBondContact OE1-NH1 3.42Å; E87-R295 IonicContact OE2-CZ 2.73Å; E87-R295 IonicContact OE2-NH1 3.56Å; E87-R295 PolarHBondContact OE2-NH1 3.02Å; E87-R295 VanDerWaalsContact OE2-NH1 3.11Å; E87-R295 IonicContact OE2-NH2 3.54Å; E87-R295 PolarHBondContact OE2-NH2 3.05Å; E87-R510 PolarHBondContact O-NH1 3.31Å; E87-R510 PolarHBondContact O-NH2 2.97Å |
| 88 | D | 96.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 14% | 0.139 | 14% | 0.141 | C | C | . | . | trans | -121.4 | 122.7 | 168.8 | -156.1 | -58.7 | 0 | 0 | 0 | 113 | T90 E91 E92 Q196 R510 | D88-T90 PolarHBondContact O-N 2.76Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CB 3.49Å; D88-T90 PolarHBondContact OD1-N 2.97Å; D88-T90 PolarHBondContact OD1-OG1 3.39Å; D88-E91 PolarHBondContact O-N 2.78Å; D88-E92 PolarHBondContact N-OE1 3.28Å; D88-E92 VanDerWaalsContact N-OE1 3.15Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 PolarHBondContact O-N 3Å; D88-Q196 PolarHBondContact OD1-NE2 2.84Å; D88-Q196 PolarHBondContact OD2-NE2 3.26Å; D88-R510 IonicContact OD2-CZ 2.73Å; D88-R510 IonicContact OD2-NE 3.69Å; D88-R510 PolarHBondContact OD2-NE 2.97Å; D88-R510 IonicContact OD2-NH2 3.54Å; D88-R510 PolarHBondContact OD2-NH2 3.47Å | ||
| 89 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -28.5 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | P86 L93 M189 L192 K193 Q196 Y201 | P86-V89 HydrophobicContact CG-CB 4.38Å; P86-V89 HydrophobicContact CG-CG1 3.67Å; V89-L93 HydrophobicContact CB-CD1 3.96Å; V89-L93 HydrophobicContact CB-CG 4.4Å; V89-L93 HydrophobicContact CG1-CD1 4.17Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 WeakPolarHBondContact O-CG 3.31Å; V89-L93 PolarHBondContact O-N 3.49Å; V89-M189 HydrophobicContact CB-SD 4.26Å; V89-M189 HydrophobicContact CG2-SD 3.86Å; V89-M189 WeakPolarHBondContact O-CE 3.39Å; V89-L192 HydrophobicContact CB-CB 4.23Å; V89-L192 HydrophobicContact CG1-CB 4.16Å; V89-L192 HydrophobicContact CG2-CB 4.05Å; V89-K193 HydrophobicContact CG2-CG 3.97Å; V89-Q196 HydrophobicContact CG1-CB 4.31Å; V89-Q196 HydrophobicContact CG2-CG 4.48Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.35Å |
| 90 | T | 93.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 29 Ų | 29 | 37% | 0.374 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -75.3 | -35.9 | -173.6 | -36.8 | 0 | 0 | 0 | 0 | 112.3 | D88 | D88-T90 PolarHBondContact O-N 2.76Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CB 3.49Å; D88-T90 PolarHBondContact OD1-N 2.97Å; D88-T90 PolarHBondContact OD1-OG1 3.39Å |
| 91 | E | 92 | Very high | 96.5 | Very high | 133 Ų | 133 | 29.1 Ų | 29.1 | 62% | 0.621 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -94.7 | -19.8 | -175 | -60.6 | -58.1 | 139 | 0 | 0 | 113.1 | D88 K306 | D88-E91 PolarHBondContact O-N 2.78Å; E91-K306 PolarHBondContact O-NZ 3.45Å |
| 92 | E | 95.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 13% | 0.131 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -114.7 | -18.6 | -166.7 | -77.9 | -174.8 | -117.2 | 0 | 0 | 116.6 | Y44 P86 E87 D88 R294 | Y44-E92 WeakPolarHBondContact OH-CB 3.48Å; Y44-E92 PolarHBondContact OH-O 3.06Å; P86-E92 WeakPolarHBondContact CA-OE2 3.49Å; P86-E92 HydrophobicContact CB-CB 3.69Å; P86-E92 HydrophobicContact CB-CG 4.25Å; E87-E92 WeakPolarHBondContact CA-OE1 3.46Å; E87-E92 WeakPolarHBondContact CB-OE1 3.36Å; E87-E92 PolarHBondContact N-OE1 2.79Å; D88-E92 PolarHBondContact N-OE1 3.28Å; D88-E92 VanDerWaalsContact N-OE1 3.15Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 PolarHBondContact O-N 3Å; E92-R294 IonicContact OE1-CZ 2.64Å; E92-R294 IonicContact OE1-NE 3.56Å; E92-R294 PolarHBondContact OE1-NE 2.93Å; E92-R294 IonicContact OE1-NH2 3.23Å; E92-R294 IonicContact OE2-CZ 2.76Å; E92-R294 IonicContact OE2-NE 2.64Å; E92-R294 PolarHBondContact OE2-NE 3.22Å; E92-R294 IonicContact OE2-NH2 2.73Å; E92-R294 PolarHBondContact OE2-NH2 3.12Å |
| 93 | L | 97.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | trans | -100.7 | 99.2 | -178.4 | -57 | -173.6 | 0 | 0 | 0 | 110.4 | Y44 P86 V89 T98 Q99 F102 M189 L192 | Y44-L93 HydrophobicContact CD2-CD2 4.32Å; Y44-L93 HydrophobicContact CE2-CD2 3.76Å; P86-L93 HydrophobicContact CB-CD2 4.36Å; P86-L93 HydrophobicContact CG-CD1 4.43Å; P86-L93 HydrophobicContact CG-CD2 4.04Å; P86-L93 HydrophobicContact CG-CG 4.24Å; V89-L93 HydrophobicContact CB-CD1 3.96Å; V89-L93 HydrophobicContact CB-CG 4.4Å; V89-L93 HydrophobicContact CG1-CD1 4.17Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 WeakPolarHBondContact O-CG 3.31Å; V89-L93 PolarHBondContact O-N 3.49Å; L93-T98 HydrophobicContact CD2-CG2 4Å; L93-Q99 HydrophobicContact CB-CG 3.77Å; L93-Q99 PolarHBondContact O-NE2 3.29Å; L93-F102 HydrophobicContact CD1-CB 4.11Å; L93-F102 HydrophobicContact CD1-CD2 4.01Å; L93-F102 HydrophobicContact CD1-CG 4.08Å; L93-F102 HydrophobicContact CD2-CD2 3.75Å; L93-F102 HydrophobicContact CD2-CE2 3.64Å; L93-F102 HydrophobicContact CD2-CG 4.5Å; L93-F102 HydrophobicContact CD2-CZ 4.31Å; L93-M189 HydrophobicContact CB-CE 4.38Å; L93-L192 HydrophobicContact CD1-CD1 3.97Å | ||
| 94 | I | 96.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | trans | -87.9 | -46.3 | -162.8 | -56.3 | 163.5 | 0 | 0 | 0 | 112.1 | E41 V302 M305 K306 A309 | E41-I94 PolarHBondContact OE1-N 2.76Å; E41-I94 PolarHBondContact OE2-N 3.24Å; I94-V302 HydrophobicContact CD1-CG1 3.84Å; I94-M305 HydrophobicContact CD1-CB 4.42Å; I94-M305 HydrophobicContact CD1-CE 4.2Å; I94-M305 HydrophobicContact CG2-CB 4.05Å; I94-M305 WeakPolarHBondContact CG2-O 3.17Å; I94-K306 HydrophobicContact CD1-CG 3.93Å; I94-K306 HydrophobicContact CG1-CG 3.92Å; I94-K306 HydrophobicContact CG2-CG 4.05Å; I94-A309 HydrophobicContact CG2-CB 3.75Å; I94-A309 WeakPolarHBondContact O-CB 3.33Å | ||
| 95 | Q | 95.1 | Very high | 96.7 | Very high | 38 Ų | 38 | 29 Ų | 29 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -95.7 | 141.8 | -175.3 | -57.2 | -178.1 | -90.2 | 0 | 0 | 112.3 | G38 E41 A97 T98 Q99 | G38-Q95 PolarHBondContact O-NE2 2.98Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.26Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.46Å; E41-Q95 PolarHBondContact OE2-N 2.86Å; Q95-A97 PolarHBondContact O-N 3.09Å; Q95-A97 VanDerWaalsContact O-N 3.13Å; Q95-T98 WeakPolarHBondContact O-CA 3.12Å; Q95-T98 WeakPolarHBondContact O-CB 3.01Å; Q95-T98 PolarHBondContact O-N 3.5Å; Q95-Q99 PolarHBondContact O-N 2.99Å |
| 96 | D | 94.5 | Very high | 96.8 | Very high | 43 Ų | 43 | 27.9 Ų | 27.9 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.3 | -35 | 173.1 | -61 | -14.8 | 0 | 0 | 0 | 112.9 | R100 E185 K316 | D96-R100 WeakPolarHBondContact O-CB 3.22Å; D96-R100 PolarHBondContact O-N 2.94Å; D96-E185 HydrophobicContact CB-CG 4.15Å; D96-K316 IonicContact OD2-NZ 2.73Å; D96-K316 PolarHBondContact OD2-NZ 3.34Å |
| 97 | A | 95.5 | Very high | 96.8 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 15% | 0.149 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q95 L101 | Q95-A97 PolarHBondContact O-N 3.09Å; Q95-A97 VanDerWaalsContact O-N 3.13Å; A97-L101 WeakPolarHBondContact O-CG 3.48Å; A97-L101 PolarHBondContact O-N 2.9Å; A97-L101 VanDerWaalsContact O-N 3.11Å |
| 98 | T | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -49.3 | 175.9 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | E41 Y44 F45 L93 Q95 R100 L101 F102 | E41-T98 HydrophobicContact CB-CG2 4.12Å; E41-T98 VanDerWaalsContact CD-OG1 3.31Å; E41-T98 WeakPolarHBondContact OE2-CB 3.27Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.39Å; E41-T98 PolarHBondContact OE2-OG1 3.42Å; Y44-T98 HydrophobicContact CD2-CG2 4.1Å; Y44-T98 HydrophobicContact CE2-CG2 4.29Å; F45-T98 HydrophobicContact CE2-CG2 4.02Å; F45-T98 HydrophobicContact CZ-CG2 4.14Å; L93-T98 HydrophobicContact CD2-CG2 4Å; Q95-T98 WeakPolarHBondContact O-CA 3.12Å; Q95-T98 WeakPolarHBondContact O-CB 3.01Å; Q95-T98 PolarHBondContact O-N 3.5Å; T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 PolarHBondContact O-N 3.5Å; T98-L101 PolarHBondContact O-N 3.45Å; T98-F102 HydrophobicContact CG2-CD2 3.9Å; T98-F102 HydrophobicContact CG2-CE2 4.03Å; T98-F102 WeakPolarHBondContact O-CD2 3.42Å; T98-F102 PolarHBondContact O-N 3.41Å |
| 99 | Q | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 32 Ų | 32 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 177.4 | -67.3 | 175.9 | 16.9 | 0 | 0 | 111.1 | L93 Q95 L101 F102 F103 M189 | L93-Q99 HydrophobicContact CB-CG 3.77Å; L93-Q99 PolarHBondContact O-NE2 3.29Å; Q95-Q99 PolarHBondContact O-N 2.99Å; Q99-L101 PolarHBondContact O-N 3.36Å; Q99-F102 PolarHBondContact O-N 3.41Å; Q99-F103 VanDerWaalsContact O-CB 3.31Å; Q99-F103 WeakPolarHBondContact O-CB 3.45Å; Q99-F103 PolarHBondContact O-N 3.32Å; Q99-M189 HydrophobicContact CG-CE 3.86Å |
| 100 | R | 98.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 32.2 Ų | 32.2 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.1 | -173.3 | 173.8 | 76.6 | -128.6 | 5.1 | 112.7 | D13 D96 T98 L104 M188 | D13-R100 IonicContact OD2-CZ 3.1Å; D13-R100 IonicContact OD2-NE 3.09Å; D13-R100 PolarHBondContact OD2-NE 2.92Å; D13-R100 IonicContact OD2-NH2 3.21Å; D13-R100 PolarHBondContact OD2-NH2 3.49Å; D96-R100 WeakPolarHBondContact O-CB 3.22Å; D96-R100 PolarHBondContact O-N 2.94Å; T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 PolarHBondContact O-N 3.5Å; R100-L104 HydrophobicContact CG-CD1 4.07Å; R100-L104 WeakPolarHBondContact O-CB 3.43Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.47Å; R100-M188 HydrophobicContact CB-CE 4.01Å; R100-M188 HydrophobicContact CB-SD 3.96Å; R100-M188 HydrophobicContact CG-CE 4.36Å; R100-M188 HydrophobicContact CG-SD 3.89Å |
| 101 | L | 98.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 178.6 | -71.3 | 178.9 | 0 | 0 | 0 | 112.5 | M12 D13 I37 L39 F45 F80 A97 T98 Q99 Q105 | M12-L101 HydrophobicContact CB-CD2 3.8Å; M12-L101 HydrophobicContact CG-CD2 4.06Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.28Å; I37-L101 HydrophobicContact CD1-CD1 4.07Å; L39-L101 HydrophobicContact CD1-CD1 3.78Å; F45-L101 HydrophobicContact CE1-CB 4.03Å; F45-L101 HydrophobicContact CE1-CD1 4.08Å; F45-L101 HydrophobicContact CZ-CB 4.2Å; F45-L101 HydrophobicContact CZ-CD1 4.29Å; F80-L101 HydrophobicContact CD1-CD1 4.24Å; F80-L101 HydrophobicContact CE1-CD1 3.83Å; A97-L101 WeakPolarHBondContact O-CG 3.48Å; A97-L101 PolarHBondContact O-N 2.9Å; A97-L101 VanDerWaalsContact O-N 3.11Å; T98-L101 PolarHBondContact O-N 3.45Å; Q99-L101 PolarHBondContact O-N 3.36Å; L101-Q105 WeakPolarHBondContact O-CB 3.38Å; L101-Q105 PolarHBondContact O-N 3.34Å |
| 102 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.2 | -50 | 172.7 | -93 | -79.2 | 0 | 0 | 0 | 111.7 | Y44 F45 A82 F84 F85 L93 T98 Q99 L104 Q105 V106 L192 | Y44-F102 HydrophobicContact CD1-CE2 4.37Å; Y44-F102 HydrophobicContact CD1-CZ 4.04Å; Y44-F102 AromaticContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CZ 4.23Å; Y44-F102 HydrophobicContact CE2-CE2 4.43Å; Y44-F102 AromaticContact CG-CE2 3.71Å; Y44-F102 HydrophobicContact CG-CE2 3.71Å; Y44-F102 AromaticContact CG-CZ 3.73Å; Y44-F102 HydrophobicContact CG-CZ 3.73Å; F45-F102 HydrophobicContact CE2-CE2 4.37Å; F45-F102 HydrophobicContact CZ-CD2 4.13Å; F45-F102 AromaticContact CZ-CE2 3.97Å; F45-F102 HydrophobicContact CZ-CE2 3.97Å; A82-F102 HydrophobicContact CB-CD1 4.21Å; A82-F102 HydrophobicContact CB-CE1 3.66Å; A82-F102 HydrophobicContact CB-CE2 4.36Å; A82-F102 HydrophobicContact CB-CZ 3.77Å; F84-F102 WeakPolarHBondContact O-CZ 3.34Å; F85-F102 HydrophobicContact CD1-CD1 4.12Å; F85-F102 AromaticContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CE1-CD1 4.18Å; F85-F102 HydrophobicContact CE1-CE1 4.03Å; F85-F102 HydrophobicContact CG-CE1 4.13Å; L93-F102 HydrophobicContact CD1-CB 4.11Å; L93-F102 HydrophobicContact CD1-CD2 4.01Å; L93-F102 HydrophobicContact CD1-CG 4.08Å; L93-F102 HydrophobicContact CD2-CD2 3.75Å; L93-F102 HydrophobicContact CD2-CE2 3.64Å; L93-F102 HydrophobicContact CD2-CG 4.5Å; L93-F102 HydrophobicContact CD2-CZ 4.31Å; T98-F102 HydrophobicContact CG2-CD2 3.9Å; T98-F102 HydrophobicContact CG2-CE2 4.03Å; T98-F102 WeakPolarHBondContact O-CD2 3.42Å; T98-F102 PolarHBondContact O-N 3.41Å; Q99-F102 PolarHBondContact O-N 3.41Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 3.3Å; F102-Q105 PolarHBondContact O-N 2.81Å; F102-V106 WeakPolarHBondContact O-CB 3.42Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.37Å; F102-V106 PolarHBondContact O-N 3.29Å; F102-L192 HydrophobicContact CB-CD1 3.92Å; F102-L192 HydrophobicContact CB-CD2 4.24Å |
| 103 | F | 98.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 4% | 0.044 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.7 | -51.5 | 177.4 | 159.6 | -104.3 | 0 | 0 | 0 | 111.3 | Q99 Q105 V106 K107 A129 A132 M188 Y191 L192 | Q99-F103 VanDerWaalsContact O-CB 3.31Å; Q99-F103 WeakPolarHBondContact O-CB 3.45Å; Q99-F103 PolarHBondContact O-N 3.32Å; F103-Q105 PolarHBondContact O-N 3.39Å; F103-V106 PolarHBondContact O-N 3.03Å; F103-K107 HydrophobicContact CE2-CD 4.43Å; F103-K107 HydrophobicContact CZ-CD 4.11Å; F103-K107 VanDerWaalsContact O-CB 3.24Å; F103-K107 WeakPolarHBondContact O-CB 3.34Å; F103-K107 PolarHBondContact O-N 3.37Å; F103-A129 HydrophobicContact CE2-CB 4.33Å; F103-A129 HydrophobicContact CZ-CB 4.14Å; F103-A132 HydrophobicContact CE1-CB 4.34Å; F103-A132 HydrophobicContact CE2-CB 4.45Å; F103-A132 HydrophobicContact CZ-CB 3.92Å; F103-M188 HydrophobicContact CB-CB 3.98Å; F103-M188 HydrophobicContact CB-CG 4.18Å; F103-M188 HydrophobicContact CB-SD 4.36Å; F103-M188 HydrophobicContact CD1-CB 4.28Å; F103-M188 HydrophobicContact CD1-CG 3.56Å; F103-M188 HydrophobicContact CD1-SD 3.54Å; F103-M188 VanDerWaalsContact CD1-SD 3.54Å; F103-M188 HydrophobicContact CD2-CB 4.14Å; F103-M188 HydrophobicContact CD2-CG 4.06Å; F103-M188 HydrophobicContact CE1-CG 3.88Å; F103-M188 HydrophobicContact CE1-SD 4.07Å; F103-M188 HydrophobicContact CE2-CG 4.34Å; F103-M188 HydrophobicContact CG-CB 3.88Å; F103-M188 HydrophobicContact CG-CG 3.66Å; F103-M188 HydrophobicContact CG-SD 4.08Å; F103-M188 HydrophobicContact CZ-CG 4.26Å; F103-Y191 AromaticContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD2 4.13Å; F103-Y191 HydrophobicContact CD2-CE1 4.34Å; F103-Y191 AromaticContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CE2-CD1 4.05Å; F103-Y191 AromaticContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CE2 4.14Å; F103-Y191 AromaticContact CE2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CG 3.61Å; F103-L192 HydrophobicContact CB-CD1 4.18Å; F103-L192 HydrophobicContact CB-CG 4.28Å |
| 104 | L | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | -179.9 | -68.3 | 172.1 | 0 | 0 | 0 | 112.5 | M12 D13 R100 F102 K107 E108 | M12-L104 HydrophobicContact CB-CB 3.55Å; M12-L104 HydrophobicContact CB-CD1 3.73Å; M12-L104 HydrophobicContact CB-CG 4.3Å; M12-L104 HydrophobicContact CE-CB 4.06Å; M12-L104 HydrophobicContact CG-CB 3.9Å; D13-L104 HydrophobicContact CB-CD1 3.91Å; R100-L104 HydrophobicContact CG-CD1 4.07Å; R100-L104 WeakPolarHBondContact O-CB 3.43Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.47Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 3.3Å; L104-K107 PolarHBondContact O-N 2.92Å; L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 2.91Å |
| 105 | Q | 98.7 | Very high | 97.8 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 179.4 | -175.2 | 175 | -49.2 | 0 | 0 | 112.3 | M12 R81 A82 L101 F102 F103 E108 A109 | M12-Q105 HydrophobicContact CE-CB 4.48Å; M12-Q105 HydrophobicContact CG-CB 4.11Å; M12-Q105 HydrophobicContact SD-CB 3.76Å; M12-Q105 HydrophobicContact SD-CG 4.24Å; R81-Q105 VanDerWaalsContact CA-OE1 3.32Å; A82-Q105 PolarHBondContact O-NE2 3.41Å; L101-Q105 WeakPolarHBondContact O-CB 3.38Å; L101-Q105 PolarHBondContact O-N 3.34Å; F102-Q105 PolarHBondContact O-N 2.81Å; F103-Q105 PolarHBondContact O-N 3.39Å; Q105-E108 PolarHBondContact O-N 2.88Å; Q105-A109 PolarHBondContact O-N 3.32Å |
| 106 | V | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.5 | -39 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | F85 F102 F103 A109 I110 Y191 L192 A195 Y201 | F85-V106 HydrophobicContact CE1-CG2 4.02Å; F102-V106 WeakPolarHBondContact O-CB 3.42Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.37Å; F102-V106 PolarHBondContact O-N 3.29Å; F103-V106 PolarHBondContact O-N 3.03Å; V106-A109 PolarHBondContact O-N 3.15Å; V106-I110 HydrophobicContact CG1-CD1 3.91Å; V106-I110 WeakPolarHBondContact O-CG1 3.3Å; V106-I110 PolarHBondContact O-N 3.34Å; V106-Y191 HydrophobicContact CG1-CE1 4.22Å; V106-L192 HydrophobicContact CB-CD2 4.09Å; V106-L192 HydrophobicContact CG1-CD2 4.44Å; V106-L192 HydrophobicContact CG2-CD2 3.86Å; V106-A195 HydrophobicContact CG1-CB 3.68Å; V106-Y201 HydrophobicContact CG1-CD2 4.08Å; V106-Y201 HydrophobicContact CG1-CE2 3.99Å; V106-Y201 HydrophobicContact CG2-CD2 4.34Å; V106-Y201 HydrophobicContact CG2-CE2 3.69Å |
| 107 | K | 98.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 31 Ų | 31 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 172.7 | -165.4 | -175.6 | 81.3 | 72.2 | 0 | 112.6 | F103 L104 L111 A129 Y191 | F103-K107 HydrophobicContact CE2-CD 4.43Å; F103-K107 HydrophobicContact CZ-CD 4.11Å; F103-K107 VanDerWaalsContact O-CB 3.24Å; F103-K107 WeakPolarHBondContact O-CB 3.34Å; F103-K107 PolarHBondContact O-N 3.37Å; L104-K107 PolarHBondContact O-N 2.92Å; K107-L111 HydrophobicContact CG-CD1 3.95Å; K107-L111 HydrophobicContact CG-CG 4.4Å; K107-L111 VanDerWaalsContact NZ-CD1 3.3Å; K107-L111 WeakPolarHBondContact O-CB 3.26Å; K107-L111 VanDerWaalsContact O-CG 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.28Å; K107-L111 PolarHBondContact O-N 3.28Å; K107-A129 HydrophobicContact CD-CB 3.79Å; K107-Y191 WeakPolarHBondContact CA-OH 3.18Å; K107-Y191 HydrophobicContact CB-CE1 4.28Å; K107-Y191 HydrophobicContact CG-CE2 4.31Å |
| 108 | E | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 33% | 0.332 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57 | -49 | 171.6 | 177.1 | 171.2 | -108.3 | 0 | 0 | 110.1 | M12 R81 L104 Q105 L111 N112 | M12-E108 HydrophobicContact CE-CB 3.92Å; M12-E108 HydrophobicContact CE-CG 4.38Å; R81-E108 IonicContact CZ-OE2 2.74Å; R81-E108 IonicContact NE-OE2 2.87Å; R81-E108 PolarHBondContact NE-OE2 2.9Å; R81-E108 IonicContact NH2-OE1 2.98Å; R81-E108 IonicContact NH2-OE2 3.92Å; R81-E108 PolarHBondContact NH2-OE2 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 2.91Å; Q105-E108 PolarHBondContact O-N 2.88Å; E108-L111 PolarHBondContact O-N 3.46Å; E108-N112 WeakPolarHBondContact O-CB 3.35Å; E108-N112 PolarHBondContact O-N 3.42Å; E108-N112 VanDerWaalsContact O-N 3.1Å; E108-N112 PolarHBondContact O-ND2 3.5Å |
| 109 | A | 98.4 | Very high | 98.3 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 16% | 0.157 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q105 V106 D113 D114 I115 | Q105-A109 PolarHBondContact O-N 3.32Å; V106-A109 PolarHBondContact O-N 3.15Å; A109-D113 PolarHBondContact O-N 2.88Å; A109-D114 HydrophobicContact CB-CB 4.14Å; A109-D114 WeakPolarHBondContact O-CB 3.22Å; A109-D114 PolarHBondContact O-N 2.83Å; A109-I115 HydrophobicContact CB-CD1 3.74Å; A109-I115 HydrophobicContact CB-CG1 3.99Å; A109-I115 PolarHBondContact O-N 3.48Å; A109-I115 VanDerWaalsContact O-N 3.16Å |
| 110 | I | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.3 | -45.3 | 176 | -71.6 | 171.2 | 0 | 0 | 0 | 110.8 | V106 N112 D113 I115 C117 L125 P154 Y191 A195 L198 | V106-I110 HydrophobicContact CG1-CD1 3.91Å; V106-I110 WeakPolarHBondContact O-CG1 3.3Å; V106-I110 PolarHBondContact O-N 3.34Å; I110-N112 VanDerWaalsContact C-N 3.27Å; I110-N112 PolarHBondContact O-N 2.67Å; I110-D113 PolarHBondContact O-N 3.32Å; I110-I115 HydrophobicContact CG1-CB 4.01Å; I110-I115 HydrophobicContact CG1-CG2 4.03Å; I110-C117 HydrophobicContact CG2-CB 3.84Å; I110-L125 HydrophobicContact CD1-CD1 3.86Å; I110-P154 HydrophobicContact CG2-CG 4.2Å; I110-P154 WeakPolarHBondContact O-CG 3.3Å; I110-Y191 HydrophobicContact CD1-CE1 4.4Å; I110-A195 HydrophobicContact CD1-CB 4.07Å; I110-L198 HydrophobicContact CD1-CD1 3.73Å; I110-L198 HydrophobicContact CG1-CD1 4.29Å |
| 111 | L | 98.4 | Very high | 98.3 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 12% | 0.115 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -30.6 | 179.7 | -69.6 | 171.9 | 0 | 0 | 0 | 113.1 | K107 E108 D113 N151 | K107-L111 HydrophobicContact CG-CD1 3.95Å; K107-L111 HydrophobicContact CG-CG 4.4Å; K107-L111 VanDerWaalsContact NZ-CD1 3.3Å; K107-L111 WeakPolarHBondContact O-CB 3.26Å; K107-L111 VanDerWaalsContact O-CG 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.28Å; K107-L111 PolarHBondContact O-N 3.28Å; E108-L111 PolarHBondContact O-N 3.46Å; L111-D113 VanDerWaalsContact C-N 3.27Å; L111-N151 WeakPolarHBondContact CD1-O 3.43Å |
| 112 | N | 97.8 | Very high | 98.3 | Very high | 100 Ų | 100 | 27.6 Ų | 27.6 | 54% | 0.535 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.7 | 173.6 | -65.6 | -16.6 | 0 | 0 | 0 | 113.8 | E108 I110 D114 | E108-N112 WeakPolarHBondContact O-CB 3.35Å; E108-N112 PolarHBondContact O-N 3.42Å; E108-N112 VanDerWaalsContact O-N 3.1Å; E108-N112 PolarHBondContact O-ND2 3.5Å; I110-N112 VanDerWaalsContact C-N 3.27Å; I110-N112 PolarHBondContact O-N 2.67Å; N112-D114 WeakPolarHBondContact CB-OD2 3.28Å; N112-D114 PolarHBondContact O-N 2.65Å |
| 113 | D | 97.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 27.6 Ų | 27.6 | 30% | 0.299 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 21.4 | -170.3 | -135.7 | 24.4 | 0 | 0 | 0 | 113.7 | A109 I110 L111 R156 | A109-D113 PolarHBondContact O-N 2.88Å; I110-D113 PolarHBondContact O-N 3.32Å; L111-D113 VanDerWaalsContact C-N 3.27Å; D113-R156 IonicContact OD1-CZ 3.57Å; D113-R156 IonicContact OD1-NE 2.68Å; D113-R156 PolarHBondContact OD1-NE 2.84Å; D113-R156 IonicContact OD1-NH2 2.62Å; D113-R156 PolarHBondContact OD1-NH2 3.41Å; D113-R156 WeakPolarHBondContact OD2-CD 3.45Å; D113-R156 IonicContact OD2-CZ 3.31Å; D113-R156 IonicContact OD2-NE 2.78Å; D113-R156 PolarHBondContact OD2-NE 3.28Å; D113-R156 IonicContact OD2-NH2 3.47Å |
| 114 | D | 96.9 | Very high | 98.3 | Very high | 107 Ų | 107 | 27.1 Ų | 27.1 | 57% | 0.572 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -65 | -32.3 | 167.6 | -75.8 | -59.2 | 0 | 0 | 0 | 110.7 | A109 N112 M200 | A109-D114 HydrophobicContact CB-CB 4.14Å; A109-D114 WeakPolarHBondContact O-CB 3.22Å; A109-D114 PolarHBondContact O-N 2.83Å; N112-D114 WeakPolarHBondContact CB-OD2 3.28Å; N112-D114 PolarHBondContact O-N 2.65Å; D114-M200 WeakPolarHBondContact O-CE 3.43Å |
| 115 | I | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -114.6 | 115.8 | 168.6 | -64.5 | 172.6 | 0 | 0 | 0 | 107 | A109 I110 C117 L198 M200 | A109-I115 HydrophobicContact CB-CD1 3.74Å; A109-I115 HydrophobicContact CB-CG1 3.99Å; A109-I115 PolarHBondContact O-N 3.48Å; A109-I115 VanDerWaalsContact O-N 3.16Å; I110-I115 HydrophobicContact CG1-CB 4.01Å; I110-I115 HydrophobicContact CG1-CG2 4.03Å; I115-C117 PolarHBondContact O-N 3.38Å; I115-L198 HydrophobicContact CG2-CB 4.21Å; I115-L198 HydrophobicContact CG2-CD1 3.91Å; I115-M200 HydrophobicContact CG2-CB 4.24Å |
| 116 | Y | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | trans | -59.8 | 136.3 | 172.4 | 170.8 | -92.2 | 0 | 0 | 0 | 110.8 | P118 M234 N543 H547 | Y116-P118 HydrophobicContact CE1-CB 4.33Å; Y116-M234 HydrophobicContact CD1-CE 4.21Å; Y116-M234 HydrophobicContact CD1-SD 3.39Å; Y116-M234 WeakPolarHBondContact CD1-SD 3.43Å; Y116-M234 HydrophobicContact CD2-SD 4.4Å; Y116-M234 HydrophobicContact CE1-CE 4.37Å; Y116-M234 HydrophobicContact CE1-SD 4.12Å; Y116-M234 HydrophobicContact CG-SD 3.56Å; Y116-M234 VanDerWaalsContact CG-SD 3.56Å; Y116-N543 HydrophobicContact CD2-CB 3.41Å; Y116-N543 VanDerWaalsContact CD2-CB 3.41Å; Y116-N543 HydrophobicContact CE2-CB 3.71Å; Y116-N543 HydrophobicContact CG-CB 4.02Å; Y116-H547 HydrophobicContact CE1-CB 3.62Å; Y116-H547 AromaticContact CE1-CG 3.62Å; Y116-H547 AromaticContact CE1-ND1 3.84Å; Y116-H547 WeakPolarHBondContact OH-CB 3.33Å | ||
| 117 | C | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -138 | 128.8 | 174.7 | -168.6 | 0 | 0 | 0 | 0 | 109.3 | I110 I115 R156 L198 | I110-C117 HydrophobicContact CG2-CB 3.84Å; I115-C117 PolarHBondContact O-N 3.38Å; C117-R156 PolarHBondContact O-NH1 2.88Å; C117-R156 PolarHBondContact O-NH2 2.99Å; C117-L198 HydrophobicContact CB-CD1 4.09Å | ||
| 118 | P | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | trans | -69.6 | 154.3 | 177.7 | 30.1 | -35 | 0 | 0 | 0 | 111.3 | Y116 E120 T121 A122 | Y116-P118 HydrophobicContact CE1-CB 4.33Å; P118-E120 PolarHBondContact O-N 2.89Å; P118-T121 PolarHBondContact O-N 3.47Å; P118-A122 WeakPolarHBondContact O-CB 3.47Å; P118-A122 PolarHBondContact O-N 2.84Å | ||
| 119 | P | 98.1 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -52 | -47.1 | -173 | -30.5 | 37.3 | 0 | 0 | 0 | 115.6 | A122 V123 V157 L531 | P119-A122 PolarHBondContact O-N 3.46Å; P119-V123 WeakPolarHBondContact O-CG2 3.15Å; P119-V123 PolarHBondContact O-N 3.33Å; P119-V157 HydrophobicContact CB-CG1 4.04Å; P119-L531 HydrophobicContact CB-CD1 3.83Å |
| 120 | E | 97.4 | Very high | 98.3 | Very high | 35 Ų | 35 | 18.9 Ų | 18.9 | 16% | 0.164 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | -179.9 | 53.2 | -90 | -127.1 | 0 | 0 | 111.7 | P118 A122 V123 L124 L527 S528 | P118-E120 PolarHBondContact O-N 2.89Å; E120-A122 PolarHBondContact O-N 2.7Å; E120-V123 PolarHBondContact O-N 3.46Å; E120-L124 PolarHBondContact O-N 3.48Å; E120-L124 VanDerWaalsContact O-N 3.13Å; E120-L527 HydrophobicContact CB-CB 3.84Å; E120-S528 PolarHBondContact OE1-OG 3.43Å |
| 121 | T | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 18.8 Ų | 18.8 | 9% | 0.092 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | P118 V123 L124 L125 I194 L198 | P118-T121 PolarHBondContact O-N 3.47Å; T121-V123 PolarHBondContact O-N 3.29Å; T121-L124 PolarHBondContact O-N 3.16Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.12Å; T121-L125 VanDerWaalsContact O-CB 3.25Å; T121-L125 WeakPolarHBondContact O-CB 3.39Å; T121-L125 WeakPolarHBondContact O-CG 3.27Å; T121-L125 PolarHBondContact O-N 3.35Å; T121-I194 HydrophobicContact CG2-CG2 3.55Å; T121-L198 HydrophobicContact CG2-CD2 4.35Å |
| 122 | A | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P118 P119 E120 A126 L153 V157 | P118-A122 WeakPolarHBondContact O-CB 3.47Å; P118-A122 PolarHBondContact O-N 2.84Å; P119-A122 PolarHBondContact O-N 3.46Å; E120-A122 PolarHBondContact O-N 2.7Å; A122-A126 WeakPolarHBondContact O-CB 3.42Å; A122-A126 PolarHBondContact O-N 2.8Å; A122-L153 HydrophobicContact CB-CD2 3.99Å; A122-L153 WeakPolarHBondContact O-CD2 3.27Å; A122-V157 HydrophobicContact CB-CG2 4.11Å |
| 123 | V | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | P119 E120 T121 A126 S127 L153 W168 I172 L527 L531 | P119-V123 WeakPolarHBondContact O-CG2 3.15Å; P119-V123 PolarHBondContact O-N 3.33Å; E120-V123 PolarHBondContact O-N 3.46Å; T121-V123 PolarHBondContact O-N 3.29Å; V123-A126 WeakPolarHBondContact O-CB 3.34Å; V123-A126 PolarHBondContact O-N 3.19Å; V123-S127 PolarHBondContact O-N 3.34Å; V123-L153 HydrophobicContact CG2-CD1 4.41Å; V123-L153 HydrophobicContact CG2-CD2 3.99Å; V123-W168 HydrophobicContact CG2-CE3 4.25Å; V123-W168 HydrophobicContact CG2-CH2 4.5Å; V123-W168 HydrophobicContact CG2-CZ3 3.6Å; V123-I172 HydrophobicContact CG1-CG1 4.19Å; V123-L527 HydrophobicContact CB-CD2 3.86Å; V123-L527 HydrophobicContact CG1-CD2 3.51Å; V123-L531 HydrophobicContact CG2-CD1 4.08Å |
| 124 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.6 | -173.9 | 59.1 | 0 | 0 | 0 | 111.2 | E120 T121 A126 S127 Y128 W175 I194 L520 H523 L524 L527 | E120-L124 PolarHBondContact O-N 3.48Å; E120-L124 VanDerWaalsContact O-N 3.13Å; T121-L124 PolarHBondContact O-N 3.16Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.38Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S127 PolarHBondContact O-OG 3.26Å; L124-Y128 HydrophobicContact CD1-CD2 4.4Å; L124-Y128 HydrophobicContact CD1-CE2 3.86Å; L124-Y128 HydrophobicContact CD2-CE2 4.34Å; L124-Y128 HydrophobicContact CG-CD2 4.18Å; L124-Y128 HydrophobicContact CG-CE2 3.77Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.22Å; L124-Y128 PolarHBondContact O-N 2.91Å; L124-W175 HydrophobicContact CD1-CE3 4.41Å; L124-I194 HydrophobicContact CD2-CD1 4.09Å; L124-I194 HydrophobicContact CG-CD1 4.44Å; L124-L520 HydrophobicContact CD2-CD1 3.28Å; L124-H523 HydrophobicContact CD2-CB 4.31Å; L124-L524 HydrophobicContact CB-CD2 4.44Å; L124-L524 HydrophobicContact CD2-CD2 3.81Å; L124-L524 HydrophobicContact CD2-CG 4.18Å; L124-L527 HydrophobicContact CB-CD1 3.72Å; L124-L527 HydrophobicContact CD1-CD1 4.4Å |
| 125 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 173.4 | -74.6 | 179.9 | 0 | 0 | 0 | 112.1 | I110 T121 Y128 A129 Y191 I194 | I110-L125 HydrophobicContact CD1-CD1 3.86Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.12Å; T121-L125 VanDerWaalsContact O-CB 3.25Å; T121-L125 WeakPolarHBondContact O-CB 3.39Å; T121-L125 WeakPolarHBondContact O-CG 3.27Å; T121-L125 PolarHBondContact O-N 3.35Å; L125-Y128 PolarHBondContact O-N 2.84Å; L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.34Å; L125-Y191 HydrophobicContact CB-CD2 4.01Å; L125-Y191 HydrophobicContact CB-CE2 3.55Å; L125-Y191 HydrophobicContact CD2-CD1 4.02Å; L125-Y191 HydrophobicContact CD2-CD2 3.68Å; L125-Y191 HydrophobicContact CD2-CE1 4.16Å; L125-Y191 HydrophobicContact CD2-CE2 3.87Å; L125-Y191 HydrophobicContact CD2-CG 3.73Å; L125-Y191 WeakPolarHBondContact CD2-O 3.38Å; L125-Y191 HydrophobicContact CG-CD2 4.42Å; L125-Y191 HydrophobicContact CG-CE2 4.18Å; L125-Y191 VanDerWaalsContact O-CD2 3.22Å; L125-Y191 WeakPolarHBondContact O-CD2 3.46Å; L125-Y191 WeakPolarHBondContact O-CE2 3.44Å; L125-I194 HydrophobicContact CD2-CB 3.88Å; L125-I194 HydrophobicContact CD2-CG2 3.81Å; L125-I194 HydrophobicContact CG-CG2 4.14Å |
| 126 | A | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | A122 V123 L124 Y128 A129 V130 L152 L153 I172 | A122-A126 WeakPolarHBondContact O-CB 3.42Å; A122-A126 PolarHBondContact O-N 2.8Å; V123-A126 WeakPolarHBondContact O-CB 3.34Å; V123-A126 PolarHBondContact O-N 3.19Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.38Å; A126-Y128 PolarHBondContact O-N 2.81Å; A126-A129 WeakPolarHBondContact O-CB 3.47Å; A126-A129 PolarHBondContact O-N 2.89Å; A126-A129 VanDerWaalsContact O-N 3.12Å; A126-V130 WeakPolarHBondContact O-CG2 3.44Å; A126-V130 PolarHBondContact O-N 3.29Å; A126-L152 HydrophobicContact CB-CB 4.11Å; A126-L152 WeakPolarHBondContact CB-O 3.36Å; A126-L153 HydrophobicContact CB-CD2 4.13Å; A126-I172 HydrophobicContact CB-CD1 3.92Å; A126-I172 HydrophobicContact CB-CG1 4.12Å; A126-I172 HydrophobicContact CB-CG2 4.22Å |
| 127 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 178.4 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | V123 L124 V130 Q131 H179 | V123-S127 PolarHBondContact O-N 3.34Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S127 PolarHBondContact O-OG 3.26Å; S127-V130 PolarHBondContact O-N 2.74Å; S127-Q131 PolarHBondContact O-N 2.85Å; S127-H179 PolarHBondContact OG-NE2 3.26Å |
| 128 | Y | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 7% | 0.071 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 170.4 | -74.2 | -68.2 | 0 | 0 | 0 | 111.7 | L124 L125 A126 V130 Q131 A132 H179 M182 S187 E190 I194 | L124-Y128 HydrophobicContact CD1-CD2 4.4Å; L124-Y128 HydrophobicContact CD1-CE2 3.86Å; L124-Y128 HydrophobicContact CD2-CE2 4.34Å; L124-Y128 HydrophobicContact CG-CD2 4.18Å; L124-Y128 HydrophobicContact CG-CE2 3.77Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.22Å; L124-Y128 PolarHBondContact O-N 2.91Å; L125-Y128 PolarHBondContact O-N 2.84Å; A126-Y128 PolarHBondContact O-N 2.81Å; Y128-V130 VanDerWaalsContact C-N 3.25Å; Y128-V130 PolarHBondContact O-N 3.4Å; Y128-Q131 PolarHBondContact O-N 3.31Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.31Å; Y128-A132 PolarHBondContact O-N 2.82Å; Y128-H179 AromaticContact CD1-CE1 3.76Å; Y128-H179 AromaticContact CD1-NE2 3.81Å; Y128-H179 AromaticContact CE1-CE1 3.26Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.47Å; Y128-H179 AromaticContact CE1-ND1 3.43Å; Y128-H179 WeakPolarHBondContact CE1-ND1 3.3Å; Y128-H179 AromaticContact CE1-NE2 3.81Å; Y128-H179 AromaticContact CE2-CE1 3.8Å; Y128-H179 AromaticContact CG-NE2 3.97Å; Y128-H179 AromaticContact CZ-CE1 3.28Å; Y128-H179 AromaticContact CZ-ND1 3.83Å; Y128-H179 AromaticContact CZ-NE2 3.97Å; Y128-M182 HydrophobicContact CD1-SD 4.05Å; Y128-M182 HydrophobicContact CE1-CE 3.94Å; Y128-M182 HydrophobicContact CE1-SD 3.82Å; Y128-S187 PolarHBondContact O-OG 3.45Å; Y128-E190 HydrophobicContact CD1-CB 4.02Å; Y128-E190 HydrophobicContact CE1-CB 3.66Å; Y128-E190 HydrophobicContact CE1-CG 4.26Å; Y128-I194 HydrophobicContact CD2-CD1 4Å; Y128-I194 HydrophobicContact CE2-CD1 3.45Å; Y128-I194 VanDerWaalsContact CE2-CD1 3.45Å |
| 129 | A | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -28.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F103 K107 L125 A126 K133 Y191 | F103-A129 HydrophobicContact CE2-CB 4.33Å; F103-A129 HydrophobicContact CZ-CB 4.14Å; K107-A129 HydrophobicContact CD-CB 3.79Å; L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.34Å; A126-A129 WeakPolarHBondContact O-CB 3.47Å; A126-A129 PolarHBondContact O-N 2.89Å; A126-A129 VanDerWaalsContact O-N 3.12Å; A129-K133 WeakPolarHBondContact O-CB 3.49Å; A129-K133 PolarHBondContact O-N 3.36Å; A129-Y191 HydrophobicContact CB-CD2 4.28Å; A129-Y191 HydrophobicContact CB-CE2 4.1Å |
| 130 | V | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72 | -52.3 | 171.9 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A126 S127 Y128 A132 K133 F134 Y146 L147 L152 I172 H176 | A126-V130 WeakPolarHBondContact O-CG2 3.44Å; A126-V130 PolarHBondContact O-N 3.29Å; S127-V130 PolarHBondContact O-N 2.74Å; Y128-V130 VanDerWaalsContact C-N 3.25Å; Y128-V130 PolarHBondContact O-N 3.4Å; V130-A132 VanDerWaalsContact C-N 3.25Å; V130-A132 PolarHBondContact O-N 3.23Å; V130-K133 PolarHBondContact O-N 2.95Å; V130-F134 HydrophobicContact CB-CD2 4.5Å; V130-F134 HydrophobicContact CG1-CD2 3.79Å; V130-F134 HydrophobicContact CG1-CE2 4.4Å; V130-F134 WeakPolarHBondContact O-CD2 3.33Å; V130-F134 PolarHBondContact O-N 3.48Å; V130-Y146 HydrophobicContact CG1-CE2 4.22Å; V130-L147 HydrophobicContact CB-CD2 4.44Å; V130-L147 HydrophobicContact CG1-CD2 3.83Å; V130-L147 HydrophobicContact CG2-CD1 4.2Å; V130-L147 HydrophobicContact CG2-CD2 3.65Å; V130-L152 HydrophobicContact CG2-CD1 3.98Å; V130-L152 HydrophobicContact CG2-CD2 3.9Å; V130-I172 HydrophobicContact CG2-CG2 3.87Å; V130-H176 HydrophobicContact CG1-CB 4.24Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.43Å |
| 131 | Q | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 174.9 | 179.4 | 75.8 | 24.2 | 0 | 0 | 111.4 | S127 Y128 K133 G135 D136 H176 H179 M182 S187 | S127-Q131 PolarHBondContact O-N 2.85Å; Y128-Q131 PolarHBondContact O-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.25Å; Q131-G135 WeakPolarHBondContact O-CA 3.41Å; Q131-G135 PolarHBondContact O-N 2.9Å; Q131-G135 PolarHBondContact OE1-O 3.28Å; Q131-D136 PolarHBondContact NE2-OD1 3.28Å; Q131-H176 PolarHBondContact OE1-CD2 3.39Å; Q131-H179 HydrophobicContact CB-CB 4.14Å; Q131-H179 HydrophobicContact CG-CB 3.87Å; Q131-M182 HydrophobicContact CG-CB 4.29Å; Q131-M182 PolarHBondContact NE2-O 2.91Å; Q131-S187 WeakPolarHBondContact CB-OG 3.33Å |
| 132 | A | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -6.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F103 Y128 V130 R184 M188 | F103-A132 HydrophobicContact CE1-CB 4.34Å; F103-A132 HydrophobicContact CE2-CB 4.45Å; F103-A132 HydrophobicContact CZ-CB 3.92Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.31Å; Y128-A132 PolarHBondContact O-N 2.82Å; V130-A132 VanDerWaalsContact C-N 3.25Å; V130-A132 PolarHBondContact O-N 3.23Å; A132-R184 WeakPolarHBondContact O-CG 3.28Å; A132-R184 PolarHBondContact O-NE 3.44Å; A132-M188 HydrophobicContact CB-CG 3.75Å |
| 133 | K | 96.9 | Very high | 96.5 | Very high | 111 Ų | 111 | 44.4 Ų | 44.4 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -112.2 | -42 | 175.9 | 176.3 | 169 | 168.2 | 171.9 | 0 | 113.1 | A129 V130 Q131 E150 | A129-K133 WeakPolarHBondContact O-CB 3.49Å; A129-K133 PolarHBondContact O-N 3.36Å; V130-K133 PolarHBondContact O-N 2.95Å; Q131-K133 PolarHBondContact O-N 3.25Å; K133-E150 IonicContact NZ-OE1 3.85Å; K133-E150 PolarHBondContact NZ-OE1 2.95Å; K133-E150 IonicContact NZ-OE2 3.75Å; K133-E150 PolarHBondContact NZ-OE2 2.72Å |
| 134 | F | 96.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 31% | 0.307 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -104.2 | -17.5 | -171.3 | -65.1 | -87.7 | 0 | 0 | 0 | 113.7 | V130 L147 E150 | V130-F134 HydrophobicContact CB-CD2 4.5Å; V130-F134 HydrophobicContact CG1-CD2 3.79Å; V130-F134 HydrophobicContact CG1-CE2 4.4Å; V130-F134 WeakPolarHBondContact O-CD2 3.33Å; V130-F134 PolarHBondContact O-N 3.48Å; F134-L147 HydrophobicContact CD2-CD2 4.49Å; F134-L147 HydrophobicContact CE2-CD2 3.92Å; F134-L147 HydrophobicContact CZ-CD2 4.38Å; F134-E150 HydrophobicContact CE2-CG 4.3Å; F134-E150 HydrophobicContact CZ-CG 4.27Å |
| 135 | G | 96.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | 77.7 | -160.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q131 Y137 H176 | Q131-G135 WeakPolarHBondContact O-CA 3.41Å; Q131-G135 PolarHBondContact O-N 2.9Å; Q131-G135 PolarHBondContact OE1-O 3.28Å; G135-Y137 PolarHBondContact O-N 2.78Å; G135-H176 PolarHBondContact O-NE2 2.8Å | ||
| 136 | D | 96.1 | Very high | 95.6 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -62.3 | 131.4 | -176 | -67.9 | -29.2 | 0 | 0 | 0 | 112.7 | Q131 N138 K180 G181 R320 | Q131-D136 PolarHBondContact NE2-OD1 3.28Å; D136-N138 PolarHBondContact O-N 3.31Å; D136-K180 HydrophobicContact CB-CG 4.41Å; D136-G181 VanDerWaalsContact CG-N 3.33Å; D136-G181 PolarHBondContact OD1-N 2.91Å; D136-G181 PolarHBondContact OD2-N 3.49Å; D136-R320 IonicContact OD2-NH2 2.72Å; D136-R320 PolarHBondContact OD2-NH2 3.49Å |
| 137 | Y | 96.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | trans | -55.8 | 132.8 | 173.4 | 178.1 | -112.3 | 0 | 0 | 0 | 112.5 | G135 K139 H142 Y146 Q173 H176 E177 | G135-Y137 PolarHBondContact O-N 2.78Å; Y137-K139 HydrophobicContact CE1-CB 4.47Å; Y137-H142 HydrophobicContact CD2-CB 3.69Å; Y137-H142 HydrophobicContact CE2-CB 3.55Å; Y137-Y146 HydrophobicContact CE2-CE1 4.43Å; Y137-Q173 HydrophobicContact CD2-CG 4.16Å; Y137-Q173 HydrophobicContact CE1-CG 4.46Å; Y137-Q173 VanDerWaalsContact CE1-NE2 3.3Å; Y137-Q173 HydrophobicContact CE2-CG 3.6Å; Y137-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y137-Q173 PolarHBondContact OH-OE1 3.39Å; Y137-H176 AromaticContact CD2-ND1 3.99Å; Y137-E177 HydrophobicContact CD1-CB 3.83Å; Y137-E177 VanDerWaalsContact CD1-CD 3.46Å; Y137-E177 HydrophobicContact CD1-CG 3.74Å; Y137-E177 HydrophobicContact CE1-CB 4.45Å; Y137-E177 HydrophobicContact CE1-CG 4.31Å; Y137-E177 VanDerWaalsContact CE1-OE2 3.3Å; Y137-E177 WeakPolarHBondContact CE1-OE2 3.37Å; Y137-E177 HydrophobicContact CG-CB 4.41Å | ||
| 138 | N | 93.7 | Very high | 95.1 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 35% | 0.353 | 31% | 0.311 | S | S | . | . | trans | -139.8 | 117.1 | 173.2 | 177.2 | 0.1 | 0 | 0 | 0 | 109.1 | D136 E140 V141 H142 | D136-N138 PolarHBondContact O-N 3.31Å; N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 PolarHBondContact OD1-N 3.27Å; N138-V141 PolarHBondContact O-N 3.44Å; N138-V141 VanDerWaalsContact O-N 3.1Å; N138-H142 PolarHBondContact N-ND1 2.94Å; N138-H142 VanDerWaalsContact N-ND1 3.14Å; N138-H142 WeakPolarHBondContact O-CB 3.35Å; N138-H142 PolarHBondContact O-N 2.94Å; N138-H142 PolarHBondContact O-ND1 2.92Å | ||
| 139 | K | 93.6 | Very high | 94.8 | Very high | 165 Ų | 165 | 60.2 Ų | 60.2 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.2 | -179.4 | -175.5 | 173.9 | 179.6 | 175.4 | 0 | 115 | Y137 | Y137-K139 HydrophobicContact CE1-CB 4.47Š|
| 140 | E | 92.5 | Very high | 94.5 | Very high | 167 Ų | 167 | 61.7 Ų | 61.7 | 78% | 0.78 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -28.4 | 178.4 | -62.1 | 175.7 | 163.5 | 0 | 0 | 112.7 | N138 | N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 PolarHBondContact OD1-N 3.27Å |
| 141 | V | 92.8 | Very high | 94.3 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -43.2 | -177.5 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | N138 T143 | N138-V141 PolarHBondContact O-N 3.44Å; N138-V141 VanDerWaalsContact O-N 3.1Å; V141-T143 PolarHBondContact O-N 3.48Å |
| 142 | H | 95.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 67.4 Ų | 67.4 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -93.3 | 69.3 | -175 | -56.5 | 92.6 | 0 | 0 | 0 | 110 | Y137 N138 Y146 | Y137-H142 HydrophobicContact CD2-CB 3.69Å; Y137-H142 HydrophobicContact CE2-CB 3.55Å; N138-H142 PolarHBondContact N-ND1 2.94Å; N138-H142 VanDerWaalsContact N-ND1 3.14Å; N138-H142 WeakPolarHBondContact O-CB 3.35Å; N138-H142 PolarHBondContact O-N 2.94Å; N138-H142 PolarHBondContact O-ND1 2.92Å; H142-Y146 HydrophobicContact CB-CD1 3.93Å; H142-Y146 HydrophobicContact CB-CD2 4.1Å; H142-Y146 HydrophobicContact CB-CE1 4.04Å; H142-Y146 HydrophobicContact CB-CE2 4.18Å; H142-Y146 HydrophobicContact CB-CG 3.97Å; H142-Y146 AromaticContact CD2-CD2 3.56Å; H142-Y146 AromaticContact CD2-CE2 3.62Å |
| 143 | T | 92.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 67.6 Ų | 67.6 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | trans | -71.8 | 165.2 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | V141 G145 Y146 | V141-T143 PolarHBondContact O-N 3.48Å; T143-G145 PolarHBondContact O-N 3.22Å; T143-Y146 WeakPolarHBondContact O-CB 3.43Å; T143-Y146 WeakPolarHBondContact O-CD1 3.48Å; T143-Y146 PolarHBondContact O-N 3.36Å; T143-Y146 VanDerWaalsContact O-N 3.12Å | ||
| 144 | S | 90.7 | Very high | 94.1 | Very high | 122 Ų | 122 | 62.3 Ų | 62.3 | 85% | 0.853 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 135.4 | -177.4 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 145 | G | 91.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 3.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T143 L147 S148 E169 | T143-G145 PolarHBondContact O-N 3.22Å; G145-L147 PolarHBondContact O-N 2.91Å; G145-L147 VanDerWaalsContact O-N 3.16Å; G145-S148 WeakPolarHBondContact O-CB 3.35Å; G145-S148 PolarHBondContact O-N 3.3Å; G145-S148 PolarHBondContact O-OG 3.39Å; G145-E169 WeakPolarHBondContact CA-OE2 3.17Å |
| 146 | Y | 95.3 | Very high | 94.2 | Very high | 39 Ų | 39 | 64 Ų | 64 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.7 | 177.9 | 81.6 | -82.3 | 0 | 0 | 0 | 114.5 | V130 Y137 H142 T143 Q173 H176 | V130-Y146 HydrophobicContact CG1-CE2 4.22Å; Y137-Y146 HydrophobicContact CE2-CE1 4.43Å; H142-Y146 HydrophobicContact CB-CD1 3.93Å; H142-Y146 HydrophobicContact CB-CD2 4.1Å; H142-Y146 HydrophobicContact CB-CE1 4.04Å; H142-Y146 HydrophobicContact CB-CE2 4.18Å; H142-Y146 HydrophobicContact CB-CG 3.97Å; H142-Y146 AromaticContact CD2-CD2 3.56Å; H142-Y146 AromaticContact CD2-CE2 3.62Å; T143-Y146 WeakPolarHBondContact O-CB 3.43Å; T143-Y146 WeakPolarHBondContact O-CD1 3.48Å; T143-Y146 PolarHBondContact O-N 3.36Å; T143-Y146 VanDerWaalsContact O-N 3.12Å; Y146-Q173 HydrophobicContact CE1-CB 4.37Å; Y146-Q173 HydrophobicContact CE1-CG 4.09Å; Y146-H176 AromaticContact CZ-ND1 3.94Å; Y146-H176 PolarHBondContact OH-ND1 2.68Å |
| 147 | L | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 0.9 | 175.4 | -63.5 | 179.6 | 0 | 0 | 0 | 112.6 | V130 F134 G145 S149 E150 L152 E169 I172 | V130-L147 HydrophobicContact CB-CD2 4.44Å; V130-L147 HydrophobicContact CG1-CD2 3.83Å; V130-L147 HydrophobicContact CG2-CD1 4.2Å; V130-L147 HydrophobicContact CG2-CD2 3.65Å; F134-L147 HydrophobicContact CD2-CD2 4.49Å; F134-L147 HydrophobicContact CE2-CD2 3.92Å; F134-L147 HydrophobicContact CZ-CD2 4.38Å; G145-L147 PolarHBondContact O-N 2.91Å; G145-L147 VanDerWaalsContact O-N 3.16Å; L147-S149 PolarHBondContact O-N 3.17Å; L147-S149 VanDerWaalsContact O-N 3.12Å; L147-E150 HydrophobicContact CD2-CG 4.32Å; L147-E150 VanDerWaalsContact O-CB 3.3Å; L147-E150 WeakPolarHBondContact O-CB 3.25Å; L147-E150 PolarHBondContact O-N 2.82Å; L147-L152 HydrophobicContact CB-CD1 4.11Å; L147-L152 HydrophobicContact CD1-CD1 3.97Å; L147-L152 HydrophobicContact CD2-CD1 4.21Å; L147-L152 HydrophobicContact CG-CD1 4.32Å; L147-E169 HydrophobicContact CB-CB 4.3Å; L147-E169 HydrophobicContact CB-CG 3.79Å; L147-E169 WeakPolarHBondContact CB-OE2 3.13Å; L147-E169 HydrophobicContact CD1-CB 4.49Å; L147-E169 PolarHBondContact N-OE2 2.81Å; L147-I172 HydrophobicContact CD1-CB 4.2Å; L147-I172 HydrophobicContact CD1-CG2 3.97Å |
| 148 | S | 91.4 | Very high | 94.3 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.8 | -171.2 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | G145 K165 E169 | G145-S148 WeakPolarHBondContact O-CB 3.35Å; G145-S148 PolarHBondContact O-N 3.3Å; G145-S148 PolarHBondContact O-OG 3.39Å; S148-K165 PolarHBondContact O-NZ 3.23Å; S148-E169 VanDerWaalsContact CA-OE1 3.25Å; S148-E169 WeakPolarHBondContact CA-OE1 3.39Å; S148-E169 WeakPolarHBondContact CB-OE1 3.38Å; S148-E169 PolarHBondContact N-OE2 2.94Å; S148-E169 VanDerWaalsContact N-OE2 3.16Å |
| 149 | S | 90.9 | Very high | 94.4 | Very high | 96 Ų | 96 | 63.5 Ų | 63.5 | 67% | 0.671 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10.7 | 169.4 | 55 | 0 | 0 | 0 | 0 | 114.3 | L147 | L147-S149 PolarHBondContact O-N 3.17Å; L147-S149 VanDerWaalsContact O-N 3.12Å |
| 150 | E | 93.7 | Very high | 94.5 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | trans | -93.6 | 140.9 | -166 | -55.8 | -55 | 120.9 | 0 | 0 | 113.3 | K133 F134 L147 L152 | K133-E150 IonicContact NZ-OE1 3.85Å; K133-E150 PolarHBondContact NZ-OE1 2.95Å; K133-E150 IonicContact NZ-OE2 3.75Å; K133-E150 PolarHBondContact NZ-OE2 2.72Å; F134-E150 HydrophobicContact CE2-CG 4.3Å; F134-E150 HydrophobicContact CZ-CG 4.27Å; L147-E150 HydrophobicContact CD2-CG 4.32Å; L147-E150 VanDerWaalsContact O-CB 3.3Å; L147-E150 WeakPolarHBondContact O-CB 3.25Å; L147-E150 PolarHBondContact O-N 2.82Å; E150-L152 HydrophobicContact CB-CD1 3.91Å; E150-L152 HydrophobicContact CB-CD2 3.79Å; E150-L152 HydrophobicContact CB-CG 3.58Å | ||
| 151 | N | 94 | Very high | 94.8 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | trans | -96.6 | 106.8 | 162.5 | -173.7 | 10.6 | 0 | 0 | 0 | 108.9 | L111 L153 | L111-N151 WeakPolarHBondContact CD1-O 3.43Å; N151-L153 PolarHBondContact OD1-O 2.6Å | ||
| 152 | L | 92.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | trans | -116.4 | -21.7 | -168.3 | -64.8 | 177.3 | 0 | 0 | 0 | 114.5 | A126 V130 L147 E150 I172 | A126-L152 HydrophobicContact CB-CB 4.11Å; A126-L152 WeakPolarHBondContact CB-O 3.36Å; V130-L152 HydrophobicContact CG2-CD1 3.98Å; V130-L152 HydrophobicContact CG2-CD2 3.9Å; L147-L152 HydrophobicContact CB-CD1 4.11Å; L147-L152 HydrophobicContact CD1-CD1 3.97Å; L147-L152 HydrophobicContact CD2-CD1 4.21Å; L147-L152 HydrophobicContact CG-CD1 4.32Å; E150-L152 HydrophobicContact CB-CD1 3.91Å; E150-L152 HydrophobicContact CB-CD2 3.79Å; E150-L152 HydrophobicContact CB-CG 3.58Å; L152-I172 HydrophobicContact CB-CD1 4.03Å; L152-I172 HydrophobicContact CD1-CD1 3.92Å; L152-I172 HydrophobicContact CD1-CG2 4.3Å | ||
| 153 | L | 98 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -131.7 | 145.2 | -176.4 | -67.2 | 174.7 | 0 | 0 | 0 | 111 | A122 V123 A126 N151 V157 L158 W168 I172 | A122-L153 HydrophobicContact CB-CD2 3.99Å; A122-L153 WeakPolarHBondContact O-CD2 3.27Å; V123-L153 HydrophobicContact CG2-CD1 4.41Å; V123-L153 HydrophobicContact CG2-CD2 3.99Å; A126-L153 HydrophobicContact CB-CD2 4.13Å; N151-L153 PolarHBondContact OD1-O 2.6Å; L153-V157 HydrophobicContact CD1-CG1 4.49Å; L153-V157 HydrophobicContact CD2-CG1 4.47Å; L153-L158 HydrophobicContact CB-CD2 3.9Å; L153-L158 HydrophobicContact CB-CG 4.11Å; L153-L158 HydrophobicContact CD1-CD2 3.8Å; L153-L158 HydrophobicContact CG-CD2 4.46Å; L153-W168 HydrophobicContact CD1-CD2 3.61Å; L153-W168 HydrophobicContact CD1-CE3 3.4Å; L153-W168 HydrophobicContact CD1-CG 4.16Å; L153-W168 HydrophobicContact CD1-CH2 4.17Å; L153-W168 HydrophobicContact CD1-CZ2 4.34Å; L153-W168 HydrophobicContact CD1-CZ3 3.72Å; L153-I172 HydrophobicContact CD1-CD1 4.23Å; L153-I172 HydrophobicContact CG-CD1 4.28Å |
| 154 | P | 98 | Very high | 95 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -61.4 | 144 | 172.5 | -16.2 | 28.7 | 0 | 0 | 0 | 110.7 | I110 R156 V157 L158 | I110-P154 HydrophobicContact CG2-CG 4.2Å; I110-P154 WeakPolarHBondContact O-CG 3.3Å; P154-R156 PolarHBondContact O-N 3.35Å; P154-R156 VanDerWaalsContact O-N 3.14Å; P154-V157 HydrophobicContact CB-CG2 4.3Å; P154-V157 HydrophobicContact CG-CG2 4.11Å; P154-V157 WeakPolarHBondContact O-CA 3.44Å; P154-V157 WeakPolarHBondContact O-CB 3.33Å; P154-V157 PolarHBondContact O-N 3.44Å; P154-L158 PolarHBondContact O-N 2.85Å | ||
| 155 | Q | 97.1 | Very high | 95.1 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 54% | 0.537 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.6 | -37.3 | -177.4 | -172.3 | 63 | 44.8 | 0 | 0 | 112.6 | V157 L158 D159 | Q155-V157 VanDerWaalsContact C-N 3.25Å; Q155-V157 PolarHBondContact O-N 3.4Å; Q155-L158 PolarHBondContact O-N 3.44Å; Q155-D159 PolarHBondContact NE2-OD1 3.31Å; Q155-D159 WeakPolarHBondContact O-CB 3.47Å; Q155-D159 VanDerWaalsContact O-CG 3.3Å; Q155-D159 PolarHBondContact O-N 3.25Å |
| 156 | R | 97.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.5 | -34.6 | 172.7 | 173.6 | -178.8 | 54 | 73.4 | 12.3 | 113.8 | D113 C117 P154 Q160 T541 D544 | D113-R156 IonicContact OD1-CZ 3.57Å; D113-R156 IonicContact OD1-NE 2.68Å; D113-R156 PolarHBondContact OD1-NE 2.84Å; D113-R156 IonicContact OD1-NH2 2.62Å; D113-R156 PolarHBondContact OD1-NH2 3.41Å; D113-R156 WeakPolarHBondContact OD2-CD 3.45Å; D113-R156 IonicContact OD2-CZ 3.31Å; D113-R156 IonicContact OD2-NE 2.78Å; D113-R156 PolarHBondContact OD2-NE 3.28Å; D113-R156 IonicContact OD2-NH2 3.47Å; C117-R156 PolarHBondContact O-NH1 2.88Å; C117-R156 PolarHBondContact O-NH2 2.99Å; P154-R156 PolarHBondContact O-N 3.35Å; P154-R156 VanDerWaalsContact O-N 3.14Å; R156-Q160 WeakPolarHBondContact O-CB 3.33Å; R156-Q160 WeakPolarHBondContact O-CG 3.48Å; R156-Q160 PolarHBondContact O-N 3.08Å; R156-Q160 PolarHBondContact O-NE2 3.23Å; R156-T541 HydrophobicContact CG-CG2 3.86Å; R156-D544 WeakPolarHBondContact CD-OD2 3.44Å; R156-D544 IonicContact CZ-OD1 3.04Å; R156-D544 IonicContact NH1-OD1 2.69Å; R156-D544 PolarHBondContact NH1-OD1 3.16Å |
| 157 | V | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.6 | -41.6 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | P119 A122 L153 P154 Q155 H161 W168 | P119-V157 HydrophobicContact CB-CG1 4.04Å; A122-V157 HydrophobicContact CB-CG2 4.11Å; L153-V157 HydrophobicContact CD1-CG1 4.49Å; L153-V157 HydrophobicContact CD2-CG1 4.47Å; P154-V157 HydrophobicContact CB-CG2 4.3Å; P154-V157 HydrophobicContact CG-CG2 4.11Å; P154-V157 WeakPolarHBondContact O-CA 3.44Å; P154-V157 WeakPolarHBondContact O-CB 3.33Å; P154-V157 PolarHBondContact O-N 3.44Å; Q155-V157 VanDerWaalsContact C-N 3.25Å; Q155-V157 PolarHBondContact O-N 3.4Å; V157-H161 PolarHBondContact O-ND1 2.81Å; V157-W168 HydrophobicContact CG1-CH2 3.91Å; V157-W168 HydrophobicContact CG1-CZ2 4.35Å |
| 158 | L | 96.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 173.8 | -60.9 | 176.6 | 0 | 0 | 0 | 111.1 | L153 P154 Q155 Q160 H161 W168 | L153-L158 HydrophobicContact CB-CD2 3.9Å; L153-L158 HydrophobicContact CB-CG 4.11Å; L153-L158 HydrophobicContact CD1-CD2 3.8Å; L153-L158 HydrophobicContact CG-CD2 4.46Å; P154-L158 PolarHBondContact O-N 2.85Å; Q155-L158 PolarHBondContact O-N 3.44Å; L158-Q160 PolarHBondContact O-N 3.25Å; L158-H161 PolarHBondContact O-N 2.59Å; L158-W168 HydrophobicContact CD2-CD2 4.25Å; L158-W168 HydrophobicContact CD2-CG 4.08Å; L158-W168 HydrophobicContact CD2-CZ2 4.46Å |
| 159 | D | 96.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | -176.2 | -72.7 | -18.8 | 0 | 0 | 0 | 112.3 | Q155 H161 K539 | Q155-D159 PolarHBondContact NE2-OD1 3.31Å; Q155-D159 WeakPolarHBondContact O-CB 3.47Å; Q155-D159 VanDerWaalsContact O-CG 3.3Å; Q155-D159 PolarHBondContact O-N 3.25Å; D159-H161 VanDerWaalsContact C-N 3.26Å; D159-H161 PolarHBondContact O-N 2.86Å; D159-K539 WeakPolarHBondContact O-CD 3.42Å; D159-K539 WeakPolarHBondContact O-CE 3.13Å; D159-K539 PolarHBondContact O-NZ 3Å |
| 160 | Q | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 5.8 | -174.7 | 86.2 | 178.7 | -90.9 | 0 | 0 | 115.1 | R156 L158 R535 D536 K539 D544 | R156-Q160 WeakPolarHBondContact O-CB 3.33Å; R156-Q160 WeakPolarHBondContact O-CG 3.48Å; R156-Q160 PolarHBondContact O-N 3.08Å; R156-Q160 PolarHBondContact O-NE2 3.23Å; L158-Q160 PolarHBondContact O-N 3.25Å; Q160-R535 VanDerWaalsContact OE1-NE 3.08Å; Q160-D536 PolarHBondContact O-N 2.99Å; Q160-K539 HydrophobicContact CB-CB 4.08Å; Q160-D544 PolarHBondContact NE2-OD1 2.89Å |
| 161 | H | 97.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 149 | 173.4 | -56.1 | 84.3 | 0 | 0 | 0 | 111.9 | V157 L158 D159 L163 W168 A534 | V157-H161 PolarHBondContact O-ND1 2.81Å; L158-H161 PolarHBondContact O-N 2.59Å; D159-H161 VanDerWaalsContact C-N 3.26Å; D159-H161 PolarHBondContact O-N 2.86Å; H161-L163 HydrophobicContact CB-CD1 4.41Å; H161-L163 HydrophobicContact CB-CG 4.25Å; H161-L163 PolarHBondContact O-N 2.85Å; H161-L163 VanDerWaalsContact O-N 3.11Å; H161-W168 HydrophobicContact CB-CH2 4.25Å; H161-W168 HydrophobicContact CB-CZ2 3.77Å; H161-W168 AromaticContact CG-CH2 3.95Å; H161-W168 AromaticContact CG-CZ2 3.91Å; H161-W168 AromaticContact ND1-CH2 3.68Å; H161-W168 AromaticContact ND1-CZ2 3.73Å; H161-A534 CarbonylContact C-O 3.49Å; H161-A534 WeakPolarHBondContact CA-O 3.43Å; H161-A534 HydrophobicContact CB-CB 4.43Å |
| 162 | K | 95.6 | Very high | 95.9 | Very high | 141 Ų | 141 | 51.1 Ų | 51.1 | 61% | 0.613 | 24% | 0.239 | S | C | * | . | trans | -88.3 | 50.3 | 178.7 | -66.5 | 167.1 | -177.5 | 157.1 | 0 | 110.7 | A534 D536 | K162-A534 PolarHBondContact N-O 3.19Å; K162-D536 VanDerWaalsContact CE-CG 3.49Å; K162-D536 WeakPolarHBondContact CE-OD2 3.39Å; K162-D536 IonicContact NZ-OD1 2.7Å; K162-D536 IonicContact NZ-OD2 3.37Å; K162-D536 PolarHBondContact NZ-OD2 2.85Å | ||
| 163 | L | 95.4 | Very high | 96.2 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | trans | -114.5 | 136.5 | 178.5 | -62.3 | 179.2 | 0 | 0 | 0 | 109.9 | H161 Q167 W168 L531 A534 | H161-L163 HydrophobicContact CB-CD1 4.41Å; H161-L163 HydrophobicContact CB-CG 4.25Å; H161-L163 PolarHBondContact O-N 2.85Å; H161-L163 VanDerWaalsContact O-N 3.11Å; L163-Q167 HydrophobicContact CB-CB 4.25Å; L163-Q167 HydrophobicContact CD2-CB 4.26Å; L163-W168 HydrophobicContact CB-CD2 4.34Å; L163-W168 HydrophobicContact CB-CG 4.43Å; L163-W168 HydrophobicContact CB-CZ2 4.47Å; L163-W168 HydrophobicContact CD1-CD2 3.96Å; L163-W168 HydrophobicContact CD1-CE3 4Å; L163-W168 HydrophobicContact CD1-CH2 4.02Å; L163-W168 HydrophobicContact CD1-CZ2 3.97Å; L163-W168 HydrophobicContact CD1-CZ3 4.02Å; L163-L531 HydrophobicContact CD1-CD2 4.33Å; L163-A534 HydrophobicContact CD1-CB 4.25Å; L163-A534 HydrophobicContact CD2-CB 3.71Å; L163-A534 HydrophobicContact CG-CB 3.79Å | ||
| 164 | N | 93.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | trans | -77 | 176.2 | 169.4 | 86.5 | -2.2 | 0 | 0 | 0 | 110.5 | E166 Q167 W168 | N164-E166 PolarHBondContact ND2-OE2 3.35Å; N164-E166 PolarHBondContact OD1-N 3.21Å; N164-E166 VanDerWaalsContact OD1-N 3.09Å; N164-Q167 PolarHBondContact O-N 3.1Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.37Å; N164-Q167 VanDerWaalsContact OD1-CG 3.24Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.34Å; N164-Q167 PolarHBondContact OD1-N 2.84Å; N164-W168 PolarHBondContact O-N 3.11Å | ||
| 165 | K | 93.2 | Very high | 96 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | -178.5 | -175.4 | 174.5 | 176 | 175.1 | 0 | 112.9 | S148 Q167 W168 E169 | S148-K165 PolarHBondContact O-NZ 3.23Å; K165-Q167 VanDerWaalsContact C-N 3.32Å; K165-Q167 PolarHBondContact O-N 3.24Å; K165-W168 WeakPolarHBondContact O-CB 3.49Å; K165-W168 PolarHBondContact O-N 2.9Å; K165-W168 VanDerWaalsContact O-N 3.08Å; K165-E169 WeakPolarHBondContact CE-OE1 3.16Å; K165-E169 PolarHBondContact O-N 3.47Å |
| 166 | E | 93.8 | Very high | 96.1 | Very high | 125 Ų | 125 | 50.8 Ų | 50.8 | 58% | 0.584 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.9 | -43.9 | 179.9 | -60.6 | 156.2 | 157.3 | 0 | 0 | 110.7 | N164 W168 E169 E170 | N164-E166 PolarHBondContact ND2-OE2 3.35Å; N164-E166 PolarHBondContact OD1-N 3.21Å; N164-E166 VanDerWaalsContact OD1-N 3.09Å; E166-W168 PolarHBondContact O-N 2.89Å; E166-E169 CarbonylContact O-C 3.54Å; E166-E169 PolarHBondContact O-N 2.83Å; E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3Å |
| 167 | Q | 95.3 | Very high | 96 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 34% | 0.341 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -23.8 | 176.3 | -72.4 | 172.5 | -28.1 | 0 | 0 | 114 | L163 N164 K165 R171 | L163-Q167 HydrophobicContact CB-CB 4.25Å; L163-Q167 HydrophobicContact CD2-CB 4.26Å; N164-Q167 PolarHBondContact O-N 3.1Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.37Å; N164-Q167 VanDerWaalsContact OD1-CG 3.24Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.34Å; N164-Q167 PolarHBondContact OD1-N 2.84Å; K165-Q167 VanDerWaalsContact C-N 3.32Å; K165-Q167 PolarHBondContact O-N 3.24Å; Q167-R171 WeakPolarHBondContact O-CD 3.24Å; Q167-R171 WeakPolarHBondContact O-CG 3.36Å; Q167-R171 PolarHBondContact O-NH1 2.98Å |
| 168 | W | 96.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.8 | -42.6 | 168.7 | -76.7 | 118.8 | 0 | 0 | 0 | 111.6 | V123 L153 V157 L158 H161 L163 N164 K165 E166 R171 I172 L531 | V123-W168 HydrophobicContact CG2-CE3 4.25Å; V123-W168 HydrophobicContact CG2-CH2 4.5Å; V123-W168 HydrophobicContact CG2-CZ3 3.6Å; L153-W168 HydrophobicContact CD1-CD2 3.61Å; L153-W168 HydrophobicContact CD1-CE3 3.4Å; L153-W168 HydrophobicContact CD1-CG 4.16Å; L153-W168 HydrophobicContact CD1-CH2 4.17Å; L153-W168 HydrophobicContact CD1-CZ2 4.34Å; L153-W168 HydrophobicContact CD1-CZ3 3.72Å; V157-W168 HydrophobicContact CG1-CH2 3.91Å; V157-W168 HydrophobicContact CG1-CZ2 4.35Å; L158-W168 HydrophobicContact CD2-CD2 4.25Å; L158-W168 HydrophobicContact CD2-CG 4.08Å; L158-W168 HydrophobicContact CD2-CZ2 4.46Å; H161-W168 HydrophobicContact CB-CH2 4.25Å; H161-W168 HydrophobicContact CB-CZ2 3.77Å; H161-W168 AromaticContact CG-CH2 3.95Å; H161-W168 AromaticContact CG-CZ2 3.91Å; H161-W168 AromaticContact ND1-CH2 3.68Å; H161-W168 AromaticContact ND1-CZ2 3.73Å; L163-W168 HydrophobicContact CB-CD2 4.34Å; L163-W168 HydrophobicContact CB-CG 4.43Å; L163-W168 HydrophobicContact CB-CZ2 4.47Å; L163-W168 HydrophobicContact CD1-CD2 3.96Å; L163-W168 HydrophobicContact CD1-CE3 4Å; L163-W168 HydrophobicContact CD1-CH2 4.02Å; L163-W168 HydrophobicContact CD1-CZ2 3.97Å; L163-W168 HydrophobicContact CD1-CZ3 4.02Å; N164-W168 PolarHBondContact O-N 3.11Å; K165-W168 WeakPolarHBondContact O-CB 3.49Å; K165-W168 PolarHBondContact O-N 2.9Å; K165-W168 VanDerWaalsContact O-N 3.08Å; E166-W168 PolarHBondContact O-N 2.89Å; W168-R171 PolarHBondContact O-N 2.87Å; W168-I172 VanDerWaalsContact O-CG1 3.31Å; W168-I172 WeakPolarHBondContact O-CG1 3.36Å; W168-I172 PolarHBondContact O-N 2.94Å; W168-L531 HydrophobicContact CH2-CD2 3.84Å; W168-L531 HydrophobicContact CZ3-CD2 3.59Å |
| 169 | E | 95.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.3 | -66.5 | -174.5 | -141.6 | 0 | 0 | 111.7 | G145 L147 S148 K165 E166 I172 Q173 | G145-E169 WeakPolarHBondContact CA-OE2 3.17Å; L147-E169 HydrophobicContact CB-CB 4.3Å; L147-E169 HydrophobicContact CB-CG 3.79Å; L147-E169 WeakPolarHBondContact CB-OE2 3.13Å; L147-E169 HydrophobicContact CD1-CB 4.49Å; L147-E169 PolarHBondContact N-OE2 2.81Å; S148-E169 VanDerWaalsContact CA-OE1 3.25Å; S148-E169 WeakPolarHBondContact CA-OE1 3.39Å; S148-E169 WeakPolarHBondContact CB-OE1 3.38Å; S148-E169 PolarHBondContact N-OE2 2.94Å; S148-E169 VanDerWaalsContact N-OE2 3.16Å; K165-E169 WeakPolarHBondContact CE-OE1 3.16Å; K165-E169 PolarHBondContact O-N 3.47Å; E166-E169 CarbonylContact O-C 3.54Å; E166-E169 PolarHBondContact O-N 2.83Å; E169-I172 PolarHBondContact O-N 3.43Å; E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 3.46Å |
| 170 | E | 94.3 | Very high | 95.8 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.6 | -50.4 | 172.7 | -74.4 | 174.4 | 162.1 | 0 | 0 | 112.1 | E166 I172 Q173 V174 | E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3Å; E170-I172 PolarHBondContact O-N 3.16Å; E170-Q173 WeakPolarHBondContact O-CB 3.48Å; E170-Q173 PolarHBondContact O-N 3.16Å; E170-V174 PolarHBondContact O-N 2.66Å |
| 171 | R | 95.6 | Very high | 95.6 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 179.2 | -77.6 | 168.4 | 176.2 | 67.2 | 5.2 | 111.5 | Q167 W168 Q173 V174 W175 | Q167-R171 WeakPolarHBondContact O-CD 3.24Å; Q167-R171 WeakPolarHBondContact O-CG 3.36Å; Q167-R171 PolarHBondContact O-NH1 2.98Å; W168-R171 PolarHBondContact O-N 2.87Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 3.34Å; R171-V174 PolarHBondContact O-N 3.12Å; R171-W175 VanDerWaalsContact O-CD1 3.27Å; R171-W175 PolarHBondContact O-N 2.69Å |
| 172 | I | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -32.3 | 178.7 | -62.8 | 164.3 | 0 | 0 | 0 | 110.8 | V123 A126 V130 L147 L152 L153 W168 E169 E170 H176 | V123-I172 HydrophobicContact CG1-CG1 4.19Å; A126-I172 HydrophobicContact CB-CD1 3.92Å; A126-I172 HydrophobicContact CB-CG1 4.12Å; A126-I172 HydrophobicContact CB-CG2 4.22Å; V130-I172 HydrophobicContact CG2-CG2 3.87Å; L147-I172 HydrophobicContact CD1-CB 4.2Å; L147-I172 HydrophobicContact CD1-CG2 3.97Å; L152-I172 HydrophobicContact CB-CD1 4.03Å; L152-I172 HydrophobicContact CD1-CD1 3.92Å; L152-I172 HydrophobicContact CD1-CG2 4.3Å; L153-I172 HydrophobicContact CD1-CD1 4.23Å; L153-I172 HydrophobicContact CG-CD1 4.28Å; W168-I172 VanDerWaalsContact O-CG1 3.31Å; W168-I172 WeakPolarHBondContact O-CG1 3.36Å; W168-I172 PolarHBondContact O-N 2.94Å; E169-I172 PolarHBondContact O-N 3.43Å; E170-I172 PolarHBondContact O-N 3.16Å; I172-H176 WeakPolarHBondContact O-CB 3.36Å; I172-H176 PolarHBondContact O-N 3.01Å |
| 173 | Q | 97.2 | Very high | 95.3 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.7 | -175.3 | -88.6 | -82.6 | 0 | 0 | 112.4 | Y137 Y146 E169 E170 R171 W175 H176 E177 | Y137-Q173 HydrophobicContact CD2-CG 4.16Å; Y137-Q173 HydrophobicContact CE1-CG 4.46Å; Y137-Q173 VanDerWaalsContact CE1-NE2 3.3Å; Y137-Q173 HydrophobicContact CE2-CG 3.6Å; Y137-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y137-Q173 PolarHBondContact OH-OE1 3.39Å; Y146-Q173 HydrophobicContact CE1-CB 4.37Å; Y146-Q173 HydrophobicContact CE1-CG 4.09Å; E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 3.46Å; E170-Q173 WeakPolarHBondContact O-CB 3.48Å; E170-Q173 PolarHBondContact O-N 3.16Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 3.34Å; Q173-W175 VanDerWaalsContact C-N 3.32Å; Q173-W175 PolarHBondContact O-N 2.67Å; Q173-H176 WeakPolarHBondContact O-CB 3.46Å; Q173-H176 PolarHBondContact O-N 2.96Å; Q173-H176 VanDerWaalsContact O-N 3.1Å; Q173-E177 PolarHBondContact NE2-OE2 3.12Å; Q173-E177 PolarHBondContact O-N 2.73Å |
| 174 | V | 96.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 178 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | E170 R171 H176 E177 E178 | E170-V174 PolarHBondContact O-N 2.66Å; R171-V174 PolarHBondContact O-N 3.12Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.14Å; V174-E177 PolarHBondContact O-N 2.62Å; V174-E178 PolarHBondContact O-N 2.83Å |
| 175 | W | 96.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.9 | -20.9 | 177.3 | -70.7 | 103.7 | 0 | 0 | 0 | 113.8 | L124 R171 Q173 E178 H179 H523 A526 L527 E530 | L124-W175 HydrophobicContact CD1-CE3 4.41Å; R171-W175 VanDerWaalsContact O-CD1 3.27Å; R171-W175 PolarHBondContact O-N 2.69Å; Q173-W175 VanDerWaalsContact C-N 3.32Å; Q173-W175 PolarHBondContact O-N 2.67Å; W175-E178 HydrophobicContact CE3-CG 4.42Å; W175-H179 PolarHBondContact O-CD2 2.85Å; W175-H179 PolarHBondContact O-NE2 3.19Å; W175-H179 VanDerWaalsContact O-NE2 3.08Å; W175-H523 AromaticContact CE3-ND1 3.95Å; W175-H523 HydrophobicContact CH2-CB 4.05Å; W175-H523 HydrophobicContact CZ3-CB 3.82Å; W175-H523 AromaticContact CZ3-CD2 3.85Å; W175-H523 AromaticContact CZ3-CE1 3.77Å; W175-H523 AromaticContact CZ3-CG 3.45Å; W175-H523 VanDerWaalsContact CZ3-CG 3.45Å; W175-H523 AromaticContact CZ3-ND1 3.42Å; W175-H523 WeakPolarHBondContact CZ3-ND1 3.39Å; W175-A526 HydrophobicContact CH2-CB 4.06Å; W175-A526 HydrophobicContact CZ2-CB 3.98Å; W175-L527 HydrophobicContact CD2-CD1 4.22Å; W175-L527 HydrophobicContact CD2-CG 4.39Å; W175-L527 HydrophobicContact CZ2-CD1 4.32Å; W175-L527 HydrophobicContact CZ2-CD2 4.48Å; W175-L527 HydrophobicContact CZ2-CG 3.84Å; W175-L527 VanDerWaalsContact NE1-CD2 3.27Å; W175-E530 PolarHBondContact NE1-OE2 2.95Å |
| 176 | H | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.1 | -37.1 | 171.1 | 171.5 | -148.3 | 0 | 0 | 0 | 111.8 | V130 Q131 G135 Y137 Y146 I172 Q173 V174 E178 H179 | V130-H176 HydrophobicContact CG1-CB 4.24Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.43Å; Q131-H176 PolarHBondContact OE1-CD2 3.39Å; G135-H176 PolarHBondContact O-NE2 2.8Å; Y137-H176 AromaticContact CD2-ND1 3.99Å; Y146-H176 AromaticContact CZ-ND1 3.94Å; Y146-H176 PolarHBondContact OH-ND1 2.68Å; I172-H176 WeakPolarHBondContact O-CB 3.36Å; I172-H176 PolarHBondContact O-N 3.01Å; Q173-H176 WeakPolarHBondContact O-CB 3.46Å; Q173-H176 PolarHBondContact O-N 2.96Å; Q173-H176 VanDerWaalsContact O-N 3.1Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.14Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.43Å; H176-H179 PolarHBondContact O-N 2.95Å; H176-H179 VanDerWaalsContact O-N 3.16Å |
| 177 | E | 96.6 | Very high | 95.6 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -31.5 | 177.5 | -172.2 | 157.4 | -159.6 | 0 | 0 | 112.5 | Y137 Q173 V174 H179 K180 | Y137-E177 HydrophobicContact CD1-CB 3.83Å; Y137-E177 VanDerWaalsContact CD1-CD 3.46Å; Y137-E177 HydrophobicContact CD1-CG 3.74Å; Y137-E177 HydrophobicContact CE1-CB 4.45Å; Y137-E177 HydrophobicContact CE1-CG 4.31Å; Y137-E177 VanDerWaalsContact CE1-OE2 3.3Å; Y137-E177 WeakPolarHBondContact CE1-OE2 3.37Å; Y137-E177 HydrophobicContact CG-CB 4.41Å; Q173-E177 PolarHBondContact NE2-OE2 3.12Å; Q173-E177 PolarHBondContact O-N 2.73Å; V174-E177 PolarHBondContact O-N 2.62Å; E177-H179 PolarHBondContact O-N 2.99Å; E177-K180 WeakPolarHBondContact O-CB 3.49Å; E177-K180 PolarHBondContact O-N 3.41Å |
| 178 | E | 96 | Very high | 95.8 | Very high | 96 Ų | 96 | 47.8 Ų | 47.8 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13 | 173.1 | -83.7 | -69.4 | 122.2 | 0 | 0 | 115.3 | V174 W175 H176 R519 | V174-E178 PolarHBondContact O-N 2.83Å; W175-E178 HydrophobicContact CE3-CG 4.42Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.43Å; E178-R519 PolarHBondContact O-NH2 2.84Å; E178-R519 IonicContact OE2-CZ 2.78Å; E178-R519 IonicContact OE2-NH2 3.83Å; E178-R519 PolarHBondContact OE2-NH2 3.16Å |
| 179 | H | 96.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.7 | 177.8 | -59.2 | -42.6 | 0 | 0 | 0 | 113.9 | S127 Y128 Q131 W175 H176 E177 G181 M182 | S127-H179 PolarHBondContact OG-NE2 3.26Å; Y128-H179 AromaticContact CD1-CE1 3.76Å; Y128-H179 AromaticContact CD1-NE2 3.81Å; Y128-H179 AromaticContact CE1-CE1 3.26Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.47Å; Y128-H179 AromaticContact CE1-ND1 3.43Å; Y128-H179 WeakPolarHBondContact CE1-ND1 3.3Å; Y128-H179 AromaticContact CE1-NE2 3.81Å; Y128-H179 AromaticContact CE2-CE1 3.8Å; Y128-H179 AromaticContact CG-NE2 3.97Å; Y128-H179 AromaticContact CZ-CE1 3.28Å; Y128-H179 AromaticContact CZ-ND1 3.83Å; Y128-H179 AromaticContact CZ-NE2 3.97Å; Q131-H179 HydrophobicContact CB-CB 4.14Å; Q131-H179 HydrophobicContact CG-CB 3.87Å; W175-H179 PolarHBondContact O-CD2 2.85Å; W175-H179 PolarHBondContact O-NE2 3.19Å; W175-H179 VanDerWaalsContact O-NE2 3.08Å; H176-H179 PolarHBondContact O-N 2.95Å; H176-H179 VanDerWaalsContact O-N 3.16Å; E177-H179 PolarHBondContact O-N 2.99Å; H179-G181 PolarHBondContact O-N 3.4Å; H179-M182 HydrophobicContact CB-CB 4.47Å; H179-M182 WeakPolarHBondContact O-CB 3.44Å; H179-M182 PolarHBondContact O-N 2.9Å |
| 180 | K | 94.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 49 Ų | 49 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 125.5 | -177.3 | -175.3 | 171.5 | -174.6 | 167.3 | 0 | 112.7 | D136 E177 | D136-K180 HydrophobicContact CB-CG 4.41Å; E177-K180 WeakPolarHBondContact O-CB 3.49Å; E177-K180 PolarHBondContact O-N 3.41Å |
| 181 | G | 91.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | -17.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D136 H179 M183 R320 | D136-G181 VanDerWaalsContact CG-N 3.33Å; D136-G181 PolarHBondContact OD1-N 2.91Å; D136-G181 PolarHBondContact OD2-N 3.49Å; H179-G181 PolarHBondContact O-N 3.4Å; G181-M183 PolarHBondContact O-N 2.85Å; G181-R320 PolarHBondContact O-NH1 2.89Å |
| 182 | M | 94.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 20% | 0.202 | 20% | 0.199 | C | C | . | . | trans | -71.5 | 127.7 | -177.3 | -170.6 | 172.8 | -64.7 | 0 | 0 | 111.7 | Y128 Q131 H179 E186 S187 E190 | Y128-M182 HydrophobicContact CD1-SD 4.05Å; Y128-M182 HydrophobicContact CE1-CE 3.94Å; Y128-M182 HydrophobicContact CE1-SD 3.82Å; Q131-M182 HydrophobicContact CG-CB 4.29Å; Q131-M182 PolarHBondContact NE2-O 2.91Å; H179-M182 HydrophobicContact CB-CB 4.47Å; H179-M182 WeakPolarHBondContact O-CB 3.44Å; H179-M182 PolarHBondContact O-N 2.9Å; M182-E186 HydrophobicContact CG-CB 4.14Å; M182-S187 VanDerWaalsContact SD-CA 3.55Å; M182-E190 HydrophobicContact CE-CG 4.34Å; M182-E190 HydrophobicContact SD-CG 4.25Å | ||
| 183 | M | 92.5 | Very high | 96.3 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | -67.9 | 153.3 | 174.1 | -60.2 | -166 | -47 | 0 | 0 | 111.1 | G181 E185 E186 S187 K317 | G181-M183 PolarHBondContact O-N 2.85Å; M183-E185 VanDerWaalsContact C-N 3.29Å; M183-E185 PolarHBondContact O-N 3.27Å; M183-E186 HydrophobicContact CB-CB 4.42Å; M183-E186 HydrophobicContact CB-CG 4.2Å; M183-E186 HydrophobicContact CE-CG 4Å; M183-E186 PolarHBondContact O-N 3.05Å; M183-E186 VanDerWaalsContact O-N 3.11Å; M183-S187 PolarHBondContact O-N 3.35Å; M183-K317 HydrophobicContact CE-CD 4.43Å; M183-K317 HydrophobicContact CE-CG 3.98Å; M183-K317 HydrophobicContact SD-CG 4.06Å | ||
| 184 | R | 94.9 | Very high | 96.4 | Very high | 127 Ų | 127 | 40.9 Ų | 40.9 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -54 | -45.6 | -179.2 | -178 | 178.6 | -166.3 | -165.7 | 2 | 112.5 | A132 S187 M188 | A132-R184 WeakPolarHBondContact O-CG 3.28Å; A132-R184 PolarHBondContact O-NE 3.44Å; R184-S187 PolarHBondContact O-N 2.9Å; R184-M188 HydrophobicContact CG-CE 4.37Å; R184-M188 WeakPolarHBondContact O-CG 3.47Å; R184-M188 PolarHBondContact O-N 2.68Å |
| 185 | E | 94.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 37 Ų | 37 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | -179.4 | -63.5 | 65.5 | -144 | 0 | 0 | 111.1 | D96 M183 M188 M189 | D96-E185 HydrophobicContact CB-CG 4.15Å; M183-E185 VanDerWaalsContact C-N 3.29Å; M183-E185 PolarHBondContact O-N 3.27Å; E185-M188 HydrophobicContact CG-CE 4.32Å; E185-M188 PolarHBondContact O-N 3.41Å; E185-M189 PolarHBondContact O-N 3.08Å |
| 186 | E | 95.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -37.3 | 176.3 | -59.9 | -170.3 | 136 | 0 | 0 | 110.8 | M182 M183 M189 E190 K313 K317 | M182-E186 HydrophobicContact CG-CB 4.14Å; M183-E186 HydrophobicContact CB-CB 4.42Å; M183-E186 HydrophobicContact CB-CG 4.2Å; M183-E186 HydrophobicContact CE-CG 4Å; M183-E186 PolarHBondContact O-N 3.05Å; M183-E186 VanDerWaalsContact O-N 3.11Å; E186-M189 WeakPolarHBondContact O-CB 3.27Å; E186-M189 PolarHBondContact O-N 2.96Å; E186-E190 WeakPolarHBondContact O-CG 3.46Å; E186-E190 PolarHBondContact O-N 3.48Å; E186-K313 WeakPolarHBondContact OE1-CE 3.4Å; E186-K313 IonicContact OE1-NZ 2.73Å; E186-K313 PolarHBondContact OE1-NZ 3.3Å; E186-K317 VanDerWaalsContact CD-NZ 3.28Å; E186-K317 VanDerWaalsContact OE1-CE 3.26Å; E186-K317 WeakPolarHBondContact OE1-CE 3.43Å; E186-K317 IonicContact OE1-NZ 3.76Å; E186-K317 PolarHBondContact OE1-NZ 2.86Å; E186-K317 IonicContact OE2-NZ 3.07Å; E186-K317 PolarHBondContact OE2-NZ 2.92Å |
| 187 | S | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 174.2 | -163.3 | 0 | 0 | 0 | 0 | 113.3 | Y128 Q131 M182 M183 R184 M189 Y191 | Y128-S187 PolarHBondContact O-OG 3.45Å; Q131-S187 WeakPolarHBondContact CB-OG 3.33Å; M182-S187 VanDerWaalsContact SD-CA 3.55Å; M183-S187 PolarHBondContact O-N 3.35Å; R184-S187 PolarHBondContact O-N 2.9Å; S187-M189 VanDerWaalsContact C-N 3.3Å; S187-M189 PolarHBondContact O-N 2.82Å; S187-Y191 WeakPolarHBondContact O-CB 3.38Å; S187-Y191 PolarHBondContact O-N 3.09Å; S187-Y191 VanDerWaalsContact O-N 3.07Å |
| 188 | M | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | 171.3 | -68.6 | -172.4 | -61.2 | 0 | 0 | 112.3 | R100 F103 A132 R184 E185 L192 | R100-M188 HydrophobicContact CB-CE 4.01Å; R100-M188 HydrophobicContact CB-SD 3.96Å; R100-M188 HydrophobicContact CG-CE 4.36Å; R100-M188 HydrophobicContact CG-SD 3.89Å; F103-M188 HydrophobicContact CB-CB 3.98Å; F103-M188 HydrophobicContact CB-CG 4.18Å; F103-M188 HydrophobicContact CB-SD 4.36Å; F103-M188 HydrophobicContact CD1-CB 4.28Å; F103-M188 HydrophobicContact CD1-CG 3.56Å; F103-M188 HydrophobicContact CD1-SD 3.54Å; F103-M188 VanDerWaalsContact CD1-SD 3.54Å; F103-M188 HydrophobicContact CD2-CB 4.14Å; F103-M188 HydrophobicContact CD2-CG 4.06Å; F103-M188 HydrophobicContact CE1-CG 3.88Å; F103-M188 HydrophobicContact CE1-SD 4.07Å; F103-M188 HydrophobicContact CE2-CG 4.34Å; F103-M188 HydrophobicContact CG-CB 3.88Å; F103-M188 HydrophobicContact CG-CG 3.66Å; F103-M188 HydrophobicContact CG-SD 4.08Å; F103-M188 HydrophobicContact CZ-CG 4.26Å; A132-M188 HydrophobicContact CB-CG 3.75Å; R184-M188 HydrophobicContact CG-CE 4.37Å; R184-M188 WeakPolarHBondContact O-CG 3.47Å; R184-M188 PolarHBondContact O-N 2.68Å; E185-M188 HydrophobicContact CG-CE 4.32Å; E185-M188 PolarHBondContact O-N 3.41Å; M188-L192 WeakPolarHBondContact O-CG 3.3Å; M188-L192 PolarHBondContact O-N 2.98Å |
| 189 | M | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 9% | 0.094 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.3 | -46.5 | 175.6 | -178.5 | 57 | 69.1 | 0 | 0 | 112.3 | V89 L93 Q99 E185 E186 S187 Y191 L192 K193 | V89-M189 HydrophobicContact CB-SD 4.26Å; V89-M189 HydrophobicContact CG2-SD 3.86Å; V89-M189 WeakPolarHBondContact O-CE 3.39Å; L93-M189 HydrophobicContact CB-CE 4.38Å; Q99-M189 HydrophobicContact CG-CE 3.86Å; E185-M189 PolarHBondContact O-N 3.08Å; E186-M189 WeakPolarHBondContact O-CB 3.27Å; E186-M189 PolarHBondContact O-N 2.96Å; S187-M189 VanDerWaalsContact C-N 3.3Å; S187-M189 PolarHBondContact O-N 2.82Å; M189-Y191 VanDerWaalsContact C-N 3.31Å; M189-Y191 PolarHBondContact O-N 3.27Å; M189-L192 PolarHBondContact O-N 2.84Å; M189-K193 WeakPolarHBondContact O-CG 3.31Å; M189-K193 PolarHBondContact O-N 3.02Å; M189-K193 HydrophobicContact SD-CG 4.47Å |
| 190 | E | 98.2 | Very high | 96.9 | Very high | 39 Ų | 39 | 30.4 Ų | 30.4 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.8 | -61.9 | -46.3 | 126.6 | 0 | 0 | 111.8 | Y128 M182 E186 L192 K193 I194 | Y128-E190 HydrophobicContact CD1-CB 4.02Å; Y128-E190 HydrophobicContact CE1-CB 3.66Å; Y128-E190 HydrophobicContact CE1-CG 4.26Å; M182-E190 HydrophobicContact CE-CG 4.34Å; M182-E190 HydrophobicContact SD-CG 4.25Å; E186-E190 WeakPolarHBondContact O-CG 3.46Å; E186-E190 PolarHBondContact O-N 3.48Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.41Å; E190-K193 VanDerWaalsContact CD-NZ 3.3Å; E190-K193 PolarHBondContact O-N 2.68Å; E190-K193 WeakPolarHBondContact OE1-CE 3.35Å; E190-K193 IonicContact OE1-NZ 3.38Å; E190-K193 PolarHBondContact OE1-NZ 2.82Å; E190-K193 WeakPolarHBondContact OE2-CD 3.27Å; E190-K193 IonicContact OE2-NZ 3.49Å; E190-K193 PolarHBondContact OE2-NZ 3.06Å; E190-K193 VanDerWaalsContact OE2-NZ 3.1Å; E190-I194 WeakPolarHBondContact O-CG1 3.46Å; E190-I194 PolarHBondContact O-N 2.92Å; E190-I194 VanDerWaalsContact O-N 3.14Å |
| 191 | Y | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.5 | -48 | 169.6 | -174.2 | -72.6 | 0 | 0 | 0 | 111.4 | F103 V106 K107 I110 L125 A129 S187 M189 I194 A195 | F103-Y191 AromaticContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD2 4.13Å; F103-Y191 HydrophobicContact CD2-CE1 4.34Å; F103-Y191 AromaticContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CE2-CD1 4.05Å; F103-Y191 AromaticContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CE2 4.14Å; F103-Y191 AromaticContact CE2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CG 3.61Å; V106-Y191 HydrophobicContact CG1-CE1 4.22Å; K107-Y191 WeakPolarHBondContact CA-OH 3.18Å; K107-Y191 HydrophobicContact CB-CE1 4.28Å; K107-Y191 HydrophobicContact CG-CE2 4.31Å; I110-Y191 HydrophobicContact CD1-CE1 4.4Å; L125-Y191 HydrophobicContact CB-CD2 4.01Å; L125-Y191 HydrophobicContact CB-CE2 3.55Å; L125-Y191 HydrophobicContact CD2-CD1 4.02Å; L125-Y191 HydrophobicContact CD2-CD2 3.68Å; L125-Y191 HydrophobicContact CD2-CE1 4.16Å; L125-Y191 HydrophobicContact CD2-CE2 3.87Å; L125-Y191 HydrophobicContact CD2-CG 3.73Å; L125-Y191 WeakPolarHBondContact CD2-O 3.38Å; L125-Y191 HydrophobicContact CG-CD2 4.42Å; L125-Y191 HydrophobicContact CG-CE2 4.18Å; L125-Y191 VanDerWaalsContact O-CD2 3.22Å; L125-Y191 WeakPolarHBondContact O-CD2 3.46Å; L125-Y191 WeakPolarHBondContact O-CE2 3.44Å; A129-Y191 HydrophobicContact CB-CD2 4.28Å; A129-Y191 HydrophobicContact CB-CE2 4.1Å; S187-Y191 WeakPolarHBondContact O-CB 3.38Å; S187-Y191 PolarHBondContact O-N 3.09Å; S187-Y191 VanDerWaalsContact O-N 3.07Å; M189-Y191 VanDerWaalsContact C-N 3.31Å; M189-Y191 PolarHBondContact O-N 3.27Å; Y191-I194 PolarHBondContact O-N 2.89Å; Y191-A195 HydrophobicContact CD1-CB 4.38Å; Y191-A195 HydrophobicContact CE1-CB 4.26Å; Y191-A195 VanDerWaalsContact O-CB 3.26Å; Y191-A195 WeakPolarHBondContact O-CB 3.25Å; Y191-A195 PolarHBondContact O-N 2.73Å |
| 192 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | -178.6 | -77.8 | 172.9 | 0 | 0 | 0 | 113.1 | V89 L93 F102 F103 V106 M188 M189 E190 I194 A195 Q196 | V89-L192 HydrophobicContact CB-CB 4.23Å; V89-L192 HydrophobicContact CG1-CB 4.16Å; V89-L192 HydrophobicContact CG2-CB 4.05Å; L93-L192 HydrophobicContact CD1-CD1 3.97Å; F102-L192 HydrophobicContact CB-CD1 3.92Å; F102-L192 HydrophobicContact CB-CD2 4.24Å; F103-L192 HydrophobicContact CB-CD1 4.18Å; F103-L192 HydrophobicContact CB-CG 4.28Å; V106-L192 HydrophobicContact CB-CD2 4.09Å; V106-L192 HydrophobicContact CG1-CD2 4.44Å; V106-L192 HydrophobicContact CG2-CD2 3.86Å; M188-L192 WeakPolarHBondContact O-CG 3.3Å; M188-L192 PolarHBondContact O-N 2.98Å; M189-L192 PolarHBondContact O-N 2.84Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.41Å; L192-I194 VanDerWaalsContact C-N 3.35Å; L192-A195 PolarHBondContact O-N 3.23Å; L192-Q196 WeakPolarHBondContact O-CB 3.5Å; L192-Q196 WeakPolarHBondContact O-CG 3.36Å; L192-Q196 PolarHBondContact O-N 3.31Å |
| 193 | K | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 14% | 0.135 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.9 | -75.4 | 175.8 | 177.6 | 175 | 0 | 112.7 | V89 M189 E190 Q196 E513 | V89-K193 HydrophobicContact CG2-CG 3.97Å; M189-K193 WeakPolarHBondContact O-CG 3.31Å; M189-K193 PolarHBondContact O-N 3.02Å; M189-K193 HydrophobicContact SD-CG 4.47Å; E190-K193 VanDerWaalsContact CD-NZ 3.3Å; E190-K193 PolarHBondContact O-N 2.68Å; E190-K193 WeakPolarHBondContact OE1-CE 3.35Å; E190-K193 IonicContact OE1-NZ 3.38Å; E190-K193 PolarHBondContact OE1-NZ 2.82Å; E190-K193 WeakPolarHBondContact OE2-CD 3.27Å; E190-K193 IonicContact OE2-NZ 3.49Å; E190-K193 PolarHBondContact OE2-NZ 3.06Å; E190-K193 VanDerWaalsContact OE2-NZ 3.1Å; K193-Q196 VanDerWaalsContact O-CG 3.23Å; K193-Q196 WeakPolarHBondContact O-CG 3.31Å; K193-E513 HydrophobicContact CB-CG 4.4Å |
| 194 | I | 98.5 | Very high | 97.7 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 6% | 0.062 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.9 | -42.5 | 176.2 | -64.9 | 166.2 | 0 | 0 | 0 | 109.8 | T121 L124 L125 Y128 E190 Y191 L192 Q196 L520 | T121-I194 HydrophobicContact CG2-CG2 3.55Å; L124-I194 HydrophobicContact CD2-CD1 4.09Å; L124-I194 HydrophobicContact CG-CD1 4.44Å; L125-I194 HydrophobicContact CD2-CB 3.88Å; L125-I194 HydrophobicContact CD2-CG2 3.81Å; L125-I194 HydrophobicContact CG-CG2 4.14Å; Y128-I194 HydrophobicContact CD2-CD1 4Å; Y128-I194 HydrophobicContact CE2-CD1 3.45Å; Y128-I194 VanDerWaalsContact CE2-CD1 3.45Å; E190-I194 WeakPolarHBondContact O-CG1 3.46Å; E190-I194 PolarHBondContact O-N 2.92Å; E190-I194 VanDerWaalsContact O-N 3.14Å; Y191-I194 PolarHBondContact O-N 2.89Å; L192-I194 VanDerWaalsContact C-N 3.35Å; I194-Q196 PolarHBondContact O-N 2.7Å; I194-L520 HydrophobicContact CD1-CD1 3.75Å; I194-L520 HydrophobicContact CD1-CD2 4.41Å; I194-L520 HydrophobicContact CG1-CD1 4.06Å; I194-L520 HydrophobicContact CG1-CD2 3.87Å |
| 195 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.1 | -29.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | V106 I110 Y191 L192 D197 L198 Y201 | V106-A195 HydrophobicContact CG1-CB 3.68Å; I110-A195 HydrophobicContact CD1-CB 4.07Å; Y191-A195 HydrophobicContact CD1-CB 4.38Å; Y191-A195 HydrophobicContact CE1-CB 4.26Å; Y191-A195 VanDerWaalsContact O-CB 3.26Å; Y191-A195 WeakPolarHBondContact O-CB 3.25Å; Y191-A195 PolarHBondContact O-N 2.73Å; L192-A195 PolarHBondContact O-N 3.23Å; A195-D197 PolarHBondContact O-N 2.9Å; A195-L198 WeakPolarHBondContact O-CB 3.36Å; A195-L198 PolarHBondContact O-N 3.35Å; A195-Y201 HydrophobicContact CB-CD2 4.45Å; A195-Y201 WeakPolarHBondContact O-CB 3.49Å; A195-Y201 VanDerWaalsContact O-CD2 3.23Å; A195-Y201 WeakPolarHBondContact O-CD2 3.43Å |
| 196 | Q | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.014 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24 | -180 | 64.9 | 174.3 | -7.7 | 0 | 0 | 113.8 | D88 V89 L192 K193 I194 Y201 K557 | D88-Q196 PolarHBondContact OD1-NE2 2.84Å; D88-Q196 PolarHBondContact OD2-NE2 3.26Å; V89-Q196 HydrophobicContact CG1-CB 4.31Å; V89-Q196 HydrophobicContact CG2-CG 4.48Å; L192-Q196 WeakPolarHBondContact O-CB 3.5Å; L192-Q196 WeakPolarHBondContact O-CG 3.36Å; L192-Q196 PolarHBondContact O-N 3.31Å; K193-Q196 VanDerWaalsContact O-CG 3.23Å; K193-Q196 WeakPolarHBondContact O-CG 3.31Å; I194-Q196 PolarHBondContact O-N 2.7Å; Q196-Y201 HydrophobicContact CB-CD1 4.02Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.27Å; Q196-Y201 HydrophobicContact CB-CG 4.49Å; Q196-K557 PolarHBondContact O-NZ 3Å |
| 197 | D | 98.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 11% | 0.107 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.6 | -178.9 | -68.4 | -14.5 | 0 | 0 | 0 | 113.6 | A195 T512 E513 K557 Y558 | A195-D197 PolarHBondContact O-N 2.9Å; D197-T512 HydrophobicContact CB-CG2 4.14Å; D197-T512 WeakPolarHBondContact OD2-CA 3.44Å; D197-T512 WeakPolarHBondContact OD2-CB 3.22Å; D197-E513 PolarHBondContact OD2-N 2.97Å; D197-K557 WeakPolarHBondContact O-CB 3.24Å; D197-K557 VanDerWaalsContact O-CD 3.32Å; D197-K557 WeakPolarHBondContact O-CD 3.28Å; D197-Y558 WeakPolarHBondContact OD1-CE2 3.37Å; D197-Y558 PolarHBondContact OD1-OH 3.41Å |
| 198 | L | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -61.7 | 138.1 | 175.2 | -62.9 | 173.9 | 0 | 0 | 0 | 110.8 | I110 I115 C117 T121 A195 M200 Y201 K557 | I110-L198 HydrophobicContact CD1-CD1 3.73Å; I110-L198 HydrophobicContact CG1-CD1 4.29Å; I115-L198 HydrophobicContact CG2-CB 4.21Å; I115-L198 HydrophobicContact CG2-CD1 3.91Å; C117-L198 HydrophobicContact CB-CD1 4.09Å; T121-L198 HydrophobicContact CG2-CD2 4.35Å; A195-L198 WeakPolarHBondContact O-CB 3.36Å; A195-L198 PolarHBondContact O-N 3.35Å; L198-M200 PolarHBondContact O-N 2.94Å; L198-M200 VanDerWaalsContact O-N 3.12Å; L198-Y201 WeakPolarHBondContact O-CB 3.36Å; L198-Y201 PolarHBondContact O-N 2.84Å; L198-K557 PolarHBondContact O-NZ 3.47Å |
| 199 | E | 98.1 | Very high | 98.1 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33.5 | -169.9 | -59.8 | 97.5 | 129.1 | 0 | 0 | 113 | M234 H547 | E199-M234 HydrophobicContact CB-CB 3.84Å; E199-M234 HydrophobicContact CB-CG 4.4Å; E199-M234 HydrophobicContact CG-CB 4.22Å; E199-H547 IonicContact OE1-CE1 2.72Å; E199-H547 IonicContact OE1-CG 2.86Å; E199-H547 IonicContact OE1-ND1 3.23Å; E199-H547 PolarHBondContact OE1-ND1 3.41Å; E199-H547 IonicContact OE2-ND1 3.19Å |
| 200 | M | 98.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 22 Ų | 22 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.8 | -179.6 | -57.8 | -173.4 | 61.3 | 0 | 0 | 114.2 | D114 I115 L198 G202 V203 Y205 K233 M234 | D114-M200 WeakPolarHBondContact O-CE 3.43Å; I115-M200 HydrophobicContact CG2-CB 4.24Å; L198-M200 PolarHBondContact O-N 2.94Å; L198-M200 VanDerWaalsContact O-N 3.12Å; M200-G202 PolarHBondContact O-N 3.32Å; M200-V203 PolarHBondContact O-N 3.09Å; M200-Y205 HydrophobicContact CE-CE2 3.97Å; M200-Y205 WeakPolarHBondContact CG-OH 3.34Å; M200-K233 HydrophobicContact CE-CB 4.44Å; M200-K233 HydrophobicContact CE-CD 4.36Å; M200-M234 HydrophobicContact CG-CG 3.91Å; M200-M234 HydrophobicContact CG-SD 4.49Å; M200-M234 HydrophobicContact SD-CG 4.09Å; M200-M234 HydrophobicContact SD-SD 4.36Å |
| 201 | Y | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 127.7 | -177 | 173 | -80.5 | 0 | 0 | 0 | 111.9 | F85 V89 V106 A195 Q196 L198 V203 K557 | F85-Y201 AromaticContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE2 4.23Å; F85-Y201 AromaticContact CD1-CZ 3.67Å; F85-Y201 HydrophobicContact CE1-CE2 4.24Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.35Å; V106-Y201 HydrophobicContact CG1-CD2 4.08Å; V106-Y201 HydrophobicContact CG1-CE2 3.99Å; V106-Y201 HydrophobicContact CG2-CD2 4.34Å; V106-Y201 HydrophobicContact CG2-CE2 3.69Å; A195-Y201 HydrophobicContact CB-CD2 4.45Å; A195-Y201 WeakPolarHBondContact O-CB 3.49Å; A195-Y201 VanDerWaalsContact O-CD2 3.23Å; A195-Y201 WeakPolarHBondContact O-CD2 3.43Å; Q196-Y201 HydrophobicContact CB-CD1 4.02Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.27Å; Q196-Y201 HydrophobicContact CB-CG 4.49Å; L198-Y201 WeakPolarHBondContact O-CB 3.36Å; L198-Y201 PolarHBondContact O-N 2.84Å; Y201-V203 PolarHBondContact O-N 3.21Å; Y201-K557 PolarHBondContact O-NZ 3.27Å; Y201-K557 VanDerWaalsContact O-NZ 3.09Å |
| 202 | G | 97.1 | Very high | 97.8 | Very high | 11 Ų | 11 | 32 Ų | 32 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -7.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | M200 | M200-G202 PolarHBondContact O-N 3.32Š|
| 203 | V | 98.2 | Very high | 97.6 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | trans | -84 | 119.8 | -170.2 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | M200 Y201 Y205 D221 Y228 | M200-V203 PolarHBondContact O-N 3.09Å; Y201-V203 PolarHBondContact O-N 3.21Å; V203-Y205 HydrophobicContact CB-CD2 4.33Å; V203-Y205 HydrophobicContact CB-CE2 3.67Å; V203-Y205 HydrophobicContact CG1-CD1 4.13Å; V203-Y205 HydrophobicContact CG1-CD2 4.05Å; V203-Y205 HydrophobicContact CG1-CE1 3.77Å; V203-Y205 HydrophobicContact CG1-CE2 3.66Å; V203-Y205 HydrophobicContact CG1-CG 4.27Å; V203-Y205 WeakPolarHBondContact O-CD2 3.35Å; V203-D221 HydrophobicContact CG2-CB 4.37Å; V203-Y228 HydrophobicContact CG1-CE2 4.44Å | ||
| 204 | N | 97.5 | Very high | 97.6 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 103.2 | 171.7 | -75.2 | -109.3 | 0 | 0 | 0 | 110.2 | F206 V220 L283 | N204-F206 HydrophobicContact CB-CE2 3.81Å; N204-F206 HydrophobicContact CB-CZ 4.28Å; N204-F206 VanDerWaalsContact O-CD2 3.31Å; N204-F206 WeakPolarHBondContact O-CD2 3.45Å; N204-F206 WeakPolarHBondContact O-CE2 3.4Å; N204-V220 HydrophobicContact CB-CB 4.35Å; N204-V220 WeakPolarHBondContact CB-O 3.31Å; N204-V220 PolarHBondContact N-O 3Å; N204-V220 PolarHBondContact O-N 2.73Å; N204-L283 HydrophobicContact CB-CD1 3.95Å |
| 205 | Y | 97.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.7 | -178.7 | -61.4 | -90.4 | 0 | 0 | 0 | 113.8 | M200 V203 F217 L218 Y228 K233 | M200-Y205 HydrophobicContact CE-CE2 3.97Å; M200-Y205 WeakPolarHBondContact CG-OH 3.34Å; V203-Y205 HydrophobicContact CB-CD2 4.33Å; V203-Y205 HydrophobicContact CB-CE2 3.67Å; V203-Y205 HydrophobicContact CG1-CD1 4.13Å; V203-Y205 HydrophobicContact CG1-CD2 4.05Å; V203-Y205 HydrophobicContact CG1-CE1 3.77Å; V203-Y205 HydrophobicContact CG1-CE2 3.66Å; V203-Y205 HydrophobicContact CG1-CG 4.27Å; V203-Y205 WeakPolarHBondContact O-CD2 3.35Å; Y205-F217 HydrophobicContact CD1-CB 4.23Å; Y205-F217 HydrophobicContact CD1-CG 4.47Å; Y205-L218 CarbonylContact C-O 3.58Å; Y205-L218 WeakPolarHBondContact CA-O 3.06Å; Y205-Y228 HydrophobicContact CD1-CE2 4.48Å; Y205-Y228 HydrophobicContact CE1-CD1 4.38Å; Y205-Y228 HydrophobicContact CE1-CD2 4.28Å; Y205-Y228 HydrophobicContact CE1-CE1 4.08Å; Y205-Y228 HydrophobicContact CE1-CE2 4.02Å; Y205-Y228 HydrophobicContact CE1-CG 4.49Å; Y205-Y228 AromaticContact CE1-CZ 3.92Å; Y205-K233 HydrophobicContact CD1-CB 4.41Å; Y205-K233 HydrophobicContact CD1-CD 4.29Å; Y205-K233 HydrophobicContact CD1-CG 4.19Å; Y205-K233 HydrophobicContact CE1-CB 3.75Å; Y205-K233 HydrophobicContact CE1-CD 4.35Å; Y205-K233 HydrophobicContact CE1-CG 4.04Å; Y205-K233 WeakPolarHBondContact CE1-O 3.23Å; Y205-K233 HydrophobicContact CG-CD 4.5Å; Y205-K233 PolarHBondContact OH-O 3.33Å |
| 206 | F | 97.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 129.6 | 174.9 | -60.6 | -80.7 | 0 | 0 | 0 | 111.9 | N204 I208 F217 L218 V220 I276 R279 I280 L283 | N204-F206 HydrophobicContact CB-CE2 3.81Å; N204-F206 HydrophobicContact CB-CZ 4.28Å; N204-F206 VanDerWaalsContact O-CD2 3.31Å; N204-F206 WeakPolarHBondContact O-CD2 3.45Å; N204-F206 WeakPolarHBondContact O-CE2 3.4Å; F206-I208 PolarHBondContact O-N 3.26Å; F206-F217 WeakPolarHBondContact O-CA 3.27Å; F206-L218 PolarHBondContact N-O 3.46Å; F206-L218 PolarHBondContact O-N 2.76Å; F206-V220 HydrophobicContact CD2-CG2 4.12Å; F206-V220 HydrophobicContact CE2-CG2 4.04Å; F206-I276 HydrophobicContact CB-CG2 4.44Å; F206-I276 HydrophobicContact CD1-CG2 3.73Å; F206-I276 HydrophobicContact CE1-CG2 4.43Å; F206-I276 HydrophobicContact CG-CG2 4.38Å; F206-R279 HydrophobicContact CE1-CB 4.29Å; F206-I280 HydrophobicContact CB-CD1 4.04Å; F206-I280 HydrophobicContact CB-CG1 4.36Å; F206-I280 HydrophobicContact CD1-CD1 4.37Å; F206-I280 HydrophobicContact CD1-CG1 3.98Å; F206-I280 HydrophobicContact CD2-CD1 4.27Å; F206-I280 HydrophobicContact CD2-CG1 3.71Å; F206-I280 HydrophobicContact CE1-CG1 4.18Å; F206-I280 HydrophobicContact CE2-CG1 3.92Å; F206-I280 HydrophobicContact CG-CD1 3.96Å; F206-I280 HydrophobicContact CG-CG1 3.73Å; F206-I280 HydrophobicContact CZ-CG1 4.16Å; F206-L283 HydrophobicContact CE2-CD1 3.87Å; F206-L283 HydrophobicContact CZ-CD1 3.58Å |
| 207 | N | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 122.4 | 168.7 | -69 | -27.3 | 0 | 0 | 0 | 110 | F217 Q230 P272 | N207-F217 WeakPolarHBondContact OD1-CD1 3.45Å; N207-F217 WeakPolarHBondContact OD1-CE1 3.39Å; N207-Q230 PolarHBondContact OD1-NE2 3.04Å; N207-P272 WeakPolarHBondContact O-CD 3.33Å |
| 208 | I | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 171.3 | 175.9 | 61.2 | 154.5 | 0 | 0 | 0 | 110.6 | F206 L216 L218 I227 F269 Y270 F576 | F206-I208 PolarHBondContact O-N 3.26Å; I208-L216 HydrophobicContact CG1-CB 4.18Å; I208-L216 WeakPolarHBondContact CG1-O 3.21Å; I208-L216 PolarHBondContact N-O 2.72Å; I208-L216 PolarHBondContact O-N 2.79Å; I208-L216 VanDerWaalsContact O-N 3.15Å; I208-L218 HydrophobicContact CD1-CB 3.95Å; I208-L218 HydrophobicContact CG1-CB 4.11Å; I208-L218 HydrophobicContact CG2-CB 3.95Å; I208-I227 HydrophobicContact CD1-CD1 4.29Å; I208-F269 HydrophobicContact CB-CB 4.46Å; I208-F269 HydrophobicContact CB-CD2 3.86Å; I208-F269 HydrophobicContact CB-CG 4.4Å; I208-F269 HydrophobicContact CD1-CB 3.88Å; I208-F269 HydrophobicContact CD1-CD1 4.47Å; I208-F269 HydrophobicContact CD1-CD2 4.19Å; I208-F269 HydrophobicContact CD1-CG 3.95Å; I208-F269 HydrophobicContact CG2-CD2 3.48Å; I208-F269 VanDerWaalsContact CG2-CD2 3.48Å; I208-F269 HydrophobicContact CG2-CE2 3.66Å; I208-F269 HydrophobicContact CG2-CG 4.35Å; I208-Y270 CarbonylContact C-O 3.52Å; I208-Y270 WeakPolarHBondContact CA-O 3.46Å; I208-F576 HydrophobicContact CD1-CE2 4.02Å; I208-F576 HydrophobicContact CD1-CZ 4.24Å |
| 209 | K | 98.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 38 Ų | 38 | 34% | 0.335 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.1 | 167.3 | -69.4 | 175.2 | 176.3 | -87.4 | 0 | 111.3 | G213 T214 E215 F269 Y270 | K209-G213 WeakPolarHBondContact CD-O 3.39Å; K209-G213 WeakPolarHBondContact CG-O 3.22Å; K209-G213 PolarHBondContact NZ-O 2.9Å; K209-T214 VanDerWaalsContact CA-O 3.27Å; K209-T214 WeakPolarHBondContact CA-O 3.24Å; K209-E215 WeakPolarHBondContact CE-OE1 3.33Å; K209-E215 HydrophobicContact CG-CG 4.24Å; K209-E215 IonicContact NZ-OE1 3.65Å; K209-E215 PolarHBondContact NZ-OE1 2.89Å; K209-F269 CarbonylContact O-C 3.6Å; K209-F269 WeakPolarHBondContact O-CA 3.49Å; K209-F269 WeakPolarHBondContact O-CB 3.36Å; K209-Y270 PolarHBondContact N-O 3.35Å; K209-Y270 PolarHBondContact O-N 3.35Å |
| 210 | N | 97.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | trans | -78 | -172.4 | 166.9 | 71.4 | 3.6 | 0 | 0 | 0 | 111.1 | K212 G213 T214 L216 F576 M579 | N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.84Å; N210-K212 WeakPolarHBondContact OD1-CB 3.42Å; N210-K212 PolarHBondContact OD1-N 2.91Å; N210-K212 VanDerWaalsContact OD1-N 3.08Å; N210-G213 PolarHBondContact O-N 2.91Å; N210-G213 PolarHBondContact OD1-N 2.88Å; N210-T214 PolarHBondContact OD1-N 3.15Å; N210-T214 VanDerWaalsContact OD1-N 3.16Å; N210-L216 HydrophobicContact CB-CD1 4.49Å; N210-F576 HydrophobicContact CB-CD1 4.04Å; N210-F576 HydrophobicContact CB-CE1 3.36Å; N210-F576 HydrophobicContact CB-CE2 4.1Å; N210-F576 HydrophobicContact CB-CZ 3.4Å; N210-F576 VanDerWaalsContact CB-CZ 3.4Å; N210-F576 PolarHBondContact ND2-O 3.32Å; N210-M579 PolarHBondContact ND2-OXT 2.93Å | ||
| 211 | K | 95.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 36.6 Ų | 36.6 | 51% | 0.509 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -25.1 | -179.6 | -64.2 | 176.8 | -172.8 | 86 | 0 | 113.4 | Y270 E577 | K211-Y270 HydrophobicContact CG-CE2 4.18Å; K211-E577 VanDerWaalsContact CB-OE2 3.22Å; K211-E577 WeakPolarHBondContact CB-OE2 3.48Å; K211-E577 WeakPolarHBondContact CG-OE1 3.4Å; K211-E577 WeakPolarHBondContact CG-OE2 2.92Å; K211-E577 PolarHBondContact N-OE2 3.03Å; K211-E577 IonicContact NZ-OE1 3.26Å; K211-E577 PolarHBondContact NZ-OE1 2.98Å |
| 212 | K | 95.4 | Very high | 97.5 | Very high | 138 Ų | 138 | 36.4 Ų | 36.4 | 60% | 0.6 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.8 | 174.8 | -69.8 | 172 | 172.1 | 161.3 | 0 | 113 | N210 E577 C578 | N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.84Å; N210-K212 WeakPolarHBondContact OD1-CB 3.42Å; N210-K212 PolarHBondContact OD1-N 2.91Å; N210-K212 VanDerWaalsContact OD1-N 3.08Å; K212-E577 WeakPolarHBondContact CD-O 3.44Å; K212-E577 WeakPolarHBondContact CE-O 3.36Å; K212-E577 PolarHBondContact NZ-O 3.24Å; K212-C578 VanDerWaalsContact NZ-C 3.35Å; K212-C578 VanDerWaalsContact NZ-CA 3.32Å; K212-C578 PolarHBondContact NZ-O 3.01Å |
| 213 | G | 95.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | trans | 100.2 | 4.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K209 N210 E215 | K209-G213 WeakPolarHBondContact CD-O 3.39Å; K209-G213 WeakPolarHBondContact CG-O 3.22Å; K209-G213 PolarHBondContact NZ-O 2.9Å; N210-G213 PolarHBondContact O-N 2.91Å; N210-G213 PolarHBondContact OD1-N 2.88Å; G213-E215 PolarHBondContact O-N 2.79Å | ||
| 214 | T | 97.7 | Very high | 97.4 | Very high | 46 Ų | 46 | 35.8 Ų | 35.8 | 28% | 0.282 | 18% | 0.177 | S | C | . | . | trans | -53.4 | 133.3 | 174 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | K209 N210 L216 M579 | K209-T214 VanDerWaalsContact CA-O 3.27Å; K209-T214 WeakPolarHBondContact CA-O 3.24Å; N210-T214 PolarHBondContact OD1-N 3.15Å; N210-T214 VanDerWaalsContact OD1-N 3.16Å; T214-L216 HydrophobicContact CG2-CD2 4.1Å; T214-L216 HydrophobicContact CG2-CG 4.15Å; T214-M579 HydrophobicContact CG2-CB 4.48Å; T214-M579 VanDerWaalsContact CG2-O 3.28Å; T214-M579 WeakPolarHBondContact CG2-O 3.45Å; T214-M579 VanDerWaalsContact OG1-C 3.3Å; T214-M579 PolarHBondContact OG1-O 2.85Å; T214-M579 VanDerWaalsContact OG1-O 3.1Å; T214-M579 PolarHBondContact OG1-OXT 2.59Å | ||
| 215 | E | 97.9 | Very high | 97.5 | Very high | 107 Ų | 107 | 34 Ų | 34 | 50% | 0.5 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.5 | 178.9 | -64 | -166.7 | 172.3 | 0 | 0 | 110.5 | K209 G213 Q230 | K209-E215 WeakPolarHBondContact CE-OE1 3.33Å; K209-E215 HydrophobicContact CG-CG 4.24Å; K209-E215 IonicContact NZ-OE1 3.65Å; K209-E215 PolarHBondContact NZ-OE1 2.89Å; G213-E215 PolarHBondContact O-N 2.79Å; E215-Q230 HydrophobicContact CB-CG 4.32Å |
| 216 | L | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.3 | -172 | -61.6 | 170.7 | 0 | 0 | 0 | 109.3 | I208 N210 T214 I227 Y228 F576 M579 | I208-L216 HydrophobicContact CG1-CB 4.18Å; I208-L216 WeakPolarHBondContact CG1-O 3.21Å; I208-L216 PolarHBondContact N-O 2.72Å; I208-L216 PolarHBondContact O-N 2.79Å; I208-L216 VanDerWaalsContact O-N 3.15Å; N210-L216 HydrophobicContact CB-CD1 4.49Å; T214-L216 HydrophobicContact CG2-CD2 4.1Å; T214-L216 HydrophobicContact CG2-CG 4.15Å; L216-I227 HydrophobicContact CB-CG2 4.25Å; L216-I227 HydrophobicContact CD1-CG2 4.06Å; L216-Y228 WeakPolarHBondContact CA-O 3.48Å; L216-F576 HydrophobicContact CD1-CD2 4.08Å; L216-F576 HydrophobicContact CD1-CE2 3.66Å; L216-F576 HydrophobicContact CD1-CZ 4.46Å; L216-M579 HydrophobicContact CD1-CB 4.34Å; L216-M579 HydrophobicContact CD1-SD 4.16Å; L216-M579 HydrophobicContact CD2-CB 4.48Å; L216-M579 HydrophobicContact CD2-CE 3.71Å; L216-M579 HydrophobicContact CD2-SD 4.08Å |
| 217 | F | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.7 | 165.2 | -66.1 | -80.3 | 0 | 0 | 0 | 111 | Y205 F206 N207 I227 Y228 Q230 K233 | Y205-F217 HydrophobicContact CD1-CB 4.23Å; Y205-F217 HydrophobicContact CD1-CG 4.47Å; F206-F217 WeakPolarHBondContact O-CA 3.27Å; N207-F217 WeakPolarHBondContact OD1-CD1 3.45Å; N207-F217 WeakPolarHBondContact OD1-CE1 3.39Å; F217-I227 WeakPolarHBondContact O-CA 3.43Å; F217-Y228 HydrophobicContact CB-CD2 4.37Å; F217-Y228 PolarHBondContact N-O 2.86Å; F217-Y228 PolarHBondContact O-N 3.13Å; F217-Q230 HydrophobicContact CE2-CG 4.48Å; F217-K233 HydrophobicContact CD2-CG 4.05Å; F217-K233 HydrophobicContact CE2-CD 4.45Å; F217-K233 HydrophobicContact CE2-CG 3.99Å; F217-K233 HydrophobicContact CZ-CD 4.5Å |
| 218 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120.5 | 157.4 | 178.3 | 71.5 | 0 | 0 | 0 | 108.4 | Y205 F206 I208 V220 L225 I227 F269 I280 | Y205-L218 CarbonylContact C-O 3.58Å; Y205-L218 WeakPolarHBondContact CA-O 3.06Å; F206-L218 PolarHBondContact N-O 3.46Å; F206-L218 PolarHBondContact O-N 2.76Å; I208-L218 HydrophobicContact CD1-CB 3.95Å; I208-L218 HydrophobicContact CG1-CB 4.11Å; I208-L218 HydrophobicContact CG2-CB 3.95Å; L218-V220 HydrophobicContact CD2-CG2 3.95Å; L218-V220 HydrophobicContact CG-CG2 4.07Å; L218-L225 HydrophobicContact CD1-CB 4.29Å; L218-L225 HydrophobicContact CD1-CD2 4.28Å; L218-I227 HydrophobicContact CD1-CD1 3.7Å; L218-F269 HydrophobicContact CD2-CE1 3.98Å; L218-F269 HydrophobicContact CD2-CE2 4.08Å; L218-F269 HydrophobicContact CD2-CZ 3.5Å; L218-F269 VanDerWaalsContact CD2-CZ 3.5Å; L218-I280 HydrophobicContact CD2-CD1 4.17Å; L218-I280 HydrophobicContact CD2-CG2 3.91Å |
| 219 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N226 | G219-N226 PolarHBondContact N-O 3.02Å; G219-N226 PolarHBondContact O-N 2.94Å |
| 220 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.5 | 171.4 | -172 | 0 | 0 | 0 | 0 | 108.4 | N204 F206 L218 L225 W242 I280 L283 | N204-V220 HydrophobicContact CB-CB 4.35Å; N204-V220 WeakPolarHBondContact CB-O 3.31Å; N204-V220 PolarHBondContact N-O 3Å; N204-V220 PolarHBondContact O-N 2.73Å; F206-V220 HydrophobicContact CD2-CG2 4.12Å; F206-V220 HydrophobicContact CE2-CG2 4.04Å; L218-V220 HydrophobicContact CD2-CG2 3.95Å; L218-V220 HydrophobicContact CG-CG2 4.07Å; V220-L225 HydrophobicContact CB-CD2 4.16Å; V220-L225 HydrophobicContact CG1-CD2 3.93Å; V220-L225 HydrophobicContact CG2-CD2 3.78Å; V220-W242 HydrophobicContact CG1-CH2 4.08Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; V220-I280 HydrophobicContact CG2-CG2 4.39Å; V220-L283 HydrophobicContact CG1-CB 4.07Å |
| 221 | D | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | trans | -136.7 | -172.6 | -177.5 | 65.9 | 37.9 | 0 | 0 | 0 | 112 | V203 L223 G224 N226 W242 N287 | V203-D221 HydrophobicContact CG2-CB 4.37Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-L223 PolarHBondContact O-N 3.01Å; D221-L223 WeakPolarHBondContact OD1-CA 3.35Å; D221-L223 WeakPolarHBondContact OD1-CB 3.36Å; D221-L223 PolarHBondContact OD1-N 3.44Å; D221-G224 PolarHBondContact N-O 2.95Å; D221-G224 PolarHBondContact OD1-N 2.88Å; D221-N226 PolarHBondContact OD2-ND2 3.45Å; D221-W242 WeakPolarHBondContact O-CZ2 3.28Å; D221-W242 PolarHBondContact O-NE1 3.26Å; D221-N287 WeakPolarHBondContact O-CB 3.42Å; D221-N287 PolarHBondContact O-ND2 3.47Å | ||
| 222 | A | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 31 Ų | 31 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -72.9 | -19.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E87 W242 | E87-A222 HydrophobicContact CG-CB 3.89Å; A222-W242 VanDerWaalsContact O-CD1 3.32Å; A222-W242 PolarHBondContact O-NE1 2.92Å |
| 223 | L | 96.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -100.3 | -19.7 | -174.2 | -61.6 | 167.3 | 0 | 0 | 0 | 113 | E87 D221 E507 Y558 L561 R565 | E87-L223 HydrophobicContact CB-CD2 4.24Å; E87-L223 HydrophobicContact CG-CD2 3.77Å; E87-L223 HydrophobicContact CG-CG 4.45Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-L223 PolarHBondContact O-N 3.01Å; D221-L223 WeakPolarHBondContact OD1-CA 3.35Å; D221-L223 WeakPolarHBondContact OD1-CB 3.36Å; D221-L223 PolarHBondContact OD1-N 3.44Å; L223-E507 HydrophobicContact CD2-CB 3.98Å; L223-Y558 HydrophobicContact CD1-CE1 4.46Å; L223-L561 HydrophobicContact CD1-CD1 3.79Å; L223-R565 PolarHBondContact O-NH1 3.24Å; L223-R565 PolarHBondContact O-NH2 3.2Å |
| 224 | G | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | -145.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D221 F240 W242 | D221-G224 PolarHBondContact N-O 2.95Å; D221-G224 PolarHBondContact OD1-N 2.88Å; G224-F240 WeakPolarHBondContact CA-O 3.2Å; G224-W242 WeakPolarHBondContact O-CZ2 3.48Å |
| 225 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129 | 173.6 | -63.4 | 179.8 | 0 | 0 | 0 | 109.7 | L218 V220 G239 F240 W242 I245 I257 | L218-L225 HydrophobicContact CD1-CB 4.29Å; L218-L225 HydrophobicContact CD1-CD2 4.28Å; V220-L225 HydrophobicContact CB-CD2 4.16Å; V220-L225 HydrophobicContact CG1-CD2 3.93Å; V220-L225 HydrophobicContact CG2-CD2 3.78Å; L225-G239 WeakPolarHBondContact O-CA 3.49Å; L225-F240 PolarHBondContact N-O 2.96Å; L225-F240 PolarHBondContact O-N 2.89Å; L225-W242 HydrophobicContact CD1-CH2 4.41Å; L225-W242 HydrophobicContact CD1-CZ3 4.31Å; L225-W242 HydrophobicContact CD2-CH2 3.51Å; L225-W242 HydrophobicContact CD2-CZ2 4.12Å; L225-W242 HydrophobicContact CD2-CZ3 4.21Å; L225-W242 HydrophobicContact CG-CH2 3.77Å; L225-W242 HydrophobicContact CG-CZ2 4.43Å; L225-W242 HydrophobicContact CG-CZ3 4.01Å; L225-I245 HydrophobicContact CD1-CD1 3.69Å; L225-I245 HydrophobicContact CG-CD1 4.09Å; L225-I257 HydrophobicContact CD1-CD1 3.28Å |
| 226 | N | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144 | -180 | -45.7 | -44.6 | 0 | 0 | 0 | 110.1 | G219 D221 Y228 P236 I238 | G219-N226 PolarHBondContact N-O 3.02Å; G219-N226 PolarHBondContact O-N 2.94Å; D221-N226 PolarHBondContact OD2-ND2 3.45Å; N226-Y228 HydrophobicContact CB-CE2 3.67Å; N226-P236 HydrophobicContact CB-CB 3.88Å; N226-P236 HydrophobicContact CB-CG 4.49Å; N226-I238 CarbonylContact C-O 3.55Å; N226-I238 WeakPolarHBondContact CA-O 3.49Å |
| 227 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.3 | 176.8 | -48.4 | -59.9 | 0 | 0 | 0 | 109.7 | I208 L216 F217 L218 P236 K237 I238 F267 F576 M579 | I208-I227 HydrophobicContact CD1-CD1 4.29Å; L216-I227 HydrophobicContact CB-CG2 4.25Å; L216-I227 HydrophobicContact CD1-CG2 4.06Å; F217-I227 WeakPolarHBondContact O-CA 3.43Å; L218-I227 HydrophobicContact CD1-CD1 3.7Å; I227-P236 CarbonylContact O-C 3.59Å; I227-P236 WeakPolarHBondContact O-CA 3.39Å; I227-K237 PolarHBondContact O-N 3.41Å; I227-I238 HydrophobicContact CB-CB 4.19Å; I227-I238 HydrophobicContact CG1-CB 4.23Å; I227-I238 PolarHBondContact N-O 3.13Å; I227-F267 HydrophobicContact CD1-CZ 3.81Å; I227-F576 HydrophobicContact CD1-CD2 4.32Å; I227-F576 HydrophobicContact CD1-CE2 4.23Å; I227-F576 HydrophobicContact CG1-CD2 4.05Å; I227-F576 HydrophobicContact CG1-CE2 4.44Å; I227-F576 HydrophobicContact CG2-CD2 4Å; I227-F576 HydrophobicContact CG2-CE2 4.17Å; I227-M579 HydrophobicContact CG2-SD 4.29Å |
| 228 | Y | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.1 | -179.9 | -46.2 | -116.3 | 0 | 0 | 0 | 111.1 | V203 Y205 L216 F217 N226 D232 K233 P236 | V203-Y228 HydrophobicContact CG1-CE2 4.44Å; Y205-Y228 HydrophobicContact CD1-CE2 4.48Å; Y205-Y228 HydrophobicContact CE1-CD1 4.38Å; Y205-Y228 HydrophobicContact CE1-CD2 4.28Å; Y205-Y228 HydrophobicContact CE1-CE1 4.08Å; Y205-Y228 HydrophobicContact CE1-CE2 4.02Å; Y205-Y228 HydrophobicContact CE1-CG 4.49Å; Y205-Y228 AromaticContact CE1-CZ 3.92Å; L216-Y228 WeakPolarHBondContact CA-O 3.48Å; F217-Y228 HydrophobicContact CB-CD2 4.37Å; F217-Y228 PolarHBondContact N-O 2.86Å; F217-Y228 PolarHBondContact O-N 3.13Å; N226-Y228 HydrophobicContact CB-CE2 3.67Å; Y228-D232 VanDerWaalsContact CB-O 3.31Å; Y228-D232 WeakPolarHBondContact CB-O 3.43Å; Y228-K233 VanDerWaalsContact CD1-C 3.48Å; Y228-K233 WeakPolarHBondContact CD1-O 3.2Å; Y228-K233 WeakPolarHBondContact CE1-O 3.29Å; Y228-P236 HydrophobicContact CD1-CB 3.81Å; Y228-P236 HydrophobicContact CD1-CG 4.47Å; Y228-P236 HydrophobicContact CD2-CB 4.42Å; Y228-P236 HydrophobicContact CE1-CB 3.62Å; Y228-P236 HydrophobicContact CE1-CG 3.92Å; Y228-P236 HydrophobicContact CE2-CB 4.21Å; Y228-P236 HydrophobicContact CG-CB 4.2Å |
| 229 | E | 97.2 | Very high | 97.3 | Very high | 73 Ų | 73 | 23.1 Ų | 23.1 | 34% | 0.341 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 156.1 | 173.8 | -65.9 | 167.9 | 161.6 | 0 | 0 | 110.7 | N231 D232 K237 M579 | E229-N231 VanDerWaalsContact CB-OD1 3.27Å; E229-N231 WeakPolarHBondContact CB-OD1 3.33Å; E229-N231 PolarHBondContact O-N 3.11Å; E229-D232 PolarHBondContact O-N 3.25Å; E229-K237 HydrophobicContact CG-CG 4Å; E229-K237 WeakPolarHBondContact OE2-CE 3.33Å; E229-K237 IonicContact OE2-NZ 2.6Å; E229-M579 HydrophobicContact CG-CE 3.57Å |
| 230 | Q | 93.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 23.4 Ų | 23.4 | 36% | 0.36 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.1 | -171.7 | -159.3 | 61.6 | 24.5 | 0 | 0 | 114.3 | N207 E215 F217 | N207-Q230 PolarHBondContact OD1-NE2 3.04Å; E215-Q230 HydrophobicContact CB-CG 4.32Å; F217-Q230 HydrophobicContact CE2-CG 4.48Å |
| 231 | N | 93.8 | Very high | 97.2 | Very high | 116 Ų | 116 | 23.5 Ų | 23.5 | 62% | 0.62 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -11.4 | -179.4 | 60.6 | -36.7 | 0 | 0 | 0 | 114.7 | E229 | E229-N231 VanDerWaalsContact CB-OD1 3.27Å; E229-N231 WeakPolarHBondContact CB-OD1 3.33Å; E229-N231 PolarHBondContact O-N 3.11Å |
| 232 | D | 96.8 | Very high | 97.1 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.053 | 11% | 0.113 | C | C | . | . | trans | -136.5 | 109 | -175.6 | 173.8 | 7 | 0 | 0 | 0 | 110.3 | Y228 E229 M234 T235 K237 I546 | Y228-D232 VanDerWaalsContact CB-O 3.31Å; Y228-D232 WeakPolarHBondContact CB-O 3.43Å; E229-D232 PolarHBondContact O-N 3.25Å; D232-M234 PolarHBondContact OD1-N 3.06Å; D232-T235 PolarHBondContact OD1-N 3.34Å; D232-T235 PolarHBondContact OD1-OG1 3.21Å; D232-T235 WeakPolarHBondContact OD2-CB 3.26Å; D232-T235 PolarHBondContact OD2-OG1 3.39Å; D232-K237 IonicContact OD2-NZ 2.67Å; D232-K237 PolarHBondContact OD2-NZ 3.18Å; D232-I546 HydrophobicContact CB-CD1 3.94Å | ||
| 233 | K | 96.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 23.5 Ų | 23.5 | 34% | 0.343 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -94 | -2 | 177.2 | -72.9 | -177 | -177 | 171.1 | 0 | 114.2 | M200 Y205 F217 Y228 | M200-K233 HydrophobicContact CE-CB 4.44Å; M200-K233 HydrophobicContact CE-CD 4.36Å; Y205-K233 HydrophobicContact CD1-CB 4.41Å; Y205-K233 HydrophobicContact CD1-CD 4.29Å; Y205-K233 HydrophobicContact CD1-CG 4.19Å; Y205-K233 HydrophobicContact CE1-CB 3.75Å; Y205-K233 HydrophobicContact CE1-CD 4.35Å; Y205-K233 HydrophobicContact CE1-CG 4.04Å; Y205-K233 WeakPolarHBondContact CE1-O 3.23Å; Y205-K233 HydrophobicContact CG-CD 4.5Å; Y205-K233 PolarHBondContact OH-O 3.33Å; F217-K233 HydrophobicContact CD2-CG 4.05Å; F217-K233 HydrophobicContact CE2-CD 4.45Å; F217-K233 HydrophobicContact CE2-CG 3.99Å; F217-K233 HydrophobicContact CZ-CD 4.5Å; Y228-K233 VanDerWaalsContact CD1-C 3.48Å; Y228-K233 WeakPolarHBondContact CD1-O 3.2Å; Y228-K233 WeakPolarHBondContact CE1-O 3.29Å |
| 234 | M | 95.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -107.4 | -36.2 | -170.5 | -56.9 | -165.1 | -52.7 | 0 | 0 | 111.7 | Y116 E199 M200 D232 P236 N543 I546 H547 | Y116-M234 HydrophobicContact CD1-CE 4.21Å; Y116-M234 HydrophobicContact CD1-SD 3.39Å; Y116-M234 WeakPolarHBondContact CD1-SD 3.43Å; Y116-M234 HydrophobicContact CD2-SD 4.4Å; Y116-M234 HydrophobicContact CE1-CE 4.37Å; Y116-M234 HydrophobicContact CE1-SD 4.12Å; Y116-M234 HydrophobicContact CG-SD 3.56Å; Y116-M234 VanDerWaalsContact CG-SD 3.56Å; E199-M234 HydrophobicContact CB-CB 3.84Å; E199-M234 HydrophobicContact CB-CG 4.4Å; E199-M234 HydrophobicContact CG-CB 4.22Å; M200-M234 HydrophobicContact CG-CG 3.91Å; M200-M234 HydrophobicContact CG-SD 4.49Å; M200-M234 HydrophobicContact SD-CG 4.09Å; M200-M234 HydrophobicContact SD-SD 4.36Å; D232-M234 PolarHBondContact OD1-N 3.06Å; M234-P236 WeakPolarHBondContact O-CD 3.37Å; M234-N543 HydrophobicContact CE-CB 3.89Å; M234-N543 VanDerWaalsContact CE-O 3.26Å; M234-N543 WeakPolarHBondContact CE-O 3.48Å; M234-N543 HydrophobicContact SD-CB 4.09Å; M234-I546 HydrophobicContact CB-CG2 4.4Å; M234-I546 HydrophobicContact CE-CB 3.8Å; M234-I546 HydrophobicContact CE-CG2 3.71Å; M234-H547 HydrophobicContact CE-CB 3.91Å |
| 235 | T | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -103.2 | 90.4 | 177 | -18.4 | 0 | 0 | 0 | 0 | 109.8 | D232 K237 I546 N550 T560 | D232-T235 PolarHBondContact OD1-N 3.34Å; D232-T235 PolarHBondContact OD1-OG1 3.21Å; D232-T235 WeakPolarHBondContact OD2-CB 3.26Å; D232-T235 PolarHBondContact OD2-OG1 3.39Å; T235-K237 WeakPolarHBondContact O-CD 3.48Å; T235-K237 WeakPolarHBondContact O-CE 3.41Å; T235-K237 PolarHBondContact O-NZ 3.07Å; T235-I546 WeakPolarHBondContact OG1-CG2 3.48Å; T235-N550 WeakPolarHBondContact CG2-OD1 3.47Å; T235-N550 PolarHBondContact OG1-ND2 3Å; T235-N550 PolarHBondContact OG1-OD1 3.21Å; T235-T560 HydrophobicContact CG2-CG2 4.09Å |
| 236 | P | 98 | Very high | 96.3 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 7% | 0.071 | 13% | 0.132 | C | C | . | . | trans | -60.6 | 154.4 | 171.4 | 25.9 | -32.6 | 0 | 0 | 0 | 110.7 | N226 I227 Y228 M234 T560 I564 | N226-P236 HydrophobicContact CB-CB 3.88Å; N226-P236 HydrophobicContact CB-CG 4.49Å; I227-P236 CarbonylContact O-C 3.59Å; I227-P236 WeakPolarHBondContact O-CA 3.39Å; Y228-P236 HydrophobicContact CD1-CB 3.81Å; Y228-P236 HydrophobicContact CD1-CG 4.47Å; Y228-P236 HydrophobicContact CD2-CB 4.42Å; Y228-P236 HydrophobicContact CE1-CB 3.62Å; Y228-P236 HydrophobicContact CE1-CG 3.92Å; Y228-P236 HydrophobicContact CE2-CB 4.21Å; Y228-P236 HydrophobicContact CG-CB 4.2Å; M234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-T560 HydrophobicContact CG-CG2 4.16Å; P236-I564 HydrophobicContact CB-CD1 3.68Å; P236-I564 HydrophobicContact CG-CD1 3.66Å; P236-I564 WeakPolarHBondContact O-CG2 3.48Å | ||
| 237 | K | 97.9 | Very high | 96 | Very high | 64 Ų | 64 | 28.7 Ų | 28.7 | 28% | 0.278 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -107.4 | -30.5 | -177.8 | -46.9 | -50.9 | -175.1 | -144.4 | 0 | 113.1 | I227 E229 D232 T235 I564 M579 | I227-K237 PolarHBondContact O-N 3.41Å; E229-K237 HydrophobicContact CG-CG 4Å; E229-K237 WeakPolarHBondContact OE2-CE 3.33Å; E229-K237 IonicContact OE2-NZ 2.6Å; D232-K237 IonicContact OD2-NZ 2.67Å; D232-K237 PolarHBondContact OD2-NZ 3.18Å; T235-K237 WeakPolarHBondContact O-CD 3.48Å; T235-K237 WeakPolarHBondContact O-CE 3.41Å; T235-K237 PolarHBondContact O-NZ 3.07Å; K237-I564 WeakPolarHBondContact O-CG2 3.37Å; K237-M579 HydrophobicContact CB-CE 4.22Å; K237-M579 HydrophobicContact CG-CE 4.05Å |
| 238 | I | 98.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.8 | -177 | -54 | 175 | 0 | 0 | 0 | 108.8 | N226 I227 F240 R572 E575 F576 M579 | N226-I238 CarbonylContact C-O 3.55Å; N226-I238 WeakPolarHBondContact CA-O 3.49Å; I227-I238 HydrophobicContact CB-CB 4.19Å; I227-I238 HydrophobicContact CG1-CB 4.23Å; I227-I238 PolarHBondContact N-O 3.13Å; I238-F240 HydrophobicContact CG2-CE2 3.83Å; I238-F240 HydrophobicContact CG2-CZ 3.9Å; I238-R572 HydrophobicContact CG2-CB 3.79Å; I238-R572 HydrophobicContact CG2-CG 4.12Å; I238-E575 HydrophobicContact CD1-CB 3.87Å; I238-F576 VanDerWaalsContact CD1-CA 3.46Å; I238-F576 HydrophobicContact CD1-CB 3.77Å; I238-F576 VanDerWaalsContact CD1-N 3.31Å; I238-M579 HydrophobicContact CD1-SD 3.87Å |
| 239 | G | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L225 I564 R572 | L225-G239 WeakPolarHBondContact O-CA 3.49Å; G239-I564 PolarHBondContact N-O 3.44Å; G239-R572 WeakPolarHBondContact O-CD 3.47Å; G239-R572 PolarHBondContact O-NH1 2.84Å |
| 240 | F | 97.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 112.3 | 172.8 | -56.8 | -80.8 | 0 | 0 | 0 | 108.7 | G224 L225 I238 F267 T569 R572 I573 | G224-F240 WeakPolarHBondContact CA-O 3.2Å; L225-F240 PolarHBondContact N-O 2.96Å; L225-F240 PolarHBondContact O-N 2.89Å; I238-F240 HydrophobicContact CG2-CE2 3.83Å; I238-F240 HydrophobicContact CG2-CZ 3.9Å; F240-F267 HydrophobicContact CD2-CD1 4.5Å; F240-F267 HydrophobicContact CD2-CE1 4.4Å; F240-F267 HydrophobicContact CE2-CD1 4.35Å; F240-F267 HydrophobicContact CE2-CD2 4.49Å; F240-F267 HydrophobicContact CE2-CE1 4.28Å; F240-F267 HydrophobicContact CE2-CE2 4.41Å; F240-F267 HydrophobicContact CE2-CG 4.49Å; F240-F267 HydrophobicContact CE2-CZ 4.33Å; F240-T569 HydrophobicContact CD1-CG2 3.99Å; F240-T569 HydrophobicContact CE1-CG2 3.97Å; F240-R572 HydrophobicContact CE1-CB 3.67Å; F240-R572 HydrophobicContact CZ-CB 3.84Å; F240-I573 HydrophobicContact CE1-CG1 3.89Å; F240-I573 HydrophobicContact CZ-CG1 3.8Å |
| 241 | P | 96.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 155.7 | 174.6 | 30.3 | -35 | 0 | 0 | 0 | 110.5 | S243 E244 | P241-S243 PolarHBondContact O-N 3.1Å; P241-E244 HydrophobicContact CG-CB 4.16Å; P241-E244 HydrophobicContact CG-CG 3.86Å; P241-E244 PolarHBondContact O-N 3.28Å |
| 242 | W | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -57.9 | -32.9 | 176.8 | -71.3 | 122.8 | 0 | 0 | 0 | 112.6 | V220 D221 A222 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 3.28Å; D221-W242 PolarHBondContact O-NE1 3.26Å; A222-W242 VanDerWaalsContact O-CD1 3.32Å; A222-W242 PolarHBondContact O-NE1 2.92Å; G224-W242 WeakPolarHBondContact O-CZ2 3.48Å; L225-W242 HydrophobicContact CD1-CH2 4.41Å; L225-W242 HydrophobicContact CD1-CZ3 4.31Å; L225-W242 HydrophobicContact CD2-CH2 3.51Å; L225-W242 HydrophobicContact CD2-CZ2 4.12Å; L225-W242 HydrophobicContact CD2-CZ3 4.21Å; L225-W242 HydrophobicContact CG-CH2 3.77Å; L225-W242 HydrophobicContact CG-CZ2 4.43Å; L225-W242 HydrophobicContact CG-CZ3 4.01Å; W242-E244 PolarHBondContact O-N 3.29Å; W242-E244 VanDerWaalsContact O-N 3.15Å; W242-I245 HydrophobicContact CE3-CD1 3.71Å; W242-I245 HydrophobicContact CZ3-CD1 3.81Å; W242-I245 PolarHBondContact O-N 3.5Å; W242-I248 HydrophobicContact CZ3-CD1 4.04Å; W242-C284 HydrophobicContact CH2-CB 3.57Å; W242-C284 HydrophobicContact CZ3-CB 3.87Å; W242-N287 HydrophobicContact CZ2-CB 3.69Å; W242-H288 HydrophobicContact CD2-CB 4.05Å; W242-H288 HydrophobicContact CE3-CB 3.83Å; W242-H288 HydrophobicContact CG-CB 4.45Å; W242-H288 HydrophobicContact CZ3-CB 4.4Å; W242-Y291 HydrophobicContact CB-CD1 3.43Å; W242-Y291 VanDerWaalsContact CB-CD1 3.43Å; W242-Y291 HydrophobicContact CB-CD2 3.8Å; W242-Y291 HydrophobicContact CB-CE1 3.66Å; W242-Y291 HydrophobicContact CB-CE2 4.01Å; W242-Y291 HydrophobicContact CB-CG 3.51Å; W242-Y291 AromaticContact CD1-CD2 3.63Å; W242-Y291 AromaticContact CD1-CG 3.76Å; W242-Y291 HydrophobicContact CG-CD1 4.34Å; W242-Y291 HydrophobicContact CG-CD2 4.12Å; W242-Y291 AromaticContact CG-CG 3.96Å; W242-Y291 HydrophobicContact CG-CG 3.96Å |
| 243 | S | 92.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -63.7 | -10 | 174 | 51.9 | 0 | 0 | 0 | 0 | 115.8 | P241 I260 Y291 | P241-S243 PolarHBondContact O-N 3.1Å; S243-I260 WeakPolarHBondContact O-CD1 2.94Å; S243-Y291 WeakPolarHBondContact CB-OH 3.43Å; S243-Y291 PolarHBondContact OG-OH 2.78Å |
| 244 | E | 94.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -93.6 | -7.9 | 171.6 | -83.6 | -177.3 | -150 | 0 | 0 | 113.7 | P241 W242 P259 I260 T569 R572 | P241-E244 HydrophobicContact CG-CB 4.16Å; P241-E244 HydrophobicContact CG-CG 3.86Å; P241-E244 PolarHBondContact O-N 3.28Å; W242-E244 PolarHBondContact O-N 3.29Å; W242-E244 VanDerWaalsContact O-N 3.15Å; E244-P259 CarbonylContact O-C 3.42Å; E244-P259 VanDerWaalsContact O-CA 3.26Å; E244-P259 WeakPolarHBondContact O-CA 3.38Å; E244-I260 PolarHBondContact O-N 3.41Å; E244-T569 VanDerWaalsContact CD-OG1 3.25Å; E244-T569 WeakPolarHBondContact OE2-CB 3.31Å; E244-T569 WeakPolarHBondContact OE2-CG2 3.23Å; E244-T569 PolarHBondContact OE2-OG1 3.23Å; E244-R572 IonicContact OE1-CZ 2.67Å; E244-R572 IonicContact OE1-NH1 3.03Å; E244-R572 PolarHBondContact OE1-NH1 3.43Å; E244-R572 IonicContact OE1-NH2 2.7Å; E244-R572 PolarHBondContact OE1-NH2 2.88Å; E244-R572 IonicContact OE2-CZ 3.74Å; E244-R572 IonicContact OE2-NH1 2.69Å; E244-R572 PolarHBondContact OE2-NH1 3.38Å; E244-R572 IonicContact OE2-NH2 3.17Å; E244-R572 PolarHBondContact OE2-NH2 2.67Å |
| 245 | I | 94.3 | Very high | 95 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.5 | -167.7 | -59.4 | 169.6 | 0 | 0 | 0 | 111.4 | L225 W242 I248 I257 F496 | L225-I245 HydrophobicContact CD1-CD1 3.69Å; L225-I245 HydrophobicContact CG-CD1 4.09Å; W242-I245 HydrophobicContact CE3-CD1 3.71Å; W242-I245 HydrophobicContact CZ3-CD1 3.81Å; W242-I245 PolarHBondContact O-N 3.5Å; I245-I248 HydrophobicContact CG2-CD1 4Å; I245-I248 HydrophobicContact CG2-CG1 3.74Å; I245-I257 HydrophobicContact CB-CG2 4.48Å; I245-I257 HydrophobicContact CD1-CG2 4.32Å; I245-I257 HydrophobicContact CG1-CG2 4.11Å; I245-I257 HydrophobicContact CG2-CG2 3.63Å; I245-F496 HydrophobicContact CB-CD2 4.43Å; I245-F496 HydrophobicContact CG2-CD2 3.89Å; I245-F496 HydrophobicContact CG2-CE2 3.88Å |
| 246 | R | 91.4 | Very high | 95 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -38.2 | -176.4 | -161 | -154.6 | -46.9 | -81.4 | 1 | 113.5 | K258 P259 I260 D261 K262 F496 | R246-K258 WeakPolarHBondContact CB-O 3.49Å; R246-K258 PolarHBondContact N-O 3.47Å; R246-P259 WeakPolarHBondContact CB-O 3.49Å; R246-P259 PolarHBondContact NE-O 3.12Å; R246-P259 PolarHBondContact NH2-O 2.89Å; R246-I260 HydrophobicContact CB-CG1 3.79Å; R246-I260 HydrophobicContact CG-CG1 4.28Å; R246-I260 PolarHBondContact NH1-O 3.1Å; R246-I260 PolarHBondContact NH2-O 2.83Å; R246-D261 PolarHBondContact NH2-O 3.33Å; R246-D261 VanDerWaalsContact NH2-O 3.17Å; R246-K262 VanDerWaalsContact NH2-CG 3.32Å; R246-F496 WeakPolarHBondContact O-CB 3.33Å; R246-F496 PolarHBondContact O-N 3.31Å |
| 247 | N | 91.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 144.5 | -175.9 | 169.9 | -108.1 | 0 | 0 | 0 | 109.8 | K258 A494 | N247-K258 HydrophobicContact CB-CB 4.27Å; N247-K258 HydrophobicContact CB-CG 4.46Å; N247-K258 PolarHBondContact N-O 2.92Å; N247-K258 PolarHBondContact O-N 3.05Å; N247-A494 PolarHBondContact ND2-O 2.91Å |
| 248 | I | 94.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.6 | 175.5 | -60.5 | -176.6 | 0 | 0 | 0 | 109.1 | W242 I245 F255 I257 L281 C284 F496 | W242-I248 HydrophobicContact CZ3-CD1 4.04Å; I245-I248 HydrophobicContact CG2-CD1 4Å; I245-I248 HydrophobicContact CG2-CG1 3.74Å; I248-F255 HydrophobicContact CG2-CD1 4.28Å; I248-F255 HydrophobicContact CG2-CE1 3.24Å; I248-F255 HydrophobicContact CG2-CE2 4.5Å; I248-F255 HydrophobicContact CG2-CZ 3.36Å; I248-I257 HydrophobicContact CD1-CD1 4.36Å; I248-I257 HydrophobicContact CG1-CD1 4.48Å; I248-I257 HydrophobicContact CG1-CG1 4.25Å; I248-I257 HydrophobicContact CG1-CG2 4.27Å; I248-I257 HydrophobicContact CG2-CG1 4.31Å; I248-L281 HydrophobicContact CB-CD1 4.07Å; I248-L281 HydrophobicContact CG2-CD1 3.64Å; I248-C284 HydrophobicContact CD1-CB 3.47Å; I248-C284 VanDerWaalsContact CD1-CB 3.47Å; I248-F496 HydrophobicContact CD1-CE2 3.63Å; I248-F496 HydrophobicContact CD1-CZ 3.91Å; I248-F496 HydrophobicContact CG1-CE2 3.8Å; I248-F496 HydrophobicContact CG1-CZ 4.2Å |
| 249 | S | 92.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 167.2 | 177.6 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | V256 | S249-V256 PolarHBondContact N-O 3.37Å; S249-V256 PolarHBondContact O-N 3.41Å; S249-V256 VanDerWaalsContact O-O 3.09Å |
| 250 | F | 92.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 23% | 0.232 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.6 | 170 | 66.2 | -102.5 | 0 | 0 | 0 | 111 | K254 F255 L274 N277 K278 L281 | F250-K254 CarbonylContact C-O 3.19Å; F250-K254 VanDerWaalsContact CA-O 3.24Å; F250-K254 WeakPolarHBondContact CA-O 3.43Å; F250-K254 WeakPolarHBondContact CB-O 3.34Å; F250-F255 HydrophobicContact CB-CD2 3.58Å; F250-F255 HydrophobicContact CB-CE2 4.09Å; F250-F255 HydrophobicContact CB-CG 4.25Å; F250-F255 HydrophobicContact CD1-CD2 4.23Å; F250-F255 AromaticContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CG-CD2 4.28Å; F250-F255 HydrophobicContact CG-CE2 4.41Å; F250-L274 HydrophobicContact CD2-CD1 4.05Å; F250-L274 HydrophobicContact CE2-CD1 3.53Å; F250-L274 HydrophobicContact CZ-CD1 4.45Å; F250-N277 HydrophobicContact CB-CB 4.11Å; F250-N277 HydrophobicContact CD1-CB 3.9Å; F250-N277 HydrophobicContact CD2-CB 3.92Å; F250-N277 HydrophobicContact CE1-CB 4.33Å; F250-N277 HydrophobicContact CE2-CB 4.4Å; F250-N277 HydrophobicContact CG-CB 3.7Å; F250-K278 HydrophobicContact CE1-CG 4.16Å; F250-K278 HydrophobicContact CE2-CG 4.22Å; F250-K278 HydrophobicContact CZ-CB 4.5Å; F250-K278 HydrophobicContact CZ-CG 3.48Å; F250-K278 VanDerWaalsContact CZ-CG 3.48Å; F250-L281 HydrophobicContact CD1-CB 4.07Å; F250-L281 HydrophobicContact CD1-CD2 4.05Å; F250-L281 HydrophobicContact CE1-CB 3.89Å; F250-L281 HydrophobicContact CE1-CD2 3.56Å; F250-L281 HydrophobicContact CE1-CG 4.35Å |
| 251 | N | 91.4 | Very high | 94.1 | Very high | 132 Ų | 132 | 42.3 Ų | 42.3 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 122.7 | 168.6 | -169.9 | 5.1 | 0 | 0 | 0 | 109.5 | K253 K254 | N251-K253 PolarHBondContact O-N 2.98Å; N251-K254 PolarHBondContact N-O 3.22Å; N251-K254 PolarHBondContact O-N 3.45Å |
| 252 | D | 91.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.3 | -105.6 | -164.5 | -178.9 | 43.7 | 0 | 0 | 0 | 113.2 | N277 | D252-N277 PolarHBondContact O-ND2 3.34Š|
| 253 | K | 93.8 | Very high | 93.6 | Very high | 108 Ų | 108 | 59.8 Ų | 59.8 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -26 | 179.3 | -70.3 | 165 | -172.5 | 172.6 | 0 | 113.7 | N251 F255 Y270 A271 N277 | N251-K253 PolarHBondContact O-N 2.98Å; K253-F255 PolarHBondContact O-N 3.48Å; K253-Y270 WeakPolarHBondContact O-CA 3.28Å; K253-A271 WeakPolarHBondContact CB-O 3.45Å; K253-A271 WeakPolarHBondContact CG-O 2.99Å; K253-A271 PolarHBondContact O-N 3.03Å; K253-N277 WeakPolarHBondContact CA-ND2 3.22Å; K253-N277 PolarHBondContact O-ND2 3.49Å |
| 254 | K | 95.8 | Very high | 93.7 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.3 | -177.2 | -173.1 | -172.5 | -177.4 | -171 | 0 | 109.9 | F250 N251 V256 V268 Y270 | F250-K254 CarbonylContact C-O 3.19Å; F250-K254 VanDerWaalsContact CA-O 3.24Å; F250-K254 WeakPolarHBondContact CA-O 3.43Å; F250-K254 WeakPolarHBondContact CB-O 3.34Å; N251-K254 PolarHBondContact N-O 3.22Å; N251-K254 PolarHBondContact O-N 3.45Å; K254-V256 HydrophobicContact CD-CG2 4.16Å; K254-V256 HydrophobicContact CG-CG2 4.13Å; K254-V268 HydrophobicContact CD-CG1 4.33Å; K254-V268 VanDerWaalsContact CE-CG1 3.42Å; K254-V268 HydrophobicContact CG-CG1 3.97Å; K254-Y270 HydrophobicContact CB-CD1 4.09Å; K254-Y270 HydrophobicContact CB-CE1 3.87Å; K254-Y270 HydrophobicContact CD-CE1 4.45Å; K254-Y270 HydrophobicContact CG-CD1 4.36Å; K254-Y270 HydrophobicContact CG-CE1 3.81Å |
| 255 | F | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.8 | 170.6 | -149.3 | -94.3 | 0 | 0 | 0 | 109.2 | I248 F250 K253 I257 V268 F269 N277 I280 L281 | I248-F255 HydrophobicContact CG2-CD1 4.28Å; I248-F255 HydrophobicContact CG2-CE1 3.24Å; I248-F255 HydrophobicContact CG2-CE2 4.5Å; I248-F255 HydrophobicContact CG2-CZ 3.36Å; F250-F255 HydrophobicContact CB-CD2 3.58Å; F250-F255 HydrophobicContact CB-CE2 4.09Å; F250-F255 HydrophobicContact CB-CG 4.25Å; F250-F255 HydrophobicContact CD1-CD2 4.23Å; F250-F255 AromaticContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CG-CD2 4.28Å; F250-F255 HydrophobicContact CG-CE2 4.41Å; K253-F255 PolarHBondContact O-N 3.48Å; F255-I257 HydrophobicContact CD1-CD1 4.05Å; F255-I257 HydrophobicContact CD1-CG1 3.78Å; F255-I257 HydrophobicContact CE1-CD1 3.83Å; F255-I257 HydrophobicContact CE1-CG1 3.81Å; F255-V268 WeakPolarHBondContact O-CA 3.37Å; F255-F269 HydrophobicContact CB-CD1 4.24Å; F255-F269 HydrophobicContact CB-CD2 3.77Å; F255-F269 HydrophobicContact CB-CE1 3.93Å; F255-F269 HydrophobicContact CB-CE2 3.39Å; F255-F269 HydrophobicContact CB-CG 4.18Å; F255-F269 HydrophobicContact CB-CZ 3.48Å; F255-F269 VanDerWaalsContact CB-CZ 3.48Å; F255-F269 HydrophobicContact CD1-CD1 4.39Å; F255-F269 AromaticContact CD1-CE1 3.41Å; F255-F269 HydrophobicContact CD1-CE1 3.41Å; F255-F269 VanDerWaalsContact CD1-CE1 3.41Å; F255-F269 AromaticContact CD1-CE2 3.98Å; F255-F269 HydrophobicContact CD1-CE2 3.98Å; F255-F269 AromaticContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD2-CE2 4.26Å; F255-F269 HydrophobicContact CD2-CZ 4.1Å; F255-F269 HydrophobicContact CE1-CE1 4.15Å; F255-F269 AromaticContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CG-CD2 4.48Å; F255-F269 AromaticContact CG-CE1 3.93Å; F255-F269 HydrophobicContact CG-CE1 3.93Å; F255-F269 AromaticContact CG-CE2 3.65Å; F255-F269 HydrophobicContact CG-CE2 3.65Å; F255-F269 AromaticContact CG-CZ 3.32Å; F255-F269 HydrophobicContact CG-CZ 3.32Å; F255-F269 PolarHBondContact N-O 3.27Å; F255-F269 PolarHBondContact O-N 3.18Å; F255-N277 HydrophobicContact CD2-CB 4.02Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.26Å; F255-N277 HydrophobicContact CE2-CB 4.34Å; F255-I280 HydrophobicContact CE1-CG2 3.97Å; F255-I280 HydrophobicContact CE2-CB 3.96Å; F255-I280 HydrophobicContact CE2-CG2 3.78Å; F255-I280 HydrophobicContact CZ-CB 4.1Å; F255-I280 HydrophobicContact CZ-CG2 3.44Å; F255-I280 VanDerWaalsContact CZ-CG2 3.44Å; F255-L281 HydrophobicContact CE2-CB 4.29Å; F255-L281 HydrophobicContact CZ-CB 4.31Å |
| 256 | V | 97.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 63.1 Ų | 63.1 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 120.6 | -175.8 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | S249 K254 K258 D266 V268 | S249-V256 PolarHBondContact N-O 3.37Å; S249-V256 PolarHBondContact O-N 3.41Å; S249-V256 VanDerWaalsContact O-O 3.09Å; K254-V256 HydrophobicContact CD-CG2 4.16Å; K254-V256 HydrophobicContact CG-CG2 4.13Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; V256-D266 HydrophobicContact CG1-CB 4Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.43Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.32Å |
| 257 | I | 97.2 | Very high | 94.2 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.9 | 178.9 | -58.2 | -167.2 | 0 | 0 | 0 | 107.8 | L225 I245 I248 F255 F267 F269 | L225-I257 HydrophobicContact CD1-CD1 3.28Å; I245-I257 HydrophobicContact CB-CG2 4.48Å; I245-I257 HydrophobicContact CD1-CG2 4.32Å; I245-I257 HydrophobicContact CG1-CG2 4.11Å; I245-I257 HydrophobicContact CG2-CG2 3.63Å; I248-I257 HydrophobicContact CD1-CD1 4.36Å; I248-I257 HydrophobicContact CG1-CD1 4.48Å; I248-I257 HydrophobicContact CG1-CG1 4.25Å; I248-I257 HydrophobicContact CG1-CG2 4.27Å; I248-I257 HydrophobicContact CG2-CG1 4.31Å; F255-I257 HydrophobicContact CD1-CD1 4.05Å; F255-I257 HydrophobicContact CD1-CG1 3.78Å; F255-I257 HydrophobicContact CE1-CD1 3.83Å; F255-I257 HydrophobicContact CE1-CG1 3.81Å; I257-F267 HydrophobicContact CB-CB 4.18Å; I257-F267 HydrophobicContact CB-CD1 3.92Å; I257-F267 HydrophobicContact CB-CG 4.5Å; I257-F267 HydrophobicContact CD1-CD1 3.9Å; I257-F267 HydrophobicContact CD1-CE1 4.08Å; I257-F267 HydrophobicContact CG1-CD1 4.19Å; I257-F267 HydrophobicContact CG2-CD1 4.36Å; I257-F267 PolarHBondContact N-O 2.88Å; I257-F267 PolarHBondContact O-N 3.29Å; I257-F269 HydrophobicContact CD1-CE1 4.06Å |
| 258 | K | 95.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 59.5 Ų | 59.5 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.4 | -179.3 | -53.5 | -153.1 | 170.4 | -168.2 | 0 | 109.4 | R246 N247 V256 D266 | R246-K258 WeakPolarHBondContact CB-O 3.49Å; R246-K258 PolarHBondContact N-O 3.47Å; N247-K258 HydrophobicContact CB-CB 4.27Å; N247-K258 HydrophobicContact CB-CG 4.46Å; N247-K258 PolarHBondContact N-O 2.92Å; N247-K258 PolarHBondContact O-N 3.05Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; K258-D266 WeakPolarHBondContact CE-OD2 3.25Å; K258-D266 WeakPolarHBondContact CG-OD1 3.38Å; K258-D266 IonicContact NZ-OD2 3.82Å |
| 259 | P | 94.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 165.2 | 177.7 | 29.2 | -34.4 | 0 | 0 | 0 | 112 | E244 R246 A264 P265 T569 | E244-P259 CarbonylContact O-C 3.42Å; E244-P259 VanDerWaalsContact O-CA 3.26Å; E244-P259 WeakPolarHBondContact O-CA 3.38Å; R246-P259 WeakPolarHBondContact CB-O 3.49Å; R246-P259 PolarHBondContact NE-O 3.12Å; R246-P259 PolarHBondContact NH2-O 2.89Å; P259-A264 HydrophobicContact CB-CB 4.3Å; P259-A264 HydrophobicContact CG-CB 3.68Å; P259-P265 WeakPolarHBondContact CD-O 3.4Å; P259-P265 WeakPolarHBondContact CG-O 3.39Å; P259-T569 HydrophobicContact CB-CG2 3.74Å; P259-T569 HydrophobicContact CG-CG2 4.47Å |
| 260 | I | 91.5 | Very high | 95 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -75.9 | -31.4 | 174.3 | -70 | -170.8 | 0 | 0 | 0 | 111.7 | S243 E244 R246 K262 A499 | S243-I260 WeakPolarHBondContact O-CD1 2.94Å; E244-I260 PolarHBondContact O-N 3.41Å; R246-I260 HydrophobicContact CB-CG1 3.79Å; R246-I260 HydrophobicContact CG-CG1 4.28Å; R246-I260 PolarHBondContact NH1-O 3.1Å; R246-I260 PolarHBondContact NH2-O 2.83Å; I260-K262 PolarHBondContact O-N 3.43Å; I260-A499 HydrophobicContact CD1-CB 4.32Å |
| 261 | D | 91.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -62.2 | 133.1 | 162.3 | -179.5 | 19.8 | 0 | 0 | 0 | 109.6 | R246 K263 A264 | R246-D261 PolarHBondContact NH2-O 3.33Å; R246-D261 VanDerWaalsContact NH2-O 3.17Å; D261-K263 WeakPolarHBondContact OD1-CB 3.45Å; D261-K263 PolarHBondContact OD1-N 3.47Å; D261-A264 HydrophobicContact CB-CB 4.1Å; D261-A264 PolarHBondContact OD2-N 3.39Å |
| 262 | K | 90.8 | Very high | 95.1 | Very high | 182 Ų | 182 | 56.1 Ų | 56.1 | 79% | 0.791 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -87.7 | -8.7 | 176 | -69.4 | -176.6 | 178.7 | -178.5 | 0 | 112.5 | R246 I260 | R246-K262 VanDerWaalsContact NH2-CG 3.32Å; I260-K262 PolarHBondContact O-N 3.43Å |
| 263 | K | 92.4 | Very high | 95 | Very high | 188 Ų | 188 | 59.4 Ų | 59.4 | 82% | 0.817 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -94.1 | -26 | 177.6 | -58 | 176.4 | -179.2 | 176.8 | 0 | 112.7 | D261 | D261-K263 WeakPolarHBondContact OD1-CB 3.45Å; D261-K263 PolarHBondContact OD1-N 3.47Å |
| 264 | A | 94.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -69 | 144 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P259 D261 T569 K570 | P259-A264 HydrophobicContact CB-CB 4.3Å; P259-A264 HydrophobicContact CG-CB 3.68Å; D261-A264 HydrophobicContact CB-CB 4.1Å; D261-A264 PolarHBondContact OD2-N 3.39Å; A264-T569 HydrophobicContact CB-CG2 4.42Å; A264-K570 HydrophobicContact CB-CB 4.17Å |
| 265 | P | 96.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -69 | 163.9 | 176 | 30.2 | -35.5 | 0 | 0 | 0 | 111.9 | P259 F267 K570 I573 | P259-P265 WeakPolarHBondContact CD-O 3.4Å; P259-P265 WeakPolarHBondContact CG-O 3.39Å; P265-F267 PolarHBondContact O-N 2.98Å; P265-K570 HydrophobicContact CG-CG 4.39Å; P265-I573 HydrophobicContact CG-CB 4.21Å; P265-I573 HydrophobicContact CG-CD1 4.15Å; P265-I573 HydrophobicContact CG-CG2 3.89Å; P265-I573 VanDerWaalsContact O-CD1 3.23Å; P265-I573 WeakPolarHBondContact O-CD1 3.38Å |
| 266 | D | 97.2 | Very high | 93.9 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 127.1 | 167 | -78.1 | -2 | 0 | 0 | 0 | 109.6 | V256 K258 V268 | V256-D266 HydrophobicContact CG1-CB 4Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.43Å; K258-D266 WeakPolarHBondContact CE-OD2 3.25Å; K258-D266 WeakPolarHBondContact CG-OD1 3.38Å; K258-D266 IonicContact NZ-OD2 3.82Å; D266-V268 HydrophobicContact CB-CG2 4.09Å |
| 267 | F | 97.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.6 | 168.9 | 171.7 | -133.3 | 0 | 0 | 0 | 108.7 | I227 F240 I257 P265 F269 I573 F576 | I227-F267 HydrophobicContact CD1-CZ 3.81Å; F240-F267 HydrophobicContact CD2-CD1 4.5Å; F240-F267 HydrophobicContact CD2-CE1 4.4Å; F240-F267 HydrophobicContact CE2-CD1 4.35Å; F240-F267 HydrophobicContact CE2-CD2 4.49Å; F240-F267 HydrophobicContact CE2-CE1 4.28Å; F240-F267 HydrophobicContact CE2-CE2 4.41Å; F240-F267 HydrophobicContact CE2-CG 4.49Å; F240-F267 HydrophobicContact CE2-CZ 4.33Å; I257-F267 HydrophobicContact CB-CB 4.18Å; I257-F267 HydrophobicContact CB-CD1 3.92Å; I257-F267 HydrophobicContact CB-CG 4.5Å; I257-F267 HydrophobicContact CD1-CD1 3.9Å; I257-F267 HydrophobicContact CD1-CE1 4.08Å; I257-F267 HydrophobicContact CG1-CD1 4.19Å; I257-F267 HydrophobicContact CG2-CD1 4.36Å; I257-F267 PolarHBondContact N-O 2.88Å; I257-F267 PolarHBondContact O-N 3.29Å; P265-F267 PolarHBondContact O-N 2.98Å; F267-F269 AromaticContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CE1 4.04Å; F267-F269 HydrophobicContact CE2-CD1 4.36Å; F267-F269 AromaticContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CE1 4.3Å; F267-I573 HydrophobicContact CB-CD1 3.79Å; F267-I573 HydrophobicContact CB-CG1 3.94Å; F267-I573 HydrophobicContact CD2-CG1 4.38Å; F267-I573 HydrophobicContact CG-CG1 4.45Å; F267-F576 HydrophobicContact CD2-CD1 4.08Å; F267-F576 HydrophobicContact CD2-CE1 4.27Å; F267-F576 HydrophobicContact CD2-CG 4.44Å; F267-F576 AromaticContact CE2-CD1 3.6Å; F267-F576 HydrophobicContact CE2-CD1 3.6Å; F267-F576 AromaticContact CE2-CD2 3.92Å; F267-F576 HydrophobicContact CE2-CD2 3.92Å; F267-F576 AromaticContact CE2-CE1 3.63Å; F267-F576 HydrophobicContact CE2-CE1 3.63Å; F267-F576 AromaticContact CE2-CE2 3.94Å; F267-F576 HydrophobicContact CE2-CE2 3.94Å; F267-F576 AromaticContact CE2-CG 3.74Å; F267-F576 HydrophobicContact CE2-CG 3.74Å; F267-F576 AromaticContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CZ-CD2 4.49Å; F267-F576 HydrophobicContact CZ-CE2 4.33Å; F267-F576 HydrophobicContact CZ-CZ 4.38Å |
| 268 | V | 98 | Very high | 93.4 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125 | -168.4 | 172 | 0 | 0 | 0 | 0 | 110.3 | K254 F255 V256 D266 Y270 F576 | K254-V268 HydrophobicContact CD-CG1 4.33Å; K254-V268 VanDerWaalsContact CE-CG1 3.42Å; K254-V268 HydrophobicContact CG-CG1 3.97Å; F255-V268 WeakPolarHBondContact O-CA 3.37Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.32Å; D266-V268 HydrophobicContact CB-CG2 4.09Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å; V268-F576 WeakPolarHBondContact O-CE1 3.34Å |
| 269 | F | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 170.7 | 173.2 | 64.9 | -98.4 | 0 | 0 | 0 | 111.2 | I208 K209 L218 F255 I257 F267 I280 F576 | I208-F269 HydrophobicContact CB-CB 4.46Å; I208-F269 HydrophobicContact CB-CD2 3.86Å; I208-F269 HydrophobicContact CB-CG 4.4Å; I208-F269 HydrophobicContact CD1-CB 3.88Å; I208-F269 HydrophobicContact CD1-CD1 4.47Å; I208-F269 HydrophobicContact CD1-CD2 4.19Å; I208-F269 HydrophobicContact CD1-CG 3.95Å; I208-F269 HydrophobicContact CG2-CD2 3.48Å; I208-F269 VanDerWaalsContact CG2-CD2 3.48Å; I208-F269 HydrophobicContact CG2-CE2 3.66Å; I208-F269 HydrophobicContact CG2-CG 4.35Å; K209-F269 CarbonylContact O-C 3.6Å; K209-F269 WeakPolarHBondContact O-CA 3.49Å; K209-F269 WeakPolarHBondContact O-CB 3.36Å; L218-F269 HydrophobicContact CD2-CE1 3.98Å; L218-F269 HydrophobicContact CD2-CE2 4.08Å; L218-F269 HydrophobicContact CD2-CZ 3.5Å; L218-F269 VanDerWaalsContact CD2-CZ 3.5Å; F255-F269 HydrophobicContact CB-CD1 4.24Å; F255-F269 HydrophobicContact CB-CD2 3.77Å; F255-F269 HydrophobicContact CB-CE1 3.93Å; F255-F269 HydrophobicContact CB-CE2 3.39Å; F255-F269 HydrophobicContact CB-CG 4.18Å; F255-F269 HydrophobicContact CB-CZ 3.48Å; F255-F269 VanDerWaalsContact CB-CZ 3.48Å; F255-F269 HydrophobicContact CD1-CD1 4.39Å; F255-F269 AromaticContact CD1-CE1 3.41Å; F255-F269 HydrophobicContact CD1-CE1 3.41Å; F255-F269 VanDerWaalsContact CD1-CE1 3.41Å; F255-F269 AromaticContact CD1-CE2 3.98Å; F255-F269 HydrophobicContact CD1-CE2 3.98Å; F255-F269 AromaticContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD2-CE2 4.26Å; F255-F269 HydrophobicContact CD2-CZ 4.1Å; F255-F269 HydrophobicContact CE1-CE1 4.15Å; F255-F269 AromaticContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CG-CD2 4.48Å; F255-F269 AromaticContact CG-CE1 3.93Å; F255-F269 HydrophobicContact CG-CE1 3.93Å; F255-F269 AromaticContact CG-CE2 3.65Å; F255-F269 HydrophobicContact CG-CE2 3.65Å; F255-F269 AromaticContact CG-CZ 3.32Å; F255-F269 HydrophobicContact CG-CZ 3.32Å; F255-F269 PolarHBondContact N-O 3.27Å; F255-F269 PolarHBondContact O-N 3.18Å; I257-F269 HydrophobicContact CD1-CE1 4.06Å; F267-F269 AromaticContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CE1 4.04Å; F267-F269 HydrophobicContact CE2-CD1 4.36Å; F267-F269 AromaticContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CE1 4.3Å; F269-I280 HydrophobicContact CE2-CD1 4.07Å; F269-I280 HydrophobicContact CZ-CD1 4.4Å; F269-I280 HydrophobicContact CZ-CG2 4.37Å; F269-F576 HydrophobicContact CB-CE1 4.44Å; F269-F576 HydrophobicContact CB-CZ 3.87Å |
| 270 | Y | 98.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 63.5 Ų | 63.5 | 34% | 0.341 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.2 | -177 | -57.5 | -91.7 | 0 | 0 | 0 | 110.3 | I208 K209 K211 K253 K254 V268 | I208-Y270 CarbonylContact C-O 3.52Å; I208-Y270 WeakPolarHBondContact CA-O 3.46Å; K209-Y270 PolarHBondContact N-O 3.35Å; K209-Y270 PolarHBondContact O-N 3.35Å; K211-Y270 HydrophobicContact CG-CE2 4.18Å; K253-Y270 WeakPolarHBondContact O-CA 3.28Å; K254-Y270 HydrophobicContact CB-CD1 4.09Å; K254-Y270 HydrophobicContact CB-CE1 3.87Å; K254-Y270 HydrophobicContact CD-CE1 4.45Å; K254-Y270 HydrophobicContact CG-CD1 4.36Å; K254-Y270 HydrophobicContact CG-CE1 3.81Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å |
| 271 | A | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | trans | -97.2 | 145.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | K253 R273 I276 N277 | K253-A271 WeakPolarHBondContact CB-O 3.45Å; K253-A271 WeakPolarHBondContact CG-O 2.99Å; K253-A271 PolarHBondContact O-N 3.03Å; A271-R273 PolarHBondContact O-N 3.33Å; A271-R273 VanDerWaalsContact O-N 3.12Å; A271-I276 HydrophobicContact CB-CB 4.25Å; A271-I276 HydrophobicContact CB-CG2 3.94Å; A271-N277 WeakPolarHBondContact CB-OD1 3.28Å | ||
| 272 | P | 91.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -70.3 | -13.7 | -170.5 | 24.8 | -33.2 | 0 | 0 | 0 | 114.8 | N207 I276 | N207-P272 WeakPolarHBondContact O-CD 3.33Å; P272-I276 HydrophobicContact CG-CD1 3.91Å |
| 273 | R | 89.2 | Confident | 93.6 | Very high | 150 Ų | 150 | 53.8 Ų | 53.8 | 57% | 0.566 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -145.4 | 134.3 | -176.5 | -56.6 | -178.8 | -178 | 175.7 | 1.2 | 111.7 | A271 R275 I276 N277 | A271-R273 PolarHBondContact O-N 3.33Å; A271-R273 VanDerWaalsContact O-N 3.12Å; R273-R275 PolarHBondContact O-N 2.87Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.25Å; R273-I276 HydrophobicContact CG-CD1 4.34Å; R273-I276 WeakPolarHBondContact O-CA 3.47Å; R273-I276 WeakPolarHBondContact O-CB 3.4Å; R273-I276 PolarHBondContact O-N 3.28Å; R273-N277 PolarHBondContact O-N 3.31Å |
| 274 | L | 87.7 | Confident | 93.8 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 34% | 0.335 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -48.6 | -33 | 173.7 | 175.2 | 61.6 | 0 | 0 | 0 | 114.5 | F250 I276 N277 K278 | F250-L274 HydrophobicContact CD2-CD1 4.05Å; F250-L274 HydrophobicContact CE2-CD1 3.53Å; F250-L274 HydrophobicContact CZ-CD1 4.45Å; L274-I276 VanDerWaalsContact C-N 3.31Å; L274-I276 PolarHBondContact O-N 3.23Å; L274-N277 PolarHBondContact O-N 3.38Å; L274-K278 HydrophobicContact CG-CD 4.41Å; L274-K278 WeakPolarHBondContact O-CG 3.24Å; L274-K278 PolarHBondContact O-N 2.92Å |
| 275 | R | 86.3 | Confident | 93.7 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.6 | -36.2 | 174.9 | -170.8 | -167 | -168.9 | 121.1 | 13.4 | 112.5 | D51 F55 T57 R273 K278 R279 | D51-R275 IonicContact OD2-CZ 3.21Å; D51-R275 IonicContact OD2-NH1 3.76Å; D51-R275 PolarHBondContact OD2-NH1 3.37Å; D51-R275 IonicContact OD2-NH2 2.74Å; D51-R275 PolarHBondContact OD2-NH2 3.21Å; F55-R275 VanDerWaalsContact CB-CZ 3.47Å; F55-R275 VanDerWaalsContact CD2-NH1 3.28Å; T57-R275 PolarHBondContact OG1-NH2 3.27Å; R273-R275 PolarHBondContact O-N 2.87Å; R275-K278 PolarHBondContact O-N 3.03Å; R275-R279 PolarHBondContact O-N 3.44Å |
| 276 | I | 90.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 19% | 0.185 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.3 | -46.8 | 179.5 | -63.4 | 167.7 | 0 | 0 | 0 | 108.8 | F206 A271 P272 R273 L274 K278 R279 I280 | F206-I276 HydrophobicContact CB-CG2 4.44Å; F206-I276 HydrophobicContact CD1-CG2 3.73Å; F206-I276 HydrophobicContact CE1-CG2 4.43Å; F206-I276 HydrophobicContact CG-CG2 4.38Å; A271-I276 HydrophobicContact CB-CB 4.25Å; A271-I276 HydrophobicContact CB-CG2 3.94Å; P272-I276 HydrophobicContact CG-CD1 3.91Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.25Å; R273-I276 HydrophobicContact CG-CD1 4.34Å; R273-I276 WeakPolarHBondContact O-CA 3.47Å; R273-I276 WeakPolarHBondContact O-CB 3.4Å; R273-I276 PolarHBondContact O-N 3.28Å; L274-I276 VanDerWaalsContact C-N 3.31Å; L274-I276 PolarHBondContact O-N 3.23Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 3.16Å; I276-R279 CarbonylContact O-C 3.59Å; I276-R279 WeakPolarHBondContact O-CA 3.41Å; I276-R279 WeakPolarHBondContact O-CB 3.47Å; I276-R279 PolarHBondContact O-N 2.99Å; I276-I280 HydrophobicContact CG2-CD1 3.74Å; I276-I280 HydrophobicContact CG2-CG1 4.17Å; I276-I280 WeakPolarHBondContact O-CG1 3.2Å; I276-I280 PolarHBondContact O-N 2.85Å |
| 277 | N | 93 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.4 | -40.1 | 172.9 | -74.1 | -17 | 0 | 0 | 0 | 112.8 | F250 D252 K253 F255 A271 R273 L274 R279 I280 L281 | F250-N277 HydrophobicContact CB-CB 4.11Å; F250-N277 HydrophobicContact CD1-CB 3.9Å; F250-N277 HydrophobicContact CD2-CB 3.92Å; F250-N277 HydrophobicContact CE1-CB 4.33Å; F250-N277 HydrophobicContact CE2-CB 4.4Å; F250-N277 HydrophobicContact CG-CB 3.7Å; D252-N277 PolarHBondContact O-ND2 3.34Å; K253-N277 WeakPolarHBondContact CA-ND2 3.22Å; K253-N277 PolarHBondContact O-ND2 3.49Å; F255-N277 HydrophobicContact CD2-CB 4.02Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.26Å; F255-N277 HydrophobicContact CE2-CB 4.34Å; A271-N277 WeakPolarHBondContact CB-OD1 3.28Å; R273-N277 PolarHBondContact O-N 3.31Å; L274-N277 PolarHBondContact O-N 3.38Å; N277-R279 VanDerWaalsContact C-N 3.31Å; N277-R279 PolarHBondContact O-N 3.32Å; N277-I280 PolarHBondContact O-N 3.26Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 PolarHBondContact O-N 2.92Å |
| 278 | K | 90.9 | Very high | 93.4 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65 | -27.4 | 172.3 | -74.6 | 174 | 179.7 | 176.9 | 0 | 114.2 | F250 L274 R275 I276 A282 | F250-K278 HydrophobicContact CE1-CG 4.16Å; F250-K278 HydrophobicContact CE2-CG 4.22Å; F250-K278 HydrophobicContact CZ-CB 4.5Å; F250-K278 HydrophobicContact CZ-CG 3.48Å; F250-K278 VanDerWaalsContact CZ-CG 3.48Å; L274-K278 HydrophobicContact CG-CD 4.41Å; L274-K278 WeakPolarHBondContact O-CG 3.24Å; L274-K278 PolarHBondContact O-N 2.92Å; R275-K278 PolarHBondContact O-N 3.03Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 3.16Å; K278-A282 WeakPolarHBondContact O-CB 3.43Å |
| 279 | R | 91.6 | Very high | 93.1 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -79 | -46.1 | 172.4 | -78.1 | 179.3 | 58.8 | -171.1 | -6 | 111.7 | F206 R275 I276 N277 A282 L283 | F206-R279 HydrophobicContact CE1-CB 4.29Å; R275-R279 PolarHBondContact O-N 3.44Å; I276-R279 CarbonylContact O-C 3.59Å; I276-R279 WeakPolarHBondContact O-CA 3.41Å; I276-R279 WeakPolarHBondContact O-CB 3.47Å; I276-R279 PolarHBondContact O-N 2.99Å; N277-R279 VanDerWaalsContact C-N 3.31Å; N277-R279 PolarHBondContact O-N 3.32Å; R279-A282 PolarHBondContact O-N 2.74Å; R279-L283 PolarHBondContact O-N 3.28Å; R279-L283 VanDerWaalsContact O-N 3.08Å |
| 280 | I | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -54.6 | 178.1 | -64.5 | 169.9 | 0 | 0 | 0 | 109.3 | F206 L218 V220 F255 F269 I276 N277 A282 L283 C284 | F206-I280 HydrophobicContact CB-CD1 4.04Å; F206-I280 HydrophobicContact CB-CG1 4.36Å; F206-I280 HydrophobicContact CD1-CD1 4.37Å; F206-I280 HydrophobicContact CD1-CG1 3.98Å; F206-I280 HydrophobicContact CD2-CD1 4.27Å; F206-I280 HydrophobicContact CD2-CG1 3.71Å; F206-I280 HydrophobicContact CE1-CG1 4.18Å; F206-I280 HydrophobicContact CE2-CG1 3.92Å; F206-I280 HydrophobicContact CG-CD1 3.96Å; F206-I280 HydrophobicContact CG-CG1 3.73Å; F206-I280 HydrophobicContact CZ-CG1 4.16Å; L218-I280 HydrophobicContact CD2-CD1 4.17Å; L218-I280 HydrophobicContact CD2-CG2 3.91Å; V220-I280 HydrophobicContact CG2-CG2 4.39Å; F255-I280 HydrophobicContact CE1-CG2 3.97Å; F255-I280 HydrophobicContact CE2-CB 3.96Å; F255-I280 HydrophobicContact CE2-CG2 3.78Å; F255-I280 HydrophobicContact CZ-CB 4.1Å; F255-I280 HydrophobicContact CZ-CG2 3.44Å; F255-I280 VanDerWaalsContact CZ-CG2 3.44Å; F269-I280 HydrophobicContact CE2-CD1 4.07Å; F269-I280 HydrophobicContact CZ-CD1 4.4Å; F269-I280 HydrophobicContact CZ-CG2 4.37Å; I276-I280 HydrophobicContact CG2-CD1 3.74Å; I276-I280 HydrophobicContact CG2-CG1 4.17Å; I276-I280 WeakPolarHBondContact O-CG1 3.2Å; I276-I280 PolarHBondContact O-N 2.85Å; N277-I280 PolarHBondContact O-N 3.26Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 2.86Å; I280-L283 PolarHBondContact O-N 2.99Å; I280-C284 PolarHBondContact O-N 3.11Å; I280-C284 PolarHBondContact O-SG 2.89Å |
| 281 | L | 94.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 19% | 0.194 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.4 | -44.9 | 178.3 | -179.4 | 68.2 | 0 | 0 | 0 | 112.3 | I248 F250 F255 N277 L283 C284 M285 | I248-L281 HydrophobicContact CB-CD1 4.07Å; I248-L281 HydrophobicContact CG2-CD1 3.64Å; F250-L281 HydrophobicContact CD1-CB 4.07Å; F250-L281 HydrophobicContact CD1-CD2 4.05Å; F250-L281 HydrophobicContact CE1-CB 3.89Å; 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 4.31Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 PolarHBondContact O-N 2.92Å; L281-L283 PolarHBondContact O-N 2.79Å; L281-C284 PolarHBondContact O-N 3.46Å; L281-M285 HydrophobicContact CD1-CG 3.97Å; L281-M285 HydrophobicContact CD1-SD 3.95Å; L281-M285 HydrophobicContact CD2-SD 4.27Å; L281-M285 HydrophobicContact CG-CG 4.24Å; L281-M285 HydrophobicContact CG-SD 3.78Å; L281-M285 WeakPolarHBondContact O-CB 3.24Å; L281-M285 VanDerWaalsContact O-CG 3.27Å; L281-M285 WeakPolarHBondContact O-CG 3.26Å; L281-M285 PolarHBondContact O-N 3.41Å |
| 282 | A | 91.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 46 Ų | 46 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -75.3 | -3.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K83 K278 R279 I280 | K83-A282 PolarHBondContact NZ-O 2.92Å; K278-A282 WeakPolarHBondContact O-CB 3.43Å; R279-A282 PolarHBondContact O-N 2.74Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 2.86Å |
| 283 | L | 95.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -100.5 | -47.5 | 166.6 | -74.3 | 165.1 | 0 | 0 | 0 | 110.4 | K83 F84 N204 F206 V220 R279 I280 L281 M285 G286 N287 | K83-L283 HydrophobicContact CG-CD2 4.13Å; F84-L283 HydrophobicContact CD1-CD2 4.44Å; F84-L283 HydrophobicContact CE1-CD2 4.12Å; N204-L283 HydrophobicContact CB-CD1 3.95Å; F206-L283 HydrophobicContact CE2-CD1 3.87Å; F206-L283 HydrophobicContact CZ-CD1 3.58Å; V220-L283 HydrophobicContact CG1-CB 4.07Å; R279-L283 PolarHBondContact O-N 3.28Å; R279-L283 VanDerWaalsContact O-N 3.08Å; I280-L283 PolarHBondContact O-N 2.99Å; L281-L283 PolarHBondContact O-N 2.79Å; L283-M285 VanDerWaalsContact C-N 3.33Å; L283-M285 PolarHBondContact O-N 2.82Å; L283-G286 PolarHBondContact O-N 2.82Å; L283-N287 WeakPolarHBondContact O-CB 3.31Å; L283-N287 PolarHBondContact O-N 3.23Å; L283-N287 PolarHBondContact O-ND2 2.93Å |
| 284 | C | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | W242 I248 I280 L281 H288 | W242-C284 HydrophobicContact CH2-CB 3.57Å; W242-C284 HydrophobicContact CZ3-CB 3.87Å; I248-C284 HydrophobicContact CD1-CB 3.47Å; I248-C284 VanDerWaalsContact CD1-CB 3.47Å; I280-C284 PolarHBondContact O-N 3.11Å; I280-C284 PolarHBondContact O-SG 2.89Å; L281-C284 PolarHBondContact O-N 3.46Å; C284-H288 WeakPolarHBondContact O-CB 3.46Å; C284-H288 PolarHBondContact O-N 3.17Å |
| 285 | M | 92.9 | Very high | 92.7 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 34% | 0.335 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 176 | -74.8 | 175.8 | 65.3 | 0 | 0 | 111.9 | L281 L283 E289 A494 F496 | L281-M285 HydrophobicContact CD1-CG 3.97Å; L281-M285 HydrophobicContact CD1-SD 3.95Å; L281-M285 HydrophobicContact CD2-SD 4.27Å; L281-M285 HydrophobicContact CG-CG 4.24Å; L281-M285 HydrophobicContact CG-SD 3.78Å; L281-M285 WeakPolarHBondContact O-CB 3.24Å; L281-M285 VanDerWaalsContact O-CG 3.27Å; L281-M285 WeakPolarHBondContact O-CG 3.26Å; L281-M285 PolarHBondContact O-N 3.41Å; L283-M285 VanDerWaalsContact C-N 3.33Å; L283-M285 PolarHBondContact O-N 2.82Å; M285-E289 VanDerWaalsContact O-CB 3.24Å; M285-E289 WeakPolarHBondContact O-CB 3.33Å; M285-E289 PolarHBondContact O-N 3.13Å; M285-A494 HydrophobicContact CE-CB 4.1Å; M285-A494 HydrophobicContact CG-CB 3.9Å; M285-A494 HydrophobicContact SD-CB 4.06Å; M285-F496 HydrophobicContact CG-CE1 4.45Å |
| 286 | G | 93.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.3 | -33.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L283 E289 L290 | L283-G286 PolarHBondContact O-N 2.82Å; G286-E289 PolarHBondContact O-N 2.59Å; G286-L290 WeakPolarHBondContact O-CB 3.43Å; G286-L290 WeakPolarHBondContact O-CG 3.31Å; G286-L290 PolarHBondContact O-N 3.29Å |
| 287 | N | 96.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 170.6 | -79.8 | -39 | 0 | 0 | 0 | 110.7 | F84 D221 W242 L283 L290 Y291 | F84-N287 WeakPolarHBondContact CD1-OD1 3.4Å; D221-N287 WeakPolarHBondContact O-CB 3.42Å; D221-N287 PolarHBondContact O-ND2 3.47Å; W242-N287 HydrophobicContact CZ2-CB 3.69Å; L283-N287 WeakPolarHBondContact O-CB 3.31Å; L283-N287 PolarHBondContact O-N 3.23Å; L283-N287 PolarHBondContact O-ND2 2.93Å; N287-L290 PolarHBondContact O-N 3.11Å; N287-Y291 VanDerWaalsContact O-CB 3.26Å; N287-Y291 WeakPolarHBondContact O-CB 3.48Å; N287-Y291 PolarHBondContact O-N 3.02Å |
| 288 | H | 94.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.2 | -179.6 | -77.7 | 0 | 0 | 0 | 112.3 | W242 C284 L290 Y291 M292 F496 | W242-H288 HydrophobicContact CD2-CB 4.05Å; W242-H288 HydrophobicContact CE3-CB 3.83Å; W242-H288 HydrophobicContact CG-CB 4.45Å; W242-H288 HydrophobicContact CZ3-CB 4.4Å; C284-H288 WeakPolarHBondContact O-CB 3.46Å; C284-H288 PolarHBondContact O-N 3.17Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 3.19Å; H288-Y291 PolarHBondContact O-N 3.47Å; H288-M292 WeakPolarHBondContact CE1-CG 3.46Å; H288-M292 WeakPolarHBondContact O-CB 3.38Å; H288-M292 VanDerWaalsContact O-CG 3.32Å; H288-M292 WeakPolarHBondContact O-CG 3.44Å; H288-M292 PolarHBondContact O-N 3.44Å; H288-F496 HydrophobicContact CB-CD2 4.37Å; H288-F496 HydrophobicContact CB-CE1 4.02Å; H288-F496 HydrophobicContact CB-CE2 3.81Å; H288-F496 HydrophobicContact CB-CZ 3.61Å; H288-F496 AromaticContact CD2-CD2 3.33Å; H288-F496 WeakPolarHBondContact CD2-CD2 3.47Å; H288-F496 AromaticContact CD2-CE2 3.56Å; H288-F496 AromaticContact CD2-CG 3.79Å; H288-F496 WeakPolarHBondContact CE1-CB 3.43Å; H288-F496 AromaticContact CE1-CD1 3.7Å; H288-F496 AromaticContact CE1-CD2 3.7Å; H288-F496 AromaticContact CE1-CG 3.3Å; H288-F496 WeakPolarHBondContact CE1-CG 3.04Å; H288-F496 AromaticContact CG-CD1 3.88Å; H288-F496 AromaticContact CG-CD2 3.55Å; H288-F496 AromaticContact CG-CE1 3.81Å; H288-F496 AromaticContact CG-CE2 3.49Å; H288-F496 VanDerWaalsContact CG-CE2 3.49Å; H288-F496 AromaticContact CG-CG 3.75Å; H288-F496 AromaticContact CG-CZ 3.63Å; H288-F496 AromaticContact ND1-CD1 3.4Å; H288-F496 WeakPolarHBondContact ND1-CD1 3.36Å; H288-F496 AromaticContact ND1-CD2 3.76Å; H288-F496 AromaticContact ND1-CE1 3.69Å; H288-F496 AromaticContact ND1-CG 3.44Å; H288-F496 WeakPolarHBondContact ND1-CG 3.31Å; H288-F496 AromaticContact NE2-CD2 3.44Å; H288-F496 WeakPolarHBondContact NE2-CD2 3.43Å; H288-F496 AromaticContact NE2-CG 3.52Å |
| 289 | E | 92.4 | Very high | 92.5 | Very high | 141 Ų | 141 | 45.1 Ų | 45.1 | 66% | 0.659 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59 | -43.8 | 176 | -174.7 | 177.7 | 178.2 | 0 | 0 | 111.7 | M285 G286 M292 R293 | M285-E289 VanDerWaalsContact O-CB 3.24Å; M285-E289 WeakPolarHBondContact O-CB 3.33Å; M285-E289 PolarHBondContact O-N 3.13Å; G286-E289 PolarHBondContact O-N 2.59Å; E289-M292 PolarHBondContact O-N 2.93Å; E289-R293 PolarHBondContact O-N 3.26Å |
| 290 | L | 94.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.8 | -42.9 | 174.6 | -70.4 | 172.3 | 0 | 0 | 0 | 112.8 | W43 F84 G286 N287 H288 M292 R293 R294 | W43-L290 HydrophobicContact CB-CD2 4.12Å; W43-L290 HydrophobicContact CG-CD2 4.08Å; F84-L290 HydrophobicContact CB-CD1 3.67Å; F84-L290 HydrophobicContact CD2-CD1 4.3Å; F84-L290 HydrophobicContact CG-CD1 4.01Å; G286-L290 WeakPolarHBondContact O-CB 3.43Å; G286-L290 WeakPolarHBondContact O-CG 3.31Å; G286-L290 PolarHBondContact O-N 3.29Å; N287-L290 PolarHBondContact O-N 3.11Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 3.19Å; L290-M292 VanDerWaalsContact C-N 3.25Å; L290-M292 PolarHBondContact O-N 3.31Å; L290-R293 WeakPolarHBondContact O-CA 3.28Å; L290-R293 WeakPolarHBondContact O-CB 3.26Å; L290-R293 PolarHBondContact O-N 2.92Å; L290-R294 WeakPolarHBondContact O-CG 3.45Å; L290-R294 PolarHBondContact O-N 3.2Å |
| 291 | Y | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -39.8 | 173.9 | 177.9 | -85.8 | 0 | 0 | 0 | 112 | E87 W242 S243 N287 H288 R295 E507 | E87-Y291 WeakPolarHBondContact OE1-CA 3.25Å; E87-Y291 VanDerWaalsContact OE1-CD2 3.31Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.29Å; W242-Y291 HydrophobicContact CB-CD1 3.43Å; W242-Y291 VanDerWaalsContact CB-CD1 3.43Å; W242-Y291 HydrophobicContact CB-CD2 3.8Å; W242-Y291 HydrophobicContact CB-CE1 3.66Å; W242-Y291 HydrophobicContact CB-CE2 4.01Å; W242-Y291 HydrophobicContact CB-CG 3.51Å; W242-Y291 AromaticContact CD1-CD2 3.63Å; W242-Y291 AromaticContact CD1-CG 3.76Å; W242-Y291 HydrophobicContact CG-CD1 4.34Å; W242-Y291 HydrophobicContact CG-CD2 4.12Å; W242-Y291 AromaticContact CG-CG 3.96Å; W242-Y291 HydrophobicContact CG-CG 3.96Å; S243-Y291 WeakPolarHBondContact CB-OH 3.43Å; S243-Y291 PolarHBondContact OG-OH 2.78Å; N287-Y291 VanDerWaalsContact O-CB 3.26Å; N287-Y291 WeakPolarHBondContact O-CB 3.48Å; N287-Y291 PolarHBondContact O-N 3.02Å; H288-Y291 PolarHBondContact O-N 3.47Å; Y291-R295 VanDerWaalsContact CE2-NH1 3.31Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.45Å; Y291-R295 PolarHBondContact O-NH1 2.93Å; Y291-E507 WeakPolarHBondContact CE2-OE1 3.45Å; Y291-E507 PolarHBondContact OH-OE1 2.78Å |
| 292 | M | 90.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -82 | -11.9 | 174.7 | -66 | -62.3 | -73 | 0 | 0 | 114.2 | H288 E289 L290 K296 T497 A499 Y502 | H288-M292 WeakPolarHBondContact CE1-CG 3.46Å; H288-M292 WeakPolarHBondContact O-CB 3.38Å; H288-M292 VanDerWaalsContact O-CG 3.32Å; H288-M292 WeakPolarHBondContact O-CG 3.44Å; H288-M292 PolarHBondContact O-N 3.44Å; E289-M292 PolarHBondContact O-N 2.93Å; L290-M292 VanDerWaalsContact C-N 3.25Å; L290-M292 PolarHBondContact O-N 3.31Å; M292-K296 VanDerWaalsContact O-CD 3.25Å; M292-K296 WeakPolarHBondContact O-CD 3.48Å; M292-K296 WeakPolarHBondContact O-CE 3.5Å; M292-K296 WeakPolarHBondContact O-CG 3.38Å; M292-T497 WeakPolarHBondContact CE-O 3Å; M292-A499 HydrophobicContact CE-CB 4.45Å; M292-Y502 HydrophobicContact CE-CD2 3.69Å; M292-Y502 HydrophobicContact CE-CE2 3.51Å |
| 293 | R | 90.5 | Very high | 92.4 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -79.3 | -44.1 | 168.8 | -171.2 | -179.8 | -174.8 | -177.8 | 3.8 | 110.6 | W43 E289 L290 R295 K296 T299 V302 | W43-R293 VanDerWaalsContact CD2-NH1 3.31Å; E289-R293 PolarHBondContact O-N 3.26Å; L290-R293 WeakPolarHBondContact O-CA 3.28Å; L290-R293 WeakPolarHBondContact O-CB 3.26Å; L290-R293 PolarHBondContact O-N 2.92Å; R293-R295 VanDerWaalsContact C-N 3.3Å; R293-R295 PolarHBondContact O-N 3.46Å; R293-K296 PolarHBondContact O-N 3.06Å; R293-T299 PolarHBondContact NH2-OG1 3Å; R293-V302 VanDerWaalsContact NH2-CG2 3.3Å |
| 294 | R | 91.4 | Very high | 92.4 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -36.8 | 178.9 | -67.6 | 155.8 | -176.5 | 141.4 | 1 | 113.1 | F85 E87 E92 L290 K296 | F85-R294 PolarHBondContact O-NH2 2.6Å; E87-R294 VanDerWaalsContact CD-CD 3.49Å; E87-R294 WeakPolarHBondContact OE1-CD 3.46Å; E87-R294 IonicContact OE1-CZ 3.72Å; E87-R294 IonicContact OE1-NE 3.35Å; E87-R294 PolarHBondContact OE1-NE 2.97Å; E87-R294 IonicContact OE1-NH1 3.18Å; E87-R294 PolarHBondContact OE1-NH1 3.37Å; E92-R294 IonicContact OE1-CZ 2.64Å; E92-R294 IonicContact OE1-NE 3.56Å; E92-R294 PolarHBondContact OE1-NE 2.93Å; E92-R294 IonicContact OE1-NH2 3.23Å; E92-R294 IonicContact OE2-CZ 2.76Å; E92-R294 IonicContact OE2-NE 2.64Å; E92-R294 PolarHBondContact OE2-NE 3.22Å; E92-R294 IonicContact OE2-NH2 2.73Å; E92-R294 PolarHBondContact OE2-NH2 3.12Å; L290-R294 WeakPolarHBondContact O-CG 3.45Å; L290-R294 PolarHBondContact O-N 3.2Å; R294-K296 PolarHBondContact O-N 2.77Å; R294-K296 VanDerWaalsContact O-N 3.12Å |
| 295 | R | 89.9 | Confident | 92.3 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 26.4 | 179.4 | -68.8 | 163.2 | -174.5 | 70.7 | 10.3 | 113.2 | E87 Y291 R293 D504 E507 | E87-R295 IonicContact OE1-NH1 3.57Å; E87-R295 PolarHBondContact OE1-NH1 3.42Å; E87-R295 IonicContact OE2-CZ 2.73Å; E87-R295 IonicContact OE2-NH1 3.56Å; E87-R295 PolarHBondContact OE2-NH1 3.02Å; E87-R295 VanDerWaalsContact OE2-NH1 3.11Å; E87-R295 IonicContact OE2-NH2 3.54Å; E87-R295 PolarHBondContact OE2-NH2 3.05Å; Y291-R295 VanDerWaalsContact CE2-NH1 3.31Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.45Å; Y291-R295 PolarHBondContact O-NH1 2.93Å; R293-R295 VanDerWaalsContact C-N 3.3Å; R293-R295 PolarHBondContact O-N 3.46Å; R295-D504 HydrophobicContact CG-CB 4.2Å; R295-E507 IonicContact CZ-OE2 3.9Å; R295-E507 IonicContact NE-OE1 2.81Å; R295-E507 IonicContact NE-OE2 3.97Å; R295-E507 IonicContact NH2-OE1 2.76Å; R295-E507 IonicContact NH2-OE2 3.52Å; R295-E507 PolarHBondContact NH2-OE2 3.49Å |
| 296 | K | 87.8 | Confident | 92.4 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -135.9 | 154.1 | 173.2 | -64.2 | 172.4 | -174 | 169.7 | 0 | 108.1 | M292 R293 R294 Y502 | M292-K296 VanDerWaalsContact O-CD 3.25Å; M292-K296 WeakPolarHBondContact O-CD 3.48Å; M292-K296 WeakPolarHBondContact O-CE 3.5Å; M292-K296 WeakPolarHBondContact O-CG 3.38Å; R293-K296 PolarHBondContact O-N 3.06Å; R294-K296 PolarHBondContact O-N 2.77Å; R294-K296 VanDerWaalsContact O-N 3.12Å; K296-Y502 HydrophobicContact CG-CE1 4.49Å |
| 297 | P | 88.2 | Confident | 92.5 | Very high | 121 Ų | 121 | 58.5 Ų | 58.5 | 79% | 0.786 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 145.4 | 172.3 | -24.3 | 34.5 | 0 | 0 | 0 | 112 | T299 | P297-T299 PolarHBondContact O-N 2.99Š|
| 298 | D | 90.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 131.4 | 177 | -84.5 | -33.8 | 0 | 0 | 0 | 111 | V302 Q303 K306 | D298-V302 HydrophobicContact CB-CB 4.25Å; D298-V302 HydrophobicContact CB-CG1 3.98Å; D298-V302 VanDerWaalsContact OD1-CG1 3.28Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.49Å; D298-Q303 HydrophobicContact CB-CG 3.69Å; D298-Q303 PolarHBondContact O-NE2 2.91Å; D298-K306 IonicContact OD1-NZ 2.79Å; D298-K306 WeakPolarHBondContact OD2-CD 3.27Å; D298-K306 WeakPolarHBondContact OD2-CE 3.31Å; D298-K306 IonicContact OD2-NZ 3.26Å; D298-K306 PolarHBondContact OD2-NZ 3.41Å |
| 299 | T | 91.9 | Very high | 92.2 | Very high | 67 Ų | 67 | 63 Ų | 63 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 148 | 170.4 | 43.3 | 0 | 0 | 0 | 0 | 110.9 | R293 P297 E301 V302 Q303 | R293-T299 PolarHBondContact NH2-OG1 3Å; P297-T299 PolarHBondContact O-N 2.99Å; T299-E301 PolarHBondContact O-N 3.41Å; T299-E301 VanDerWaalsContact O-N 3.09Å; T299-V302 WeakPolarHBondContact O-CA 3.49Å; T299-V302 WeakPolarHBondContact O-CB 3.04Å; T299-V302 PolarHBondContact O-N 3.19Å; T299-V302 VanDerWaalsContact OG1-CG2 3.32Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.47Å; T299-Q303 PolarHBondContact O-N 3.41Å |
| 300 | I | 93.3 | Very high | 92.1 | Very high | 124 Ų | 124 | 65 Ų | 65 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -47.9 | -44.4 | -177.4 | -61.2 | 173.6 | 0 | 0 | 0 | 112.2 | V302 Q303 Q304 | I300-V302 VanDerWaalsContact C-N 3.31Å; I300-V302 PolarHBondContact O-N 3.1Å; I300-Q303 PolarHBondContact O-N 2.96Å; I300-Q303 VanDerWaalsContact O-N 3.17Å; I300-Q304 HydrophobicContact CG2-CG 4.37Å; I300-Q304 WeakPolarHBondContact O-CG 3.43Å; I300-Q304 PolarHBondContact O-N 3.23Å |
| 301 | E | 91.6 | Very high | 92 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 176.4 | -166.7 | -168.8 | -175.8 | 0 | 0 | 112.9 | R40 T299 Q304 M305 | R40-E301 IonicContact CZ-OE1 3.8Å; R40-E301 IonicContact NE-OE1 3.88Å; R40-E301 IonicContact NH2-OE1 2.81Å; R40-E301 PolarHBondContact NH2-OE1 2.89Å; T299-E301 PolarHBondContact O-N 3.41Å; T299-E301 VanDerWaalsContact O-N 3.09Å; E301-Q304 PolarHBondContact O-N 2.84Å; E301-M305 HydrophobicContact CG-SD 4.16Å; E301-M305 WeakPolarHBondContact O-CB 3.33Å; E301-M305 VanDerWaalsContact O-CG 3.22Å; E301-M305 WeakPolarHBondContact O-CG 3.34Å; E301-M305 PolarHBondContact O-N 2.7Å |
| 302 | V | 93.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.8 | -36.8 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 111 | W43 I94 R293 D298 T299 I300 M305 K306 | W43-V302 HydrophobicContact CH2-CG2 3.9Å; W43-V302 HydrophobicContact CZ2-CG2 4.45Å; I94-V302 HydrophobicContact CD1-CG1 3.84Å; R293-V302 VanDerWaalsContact NH2-CG2 3.3Å; D298-V302 HydrophobicContact CB-CB 4.25Å; D298-V302 HydrophobicContact CB-CG1 3.98Å; D298-V302 VanDerWaalsContact OD1-CG1 3.28Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.49Å; T299-V302 WeakPolarHBondContact O-CA 3.49Å; T299-V302 WeakPolarHBondContact O-CB 3.04Å; T299-V302 PolarHBondContact O-N 3.19Å; T299-V302 VanDerWaalsContact OG1-CG2 3.32Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.47Å; I300-V302 VanDerWaalsContact C-N 3.31Å; I300-V302 PolarHBondContact O-N 3.1Å; V302-M305 PolarHBondContact O-N 2.77Å; V302-K306 HydrophobicContact CG1-CD 4.3Å; V302-K306 WeakPolarHBondContact O-CB 3.37Å; V302-K306 WeakPolarHBondContact O-CG 3.18Å; V302-K306 PolarHBondContact O-N 2.73Å |
| 303 | Q | 93.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 78.4 Ų | 78.4 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 173 | -60.5 | -173.5 | 20.9 | 0 | 0 | 111 | D298 T299 I300 K306 A307 | D298-Q303 HydrophobicContact CB-CG 3.69Å; D298-Q303 PolarHBondContact O-NE2 2.91Å; T299-Q303 PolarHBondContact O-N 3.41Å; I300-Q303 PolarHBondContact O-N 2.96Å; I300-Q303 VanDerWaalsContact O-N 3.17Å; Q303-K306 PolarHBondContact O-N 3.26Å; Q303-A307 WeakPolarHBondContact O-CB 3.27Å; Q303-A307 PolarHBondContact O-N 2.79Å |
| 304 | Q | 94.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 79 Ų | 79 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.6 | -72.3 | 172.7 | -20.2 | 0 | 0 | 111.9 | I300 E301 A307 Q308 | I300-Q304 HydrophobicContact CG2-CG 4.37Å; I300-Q304 WeakPolarHBondContact O-CG 3.43Å; I300-Q304 PolarHBondContact O-N 3.23Å; E301-Q304 PolarHBondContact O-N 2.84Å; Q304-A307 PolarHBondContact O-N 3.43Å; Q304-Q308 VanDerWaalsContact O-CB 3.3Å; Q304-Q308 WeakPolarHBondContact O-CB 3.16Å; Q304-Q308 PolarHBondContact O-N 3.12Å |
| 305 | M | 94.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 82.6 Ų | 82.6 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.4 | -74.4 | 168.5 | 56.1 | 0 | 0 | 112.3 | R40 E41 W43 I94 E301 V302 A309 | R40-M305 HydrophobicContact CB-CE 3.64Å; R40-M305 HydrophobicContact CB-SD 3.81Å; E41-M305 HydrophobicContact CG-CE 3.4Å; E41-M305 VanDerWaalsContact CG-CE 3.4Å; W43-M305 HydrophobicContact CH2-CE 4.01Å; W43-M305 HydrophobicContact CH2-SD 4.43Å; I94-M305 HydrophobicContact CD1-CB 4.42Å; I94-M305 HydrophobicContact CD1-CE 4.2Å; I94-M305 HydrophobicContact CG2-CB 4.05Å; I94-M305 WeakPolarHBondContact CG2-O 3.17Å; E301-M305 HydrophobicContact CG-SD 4.16Å; E301-M305 WeakPolarHBondContact O-CB 3.33Å; E301-M305 VanDerWaalsContact O-CG 3.22Å; E301-M305 WeakPolarHBondContact O-CG 3.34Å; E301-M305 PolarHBondContact O-N 2.7Å; V302-M305 PolarHBondContact O-N 2.77Å; M305-A309 VanDerWaalsContact O-CB 3.27Å; M305-A309 WeakPolarHBondContact O-CB 3.47Å; M305-A309 PolarHBondContact O-N 2.86Å |
| 306 | K | 94.5 | Very high | 91.8 | Very high | 71 Ų | 71 | 85.1 Ų | 85.1 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 176.1 | -76.4 | -179.2 | 175.3 | 179.2 | 0 | 112.1 | E91 I94 D298 V302 Q303 R310 | E91-K306 PolarHBondContact O-NZ 3.45Å; I94-K306 HydrophobicContact CD1-CG 3.93Å; I94-K306 HydrophobicContact CG1-CG 3.92Å; I94-K306 HydrophobicContact CG2-CG 4.05Å; D298-K306 IonicContact OD1-NZ 2.79Å; D298-K306 WeakPolarHBondContact OD2-CD 3.27Å; D298-K306 WeakPolarHBondContact OD2-CE 3.31Å; D298-K306 IonicContact OD2-NZ 3.26Å; D298-K306 PolarHBondContact OD2-NZ 3.41Å; V302-K306 HydrophobicContact CG1-CD 4.3Å; V302-K306 WeakPolarHBondContact O-CB 3.37Å; V302-K306 WeakPolarHBondContact O-CG 3.18Å; V302-K306 PolarHBondContact O-N 2.73Å; Q303-K306 PolarHBondContact O-N 3.26Å; K306-R310 VanDerWaalsContact O-CB 3.27Å; K306-R310 WeakPolarHBondContact O-CB 3.22Å; K306-R310 PolarHBondContact O-N 2.83Å; K306-R310 VanDerWaalsContact O-N 3.09Å |
| 307 | A | 94.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 84.9 Ų | 84.9 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.3 | -54.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q303 Q304 A309 R310 E311 | Q303-A307 WeakPolarHBondContact O-CB 3.27Å; Q303-A307 PolarHBondContact O-N 2.79Å; Q304-A307 PolarHBondContact O-N 3.43Å; A307-A309 PolarHBondContact O-N 3.42Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 PolarHBondContact O-N 3.26Å; A307-R310 VanDerWaalsContact O-N 3.07Å; A307-E311 WeakPolarHBondContact O-CG 3.42Å; A307-E311 PolarHBondContact O-N 3.29Å |
| 308 | Q | 93.5 | Very high | 92 | Very high | 84 Ų | 84 | 85.4 Ų | 85.4 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.7 | -49.6 | 177.6 | -176.8 | -172.9 | -12.2 | 0 | 0 | 111.7 | Q304 R310 E311 E312 | Q304-Q308 VanDerWaalsContact O-CB 3.3Å; Q304-Q308 WeakPolarHBondContact O-CB 3.16Å; Q304-Q308 PolarHBondContact O-N 3.12Å; Q308-R310 VanDerWaalsContact C-N 3.28Å; Q308-R310 PolarHBondContact O-N 2.85Å; Q308-E311 PolarHBondContact O-N 2.79Å; Q308-E312 HydrophobicContact CG-CG 4.5Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q308-E312 PolarHBondContact NE2-OE1 3.11Å; Q308-E312 WeakPolarHBondContact O-CB 3.48Å; Q308-E312 WeakPolarHBondContact O-CG 3.45Å; Q308-E312 PolarHBondContact O-N 3.27Å |
| 309 | A | 91.2 | Very high | 92 | Very high | 23 Ų | 23 | 87 Ų | 87 | 19% | 0.19 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I94 M305 A307 K313 | I94-A309 HydrophobicContact CG2-CB 3.75Å; I94-A309 WeakPolarHBondContact O-CB 3.33Å; M305-A309 VanDerWaalsContact O-CB 3.27Å; M305-A309 WeakPolarHBondContact O-CB 3.47Å; M305-A309 PolarHBondContact O-N 2.86Å; A307-A309 PolarHBondContact O-N 3.42Å; A309-K313 WeakPolarHBondContact O-CB 3.5Å; A309-K313 PolarHBondContact O-N 2.8Å |
| 310 | R | 91.4 | Very high | 91.8 | Very high | 182 Ų | 182 | 86.7 Ų | 86.7 | 69% | 0.687 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.5 | -39 | 174.1 | -173.2 | -179.8 | -175.1 | -168.7 | 1.4 | 111.8 | K306 A307 Q308 N314 | K306-R310 VanDerWaalsContact O-CB 3.27Å; K306-R310 WeakPolarHBondContact O-CB 3.22Å; K306-R310 PolarHBondContact O-N 2.83Å; K306-R310 VanDerWaalsContact O-N 3.09Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 PolarHBondContact O-N 3.26Å; A307-R310 VanDerWaalsContact O-N 3.07Å; Q308-R310 VanDerWaalsContact C-N 3.28Å; Q308-R310 PolarHBondContact O-N 2.85Å; R310-N314 VanDerWaalsContact O-CB 3.31Å; R310-N314 WeakPolarHBondContact O-CB 3.3Å; R310-N314 PolarHBondContact O-N 3.46Å; R310-N314 PolarHBondContact O-ND2 3.14Å; R310-N314 PolarHBondContact O-OD1 3.19Å |
| 311 | E | 92.7 | Very high | 91.6 | Very high | 131 Ų | 131 | 83.5 Ų | 83.5 | 61% | 0.612 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.2 | -48.1 | 175.7 | -73.1 | 168.7 | -177.5 | 0 | 0 | 111.4 | A307 Q308 K313 N314 H315 | A307-E311 WeakPolarHBondContact O-CG 3.42Å; A307-E311 PolarHBondContact O-N 3.29Å; Q308-E311 PolarHBondContact O-N 2.79Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.27Å; E311-N314 PolarHBondContact O-N 3.01Å; E311-H315 WeakPolarHBondContact O-CB 3.41Å; E311-H315 PolarHBondContact O-N 3.49Å |
| 312 | E | 90.6 | Very high | 91.6 | Very high | 89 Ų | 89 | 84.3 Ų | 84.3 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 173.3 | -72.4 | 177 | -163.9 | 0 | 0 | 111.6 | Q308 H315 K316 | Q308-E312 HydrophobicContact CG-CG 4.5Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q308-E312 PolarHBondContact NE2-OE1 3.11Å; Q308-E312 WeakPolarHBondContact O-CB 3.48Å; Q308-E312 WeakPolarHBondContact O-CG 3.45Å; Q308-E312 PolarHBondContact O-N 3.27Å; E312-H315 PolarHBondContact O-N 3.38Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.1Å |
| 313 | K | 88.6 | Confident | 91.4 | Very high | 85 Ų | 85 | 88.3 Ų | 88.3 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.4 | -176.2 | 166 | -179.5 | 168.2 | 0 | 112.5 | E186 A309 E311 K317 | E186-K313 WeakPolarHBondContact OE1-CE 3.4Å; E186-K313 IonicContact OE1-NZ 2.73Å; E186-K313 PolarHBondContact OE1-NZ 3.3Å; A309-K313 WeakPolarHBondContact O-CB 3.5Å; A309-K313 PolarHBondContact O-N 2.8Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.27Å; K313-K317 WeakPolarHBondContact O-CG 3.37Å; K313-K317 PolarHBondContact O-N 3.28Å; K313-K317 VanDerWaalsContact O-N 3.1Å |
| 314 | N | 90.9 | Very high | 91.1 | Very high | 94 Ų | 94 | 86.9 Ų | 86.9 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 175.1 | -75 | -14.3 | 0 | 0 | 0 | 111.5 | R310 E311 K317 M318 | R310-N314 VanDerWaalsContact O-CB 3.31Å; R310-N314 WeakPolarHBondContact O-CB 3.3Å; R310-N314 PolarHBondContact O-N 3.46Å; R310-N314 PolarHBondContact O-ND2 3.14Å; R310-N314 PolarHBondContact O-OD1 3.19Å; E311-N314 PolarHBondContact O-N 3.01Å; N314-K317 PolarHBondContact O-N 3.5Å; N314-M318 PolarHBondContact O-N 3.03Å |
| 315 | H | 91.9 | Very high | 90.9 | Very high | 128 Ų | 128 | 85.3 Ų | 85.3 | 59% | 0.593 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.7 | -51.2 | 175.7 | -172.4 | -72.3 | 0 | 0 | 0 | 111 | E311 E312 K317 M318 E319 | E311-H315 WeakPolarHBondContact O-CB 3.41Å; E311-H315 PolarHBondContact O-N 3.49Å; E312-H315 PolarHBondContact O-N 3.38Å; H315-K317 VanDerWaalsContact C-N 3.28Å; H315-K317 PolarHBondContact O-N 3.01Å; H315-M318 PolarHBondContact O-N 3.21Å; H315-M318 VanDerWaalsContact O-N 3.1Å; H315-E319 IonicContact CE1-OE2 2.84Å; H315-E319 IonicContact ND1-OE2 2.71Å; H315-E319 WeakPolarHBondContact O-CB 3.24Å; H315-E319 PolarHBondContact O-N 2.91Å |
| 316 | K | 89.4 | Confident | 90.7 | Very high | 73 Ų | 73 | 89 Ų | 89 | 32% | 0.317 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.4 | -40.2 | 175.6 | -72 | 175.4 | -176.6 | -169.9 | 0 | 112.6 | D96 E312 R320 | D96-K316 IonicContact OD2-NZ 2.73Å; D96-K316 PolarHBondContact OD2-NZ 3.34Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.1Å; K316-R320 VanDerWaalsContact O-CB 3.31Å; K316-R320 WeakPolarHBondContact O-CB 3.4Å; K316-R320 PolarHBondContact O-N 3.37Å |
| 317 | K | 88.9 | Confident | 90.4 | Very high | 89 Ų | 89 | 92.8 Ų | 92.8 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 176.6 | -73.1 | -164.7 | -176.2 | -141.4 | 0 | 112.8 | M183 E186 K313 N314 H315 A321 | M183-K317 HydrophobicContact CE-CD 4.43Å; M183-K317 HydrophobicContact CE-CG 3.98Å; M183-K317 HydrophobicContact SD-CG 4.06Å; E186-K317 VanDerWaalsContact CD-NZ 3.28Å; E186-K317 VanDerWaalsContact OE1-CE 3.26Å; E186-K317 WeakPolarHBondContact OE1-CE 3.43Å; E186-K317 IonicContact OE1-NZ 3.76Å; E186-K317 PolarHBondContact OE1-NZ 2.86Å; E186-K317 IonicContact OE2-NZ 3.07Å; E186-K317 PolarHBondContact OE2-NZ 2.92Å; K313-K317 WeakPolarHBondContact O-CG 3.37Å; K313-K317 PolarHBondContact O-N 3.28Å; K313-K317 VanDerWaalsContact O-N 3.1Å; N314-K317 PolarHBondContact O-N 3.5Å; H315-K317 VanDerWaalsContact C-N 3.28Å; H315-K317 PolarHBondContact O-N 3.01Å; K317-A321 WeakPolarHBondContact O-CB 3.42Å; K317-A321 PolarHBondContact O-N 3.18Å |
| 318 | M | 91 | Very high | 90.2 | Very high | 132 Ų | 132 | 98.1 Ų | 98.1 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.3 | -45 | 175.6 | -174.7 | 169.5 | 177 | 0 | 0 | 111.6 | N314 H315 A321 L322 | N314-M318 PolarHBondContact O-N 3.03Å; H315-M318 PolarHBondContact O-N 3.21Å; H315-M318 VanDerWaalsContact O-N 3.1Å; M318-A321 PolarHBondContact O-N 2.65Å; M318-L322 HydrophobicContact CG-CD1 4.39Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.08Å |
| 319 | E | 90.6 | Very high | 90.1 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 174.6 | -173.8 | -179.3 | 171.4 | 0 | 0 | 111.5 | H315 A321 L322 L323 | H315-E319 IonicContact CE1-OE2 2.84Å; H315-E319 IonicContact ND1-OE2 2.71Å; H315-E319 WeakPolarHBondContact O-CB 3.24Å; H315-E319 PolarHBondContact O-N 2.91Å; E319-A321 PolarHBondContact O-N 3.12Å; E319-L322 PolarHBondContact O-N 3.05Å; E319-L323 HydrophobicContact CG-CD1 4.33Å; E319-L323 WeakPolarHBondContact O-CG 3.48Å; E319-L323 PolarHBondContact O-N 3.05Å |
| 320 | R | 86.8 | Confident | 89.9 | Confident | 62 Ų | 62 | 107.2 Ų | 107.2 | 23% | 0.234 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.5 | -178.2 | 176.2 | 174.5 | 151.2 | 12.5 | 112 | D136 G181 K316 L322 L323 E324 | D136-R320 IonicContact OD2-NH2 2.72Å; D136-R320 PolarHBondContact OD2-NH2 3.49Å; G181-R320 PolarHBondContact O-NH1 2.89Å; K316-R320 VanDerWaalsContact O-CB 3.31Å; K316-R320 WeakPolarHBondContact O-CB 3.4Å; K316-R320 PolarHBondContact O-N 3.37Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 3.12Å; R320-L323 PolarHBondContact O-N 2.97Å; R320-E324 HydrophobicContact CG-CG 4.4Å; R320-E324 IonicContact CZ-OE1 3.43Å; R320-E324 VanDerWaalsContact CZ-OE1 3.23Å; R320-E324 IonicContact NE-OE1 2.8Å; R320-E324 PolarHBondContact NE-OE1 3.23Å; R320-E324 IonicContact NH2-OE1 2.68Å; R320-E324 PolarHBondContact NH2-OE1 2.84Å; R320-E324 WeakPolarHBondContact O-CB 3.5Å; R320-E324 WeakPolarHBondContact O-CG 3.42Å; R320-E324 PolarHBondContact O-N 3.3Å |
| 321 | A | 89.7 | Confident | 89.9 | Confident | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K317 M318 E319 N325 | K317-A321 WeakPolarHBondContact O-CB 3.42Å; K317-A321 PolarHBondContact O-N 3.18Å; M318-A321 PolarHBondContact O-N 2.65Å; E319-A321 PolarHBondContact O-N 3.12Å; A321-N325 VanDerWaalsContact O-CB 3.27Å; A321-N325 WeakPolarHBondContact O-CB 3.35Å; A321-N325 PolarHBondContact O-N 3.36Å |
| 322 | L | 92 | Very high | 89.8 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.6 | -46.6 | 172.2 | -71.3 | 168.6 | 0 | 0 | 0 | 111.2 | M318 E319 R320 E324 N325 E326 | M318-L322 HydrophobicContact CG-CD1 4.39Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.08Å; E319-L322 PolarHBondContact O-N 3.05Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 3.12Å; L322-E324 PolarHBondContact O-N 2.88Å; L322-N325 PolarHBondContact O-N 2.67Å; L322-E326 PolarHBondContact O-N 2.83Å |
| 323 | L | 88.5 | Confident | 89.8 | Confident | 89 Ų | 89 | 98.4 Ų | 98.4 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.3 | -70.6 | 168.4 | 0 | 0 | 0 | 112.8 | E319 R320 E326 K327 | E319-L323 HydrophobicContact CG-CD1 4.33Å; E319-L323 WeakPolarHBondContact O-CG 3.48Å; E319-L323 PolarHBondContact O-N 3.05Å; R320-L323 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 3.04Å; L323-K327 WeakPolarHBondContact O-CB 3.22Å; L323-K327 WeakPolarHBondContact O-CG 3.21Å; L323-K327 PolarHBondContact O-N 3.45Å |
| 324 | E | 87.7 | Confident | 89.9 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 175.6 | -74.4 | -179.4 | 178.8 | 0 | 0 | 112.4 | R320 L322 R328 | R320-E324 HydrophobicContact CG-CG 4.4Å; R320-E324 IonicContact CZ-OE1 3.43Å; R320-E324 VanDerWaalsContact CZ-OE1 3.23Å; R320-E324 IonicContact NE-OE1 2.8Å; R320-E324 PolarHBondContact NE-OE1 3.23Å; R320-E324 IonicContact NH2-OE1 2.68Å; R320-E324 PolarHBondContact NH2-OE1 2.84Å; R320-E324 WeakPolarHBondContact O-CB 3.5Å; R320-E324 WeakPolarHBondContact O-CG 3.42Å; R320-E324 PolarHBondContact O-N 3.3Å; L322-E324 PolarHBondContact O-N 2.88Å; E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 PolarHBondContact O-N 2.87Å |
| 325 | N | 89.9 | Confident | 89.9 | Confident | 69 Ų | 69 | 101.7 Ų | 101.7 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 171.5 | -171 | 8.8 | 0 | 0 | 0 | 111.2 | A321 L322 R328 K329 | A321-N325 VanDerWaalsContact O-CB 3.27Å; A321-N325 WeakPolarHBondContact O-CB 3.35Å; A321-N325 PolarHBondContact O-N 3.36Å; L322-N325 PolarHBondContact O-N 2.67Å; N325-R328 PolarHBondContact O-N 2.9Å; N325-K329 WeakPolarHBondContact O-CG 3.5Å; N325-K329 PolarHBondContact O-N 3.42Å; N325-K329 WeakPolarHBondContact OD1-CE 3.41Å |
| 326 | E | 90.2 | Very high | 89.9 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 38% | 0.383 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.8 | -155.8 | -157.7 | 151.8 | 0 | 0 | 112 | L322 L323 R328 K329 R330 | L322-E326 PolarHBondContact O-N 2.83Å; L323-E326 PolarHBondContact O-N 3.04Å; E326-R328 VanDerWaalsContact C-N 3.33Å; E326-R328 PolarHBondContact O-N 3.48Å; E326-K329 PolarHBondContact O-N 2.96Å; E326-K329 VanDerWaalsContact O-N 3.16Å; E326-R330 WeakPolarHBondContact O-CG 3.26Å; E326-R330 PolarHBondContact O-N 2.89Å; E326-R330 IonicContact OE1-CZ 3.92Å; E326-R330 IonicContact OE1-NE 3.44Å; E326-R330 PolarHBondContact OE1-NE 2.69Å; E326-R330 IonicContact OE1-NH2 2.6Å; E326-R330 PolarHBondContact OE1-NH2 2.99Å; E326-R330 IonicContact OE2-NH2 2.72Å |
| 327 | K | 88.6 | Confident | 90 | Very high | 150 Ų | 150 | 103.2 Ų | 103.2 | 65% | 0.652 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55 | -47.7 | 172.8 | -77.4 | 177.3 | 179.6 | -177.9 | 0 | 111.5 | L323 K329 R330 E331 | L323-K327 WeakPolarHBondContact O-CB 3.22Å; L323-K327 WeakPolarHBondContact O-CG 3.21Å; L323-K327 PolarHBondContact O-N 3.45Å; K327-K329 VanDerWaalsContact C-N 3.34Å; K327-K329 PolarHBondContact O-N 3.47Å; K327-R330 PolarHBondContact O-N 2.7Å; K327-E331 WeakPolarHBondContact O-CB 3.34Å; K327-E331 PolarHBondContact O-N 3.02Å |
| 328 | R | 89.3 | Confident | 90.2 | Very high | 156 Ų | 156 | 103.7 Ų | 103.7 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 177.1 | -172.2 | -179.1 | -64.3 | 138.3 | 4 | 112.3 | E324 N325 E326 E331 V332 | E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 PolarHBondContact O-N 2.87Å; N325-R328 PolarHBondContact O-N 2.9Å; E326-R328 VanDerWaalsContact C-N 3.33Å; E326-R328 PolarHBondContact O-N 3.48Å; R328-E331 PolarHBondContact O-N 2.73Å; R328-V332 WeakPolarHBondContact O-CG2 3.4Å; R328-V332 PolarHBondContact O-N 2.86Å |
| 329 | K | 91.2 | Very high | 90.3 | Very high | 138 Ų | 138 | 103.2 Ų | 103.2 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 175 | -74.4 | 173.7 | 179.3 | -177.6 | 0 | 112.2 | N325 E326 K327 V332 A333 | N325-K329 WeakPolarHBondContact O-CG 3.5Å; N325-K329 PolarHBondContact O-N 3.42Å; N325-K329 WeakPolarHBondContact OD1-CE 3.41Å; E326-K329 PolarHBondContact O-N 2.96Å; E326-K329 VanDerWaalsContact O-N 3.16Å; K327-K329 VanDerWaalsContact C-N 3.34Å; K327-K329 PolarHBondContact O-N 3.47Å; K329-V332 PolarHBondContact O-N 2.82Å; K329-A333 WeakPolarHBondContact O-CB 3.35Å; K329-A333 PolarHBondContact O-N 3.46Å |
| 330 | R | 88.9 | Confident | 90.3 | Very high | 161 Ų | 161 | 103.7 Ų | 103.7 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 174.9 | -68.7 | 178.7 | -175.5 | -156.3 | 6.7 | 111.2 | E326 K327 V332 A333 E334 | E326-R330 WeakPolarHBondContact O-CG 3.26Å; E326-R330 PolarHBondContact O-N 2.89Å; E326-R330 IonicContact OE1-CZ 3.92Å; E326-R330 IonicContact OE1-NE 3.44Å; E326-R330 PolarHBondContact OE1-NE 2.69Å; E326-R330 IonicContact OE1-NH2 2.6Å; E326-R330 PolarHBondContact OE1-NH2 2.99Å; E326-R330 IonicContact OE2-NH2 2.72Å; K327-R330 PolarHBondContact O-N 2.7Å; R330-V332 VanDerWaalsContact C-N 3.35Å; R330-V332 PolarHBondContact O-N 3Å; R330-A333 PolarHBondContact O-N 2.87Å; R330-E334 VanDerWaalsContact O-CB 3.31Å; R330-E334 WeakPolarHBondContact O-CB 3.48Å; R330-E334 PolarHBondContact O-N 3.21Å |
| 331 | E | 90.3 | Very high | 90.5 | Very high | 93 Ų | 93 | 104.8 Ų | 104.8 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 177.6 | -167.7 | -161.8 | 146.4 | 0 | 0 | 112.6 | K327 R328 K335 | K327-E331 WeakPolarHBondContact O-CB 3.34Å; K327-E331 PolarHBondContact O-N 3.02Å; R328-E331 PolarHBondContact O-N 2.73Å; E331-K335 HydrophobicContact CG-CD 4.47Å; E331-K335 WeakPolarHBondContact O-CG 3.5Å; E331-K335 PolarHBondContact O-N 2.85Å; E331-K335 VanDerWaalsContact O-N 3.11Å; E331-K335 IonicContact OE1-NZ 2.87Å; E331-K335 PolarHBondContact OE1-NZ 3.42Å |
| 332 | V | 91.4 | Very high | 90.6 | Very high | 71 Ų | 71 | 107.4 Ų | 107.4 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 173.4 | 170 | 0 | 0 | 0 | 0 | 111 | R328 K329 R330 E334 K335 E336 | R328-V332 WeakPolarHBondContact O-CG2 3.4Å; R328-V332 PolarHBondContact O-N 2.86Å; K329-V332 PolarHBondContact O-N 2.82Å; R330-V332 VanDerWaalsContact C-N 3.35Å; R330-V332 PolarHBondContact O-N 3Å; V332-E334 VanDerWaalsContact C-N 3.27Å; V332-E334 PolarHBondContact O-N 3.05Å; V332-K335 PolarHBondContact O-N 3.21Å; V332-E336 HydrophobicContact CG1-CG 4.42Å; V332-E336 WeakPolarHBondContact O-CG 3.5Å; V332-E336 PolarHBondContact O-N 2.98Å |
| 333 | A | 90.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 106.3 Ų | 106.3 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K329 R330 K337 | K329-A333 WeakPolarHBondContact O-CB 3.35Å; K329-A333 PolarHBondContact O-N 3.46Å; R330-A333 PolarHBondContact O-N 2.87Å; A333-K337 WeakPolarHBondContact O-CB 3.49Å; A333-K337 PolarHBondContact O-N 3.48Å |
| 334 | E | 89.6 | Confident | 90.6 | Very high | 129 Ų | 129 | 107.7 Ų | 107.7 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.4 | -43.8 | 173.8 | -174.8 | 162.3 | -136.7 | 0 | 0 | 111.4 | R330 V332 K337 E338 | R330-E334 VanDerWaalsContact O-CB 3.31Å; R330-E334 WeakPolarHBondContact O-CB 3.48Å; R330-E334 PolarHBondContact O-N 3.21Å; V332-E334 VanDerWaalsContact C-N 3.27Å; V332-E334 PolarHBondContact O-N 3.05Å; E334-K337 WeakPolarHBondContact O-CB 3.34Å; E334-K337 PolarHBondContact O-N 3.39Å; E334-E338 PolarHBondContact O-N 2.99Å |
| 335 | K | 91.9 | Very high | 90.7 | Very high | 119 Ų | 119 | 109.5 Ų | 109.5 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 173.4 | -73 | 168.1 | 178.2 | 175.4 | 0 | 112.8 | E331 V332 K339 | E331-K335 HydrophobicContact CG-CD 4.47Å; E331-K335 WeakPolarHBondContact O-CG 3.5Å; E331-K335 PolarHBondContact O-N 2.85Å; E331-K335 VanDerWaalsContact O-N 3.11Å; E331-K335 IonicContact OE1-NZ 2.87Å; E331-K335 PolarHBondContact OE1-NZ 3.42Å; V332-K335 PolarHBondContact O-N 3.21Å; K335-K339 WeakPolarHBondContact O-CB 3.44Å; K335-K339 PolarHBondContact O-N 3.34Å; K335-K339 VanDerWaalsContact O-N 3.08Å |
| 336 | E | 91.9 | Very high | 90.7 | Very high | 116 Ų | 116 | 111.5 Ų | 111.5 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 171.1 | -73.9 | -179.9 | 166.6 | 0 | 0 | 111.3 | V332 K339 I340 | V332-E336 HydrophobicContact CG1-CG 4.42Å; V332-E336 WeakPolarHBondContact O-CG 3.5Å; V332-E336 PolarHBondContact O-N 2.98Å; E336-K339 PolarHBondContact O-N 2.88Å; E336-I340 WeakPolarHBondContact O-CB 3.47Å; E336-I340 VanDerWaalsContact O-CG1 3.28Å; E336-I340 WeakPolarHBondContact O-CG1 3.46Å; E336-I340 PolarHBondContact O-N 3.01Å |
| 337 | K | 91.4 | Very high | 90.7 | Very high | 118 Ų | 118 | 112.4 Ų | 112.4 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 173.2 | -179.8 | -174.8 | 174.2 | -71.7 | 0 | 111.3 | A333 E334 K339 I340 E341 | A333-K337 WeakPolarHBondContact O-CB 3.49Å; A333-K337 PolarHBondContact O-N 3.48Å; E334-K337 WeakPolarHBondContact O-CB 3.34Å; E334-K337 PolarHBondContact O-N 3.39Å; K337-K339 PolarHBondContact O-N 3.18Å; K337-I340 PolarHBondContact O-N 3.07Å; K337-E341 IonicContact NZ-OE1 3.62Å; K337-E341 PolarHBondContact NZ-OE1 3.47Å; K337-E341 IonicContact NZ-OE2 2.67Å; K337-E341 PolarHBondContact NZ-OE2 2.87Å; K337-E341 VanDerWaalsContact O-CB 3.27Å; K337-E341 WeakPolarHBondContact O-CB 3.39Å; K337-E341 PolarHBondContact O-N 2.82Å |
| 338 | E | 92.1 | Very high | 90.8 | Very high | 99 Ų | 99 | 109.7 Ų | 109.7 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.1 | -40.9 | 176.4 | -81.5 | -163.1 | -166.7 | 0 | 0 | 112.3 | E334 E341 K342 | E334-E338 PolarHBondContact O-N 2.99Å; E338-E341 PolarHBondContact O-N 2.86Å; E338-K342 WeakPolarHBondContact O-CD 3.43Å; E338-K342 WeakPolarHBondContact O-CG 3.49Å; E338-K342 PolarHBondContact O-N 2.94Å; E338-K342 IonicContact OE2-NZ 2.65Å; E338-K342 PolarHBondContact OE2-NZ 3.03Å |
| 339 | K | 93 | Very high | 90.8 | Very high | 122 Ų | 122 | 108.4 Ų | 108.4 | 53% | 0.53 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 178.7 | -176.3 | 173.1 | 177.9 | -68.9 | 0 | 111.3 | K335 E336 K337 E341 K342 E343 | K335-K339 WeakPolarHBondContact O-CB 3.44Å; K335-K339 PolarHBondContact O-N 3.34Å; K335-K339 VanDerWaalsContact O-N 3.08Å; E336-K339 PolarHBondContact O-N 2.88Å; K337-K339 PolarHBondContact O-N 3.18Å; K339-E341 VanDerWaalsContact C-N 3.28Å; K339-E341 PolarHBondContact O-N 3.38Å; K339-K342 PolarHBondContact O-N 3.12Å; K339-E343 WeakPolarHBondContact CE-OE1 3.32Å; K339-E343 IonicContact NZ-OE1 3.3Å; K339-E343 PolarHBondContact NZ-OE1 2.73Å; K339-E343 IonicContact NZ-OE2 3.65Å; K339-E343 WeakPolarHBondContact O-CB 3.38Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 2.79Å |
| 340 | I | 91.7 | Very high | 90.6 | Very high | 109 Ų | 109 | 106.3 Ų | 106.3 | 56% | 0.559 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -35 | 174.8 | -68.7 | 164.3 | 0 | 0 | 0 | 111.1 | E336 K337 K344 | E336-I340 WeakPolarHBondContact O-CB 3.47Å; E336-I340 VanDerWaalsContact O-CG1 3.28Å; E336-I340 WeakPolarHBondContact O-CG1 3.46Å; E336-I340 PolarHBondContact O-N 3.01Å; K337-I340 PolarHBondContact O-N 3.07Å; I340-K344 WeakPolarHBondContact O-CB 3.44Å; I340-K344 PolarHBondContact O-N 3.21Å |
| 341 | E | 90.1 | Very high | 90.3 | Very high | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 178.8 | -162.9 | 149 | -138.7 | 0 | 0 | 111.3 | K337 E338 K339 K344 E345 | K337-E341 IonicContact NZ-OE1 3.62Å; K337-E341 PolarHBondContact NZ-OE1 3.47Å; K337-E341 IonicContact NZ-OE2 2.67Å; K337-E341 PolarHBondContact NZ-OE2 2.87Å; K337-E341 VanDerWaalsContact O-CB 3.27Å; K337-E341 WeakPolarHBondContact O-CB 3.39Å; K337-E341 PolarHBondContact O-N 2.82Å; E338-E341 PolarHBondContact O-N 2.86Å; K339-E341 VanDerWaalsContact C-N 3.28Å; K339-E341 PolarHBondContact O-N 3.38Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3.06Å; E341-E345 WeakPolarHBondContact O-CG 3.4Å; E341-E345 PolarHBondContact O-N 3.11Å |
| 342 | K | 91.9 | Very high | 90.3 | Very high | 111 Ų | 111 | 105.8 Ų | 105.8 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 171.2 | -70.8 | 159.2 | -175.2 | 156 | 0 | 112.4 | E338 K339 K344 E345 E346 | E338-K342 WeakPolarHBondContact O-CD 3.43Å; E338-K342 WeakPolarHBondContact O-CG 3.49Å; E338-K342 PolarHBondContact O-N 2.94Å; E338-K342 IonicContact OE2-NZ 2.65Å; E338-K342 PolarHBondContact OE2-NZ 3.03Å; K339-K342 PolarHBondContact O-N 3.12Å; K342-K344 VanDerWaalsContact C-N 3.28Å; K342-K344 PolarHBondContact O-N 2.97Å; K342-E345 PolarHBondContact O-N 3.33Å; K342-E346 PolarHBondContact O-N 3.02Å |
| 343 | E | 91.3 | Very high | 90 | Very high | 84 Ų | 84 | 107.3 Ų | 107.3 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 175.2 | -76.1 | 172.4 | -176.3 | 0 | 0 | 112 | K339 L347 | K339-E343 WeakPolarHBondContact CE-OE1 3.32Å; K339-E343 IonicContact NZ-OE1 3.3Å; K339-E343 PolarHBondContact NZ-OE1 2.73Å; K339-E343 IonicContact NZ-OE2 3.65Å; K339-E343 WeakPolarHBondContact O-CB 3.38Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 2.79Å; E343-L347 WeakPolarHBondContact O-CB 3.35Å; E343-L347 VanDerWaalsContact O-CG 3.22Å; E343-L347 WeakPolarHBondContact O-CG 3.23Å; E343-L347 PolarHBondContact O-N 2.81Å |
| 344 | K | 89.6 | Confident | 89.7 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 172.7 | -179.1 | -157 | 169.8 | -158.6 | 0 | 111.6 | I340 E341 K342 L347 M348 | I340-K344 WeakPolarHBondContact O-CB 3.44Å; I340-K344 PolarHBondContact O-N 3.21Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3.06Å; K342-K344 VanDerWaalsContact C-N 3.28Å; K342-K344 PolarHBondContact O-N 2.97Å; K344-L347 PolarHBondContact O-N 3.21Å; K344-M348 HydrophobicContact CD-CE 4.29Å; K344-M348 HydrophobicContact CG-CE 4.14Å; K344-M348 HydrophobicContact CG-CG 4.44Å; K344-M348 HydrophobicContact CG-SD 4.31Å; K344-M348 WeakPolarHBondContact O-CB 3.45Å; K344-M348 VanDerWaalsContact O-CG 3.28Å; K344-M348 WeakPolarHBondContact O-CG 3.35Å; K344-M348 PolarHBondContact O-N 3.34Å |
| 345 | E | 89.6 | Confident | 89.2 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 174.3 | -74.9 | 178.7 | 154.1 | 0 | 0 | 111.3 | E341 K342 L347 M348 E349 | E341-E345 WeakPolarHBondContact O-CG 3.4Å; E341-E345 PolarHBondContact O-N 3.11Å; K342-E345 PolarHBondContact O-N 3.33Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 2.59Å; E345-M348 HydrophobicContact CG-CE 4.06Å; E345-M348 PolarHBondContact O-N 2.96Å; E345-E349 PolarHBondContact O-N 2.79Å |
| 346 | E | 90.6 | Very high | 88.8 | Confident | 110 Ų | 110 | 107.5 Ų | 107.5 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 173 | -77.1 | -168.8 | -145.8 | 0 | 0 | 112.9 | K342 E349 K350 | K342-E346 PolarHBondContact O-N 3.02Å; E346-E349 PolarHBondContact O-N 2.78Å; E346-K350 WeakPolarHBondContact O-CB 3.42Å; E346-K350 WeakPolarHBondContact O-CD 2.99Å; E346-K350 VanDerWaalsContact O-CG 3.22Å; E346-K350 WeakPolarHBondContact O-CG 3.41Å; E346-K350 PolarHBondContact O-N 2.96Å; E346-K350 IonicContact OE2-NZ 2.98Å; E346-K350 PolarHBondContact OE2-NZ 2.83Å |
| 347 | L | 90.4 | Very high | 88.3 | Confident | 101 Ų | 101 | 107.7 Ų | 107.7 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.3 | -34.8 | 178.5 | -76.9 | 169.1 | 0 | 0 | 0 | 112.4 | E343 K344 E345 L351 | E343-L347 WeakPolarHBondContact O-CB 3.35Å; E343-L347 VanDerWaalsContact O-CG 3.22Å; E343-L347 WeakPolarHBondContact O-CG 3.23Å; E343-L347 PolarHBondContact O-N 2.81Å; K344-L347 PolarHBondContact O-N 3.21Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 2.59Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.48Å; L347-L351 PolarHBondContact O-N 3.27Å |
| 348 | M | 89.3 | Confident | 87.5 | Confident | 93 Ų | 93 | 105.5 Ų | 105.5 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 173 | -73.7 | -176.1 | -55 | 0 | 0 | 111.2 | K344 E345 L351 K352 | K344-M348 HydrophobicContact CD-CE 4.29Å; K344-M348 HydrophobicContact CG-CE 4.14Å; K344-M348 HydrophobicContact CG-CG 4.44Å; K344-M348 HydrophobicContact CG-SD 4.31Å; K344-M348 WeakPolarHBondContact O-CB 3.45Å; K344-M348 VanDerWaalsContact O-CG 3.28Å; K344-M348 WeakPolarHBondContact O-CG 3.35Å; K344-M348 PolarHBondContact O-N 3.34Å; E345-M348 HydrophobicContact CG-CE 4.06Å; E345-M348 PolarHBondContact O-N 2.96Å; M348-L351 PolarHBondContact O-N 2.85Å; M348-K352 WeakPolarHBondContact O-CB 3.46Å; M348-K352 PolarHBondContact O-N 3.39Å |
| 349 | E | 89.2 | Confident | 87 | Confident | 129 Ų | 129 | 106.3 Ų | 106.3 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69 | -41.3 | 174.7 | -173.8 | 160.1 | -142.9 | 0 | 0 | 112 | E345 E346 K352 Q353 | E345-E349 PolarHBondContact O-N 2.79Å; E346-E349 PolarHBondContact O-N 2.78Å; E349-K352 PolarHBondContact O-N 3.34Å; E349-Q353 WeakPolarHBondContact O-CG 3.45Å; E349-Q353 PolarHBondContact O-N 3.5Å |
| 350 | K | 88.2 | Confident | 86.4 | Confident | 95 Ų | 95 | 106.9 Ų | 106.9 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 171.9 | -71.4 | 160.3 | -166.9 | 158.5 | 0 | 111.9 | E346 K352 Q353 I354 | E346-K350 WeakPolarHBondContact O-CB 3.42Å; E346-K350 WeakPolarHBondContact O-CD 2.99Å; E346-K350 VanDerWaalsContact O-CG 3.22Å; E346-K350 WeakPolarHBondContact O-CG 3.41Å; E346-K350 PolarHBondContact O-N 2.96Å; E346-K350 IonicContact OE2-NZ 2.98Å; E346-K350 PolarHBondContact OE2-NZ 2.83Å; K350-K352 PolarHBondContact O-N 3.07Å; K350-Q353 PolarHBondContact O-N 2.66Å; K350-I354 VanDerWaalsContact O-CG1 3.3Å; K350-I354 WeakPolarHBondContact O-CG1 3.39Å; K350-I354 PolarHBondContact O-N 3.09Å |
| 351 | L | 83.3 | Confident | 85.7 | Confident | 112 Ų | 112 | 104 Ų | 104 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -40.8 | 175 | -80.5 | 169.7 | 0 | 0 | 0 | 111.8 | L347 M348 I354 E355 | L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.48Å; L347-L351 PolarHBondContact O-N 3.27Å; M348-L351 PolarHBondContact O-N 2.85Å; L351-I354 CarbonylContact O-C 3.59Å; L351-I354 PolarHBondContact O-N 2.98Å; L351-E355 WeakPolarHBondContact O-CB 3.49Å; L351-E355 PolarHBondContact O-N 3.36Å |
| 352 | K | 88.4 | Confident | 85 | Confident | 130 Ų | 130 | 105.5 Ų | 105.5 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 174.8 | -175.2 | -176.1 | 173.5 | -169.9 | 0 | 112.1 | M348 E349 K350 I354 E355 D356 | M348-K352 WeakPolarHBondContact O-CB 3.46Å; M348-K352 PolarHBondContact O-N 3.39Å; E349-K352 PolarHBondContact O-N 3.34Å; K350-K352 PolarHBondContact O-N 3.07Å; K352-I354 VanDerWaalsContact C-N 3.32Å; K352-I354 PolarHBondContact O-N 3.38Å; K352-E355 PolarHBondContact O-N 2.87Å; K352-D356 WeakPolarHBondContact O-CB 3.12Å; K352-D356 PolarHBondContact O-N 3.38Å |
| 353 | Q | 85.3 | Confident | 84.4 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173.5 | -71.3 | 172.6 | 19.5 | 0 | 0 | 111.6 | E349 K350 Q357 | E349-Q353 WeakPolarHBondContact O-CG 3.45Å; E349-Q353 PolarHBondContact O-N 3.5Å; K350-Q353 PolarHBondContact O-N 2.66Å; Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 WeakPolarHBondContact O-CG 3.4Å; Q353-Q357 PolarHBondContact O-N 3.18Å |
| 354 | I | 84 | Confident | 83.7 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 174 | -67.6 | 164.4 | 0 | 0 | 0 | 110.5 | K350 L351 K352 Q357 T358 | K350-I354 VanDerWaalsContact O-CG1 3.3Å; K350-I354 WeakPolarHBondContact O-CG1 3.39Å; K350-I354 PolarHBondContact O-N 3.09Å; L351-I354 CarbonylContact O-C 3.59Å; L351-I354 PolarHBondContact O-N 2.98Å; K352-I354 VanDerWaalsContact C-N 3.32Å; K352-I354 PolarHBondContact O-N 3.38Å; I354-Q357 CarbonylContact O-C 3.53Å; I354-Q357 PolarHBondContact O-N 2.9Å; I354-T358 WeakPolarHBondContact O-CB 3.27Å; I354-T358 PolarHBondContact O-N 3Å; I354-T358 PolarHBondContact O-OG1 2.92Å |
| 355 | E | 79.8 | Confident | 83 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 176.4 | -171.8 | 179.8 | -179.3 | 0 | 0 | 111.7 | L351 K352 Q357 T358 K359 | L351-E355 WeakPolarHBondContact O-CB 3.49Å; L351-E355 PolarHBondContact O-N 3.36Å; K352-E355 PolarHBondContact O-N 2.87Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.35Å; E355-T358 PolarHBondContact O-N 2.64Å; E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 PolarHBondContact O-N 3.17Å |
| 356 | D | 84.8 | Confident | 82.4 | Confident | 78 Ų | 78 | 105.7 Ų | 105.7 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 174.2 | -80.7 | -35.6 | 0 | 0 | 0 | 112 | K352 K360 | K352-D356 WeakPolarHBondContact O-CB 3.12Å; K352-D356 PolarHBondContact O-N 3.38Å; D356-K360 WeakPolarHBondContact O-CB 3.23Å; D356-K360 WeakPolarHBondContact O-CD 3.49Å; D356-K360 WeakPolarHBondContact O-CG 3.4Å; D356-K360 PolarHBondContact O-N 3.2Å; D356-K360 VanDerWaalsContact O-N 3.16Å |
| 357 | Q | 80.4 | Confident | 81.9 | Confident | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.2 | -46.7 | 173.3 | -76.4 | 170.5 | 9.8 | 0 | 0 | 112.3 | Q353 I354 E355 K359 K360 A361 | Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 WeakPolarHBondContact O-CG 3.4Å; Q353-Q357 PolarHBondContact O-N 3.18Å; I354-Q357 CarbonylContact O-C 3.53Å; I354-Q357 PolarHBondContact O-N 2.9Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.35Å; Q357-K359 VanDerWaalsContact C-N 3.31Å; Q357-K359 PolarHBondContact O-N 3.33Å; Q357-K360 PolarHBondContact O-N 3.27Å; Q357-A361 WeakPolarHBondContact O-CB 3.43Å; Q357-A361 PolarHBondContact O-N 2.98Å |
| 358 | T | 75 | Confident | 81.2 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 177.3 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | I354 E355 A361 Q362 | I354-T358 WeakPolarHBondContact O-CB 3.27Å; I354-T358 PolarHBondContact O-N 3Å; I354-T358 PolarHBondContact O-OG1 2.92Å; E355-T358 PolarHBondContact O-N 2.64Å; T358-A361 PolarHBondContact O-N 3.3Å; T358-Q362 WeakPolarHBondContact O-CB 3.38Å; T358-Q362 WeakPolarHBondContact O-CG 3.32Å; T358-Q362 PolarHBondContact O-N 3.45Å |
| 359 | K | 81.7 | Confident | 80.6 | Confident | 116 Ų | 116 | 103.3 Ų | 103.3 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.8 | -174.9 | 174.3 | -178.7 | 176.4 | 0 | 112.2 | E355 Q357 Q362 Q363 | E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 PolarHBondContact O-N 3.17Å; Q357-K359 VanDerWaalsContact C-N 3.31Å; Q357-K359 PolarHBondContact O-N 3.33Å; K359-Q362 PolarHBondContact O-N 2.79Å; K359-Q363 WeakPolarHBondContact O-CG 3.43Å; K359-Q363 PolarHBondContact O-N 3.29Å |
| 360 | K | 80.6 | Confident | 80.2 | Confident | 134 Ų | 134 | 101.7 Ų | 101.7 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -46.7 | 171.1 | -77 | 167.9 | -175.6 | 172.3 | 0 | 111.6 | D356 Q357 Q362 Q363 E364 | D356-K360 WeakPolarHBondContact O-CB 3.23Å; D356-K360 WeakPolarHBondContact O-CD 3.49Å; D356-K360 WeakPolarHBondContact O-CG 3.4Å; D356-K360 PolarHBondContact O-N 3.2Å; D356-K360 VanDerWaalsContact O-N 3.16Å; Q357-K360 PolarHBondContact O-N 3.27Å; K360-Q362 VanDerWaalsContact C-N 3.29Å; K360-Q362 PolarHBondContact O-N 3.47Å; K360-Q363 PolarHBondContact O-N 3.27Å; K360-E364 VanDerWaalsContact O-CB 3.27Å; K360-E364 WeakPolarHBondContact O-CB 3.49Å; K360-E364 PolarHBondContact O-N 3.32Å |
| 361 | A | 77.1 | Confident | 79.7 | Confident | 49 Ų | 49 | 103.5 Ų | 103.5 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q357 T358 L365 | Q357-A361 WeakPolarHBondContact O-CB 3.43Å; Q357-A361 PolarHBondContact O-N 2.98Å; T358-A361 PolarHBondContact O-N 3.3Å; A361-L365 WeakPolarHBondContact O-CB 3.23Å; A361-L365 PolarHBondContact O-N 3.2Å |
| 362 | Q | 74.3 | Confident | 79.3 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 171.9 | -78.8 | 179.6 | -34.5 | 0 | 0 | 112.2 | T358 K359 K360 L365 E366 | T358-Q362 WeakPolarHBondContact O-CB 3.38Å; T358-Q362 WeakPolarHBondContact O-CG 3.32Å; T358-Q362 PolarHBondContact O-N 3.45Å; K359-Q362 PolarHBondContact O-N 2.79Å; K360-Q362 VanDerWaalsContact C-N 3.29Å; K360-Q362 PolarHBondContact O-N 3.47Å; Q362-L365 PolarHBondContact O-N 3.1Å; Q362-E366 WeakPolarHBondContact O-CB 3.32Å; Q362-E366 WeakPolarHBondContact O-CG 3.33Å; Q362-E366 PolarHBondContact O-N 3.44Å |
| 363 | Q | 79.1 | Confident | 79 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 177.1 | -70.5 | -178.9 | -65 | 0 | 0 | 112 | K359 K360 L365 E366 E367 | K359-Q363 WeakPolarHBondContact O-CG 3.43Å; K359-Q363 PolarHBondContact O-N 3.29Å; K360-Q363 PolarHBondContact O-N 3.27Å; Q363-L365 VanDerWaalsContact C-N 3.34Å; Q363-E366 PolarHBondContact O-N 2.9Å; Q363-E367 PolarHBondContact O-N 2.98Å |
| 364 | E | 76.4 | Confident | 78.8 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.1 | -36.9 | 175.7 | -171.1 | 162.4 | -150.3 | 0 | 0 | 111.1 | K360 E367 Q368 | K360-E364 VanDerWaalsContact O-CB 3.27Å; K360-E364 WeakPolarHBondContact O-CB 3.49Å; K360-E364 PolarHBondContact O-N 3.32Å; E364-E367 PolarHBondContact O-N 3.38Å; E364-Q368 WeakPolarHBondContact O-CB 3.33Å; E364-Q368 WeakPolarHBondContact O-CG 3.36Å; E364-Q368 PolarHBondContact O-N 3.11Å |
| 365 | L | 75.4 | Confident | 78.5 | Confident | 63 Ų | 63 | 95.1 Ų | 95.1 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 173.1 | -172.7 | 69.4 | 0 | 0 | 0 | 112.6 | A361 Q362 Q363 Q368 T369 L456 | A361-L365 WeakPolarHBondContact O-CB 3.23Å; A361-L365 PolarHBondContact O-N 3.2Å; Q362-L365 PolarHBondContact O-N 3.1Å; Q363-L365 VanDerWaalsContact C-N 3.34Å; L365-Q368 PolarHBondContact O-N 3.4Å; L365-T369 VanDerWaalsContact O-CB 3.31Å; L365-T369 WeakPolarHBondContact O-CB 3.35Å; L365-T369 PolarHBondContact O-N 2.79Å; L365-T369 PolarHBondContact O-OG1 2.87Å; L365-L456 HydrophobicContact CD1-CD1 3.92Å; L365-L456 HydrophobicContact CD2-CD1 3.77Å; L365-L456 HydrophobicContact CG-CD1 4.32Å |
| 366 | E | 77.8 | Confident | 78.3 | Confident | 139 Ų | 139 | 94.5 Ų | 94.5 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 172.3 | -76.7 | 179.2 | 158.8 | 0 | 0 | 110.8 | Q362 Q363 T369 Q370 | Q362-E366 WeakPolarHBondContact O-CB 3.32Å; Q362-E366 WeakPolarHBondContact O-CG 3.33Å; Q362-E366 PolarHBondContact O-N 3.44Å; Q363-E366 PolarHBondContact O-N 2.9Å; E366-T369 PolarHBondContact O-N 2.72Å; E366-Q370 WeakPolarHBondContact O-CB 3.34Å; E366-Q370 PolarHBondContact O-N 3.17Å |
| 367 | E | 79.9 | Confident | 78.1 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 173 | -78.1 | -165.2 | -139.1 | 0 | 0 | 112.7 | Q363 E364 T369 Q370 R371 | Q363-E367 PolarHBondContact O-N 2.98Å; E364-E367 PolarHBondContact O-N 3.38Å; E367-T369 VanDerWaalsContact C-N 3.33Å; E367-T369 PolarHBondContact O-N 2.78Å; E367-Q370 PolarHBondContact O-N 3.21Å; E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 WeakPolarHBondContact O-CG 3.45Å; E367-R371 PolarHBondContact O-N 2.9Å; E367-R371 IonicContact OE2-CZ 2.6Å; E367-R371 IonicContact OE2-NE 3.78Å; E367-R371 IonicContact OE2-NH2 3.85Å; E367-R371 PolarHBondContact OE2-NH2 3.13Å |
| 368 | Q | 75.8 | Confident | 78 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 174.7 | -72.2 | -90.6 | 25.7 | 0 | 0 | 110.8 | E364 L365 R371 A372 V452 | E364-Q368 WeakPolarHBondContact O-CB 3.33Å; E364-Q368 WeakPolarHBondContact O-CG 3.36Å; E364-Q368 PolarHBondContact O-N 3.11Å; L365-Q368 PolarHBondContact O-N 3.4Å; Q368-R371 PolarHBondContact O-N 3.22Å; Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 3.5Å; Q368-V452 HydrophobicContact CB-CG1 3.92Å |
| 369 | T | 76.2 | Confident | 78.1 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | L365 E366 E367 A372 L373 | L365-T369 VanDerWaalsContact O-CB 3.31Å; L365-T369 WeakPolarHBondContact O-CB 3.35Å; L365-T369 PolarHBondContact O-N 2.79Å; L365-T369 PolarHBondContact O-OG1 2.87Å; E366-T369 PolarHBondContact O-N 2.72Å; E367-T369 VanDerWaalsContact C-N 3.33Å; E367-T369 PolarHBondContact O-N 2.78Å; T369-A372 PolarHBondContact O-N 3.21Å; T369-L373 PolarHBondContact O-N 2.99Å |
| 370 | Q | 80.1 | Confident | 77.8 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177.8 | 179.2 | 59.4 | 29.3 | 0 | 0 | 111.7 | E366 E367 L373 E374 | E366-Q370 WeakPolarHBondContact O-CB 3.34Å; E366-Q370 PolarHBondContact O-N 3.17Å; E367-Q370 PolarHBondContact O-N 3.21Å; Q370-L373 PolarHBondContact O-N 3.5Å; Q370-E374 PolarHBondContact NE2-OE1 3.24Å; Q370-E374 WeakPolarHBondContact O-CG 3.33Å; Q370-E374 PolarHBondContact O-N 3.45Å |
| 371 | R | 78.1 | Confident | 77.7 | Confident | 134 Ų | 134 | 93.8 Ų | 93.8 | 51% | 0.506 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 174.9 | -69.5 | 172.1 | -162.4 | 177.7 | 7.2 | 111.4 | E367 Q368 L373 E374 L375 | E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 WeakPolarHBondContact O-CG 3.45Å; E367-R371 PolarHBondContact O-N 2.9Å; E367-R371 IonicContact OE2-CZ 2.6Å; E367-R371 IonicContact OE2-NE 3.78Å; E367-R371 IonicContact OE2-NH2 3.85Å; E367-R371 PolarHBondContact OE2-NH2 3.13Å; Q368-R371 PolarHBondContact O-N 3.22Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.34Å; R371-E374 PolarHBondContact O-N 3.08Å; R371-L375 VanDerWaalsContact O-CG 3.29Å; R371-L375 WeakPolarHBondContact O-CG 3.26Å; R371-L375 PolarHBondContact O-N 3.3Å |
| 372 | A | 75.4 | Confident | 77.5 | Confident | 30 Ų | 30 | 92.1 Ų | 92.1 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q368 T369 L375 E376 V452 | Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 3.5Å; T369-A372 PolarHBondContact O-N 3.21Å; A372-L375 PolarHBondContact O-N 3.01Å; A372-E376 WeakPolarHBondContact O-CB 3.28Å; A372-E376 PolarHBondContact O-N 3.35Å; A372-V452 HydrophobicContact CB-CG1 4.4Å |
| 373 | L | 81.1 | Confident | 77.5 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 176.1 | -177.9 | 65.1 | 0 | 0 | 0 | 112.9 | T369 Q370 R371 E376 Q377 | T369-L373 PolarHBondContact O-N 2.99Å; Q370-L373 PolarHBondContact O-N 3.5Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.34Å; L373-E376 PolarHBondContact O-N 3.16Å; L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 2.94Å; L373-Q377 VanDerWaalsContact O-N 3.09Å |
| 374 | E | 81.5 | Confident | 77.5 | Confident | 103 Ų | 103 | 90.1 Ų | 90.1 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 174.8 | -74.4 | 170.9 | -167.5 | 0 | 0 | 111.7 | Q370 R371 E376 Q377 E378 | Q370-E374 PolarHBondContact NE2-OE1 3.24Å; Q370-E374 WeakPolarHBondContact O-CG 3.33Å; Q370-E374 PolarHBondContact O-N 3.45Å; R371-E374 PolarHBondContact O-N 3.08Å; E374-E376 PolarHBondContact O-N 3.47Å; E374-Q377 PolarHBondContact O-N 3.4Å; E374-E378 PolarHBondContact O-N 3.35Å |
| 375 | L | 77.5 | Confident | 77.5 | Confident | 48 Ų | 48 | 88 Ų | 88 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 174.8 | -67.3 | -175.8 | 0 | 0 | 0 | 112.2 | R371 A372 E378 R379 W445 K448 | R371-L375 VanDerWaalsContact O-CG 3.29Å; R371-L375 WeakPolarHBondContact O-CG 3.26Å; R371-L375 PolarHBondContact O-N 3.3Å; A372-L375 PolarHBondContact O-N 3.01Å; L375-E378 PolarHBondContact O-N 2.87Å; L375-R379 VanDerWaalsContact O-CB 3.26Å; L375-R379 WeakPolarHBondContact O-CB 3.34Å; L375-R379 PolarHBondContact O-N 2.94Å; L375-W445 HydrophobicContact CD1-CE3 4.49Å; L375-W445 HydrophobicContact CD2-CD2 4.46Å; L375-W445 HydrophobicContact CD2-CE3 3.55Å; L375-W445 HydrophobicContact CD2-CH2 4.2Å; L375-W445 HydrophobicContact CD2-CZ3 3.41Å; L375-W445 VanDerWaalsContact CD2-CZ3 3.41Å; L375-K448 HydrophobicContact CD1-CB 4.36Å |
| 376 | E | 76.1 | Confident | 77.4 | Confident | 122 Ų | 122 | 86.1 Ų | 86.1 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 174.9 | -173.2 | 174.4 | -160.2 | 0 | 0 | 111.9 | A372 L373 E374 K380 | A372-E376 WeakPolarHBondContact O-CB 3.28Å; A372-E376 PolarHBondContact O-N 3.35Å; L373-E376 PolarHBondContact O-N 3.16Å; E374-E376 PolarHBondContact O-N 3.47Å; E376-K380 WeakPolarHBondContact O-CB 3.38Å; E376-K380 PolarHBondContact O-N 2.89Å |
| 377 | Q | 81.2 | Confident | 77.3 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 174.3 | -73.8 | 177.4 | 48.5 | 0 | 0 | 112.2 | L373 E374 K380 R381 | L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 2.94Å; L373-Q377 VanDerWaalsContact O-N 3.09Å; E374-Q377 PolarHBondContact O-N 3.4Å; Q377-K380 PolarHBondContact O-N 3.05Å; Q377-R381 WeakPolarHBondContact O-CG 3.28Å; Q377-R381 PolarHBondContact O-N 3.14Å |
| 378 | E | 78.7 | Confident | 77.4 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 41% | 0.407 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.7 | -35.5 | -179.4 | -153.3 | 71.3 | 168.1 | 0 | 0 | 111.9 | E374 L375 R381 S382 | E374-E378 PolarHBondContact O-N 3.35Å; L375-E378 PolarHBondContact O-N 2.87Å; E378-R381 PolarHBondContact O-N 3.41Å; E378-R381 WeakPolarHBondContact OE2-CD 2.95Å; E378-R381 IonicContact OE2-CZ 2.7Å; E378-R381 IonicContact OE2-NE 2.71Å; E378-R381 IonicContact OE2-NH1 3.64Å; E378-R381 PolarHBondContact OE2-NH1 3.12Å; E378-S382 WeakPolarHBondContact O-CB 3.47Å; E378-S382 PolarHBondContact O-N 3.1Å; E378-S382 PolarHBondContact O-OG 3.06Å |
| 379 | R | 75.4 | Confident | 77.4 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 25% | 0.253 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 169 | -165.8 | -166.3 | 80.7 | 79.6 | 22.8 | 111 | L375 S382 Q383 W445 | L375-R379 VanDerWaalsContact O-CB 3.26Å; L375-R379 WeakPolarHBondContact O-CB 3.34Å; L375-R379 PolarHBondContact O-N 2.94Å; R379-S382 PolarHBondContact O-N 3.28Å; R379-Q383 WeakPolarHBondContact O-CB 3.36Å; R379-Q383 PolarHBondContact O-N 2.85Å; R379-W445 HydrophobicContact CB-CB 4.44Å; R379-W445 HydrophobicContact CG-CB 4.36Å |
| 380 | K | 77.1 | Confident | 77.4 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 179.4 | -171 | 173.5 | -174.1 | -68.6 | 0 | 112.2 | E376 Q377 Q383 E384 | E376-K380 WeakPolarHBondContact O-CB 3.38Å; E376-K380 PolarHBondContact O-N 2.89Å; Q377-K380 PolarHBondContact O-N 3.05Å; K380-Q383 PolarHBondContact O-N 2.71Å; K380-E384 IonicContact NZ-OE1 2.79Å; K380-E384 PolarHBondContact NZ-OE1 3.3Å; K380-E384 WeakPolarHBondContact O-CG 3.34Å; K380-E384 PolarHBondContact O-N 2.77Å |
| 381 | R | 77.6 | Confident | 77.3 | Confident | 144 Ų | 144 | 84 Ų | 84 | 54% | 0.543 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 173.5 | -70.8 | 173 | -179.3 | 162.8 | -1.8 | 112.3 | Q377 E378 Q383 E384 E385 | Q377-R381 WeakPolarHBondContact O-CG 3.28Å; Q377-R381 PolarHBondContact O-N 3.14Å; E378-R381 PolarHBondContact O-N 3.41Å; E378-R381 WeakPolarHBondContact OE2-CD 2.95Å; E378-R381 IonicContact OE2-CZ 2.7Å; E378-R381 IonicContact OE2-NE 2.71Å; E378-R381 IonicContact OE2-NH1 3.64Å; E378-R381 PolarHBondContact OE2-NH1 3.12Å; R381-Q383 VanDerWaalsContact C-N 3.29Å; R381-Q383 PolarHBondContact O-N 3.03Å; R381-E384 PolarHBondContact O-N 3.39Å; R381-E385 PolarHBondContact O-N 2.79Å |
| 382 | S | 72.6 | Confident | 77.2 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | E378 R379 A386 | E378-S382 WeakPolarHBondContact O-CB 3.47Å; E378-S382 PolarHBondContact O-N 3.1Å; E378-S382 PolarHBondContact O-OG 3.06Å; R379-S382 PolarHBondContact O-N 3.28Å; S382-A386 WeakPolarHBondContact O-CB 3.49Å; S382-A386 PolarHBondContact O-N 3.34Å |
| 383 | Q | 73.8 | Confident | 77 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 173.9 | -169.7 | -175 | -34.8 | 0 | 0 | 111.8 | R379 K380 R381 E385 A386 E387 | R379-Q383 WeakPolarHBondContact O-CB 3.36Å; R379-Q383 PolarHBondContact O-N 2.85Å; K380-Q383 PolarHBondContact O-N 2.71Å; R381-Q383 VanDerWaalsContact C-N 3.29Å; R381-Q383 PolarHBondContact O-N 3.03Å; Q383-E385 VanDerWaalsContact C-N 3.3Å; Q383-E385 PolarHBondContact O-N 3.32Å; Q383-A386 PolarHBondContact O-N 2.87Å; Q383-A386 VanDerWaalsContact O-N 3.17Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.38Å; Q383-E387 PolarHBondContact NE2-OE1 3.17Å; Q383-E387 WeakPolarHBondContact O-CG 3.06Å; Q383-E387 PolarHBondContact O-N 3.03Å |
| 384 | E | 80 | Confident | 76.9 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 177.1 | -73.9 | 170.3 | 176.8 | 0 | 0 | 112.6 | K380 R381 R388 | K380-E384 IonicContact NZ-OE1 2.79Å; K380-E384 PolarHBondContact NZ-OE1 3.3Å; K380-E384 WeakPolarHBondContact O-CG 3.34Å; K380-E384 PolarHBondContact O-N 2.77Å; R381-E384 PolarHBondContact O-N 3.39Å; E384-R388 PolarHBondContact O-N 2.84Å; E384-R388 VanDerWaalsContact O-N 3.13Å |
| 385 | E | 76.7 | Confident | 76.8 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 173.7 | -177.7 | 160.8 | -120.9 | 0 | 0 | 112.5 | R381 Q383 R388 L389 | R381-E385 PolarHBondContact O-N 2.79Å; Q383-E385 VanDerWaalsContact C-N 3.3Å; Q383-E385 PolarHBondContact O-N 3.32Å; E385-R388 PolarHBondContact O-N 2.86Å; E385-R388 IonicContact OE1-NH1 3.65Å; E385-L389 HydrophobicContact CG-CD1 4.2Å; E385-L389 WeakPolarHBondContact O-CG 3.4Å; E385-L389 PolarHBondContact O-N 3.3Å |
| 386 | A | 72.7 | Confident | 76.6 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S382 Q383 R388 L389 E390 | S382-A386 WeakPolarHBondContact O-CB 3.49Å; S382-A386 PolarHBondContact O-N 3.34Å; Q383-A386 PolarHBondContact O-N 2.87Å; Q383-A386 VanDerWaalsContact O-N 3.17Å; A386-R388 VanDerWaalsContact C-N 3.31Å; A386-R388 PolarHBondContact O-N 3.45Å; A386-L389 PolarHBondContact O-N 2.8Å; A386-E390 WeakPolarHBondContact O-CB 3.1Å; A386-E390 PolarHBondContact O-N 3.4Å |
| 387 | E | 76.7 | Confident | 76.4 | Confident | 105 Ų | 105 | 77.7 Ų | 77.7 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 174 | -72.2 | 174.1 | -162.3 | 0 | 0 | 111.4 | Q383 S391 | Q383-E387 WeakPolarHBondContact CG-OE1 3.38Å; Q383-E387 PolarHBondContact NE2-OE1 3.17Å; Q383-E387 WeakPolarHBondContact O-CG 3.06Å; Q383-E387 PolarHBondContact O-N 3.03Å; E387-S391 PolarHBondContact O-N 3.28Å; E387-S391 VanDerWaalsContact O-N 3.13Å |
| 388 | R | 81.1 | Confident | 76.3 | Confident | 127 Ų | 127 | 78.9 Ų | 78.9 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 173.9 | -156 | -165.1 | 87 | -123.8 | -3.6 | 112 | E384 E385 A386 E390 S391 E392 | E384-R388 PolarHBondContact O-N 2.84Å; E384-R388 VanDerWaalsContact O-N 3.13Å; E385-R388 PolarHBondContact O-N 2.86Å; E385-R388 IonicContact OE1-NH1 3.65Å; A386-R388 VanDerWaalsContact C-N 3.31Å; A386-R388 PolarHBondContact O-N 3.45Å; R388-E390 VanDerWaalsContact C-N 3.32Å; R388-E390 PolarHBondContact O-N 2.87Å; R388-S391 PolarHBondContact O-N 3.09Å; R388-E392 IonicContact CZ-OE1 3.22Å; R388-E392 IonicContact NE-OE1 2.76Å; R388-E392 PolarHBondContact NE-OE1 3.06Å; R388-E392 IonicContact NH2-OE1 2.79Å; R388-E392 PolarHBondContact NH2-OE1 2.84Å; R388-E392 PolarHBondContact O-N 2.88Å |
| 389 | L | 76.4 | Confident | 76.2 | Confident | 26 Ų | 26 | 77 Ų | 77 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 178.1 | -72.5 | 170.1 | 0 | 0 | 0 | 112.1 | E385 A386 E392 L393 L431 | E385-L389 HydrophobicContact CG-CD1 4.2Å; E385-L389 WeakPolarHBondContact O-CG 3.4Å; E385-L389 PolarHBondContact O-N 3.3Å; A386-L389 PolarHBondContact O-N 2.8Å; L389-E392 PolarHBondContact O-N 2.74Å; L389-L393 VanDerWaalsContact O-CB 3.32Å; L389-L393 WeakPolarHBondContact O-CB 3.32Å; L389-L393 PolarHBondContact O-N 3.31Å; L389-L431 HydrophobicContact CD2-CD2 4.06Å |
| 390 | E | 74.9 | Confident | 76.2 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 173.2 | -178.5 | 162.8 | -100.1 | 0 | 0 | 112 | A386 R388 L393 K394 K435 | A386-E390 WeakPolarHBondContact O-CB 3.1Å; A386-E390 PolarHBondContact O-N 3.4Å; R388-E390 VanDerWaalsContact C-N 3.32Å; R388-E390 PolarHBondContact O-N 2.87Å; E390-L393 PolarHBondContact O-N 3.16Å; E390-K394 WeakPolarHBondContact O-CB 3.46Å; E390-K394 PolarHBondContact O-N 3.23Å; E390-K435 IonicContact OE1-NZ 3.91Å; E390-K435 PolarHBondContact OE1-NZ 2.83Å |
| 391 | S | 78.4 | Confident | 75.9 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.1 | -35.1 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 113.1 | E387 R388 G395 | E387-S391 PolarHBondContact O-N 3.28Å; E387-S391 VanDerWaalsContact O-N 3.13Å; R388-S391 PolarHBondContact O-N 3.09Å; S391-G395 PolarHBondContact O-N 3.14Å |
| 392 | E | 76.1 | Confident | 75.8 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 174.1 | -74 | -178.1 | -136.3 | 0 | 0 | 111.8 | R388 L389 G395 A396 | R388-E392 IonicContact CZ-OE1 3.22Å; R388-E392 IonicContact NE-OE1 2.76Å; R388-E392 PolarHBondContact NE-OE1 3.06Å; R388-E392 IonicContact NH2-OE1 2.79Å; R388-E392 PolarHBondContact NH2-OE1 2.84Å; R388-E392 PolarHBondContact O-N 2.88Å; L389-E392 PolarHBondContact O-N 2.74Å; E392-G395 PolarHBondContact O-N 2.56Å; E392-A396 PolarHBondContact O-N 2.87Å |
| 393 | L | 72.2 | Confident | 75.6 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 177.1 | -176.6 | 153.1 | 0 | 0 | 0 | 110.9 | L389 E390 G395 A396 E397 L431 E432 | L389-L393 VanDerWaalsContact O-CB 3.32Å; L389-L393 WeakPolarHBondContact O-CB 3.32Å; L389-L393 PolarHBondContact O-N 3.31Å; E390-L393 PolarHBondContact O-N 3.16Å; L393-G395 VanDerWaalsContact C-N 3.31Å; L393-G395 PolarHBondContact O-N 3.12Å; L393-A396 CarbonylContact O-C 3.57Å; L393-A396 WeakPolarHBondContact O-CA 3.19Å; L393-A396 WeakPolarHBondContact O-CB 3.49Å; L393-A396 PolarHBondContact O-N 2.92Å; L393-E397 HydrophobicContact CD2-CG 4.05Å; L393-E397 PolarHBondContact O-N 3.44Å; L393-L431 HydrophobicContact CD1-CB 4.17Å; L393-E432 HydrophobicContact CD1-CG 3.97Å |
| 394 | K | 77.8 | Confident | 75.1 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.8 | -177.2 | 175.4 | 174.1 | -179.7 | 0 | 112.2 | E390 A396 E397 E398 | E390-K394 WeakPolarHBondContact O-CB 3.46Å; E390-K394 PolarHBondContact O-N 3.23Å; K394-A396 VanDerWaalsContact C-N 3.29Å; K394-A396 PolarHBondContact O-N 3.06Å; K394-E397 PolarHBondContact O-N 2.94Å; K394-E398 WeakPolarHBondContact CE-OE1 3.11Å; K394-E398 WeakPolarHBondContact O-CG 3.24Å; K394-E398 PolarHBondContact O-N 3.48Å |
| 395 | G | 79.9 | Confident | 74.4 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S391 E392 L393 A399 | S391-G395 PolarHBondContact O-N 3.14Å; E392-G395 PolarHBondContact O-N 2.56Å; L393-G395 VanDerWaalsContact C-N 3.31Å; L393-G395 PolarHBondContact O-N 3.12Å; G395-A399 WeakPolarHBondContact O-CB 3.48Å; G395-A399 PolarHBondContact O-N 2.96Å |
| 396 | A | 72.6 | Confident | 73.7 | Confident | 18 Ų | 18 | 77 Ų | 77 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.1 | -36.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E392 L393 K394 K400 | E392-A396 PolarHBondContact O-N 2.87Å; L393-A396 CarbonylContact O-C 3.57Å; L393-A396 WeakPolarHBondContact O-CA 3.19Å; L393-A396 WeakPolarHBondContact O-CB 3.49Å; L393-A396 PolarHBondContact O-N 2.92Å; K394-A396 VanDerWaalsContact C-N 3.29Å; K394-A396 PolarHBondContact O-N 3.06Å; A396-K400 VanDerWaalsContact O-CB 3.28Å; A396-K400 WeakPolarHBondContact O-CB 3.12Å; A396-K400 PolarHBondContact O-N 3.21Å |
| 397 | E | 73.5 | Confident | 72.8 | Confident | 92 Ų | 92 | 78.3 Ų | 78.3 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 172.2 | -69.1 | -170.2 | 125.1 | 0 | 0 | 112 | L393 K394 A399 K400 M401 | L393-E397 HydrophobicContact CD2-CG 4.05Å; L393-E397 PolarHBondContact O-N 3.44Å; K394-E397 PolarHBondContact O-N 2.94Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 2.99Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-M401 WeakPolarHBondContact O-CB 3.4Å; E397-M401 WeakPolarHBondContact O-CG 3.4Å; E397-M401 PolarHBondContact O-N 3.24Å |
| 398 | E | 77.9 | Confident | 71.8 | Confident | 118 Ų | 118 | 81.1 Ų | 81.1 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61 | -41.4 | 176.6 | -72.7 | 176.6 | -172.9 | 0 | 0 | 111.2 | K394 M401 A402 | K394-E398 WeakPolarHBondContact CE-OE1 3.11Å; K394-E398 WeakPolarHBondContact O-CG 3.24Å; K394-E398 PolarHBondContact O-N 3.48Å; E398-M401 PolarHBondContact O-N 3.08Å; E398-A402 WeakPolarHBondContact O-CB 3.4Å; E398-A402 PolarHBondContact O-N 2.98Å |
| 399 | A | 76.1 | Confident | 70.5 | Confident | 46 Ų | 46 | 81.6 Ų | 81.6 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G395 E397 M401 A402 L403 | G395-A399 WeakPolarHBondContact O-CB 3.48Å; G395-A399 PolarHBondContact O-N 2.96Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 2.99Å; A399-M401 VanDerWaalsContact C-N 3.35Å; A399-A402 PolarHBondContact O-N 3.41Å; A399-L403 WeakPolarHBondContact O-CG 3.31Å; A399-L403 PolarHBondContact O-N 3.32Å |
| 400 | K | 75.1 | Confident | 69.2 | Low | 52 Ų | 52 | 87.1 Ų | 87.1 | 23% | 0.226 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 175.4 | 175.1 | 172.7 | 170.3 | 172.7 | 0 | 111.8 | A396 E397 L403 L404 T425 I428 | A396-K400 VanDerWaalsContact O-CB 3.28Å; A396-K400 WeakPolarHBondContact O-CB 3.12Å; A396-K400 PolarHBondContact O-N 3.21Å; E397-K400 PolarHBondContact O-N 3.43Å; K400-L403 PolarHBondContact O-N 3.33Å; K400-L404 HydrophobicContact CG-CD1 4.33Å; K400-L404 WeakPolarHBondContact O-CG 3.33Å; K400-L404 PolarHBondContact O-N 2.91Å; K400-T425 PolarHBondContact NZ-OG1 2.86Å; K400-I428 HydrophobicContact CD-CD1 3.61Å |
| 401 | M | 71.8 | Confident | 68 | Low | 120 Ų | 120 | 91 Ų | 91 | 59% | 0.591 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.8 | -39.6 | 175.4 | -74.1 | -62.5 | -65.3 | 0 | 0 | 112.5 | E397 E398 A399 L404 Q405 | E397-M401 WeakPolarHBondContact O-CB 3.4Å; E397-M401 WeakPolarHBondContact O-CG 3.4Å; E397-M401 PolarHBondContact O-N 3.24Å; E398-M401 PolarHBondContact O-N 3.08Å; A399-M401 VanDerWaalsContact C-N 3.35Å; M401-L404 PolarHBondContact O-N 3.12Å; M401-L404 HydrophobicContact SD-CD1 4.16Å; M401-Q405 PolarHBondContact O-N 3.26Å |
| 402 | A | 74.6 | Confident | 66.3 | Low | 57 Ų | 57 | 96 Ų | 96 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E398 A399 L404 Q405 Q406 | E398-A402 WeakPolarHBondContact O-CB 3.4Å; E398-A402 PolarHBondContact O-N 2.98Å; A399-A402 PolarHBondContact O-N 3.41Å; A402-L404 VanDerWaalsContact C-N 3.34Å; A402-L404 PolarHBondContact O-N 2.8Å; A402-Q405 PolarHBondContact O-N 2.66Å; A402-Q406 WeakPolarHBondContact O-CB 3.32Å; A402-Q406 PolarHBondContact O-N 3.48Å |
| 403 | L | 68.8 | Low | 65 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 27% | 0.267 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 174.8 | -73.7 | 168.7 | 0 | 0 | 0 | 112.6 | A399 K400 Q406 S407 L424 | A399-L403 WeakPolarHBondContact O-CG 3.31Å; A399-L403 PolarHBondContact O-N 3.32Å; K400-L403 PolarHBondContact O-N 3.33Å; L403-Q406 PolarHBondContact O-N 3Å; L403-S407 WeakPolarHBondContact O-CB 3.38Å; L403-S407 PolarHBondContact O-N 3.1Å; L403-L424 HydrophobicContact CD1-CD1 3.76Å |
| 404 | L | 63.8 | Low | 64.1 | Low | 73 Ų | 73 | 107.7 Ų | 107.7 | 38% | 0.382 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -45.3 | 173.6 | -76.5 | 164.2 | 0 | 0 | 0 | 112 | K400 M401 A402 Q406 S407 E408 | K400-L404 HydrophobicContact CG-CD1 4.33Å; K400-L404 WeakPolarHBondContact O-CG 3.33Å; K400-L404 PolarHBondContact O-N 2.91Å; M401-L404 PolarHBondContact O-N 3.12Å; M401-L404 HydrophobicContact SD-CD1 4.16Å; A402-L404 VanDerWaalsContact C-N 3.34Å; A402-L404 PolarHBondContact O-N 2.8Å; L404-Q406 VanDerWaalsContact C-N 3.32Å; L404-Q406 PolarHBondContact O-N 3.27Å; L404-S407 WeakPolarHBondContact O-CB 3.42Å; L404-S407 PolarHBondContact O-N 3.32Å; L404-S407 VanDerWaalsContact O-N 3.16Å; L404-E408 PolarHBondContact O-N 3.46Å |
| 405 | Q | 65.4 | Low | 62.9 | Low | 132 Ų | 132 | 109.8 Ų | 109.8 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.5 | -36.1 | 173.1 | -82.6 | -169.3 | -26.5 | 0 | 0 | 112.7 | M401 A402 S407 E408 N409 | M401-Q405 PolarHBondContact O-N 3.26Å; A402-Q405 PolarHBondContact O-N 2.66Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-E408 PolarHBondContact O-N 2.83Å; Q405-N409 PolarHBondContact O-ND2 3.03Å |
| 406 | Q | 61.4 | Low | 61.7 | Low | 116 Ų | 116 | 115.1 Ų | 115.1 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.1 | -38.7 | 173.5 | -173.1 | 174.2 | -14.4 | 0 | 0 | 111.4 | A402 L403 L404 N409 | A402-Q406 WeakPolarHBondContact O-CB 3.32Å; A402-Q406 PolarHBondContact O-N 3.48Å; L403-Q406 PolarHBondContact O-N 3Å; L404-Q406 VanDerWaalsContact C-N 3.32Å; L404-Q406 PolarHBondContact O-N 3.27Å; Q406-N409 PolarHBondContact O-N 3.16Å |
| 407 | S | 54.1 | Low | 60.9 | Low | 51 Ų | 51 | 117.8 Ų | 117.8 | 36% | 0.357 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.3 | -40.5 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 113 | L403 L404 Q405 N409 Q410 | L403-S407 WeakPolarHBondContact O-CB 3.38Å; L403-S407 PolarHBondContact O-N 3.1Å; L404-S407 WeakPolarHBondContact O-CB 3.42Å; L404-S407 PolarHBondContact O-N 3.32Å; L404-S407 VanDerWaalsContact O-N 3.16Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; S407-N409 PolarHBondContact O-N 3.21Å; S407-Q410 PolarHBondContact O-N 3.42Å |
| 408 | E | 55.3 | Low | 60.2 | Low | 164 Ų | 164 | 116.5 Ų | 116.5 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.3 | -29.7 | 176.4 | -72.9 | -168.3 | 126.7 | 0 | 0 | 112.5 | L404 Q405 | L404-E408 PolarHBondContact O-N 3.46Å; Q405-E408 PolarHBondContact O-N 2.83Å |
| 409 | N | 55.4 | Low | 59.5 | Low | 137 Ų | 137 | 115 Ų | 115 | 73% | 0.733 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -4.6 | -178.7 | -75.2 | -80.5 | 0 | 0 | 0 | 114.4 | Q405 Q406 S407 | Q405-N409 PolarHBondContact O-ND2 3.03Å; Q406-N409 PolarHBondContact O-N 3.16Å; S407-N409 PolarHBondContact O-N 3.21Å |
| 410 | Q | 48.9 | Very low | 58.9 | Low | 142 Ų | 142 | 116.9 Ų | 116.9 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | trans | -136.5 | 63.8 | -172.8 | -68.3 | -164 | -20.9 | 0 | 0 | 115.3 | S407 K412 | S407-Q410 PolarHBondContact O-N 3.42Å; Q410-K412 PolarHBondContact O-N 3.06Å | ||
| 411 | M | 48.3 | Very low | 58.3 | Low | 181 Ų | 181 | 116.4 Ų | 116.4 | 89% | 0.892 | 59% | 0.593 | S | S | * | * | trans | -71.2 | 88.4 | 165.3 | -84.4 | -141.5 | -70.2 | 0 | 0 | 112.8 | ||||
| 412 | K | 44.1 | Very low | 58.1 | Low | 193 Ų | 193 | 113.5 Ų | 113.5 | 84% | 0.839 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 173.4 | 78.6 | 138.9 | -95.4 | 162.4 | -176.7 | 176.7 | 0 | 114.1 | Q410 | Q410-K412 PolarHBondContact O-N 3.06Š|
| 413 | N | 47.8 | Very low | 58 | Low | 165 Ų | 165 | 117.3 Ų | 117.3 | 88% | 0.882 | 60% | 0.596 | S | S | * | * | 177.4 | 151.9 | 126.4 | -90 | -10.7 | 0 | 0 | 0 | 109.3 | |||||
| 414 | Q | 53.3 | Low | 58 | Low | 195 Ų | 195 | 117 Ų | 117 | 91% | 0.911 | 59% | 0.594 | S | S | * | * | trans | -103.9 | -179.8 | -169.4 | -78.4 | -173.5 | -80.1 | 0 | 0 | 114.1 | H416 | Q414-H416 PolarHBondContact O-N 3.36Š| ||
| 415 | E | 53.2 | Low | 58.4 | Low | 165 Ų | 165 | 116.6 Ų | 116.6 | 77% | 0.771 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 89.7 | -65.2 | 164 | -150.1 | 152.9 | -128.3 | 0 | 0 | 115.4 | L417 A418 | E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.4Å; E415-A418 WeakPolarHBondContact O-CB 3.17Å; E415-A418 PolarHBondContact O-N 2.9Å |
| 416 | H | 55.1 | Low | 58.8 | Low | 150 Ų | 150 | 113.5 Ų | 113.5 | 69% | 0.694 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.5 | -37.6 | -172.7 | -140.7 | -59.1 | 0 | 0 | 0 | 114.1 | Q414 A418 T419 E420 | Q414-H416 PolarHBondContact O-N 3.36Å; H416-A418 VanDerWaalsContact C-N 3.32Å; H416-A418 PolarHBondContact O-N 3.36Å; H416-T419 PolarHBondContact O-N 3.21Å; H416-E420 PolarHBondContact O-N 2.9Å |
| 417 | L | 54.7 | Low | 59.5 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 38% | 0.382 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72.3 | -24.2 | -179.3 | -148.8 | 77.3 | 0 | 0 | 0 | 113.1 | E415 L421 | E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.4Å; L417-L421 WeakPolarHBondContact O-CB 3.14Å; L417-L421 WeakPolarHBondContact O-CG 3.38Å; L417-L421 PolarHBondContact O-N 3.08Å |
| 418 | A | 58.5 | Low | 60.5 | Low | 66 Ų | 66 | 111.9 Ų | 111.9 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.4 | -34.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E415 H416 A422 | E415-A418 WeakPolarHBondContact O-CB 3.17Å; E415-A418 PolarHBondContact O-N 2.9Å; H416-A418 VanDerWaalsContact C-N 3.32Å; H416-A418 PolarHBondContact O-N 3.36Å; A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.97Å |
| 419 | T | 63.9 | Low | 61.3 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.9 | -48 | 173.5 | -47.9 | 0 | 0 | 0 | 0 | 111 | H416 L421 A422 E423 | H416-T419 PolarHBondContact O-N 3.21Å; T419-L421 PolarHBondContact O-N 3.26Å; T419-A422 PolarHBondContact O-N 3.3Å; T419-E423 WeakPolarHBondContact O-CB 3.35Å; T419-E423 PolarHBondContact O-N 2.99Å |
| 420 | E | 64.1 | Low | 62.4 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 40% | 0.397 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 178.2 | -68.1 | 179.7 | 163.3 | 0 | 0 | 112.4 | H416 A422 E423 L424 | H416-E420 PolarHBondContact O-N 2.9Å; E420-A422 VanDerWaalsContact C-N 3.35Å; E420-A422 PolarHBondContact O-N 3.28Å; E420-E423 PolarHBondContact O-N 3.15Å; E420-L424 WeakPolarHBondContact O-CB 3.45Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.37Å; E420-L424 PolarHBondContact O-N 2.71Å |
| 421 | L | 61.5 | Low | 63.5 | Low | 43 Ų | 43 | 100.2 Ų | 100.2 | 23% | 0.225 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -67.1 | -33.5 | 175.3 | -75.5 | 171 | 0 | 0 | 0 | 112.9 | L417 T419 T425 | L417-L421 WeakPolarHBondContact O-CB 3.14Å; L417-L421 WeakPolarHBondContact O-CG 3.38Å; L417-L421 PolarHBondContact O-N 3.08Å; T419-L421 PolarHBondContact O-N 3.26Å; L421-T425 VanDerWaalsContact O-CB 3.23Å; L421-T425 WeakPolarHBondContact O-CB 3.27Å; L421-T425 PolarHBondContact O-N 2.95Å; L421-T425 PolarHBondContact O-OG1 2.78Å |
| 422 | A | 67.9 | Low | 64.5 | Low | 59 Ų | 59 | 96.4 Ų | 96.4 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.1 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A418 T419 E420 T425 S426 | A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.97Å; T419-A422 PolarHBondContact O-N 3.3Å; E420-A422 VanDerWaalsContact C-N 3.35Å; E420-A422 PolarHBondContact O-N 3.28Å; A422-T425 PolarHBondContact O-N 3.37Å; A422-S426 WeakPolarHBondContact O-CB 3.36Å; A422-S426 PolarHBondContact O-N 2.74Å |
| 423 | E | 72.3 | Confident | 65.9 | Low | 137 Ų | 137 | 92.3 Ų | 92.3 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.9 | -45 | 177.3 | -173.3 | 169.3 | -157.2 | 0 | 0 | 111.5 | T419 E420 T425 S426 K427 | T419-E423 WeakPolarHBondContact O-CB 3.35Å; T419-E423 PolarHBondContact O-N 2.99Å; E420-E423 PolarHBondContact O-N 3.15Å; E423-T425 VanDerWaalsContact C-N 3.33Å; E423-T425 PolarHBondContact O-N 3.15Å; E423-S426 PolarHBondContact O-N 3.07Å; E423-K427 VanDerWaalsContact O-CB 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.47Å; E423-K427 PolarHBondContact O-N 2.73Å |
| 424 | L | 69.4 | Low | 67.1 | Low | 43 Ų | 43 | 86.5 Ų | 86.5 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 172 | -74.2 | 172.3 | 0 | 0 | 0 | 112.3 | L403 E420 K427 I428 | L403-L424 HydrophobicContact CD1-CD1 3.76Å; E420-L424 WeakPolarHBondContact O-CB 3.45Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.37Å; E420-L424 PolarHBondContact O-N 2.71Å; L424-K427 PolarHBondContact O-N 2.98Å; L424-I428 VanDerWaalsContact O-CG1 3.29Å; L424-I428 WeakPolarHBondContact O-CG1 3.4Å; L424-I428 PolarHBondContact O-N 2.79Å |
| 425 | T | 72.2 | Confident | 68 | Low | 65 Ų | 65 | 79.6 Ų | 79.6 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.9 | -36.7 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | K400 L421 A422 E423 K427 I428 S429 | K400-T425 PolarHBondContact NZ-OG1 2.86Å; L421-T425 VanDerWaalsContact O-CB 3.23Å; L421-T425 WeakPolarHBondContact O-CB 3.27Å; L421-T425 PolarHBondContact O-N 2.95Å; L421-T425 PolarHBondContact O-OG1 2.78Å; A422-T425 PolarHBondContact O-N 3.37Å; E423-T425 VanDerWaalsContact C-N 3.33Å; E423-T425 PolarHBondContact O-N 3.15Å; T425-K427 VanDerWaalsContact C-N 3.33Å; T425-I428 PolarHBondContact O-N 2.8Å; T425-S429 PolarHBondContact O-N 3.4Å |
| 426 | S | 74.3 | Confident | 68.8 | Low | 67 Ų | 67 | 77.3 Ų | 77.3 | 47% | 0.469 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 170.2 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | A422 E423 L430 | A422-S426 WeakPolarHBondContact O-CB 3.36Å; A422-S426 PolarHBondContact O-N 2.74Å; E423-S426 PolarHBondContact O-N 3.07Å; S426-L430 WeakPolarHBondContact O-CB 3.13Å; S426-L430 VanDerWaalsContact O-CG 3.26Å; S426-L430 WeakPolarHBondContact O-CG 3.32Å; S426-L430 PolarHBondContact O-N 3.32Å |
| 427 | K | 75.6 | Confident | 69.7 | Low | 123 Ų | 123 | 76.5 Ų | 76.5 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 176.7 | -173 | 176.7 | 179.2 | -177.4 | 0 | 111.8 | E423 L424 T425 L430 L431 | E423-K427 VanDerWaalsContact O-CB 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.47Å; E423-K427 PolarHBondContact O-N 2.73Å; L424-K427 PolarHBondContact O-N 2.98Å; T425-K427 VanDerWaalsContact C-N 3.33Å; K427-L430 PolarHBondContact O-N 3.35Å; K427-L431 HydrophobicContact CG-CD1 4.2Å; K427-L431 WeakPolarHBondContact O-CB 3.26Å; K427-L431 VanDerWaalsContact O-CG 3.27Å; K427-L431 WeakPolarHBondContact O-CG 3.31Å; K427-L431 PolarHBondContact O-N 2.94Å |
| 428 | I | 73.7 | Confident | 70.5 | Confident | 11 Ų | 11 | 75.9 Ų | 75.9 | 6% | 0.056 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.3 | -51.7 | 173.1 | -71.3 | 163 | 0 | 0 | 0 | 110 | K400 L424 T425 L430 L431 E432 | K400-I428 HydrophobicContact CD-CD1 3.61Å; L424-I428 VanDerWaalsContact O-CG1 3.29Å; L424-I428 WeakPolarHBondContact O-CG1 3.4Å; L424-I428 PolarHBondContact O-N 2.79Å; T425-I428 PolarHBondContact O-N 2.8Å; I428-L430 VanDerWaalsContact C-N 3.3Å; I428-L430 PolarHBondContact O-N 3.28Å; I428-L431 CarbonylContact O-C 3.5Å; I428-L431 WeakPolarHBondContact O-CA 3.42Å; I428-L431 WeakPolarHBondContact O-CB 2.92Å; I428-L431 PolarHBondContact O-N 3.18Å; I428-E432 HydrophobicContact CG2-CG 4.18Å; I428-E432 WeakPolarHBondContact O-CG 3.24Å; I428-E432 PolarHBondContact O-N 3.01Å |
| 429 | S | 73 | Confident | 70.8 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.5 | -39.8 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | T425 E432 D433 | T425-S429 PolarHBondContact O-N 3.4Å; S429-E432 PolarHBondContact O-N 3.21Å; S429-D433 PolarHBondContact O-N 3.21Å |
| 430 | L | 78.4 | Confident | 71.2 | Confident | 114 Ų | 114 | 78.8 Ų | 78.8 | 60% | 0.597 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68 | -31.6 | 174.8 | -72.5 | 168 | 0 | 0 | 0 | 113.1 | S426 K427 I428 A434 | S426-L430 WeakPolarHBondContact O-CB 3.13Å; S426-L430 VanDerWaalsContact O-CG 3.26Å; S426-L430 WeakPolarHBondContact O-CG 3.32Å; S426-L430 PolarHBondContact O-N 3.32Å; K427-L430 PolarHBondContact O-N 3.35Å; I428-L430 VanDerWaalsContact C-N 3.3Å; I428-L430 PolarHBondContact O-N 3.28Å; L430-A434 WeakPolarHBondContact O-CB 3.46Å; L430-A434 PolarHBondContact O-N 3.37Å; L430-A434 VanDerWaalsContact O-N 3.15Å |
| 431 | L | 72.3 | Confident | 71.5 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76.1 | -35 | 174.1 | -72.2 | 168.3 | 0 | 0 | 0 | 112.1 | L389 L393 K427 I428 A434 K435 | L389-L431 HydrophobicContact CD2-CD2 4.06Å; L393-L431 HydrophobicContact CD1-CB 4.17Å; K427-L431 HydrophobicContact CG-CD1 4.2Å; K427-L431 WeakPolarHBondContact O-CB 3.26Å; K427-L431 VanDerWaalsContact O-CG 3.27Å; K427-L431 WeakPolarHBondContact O-CG 3.31Å; K427-L431 PolarHBondContact O-N 2.94Å; I428-L431 CarbonylContact O-C 3.5Å; I428-L431 WeakPolarHBondContact O-CA 3.42Å; I428-L431 WeakPolarHBondContact O-CB 2.92Å; I428-L431 PolarHBondContact O-N 3.18Å; L431-A434 PolarHBondContact O-N 2.81Å; L431-K435 WeakPolarHBondContact O-CB 3.42Å; L431-K435 PolarHBondContact O-N 3.12Å |
| 432 | E | 68.9 | Low | 71.6 | Confident | 101 Ų | 101 | 77.1 Ų | 77.1 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 174.3 | -71.1 | 175.1 | 129.7 | 0 | 0 | 111.3 | L393 I428 S429 A434 K435 K436 | L393-E432 HydrophobicContact CD1-CG 3.97Å; I428-E432 HydrophobicContact CG2-CG 4.18Å; I428-E432 WeakPolarHBondContact O-CG 3.24Å; I428-E432 PolarHBondContact O-N 3.01Å; S429-E432 PolarHBondContact O-N 3.21Å; E432-A434 VanDerWaalsContact C-N 3.32Å; E432-A434 PolarHBondContact O-N 2.91Å; E432-K435 PolarHBondContact O-N 2.88Å; E432-K436 WeakPolarHBondContact O-CB 3.4Å; E432-K436 PolarHBondContact O-N 3.23Å |
| 433 | D | 73.4 | Confident | 71.6 | Confident | 106 Ų | 106 | 79.3 Ų | 79.3 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 175.8 | -83.1 | -27.6 | 0 | 0 | 0 | 111.8 | S429 K437 | S429-D433 PolarHBondContact O-N 3.21Å; D433-K437 WeakPolarHBondContact O-CB 3.46Å; D433-K437 PolarHBondContact O-N 2.91Å; D433-K437 VanDerWaalsContact O-N 3.14Å |
| 434 | A | 73.9 | Confident | 71.6 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L430 L431 E432 K437 K438 | L430-A434 WeakPolarHBondContact O-CB 3.46Å; L430-A434 PolarHBondContact O-N 3.37Å; L430-A434 VanDerWaalsContact O-N 3.15Å; L431-A434 PolarHBondContact O-N 2.81Å; E432-A434 VanDerWaalsContact C-N 3.32Å; E432-A434 PolarHBondContact O-N 2.91Å; A434-K437 PolarHBondContact O-N 3.18Å; A434-K438 PolarHBondContact O-N 2.68Å |
| 435 | K | 70.7 | Confident | 71.5 | Confident | 50 Ų | 50 | 80.1 Ų | 80.1 | 22% | 0.217 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.4 | -54.2 | 175.6 | -178.2 | -171.7 | 180 | -176.1 | 0 | 110.2 | E390 L431 E432 K437 K438 E439 | E390-K435 IonicContact OE1-NZ 3.91Å; E390-K435 PolarHBondContact OE1-NZ 2.83Å; L431-K435 WeakPolarHBondContact O-CB 3.42Å; L431-K435 PolarHBondContact O-N 3.12Å; E432-K435 PolarHBondContact O-N 2.88Å; K435-K437 VanDerWaalsContact C-N 3.29Å; K435-K437 PolarHBondContact O-N 3.09Å; K435-K438 PolarHBondContact O-N 2.73Å; K435-E439 WeakPolarHBondContact O-CB 3.21Å; K435-E439 PolarHBondContact O-N 3.31Å |
| 436 | K | 71.5 | Confident | 70.9 | Confident | 118 Ų | 118 | 81.7 Ų | 81.7 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.4 | -44.9 | -177.4 | -179.3 | -178.4 | 168.6 | -172.2 | 0 | 111.6 | E432 K438 E439 E440 | E432-K436 WeakPolarHBondContact O-CB 3.4Å; E432-K436 PolarHBondContact O-N 3.23Å; K436-K438 VanDerWaalsContact C-N 3.33Å; K436-K438 PolarHBondContact O-N 3.24Å; K436-E439 PolarHBondContact O-N 3.12Å; K436-E440 WeakPolarHBondContact CE-OE1 3.4Å; K436-E440 IonicContact NZ-OE1 2.73Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.86Å |
| 437 | K | 73.6 | Confident | 70.7 | Confident | 132 Ų | 132 | 85.9 Ų | 85.9 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | 178.3 | -170 | 177 | 178.2 | -176.2 | 0 | 112.8 | D433 A434 K435 E441 | D433-K437 WeakPolarHBondContact O-CB 3.46Å; D433-K437 PolarHBondContact O-N 2.91Å; D433-K437 VanDerWaalsContact O-N 3.14Å; A434-K437 PolarHBondContact O-N 3.18Å; K435-K437 VanDerWaalsContact C-N 3.29Å; K435-K437 PolarHBondContact O-N 3.09Å; K437-E441 WeakPolarHBondContact O-CG 3.48Å; K437-E441 PolarHBondContact O-N 2.77Å |
| 438 | K | 72.2 | Confident | 70.4 | Confident | 61 Ų | 61 | 83.7 Ų | 83.7 | 27% | 0.265 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.1 | -32 | 174.3 | -75.3 | -54.8 | -164.6 | 177.6 | 0 | 113.6 | A434 K435 K436 E441 A442 | A434-K438 PolarHBondContact O-N 2.68Å; K435-K438 PolarHBondContact O-N 2.73Å; K436-K438 VanDerWaalsContact C-N 3.33Å; K436-K438 PolarHBondContact O-N 3.24Å; K438-E441 VanDerWaalsContact CD-OE2 3.27Å; K438-E441 WeakPolarHBondContact CD-OE2 3.03Å; K438-E441 IonicContact NZ-OE2 2.59Å; K438-E441 PolarHBondContact NZ-OE2 3.25Å; K438-E441 PolarHBondContact O-N 2.73Å; K438-A442 WeakPolarHBondContact O-CB 3.27Å; K438-A442 PolarHBondContact O-N 3.16Å |
| 439 | E | 64.7 | Low | 69.7 | Low | 104 Ų | 104 | 85.2 Ų | 85.2 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.6 | -35 | 174.7 | -162.3 | 163.6 | -165.5 | 0 | 0 | 111.7 | K435 K436 N443 | K435-E439 WeakPolarHBondContact O-CB 3.21Å; K435-E439 PolarHBondContact O-N 3.31Å; K436-E439 PolarHBondContact O-N 3.12Å; E439-N443 PolarHBondContact O-N 3.45Å; E439-N443 PolarHBondContact O-ND2 3.37Å |
| 440 | E | 71.4 | Confident | 69.1 | Low | 109 Ų | 109 | 86.5 Ų | 86.5 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 169.2 | -72.1 | 172.2 | 178 | 0 | 0 | 111.8 | K436 A442 N443 E444 | K436-E440 WeakPolarHBondContact CE-OE1 3.4Å; K436-E440 IonicContact NZ-OE1 2.73Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.86Å; E440-A442 VanDerWaalsContact C-N 3.34Å; E440-A442 PolarHBondContact O-N 3.05Å; E440-N443 PolarHBondContact O-N 3.47Å; E440-E444 PolarHBondContact O-N 3.28Å |
| 441 | E | 70.4 | Confident | 68.6 | Low | 66 Ų | 66 | 85.6 Ų | 85.6 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 174.4 | -75.9 | 173 | -158.1 | 0 | 0 | 112.5 | K437 K438 N443 E444 W445 | K437-E441 WeakPolarHBondContact O-CG 3.48Å; K437-E441 PolarHBondContact O-N 2.77Å; K438-E441 VanDerWaalsContact CD-OE2 3.27Å; K438-E441 WeakPolarHBondContact CD-OE2 3.03Å; K438-E441 IonicContact NZ-OE2 2.59Å; K438-E441 PolarHBondContact NZ-OE2 3.25Å; K438-E441 PolarHBondContact O-N 2.73Å; E441-N443 PolarHBondContact O-N 2.83Å; E441-E444 PolarHBondContact O-N 2.89Å; E441-W445 PolarHBondContact O-N 2.81Å |
| 442 | A | 63.2 | Low | 68.2 | Low | 26 Ų | 26 | 86.1 Ų | 86.1 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K438 E440 W445 Q446 | K438-A442 WeakPolarHBondContact O-CB 3.27Å; K438-A442 PolarHBondContact O-N 3.16Å; E440-A442 VanDerWaalsContact C-N 3.34Å; E440-A442 PolarHBondContact O-N 3.05Å; A442-W445 PolarHBondContact O-N 2.75Å; A442-Q446 PolarHBondContact O-N 3.09Å; A442-Q446 VanDerWaalsContact O-N 3.15Å |
| 443 | N | 69.4 | Low | 67.2 | Low | 105 Ų | 105 | 88.3 Ų | 88.3 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.8 | -34.7 | 178.5 | -81.6 | -72.7 | 0 | 0 | 0 | 112.5 | E439 E440 E441 W445 Q446 Q447 | E439-N443 PolarHBondContact O-N 3.45Å; E439-N443 PolarHBondContact O-ND2 3.37Å; E440-N443 PolarHBondContact O-N 3.47Å; E441-N443 PolarHBondContact O-N 2.83Å; N443-W445 VanDerWaalsContact C-N 3.32Å; N443-W445 PolarHBondContact O-N 3.24Å; N443-Q446 WeakPolarHBondContact O-CB 3.28Å; N443-Q446 PolarHBondContact O-N 3.43Å; N443-Q447 PolarHBondContact O-N 3.18Å |
| 444 | E | 70.4 | Confident | 66.5 | Low | 119 Ų | 119 | 90.5 Ų | 90.5 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.7 | -39.6 | 172.3 | -99.9 | -154.1 | -156 | 0 | 0 | 112.4 | E440 E441 K448 | E440-E444 PolarHBondContact O-N 3.28Å; E441-E444 PolarHBondContact O-N 2.89Å; E444-K448 VanDerWaalsContact O-CD 3.29Å; E444-K448 WeakPolarHBondContact O-CD 3.49Å; E444-K448 WeakPolarHBondContact O-CE 3.4Å; E444-K448 WeakPolarHBondContact O-CG 3.42Å; E444-K448 PolarHBondContact O-N 2.99Å; E444-K448 IonicContact OE2-NZ 2.66Å; E444-K448 PolarHBondContact OE2-NZ 2.78Å |
| 445 | W | 69 | Low | 65.4 | Low | 78 Ų | 78 | 93.4 Ų | 93.4 | 30% | 0.295 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.8 | -35.8 | 177.4 | -64.2 | 124 | 0 | 0 | 0 | 112.5 | L375 R379 E441 A442 N443 Q447 K448 A449 | L375-W445 HydrophobicContact CD1-CE3 4.49Å; L375-W445 HydrophobicContact CD2-CD2 4.46Å; L375-W445 HydrophobicContact CD2-CE3 3.55Å; L375-W445 HydrophobicContact CD2-CH2 4.2Å; L375-W445 HydrophobicContact CD2-CZ3 3.41Å; L375-W445 VanDerWaalsContact CD2-CZ3 3.41Å; R379-W445 HydrophobicContact CB-CB 4.44Å; R379-W445 HydrophobicContact CG-CB 4.36Å; E441-W445 PolarHBondContact O-N 2.81Å; A442-W445 PolarHBondContact O-N 2.75Å; N443-W445 VanDerWaalsContact C-N 3.32Å; N443-W445 PolarHBondContact O-N 3.24Å; W445-Q447 VanDerWaalsContact C-N 3.34Å; W445-Q447 PolarHBondContact O-N 2.68Å; W445-K448 HydrophobicContact CE3-CD 3.56Å; W445-K448 HydrophobicContact CZ3-CD 3.72Å; W445-K448 PolarHBondContact O-N 3.42Å; W445-A449 PolarHBondContact O-N 2.95Å |
| 446 | Q | 59.5 | Low | 64.1 | Low | 99 Ų | 99 | 94.8 Ų | 94.8 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 175.8 | -166.4 | 96 | -3.5 | 0 | 0 | 112 | A442 N443 T450 | A442-Q446 PolarHBondContact O-N 3.09Å; A442-Q446 VanDerWaalsContact O-N 3.15Å; N443-Q446 WeakPolarHBondContact O-CB 3.28Å; N443-Q446 PolarHBondContact O-N 3.43Å; Q446-T450 PolarHBondContact O-OG1 2.94Å |
| 447 | Q | 69.3 | Low | 62.9 | Low | 155 Ų | 155 | 97 Ų | 97 | 72% | 0.724 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.4 | -35.1 | 178.4 | -86.6 | -172.4 | -17.7 | 0 | 0 | 113.7 | N443 W445 A449 T451 | N443-Q447 PolarHBondContact O-N 3.18Å; W445-Q447 VanDerWaalsContact C-N 3.34Å; W445-Q447 PolarHBondContact O-N 2.68Å; Q447-A449 VanDerWaalsContact C-N 3.32Å; Q447-A449 PolarHBondContact O-N 3.4Å; Q447-T451 PolarHBondContact O-OG1 2.83Å |
| 448 | K | 70.4 | Confident | 61.8 | Low | 76 Ų | 76 | 99.3 Ų | 99.3 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.9 | -25.4 | -177.3 | -66.6 | 160.7 | -166.6 | 165.7 | 0 | 112.8 | L375 E444 W445 | L375-K448 HydrophobicContact CD1-CB 4.36Å; E444-K448 VanDerWaalsContact O-CD 3.29Å; E444-K448 WeakPolarHBondContact O-CD 3.49Å; E444-K448 WeakPolarHBondContact O-CE 3.4Å; E444-K448 WeakPolarHBondContact O-CG 3.42Å; E444-K448 PolarHBondContact O-N 2.99Å; E444-K448 IonicContact OE2-NZ 2.66Å; E444-K448 PolarHBondContact OE2-NZ 2.78Å; W445-K448 HydrophobicContact CE3-CD 3.56Å; W445-K448 HydrophobicContact CZ3-CD 3.72Å; W445-K448 PolarHBondContact O-N 3.42Å |
| 449 | A | 57.3 | Low | 60.5 | Low | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.1 | -44.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W445 Q447 T451 V452 | W445-A449 PolarHBondContact O-N 2.95Å; Q447-A449 VanDerWaalsContact C-N 3.32Å; Q447-A449 PolarHBondContact O-N 3.4Å; A449-T451 VanDerWaalsContact C-N 3.3Å; A449-T451 PolarHBondContact O-N 3.24Å; A449-V452 PolarHBondContact O-N 3.48Å |
| 450 | T | 60.3 | Low | 59.4 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | -173.6 | -41.8 | 0 | 0 | 0 | 0 | 112.9 | Q446 V452 Q453 | Q446-T450 PolarHBondContact O-OG1 2.94Å; T450-V452 VanDerWaalsContact C-N 3.26Å; T450-V452 PolarHBondContact O-N 3.23Å; T450-Q453 PolarHBondContact O-N 2.88Å |
| 451 | T | 68.1 | Low | 57.8 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -27.4 | -175 | -26.2 | 0 | 0 | 0 | 0 | 113.2 | Q447 A449 Q453 | Q447-T451 PolarHBondContact O-OG1 2.83Å; A449-T451 VanDerWaalsContact C-N 3.3Å; A449-T451 PolarHBondContact O-N 3.24Å; T451-Q453 VanDerWaalsContact C-N 3.31Å |
| 452 | V | 64.5 | Low | 56.2 | Low | 39 Ų | 39 | 115.3 Ų | 115.3 | 24% | 0.236 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -76.1 | -22 | -178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | Q368 A372 A449 T450 | Q368-V452 HydrophobicContact CB-CG1 3.92Å; A372-V452 HydrophobicContact CB-CG1 4.4Å; A449-V452 PolarHBondContact O-N 3.48Å; T450-V452 VanDerWaalsContact C-N 3.26Å; T450-V452 PolarHBondContact O-N 3.23Å |
| 453 | Q | 48.6 | Very low | 54.7 | Low | 147 Ų | 147 | 122.2 Ų | 122.2 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82.5 | -24.4 | -169.4 | -162.7 | 168.5 | 4.6 | 0 | 0 | 113.7 | T450 T451 | T450-Q453 PolarHBondContact O-N 2.88Å; T451-Q453 VanDerWaalsContact C-N 3.31Å |
| 454 | E | 57.3 | Low | 52.9 | Low | 151 Ų | 151 | 126.5 Ų | 126.5 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -80.3 | -24.2 | -174.3 | -61.2 | -170.9 | 147.4 | 0 | 0 | 114 | L456 | E454-L456 VanDerWaalsContact C-N 3.35Š|
| 455 | D | 52.7 | Low | 51.2 | Low | 105 Ų | 105 | 127.2 Ų | 127.2 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -15.6 | -178.8 | -80.7 | -34.4 | 0 | 0 | 0 | 113.8 | ||
| 456 | L | 42.5 | Very low | 49.6 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 41% | 0.414 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -29.2 | -174.8 | 173.6 | 63.8 | 0 | 0 | 0 | 114.4 | L365 E454 | L365-L456 HydrophobicContact CD1-CD1 3.92Å; L365-L456 HydrophobicContact CD2-CD1 3.77Å; L365-L456 HydrophobicContact CG-CD1 4.32Å; E454-L456 VanDerWaalsContact C-N 3.35Å |
| 457 | E | 46.1 | Very low | 48.6 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -83.9 | -25.6 | -168.3 | -62.9 | -156 | 129.6 | 0 | 0 | 114.3 | T459 | E457-T459 VanDerWaalsContact C-N 3.3Å; E457-T459 PolarHBondContact O-N 3.24Å |
| 458 | K | 51.7 | Low | 47.1 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -24.8 | -173.2 | -86.7 | 172.7 | -177.7 | 151.5 | 0 | 115.1 | K460 | K458-K460 VanDerWaalsContact C-N 3.34Å; K458-K460 PolarHBondContact O-N 3.38Å |
| 459 | T | 44.6 | Very low | 46 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 12.3 | -162.1 | 5.3 | 0 | 0 | 0 | 0 | 115.1 | E457 | E457-T459 VanDerWaalsContact C-N 3.3Å; E457-T459 PolarHBondContact O-N 3.24Å |
| 460 | K | 40.4 | Very low | 44.8 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -108.4 | -9.1 | -160.7 | -110 | 172.5 | -176.9 | 164.4 | 0 | 118.2 | K458 | K458-K460 VanDerWaalsContact C-N 3.34Å; K458-K460 PolarHBondContact O-N 3.38Å |
| 461 | E | 39.3 | Very low | 43.6 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -109.6 | -11.6 | -153.5 | -141.8 | 172.5 | -175.8 | 0 | 0 | 117.9 | L463 | E461-L463 PolarHBondContact O-N 3.5Š| ||
| 462 | E | 36 | Very low | 42 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | -93.5 | 16.6 | -156 | -62 | -162.3 | 119.8 | 0 | 0 | 119.8 | ||||
| 463 | L | 32.4 | Very low | 40.8 | Very low | 171 Ų | 171 | 151 Ų | 151 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -125.7 | 87.6 | -164.2 | -95.7 | 161.2 | 0 | 0 | 0 | 118.2 | E461 | E461-L463 PolarHBondContact O-N 3.5Š| ||
| 464 | K | 31.2 | Very low | 40 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -173.4 | 139.8 | 161.6 | -119.5 | 171.6 | -179 | 172.1 | 0 | 120.6 | ||||
| 465 | N | 34.1 | Very low | 39.4 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 118.2 | 151.5 | 140 | -60.7 | -32.8 | 0 | 0 | 0 | 124.3 | ||||
| 466 | K | 35.7 | Very low | 38.6 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 108.3 | 168 | 167.7 | -52.8 | 148.6 | -168 | 169.1 | 0 | 116.3 | ||||
| 467 | V | 39.2 | Very low | 38.2 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | cis | -155.5 | 168.8 | 10.6 | -144.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 468 | M | 38 | Very low | 37.7 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -161.1 | 174.4 | 177.2 | -66.5 | -166 | 84.2 | 0 | 0 | 113 | ||||
| 469 | A | 45.6 | Very low | 36.8 | Very low | 94 Ų | 94 | 149 Ų | 149 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | cis | -169 | -178.3 | -17.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 470 | A | 32.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -156.1 | -167.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 471 | H | 35.5 | Very low | 36.2 | Very low | 178 Ų | 178 | 151.9 Ų | 151.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -148.3 | -172.5 | -165.9 | -160.2 | 24.3 | 0 | 0 | 0 | 114.1 | ||||
| 472 | V | 34.7 | Very low | 35.9 | Very low | 101 Ų | 101 | 151.6 Ų | 151.6 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | cis | -162.7 | -160.8 | 22.9 | -146.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 473 | Q | 38.8 | Very low | 35.9 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | cis | -170.2 | 175.1 | -11.5 | -153.1 | 156.7 | -111.2 | 0 | 0 | 115.1 | ||||
| 474 | E | 31.3 | Very low | 36.5 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 133.8 | -141.9 | 137 | -103.9 | 157.6 | -86.8 | 0 | 0 | 129.6 | ||||
| 475 | P | 44.5 | Very low | 36.7 | Very low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | -137.7 | -162.8 | -124.7 | 41.2 | -20.8 | 0 | 0 | 0 | 124 | |||||
| 476 | L | 36.2 | Very low | 36.9 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | 98.2 | 163.4 | 165 | -48.8 | -172.9 | 0 | 0 | 0 | 121 | ||||
| 477 | N | 33.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | cis | -170.4 | -173.1 | -22.1 | -108.5 | 102.6 | 0 | 0 | 0 | 109.7 | E479 | N477-E479 PolarHBondContact ND2-OE1 3.43Š| ||
| 478 | A | 35.9 | Very low | 37.4 | Very low | 84 Ų | 84 | 147 Ų | 147 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | cis | -166.7 | -161.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 479 | E | 32.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | -158.5 | 145.3 | -86.6 | -78.4 | 141.8 | -119.4 | 0 | 0 | 118.3 | N477 | N477-E479 PolarHBondContact ND2-OE1 3.43Š| |||
| 480 | N | 32.8 | Very low | 37.5 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | 74.5 | 174.2 | 147.4 | -81.1 | 14.5 | 0 | 0 | 0 | 132 | ||||
| 481 | E | 40.1 | Very low | 37.8 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -127.3 | 178.3 | -163.4 | -44.4 | 174.2 | 128.7 | 0 | 0 | 117.6 | ||||
| 482 | H | 33.5 | Very low | 38.9 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -176 | -162.8 | 138.8 | -124.4 | -35.3 | 0 | 0 | 0 | 120.7 | ||||
| 483 | D | 36.3 | Very low | 39.1 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -140.4 | -171.3 | -140.4 | -165.9 | 16.9 | 0 | 0 | 0 | 120.3 | ||||
| 484 | E | 43.4 | Very low | 39.5 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -90.1 | 177.5 | -165.4 | -59.9 | -171.3 | 160.6 | 0 | 0 | 122 | ||||
| 485 | N | 35.8 | Very low | 40.6 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -171.4 | 174.1 | 156.5 | -132.1 | -37.6 | 0 | 0 | 0 | 119.5 | ||||
| 486 | D | 39.4 | Very low | 41.8 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -145.2 | -173.5 | -174.2 | -164.3 | 13 | 0 | 0 | 0 | 117.6 | ||||
| 487 | E | 42.5 | Very low | 42.7 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -113.5 | -162.1 | -158.9 | -100 | -160.5 | 171.5 | 0 | 0 | 121.8 | ||||
| 488 | S | 43 | Very low | 43.4 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -161.3 | 174.2 | -162 | 71.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 489 | S | 43.2 | Very low | 44 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | trans | 168.9 | -177.3 | 143.6 | 55.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 490 | A | 42 | Very low | 44.5 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 69% | 0.693 | S | S | * | * | trans | -158.2 | 170.9 | -159.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 491 | E | 39.5 | Very low | 45.2 | Very low | 201 Ų | 201 | 119.3 Ų | 119.3 | 94% | 0.939 | 69% | 0.686 | S | S | * | * | trans | -132.8 | 179.5 | 162.9 | -151.7 | -170 | -142.9 | 0 | 0 | 110.8 | ||||
| 492 | A | 57.8 | Low | 46 | Very low | 90 Ų | 90 | 114.8 Ų | 114.8 | 74% | 0.744 | 66% | 0.661 | S | S | * | * | trans | -141.6 | 62.6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 493 | S | 38.5 | Very low | 47.2 | Very low | 95 Ų | 95 | 115.7 Ų | 115.7 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | trans | -91.4 | 139.9 | 145.8 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | E495 | S493-E495 VanDerWaalsContact C-N 3.29Å; S493-E495 PolarHBondContact O-N 3.07Å; S493-E495 VanDerWaalsContact O-N 3.17Å | ||
| 494 | A | 47.9 | Very low | 48.8 | Very low | 16 Ų | 16 | 112.4 Ų | 112.4 | 13% | 0.132 | 65% | 0.645 | C | S | . | * | trans | -87.2 | 66.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N247 M285 F496 | N247-A494 PolarHBondContact ND2-O 2.91Å; M285-A494 HydrophobicContact CE-CB 4.1Å; M285-A494 HydrophobicContact CG-CB 3.9Å; M285-A494 HydrophobicContact SD-CB 4.06Å; A494-F496 HydrophobicContact CB-CD1 4.41Å; A494-F496 HydrophobicContact CB-CE1 4.01Å; A494-F496 PolarHBondContact O-N 2.7Å | ||
| 495 | E | 55 | Low | 50.4 | Low | 156 Ų | 156 | 109.9 Ų | 109.9 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | B | Isolated β-bridge | trans | -74.2 | 116.3 | 152.6 | -69.6 | -147.9 | 145.3 | 0 | 0 | 107.7 | S493 T497 | S493-E495 VanDerWaalsContact C-N 3.29Å; S493-E495 PolarHBondContact O-N 3.07Å; S493-E495 VanDerWaalsContact O-N 3.17Å; E495-T497 PolarHBondContact O-N 2.69Å |
| 496 | F | 68.7 | Low | 52.4 | Low | 20 Ų | 20 | 105.2 Ų | 105.2 | 9% | 0.088 | 61% | 0.609 | C | S | . | * | trans | -78.8 | 122 | 175.7 | -69 | -21.1 | 0 | 0 | 0 | 109 | I245 R246 I248 M285 H288 A494 S498 | I245-F496 HydrophobicContact CB-CD2 4.43Å; I245-F496 HydrophobicContact CG2-CD2 3.89Å; I245-F496 HydrophobicContact CG2-CE2 3.88Å; R246-F496 WeakPolarHBondContact O-CB 3.33Å; R246-F496 PolarHBondContact O-N 3.31Å; I248-F496 HydrophobicContact CD1-CE2 3.63Å; I248-F496 HydrophobicContact CD1-CZ 3.91Å; I248-F496 HydrophobicContact CG1-CE2 3.8Å; I248-F496 HydrophobicContact CG1-CZ 4.2Å; M285-F496 HydrophobicContact CG-CE1 4.45Å; H288-F496 HydrophobicContact CB-CD2 4.37Å; H288-F496 HydrophobicContact CB-CE1 4.02Å; H288-F496 HydrophobicContact CB-CE2 3.81Å; H288-F496 HydrophobicContact CB-CZ 3.61Å; H288-F496 AromaticContact CD2-CD2 3.33Å; H288-F496 WeakPolarHBondContact CD2-CD2 3.47Å; H288-F496 AromaticContact CD2-CE2 3.56Å; H288-F496 AromaticContact CD2-CG 3.79Å; H288-F496 WeakPolarHBondContact CE1-CB 3.43Å; H288-F496 AromaticContact CE1-CD1 3.7Å; H288-F496 AromaticContact CE1-CD2 3.7Å; H288-F496 AromaticContact CE1-CG 3.3Å; H288-F496 WeakPolarHBondContact CE1-CG 3.04Å; H288-F496 AromaticContact CG-CD1 3.88Å; H288-F496 AromaticContact CG-CD2 3.55Å; H288-F496 AromaticContact CG-CE1 3.81Å; H288-F496 AromaticContact CG-CE2 3.49Å; H288-F496 VanDerWaalsContact CG-CE2 3.49Å; H288-F496 AromaticContact CG-CG 3.75Å; H288-F496 AromaticContact CG-CZ 3.63Å; H288-F496 AromaticContact ND1-CD1 3.4Å; H288-F496 WeakPolarHBondContact ND1-CD1 3.36Å; H288-F496 AromaticContact ND1-CD2 3.76Å; H288-F496 AromaticContact ND1-CE1 3.69Å; H288-F496 AromaticContact ND1-CG 3.44Å; H288-F496 WeakPolarHBondContact ND1-CG 3.31Å; H288-F496 AromaticContact NE2-CD2 3.44Å; H288-F496 WeakPolarHBondContact NE2-CD2 3.43Å; H288-F496 AromaticContact NE2-CG 3.52Å; A494-F496 HydrophobicContact CB-CD1 4.41Å; A494-F496 HydrophobicContact CB-CE1 4.01Å; A494-F496 PolarHBondContact O-N 2.7Å; F496-S498 PolarHBondContact O-N 2.9Å | ||
| 497 | T | 55.8 | Low | 54.3 | Low | 88 Ų | 88 | 98.6 Ų | 98.6 | 54% | 0.54 | 57% | 0.573 | S | S | . | * | trans | -50.4 | 110.7 | 177.3 | 49.8 | 0 | 0 | 0 | 0 | 110 | M292 E495 A499 | M292-T497 WeakPolarHBondContact CE-O 3Å; E495-T497 PolarHBondContact O-N 2.69Å; T497-A499 PolarHBondContact O-N 3.43Å | ||
| 498 | S | 48.4 | Very low | 56.3 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | trans | -58.4 | 127.2 | -165.6 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | F496 A500 | F496-S498 PolarHBondContact O-N 2.9Å; S498-A500 PolarHBondContact O-N 2.98Å | ||
| 499 | A | 48.2 | Very low | 58.4 | Low | 22 Ų | 22 | 95.8 Ų | 95.8 | 18% | 0.182 | 55% | 0.547 | C | S | . | . | trans | -70.6 | 20.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I260 M292 T497 T501 Y502 | I260-A499 HydrophobicContact CD1-CB 4.32Å; M292-A499 HydrophobicContact CE-CB 4.45Å; T497-A499 PolarHBondContact O-N 3.43Å; A499-T501 PolarHBondContact O-N 2.86Å; A499-Y502 HydrophobicContact CB-CD2 4.31Å; A499-Y502 PolarHBondContact O-N 2.99Å | ||
| 500 | A | 43.5 | Very low | 60.7 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 72% | 0.719 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -9.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S498 | S498-A500 PolarHBondContact O-N 2.98Š|
| 501 | T | 47 | Very low | 63.2 | Low | 123 Ų | 123 | 90.2 Ų | 90.2 | 76% | 0.755 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -10.5 | -179.1 | -29.5 | 0 | 0 | 0 | 0 | 113.3 | A499 | A499-T501 PolarHBondContact O-N 2.86Š|
| 502 | Y | 56.5 | Low | 65.9 | Low | 92 Ų | 92 | 81.2 Ų | 81.2 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | trans | -93.2 | 120 | -174.4 | -58.1 | -61.4 | 0 | 0 | 0 | 110.7 | M292 K296 A499 | M292-Y502 HydrophobicContact CE-CD2 3.69Å; M292-Y502 HydrophobicContact CE-CE2 3.51Å; K296-Y502 HydrophobicContact CG-CE1 4.49Å; A499-Y502 HydrophobicContact CB-CD2 4.31Å; A499-Y502 PolarHBondContact O-N 2.99Å | ||
| 503 | K | 58 | Low | 67.6 | Low | 198 Ų | 198 | 78 Ų | 78 | 86% | 0.861 | 42% | 0.418 | S | S | * | . | trans | -96.8 | -12.7 | -178 | -67.3 | -175.8 | 177.7 | -179.5 | 0 | 114.1 | R505 | K503-R505 PolarHBondContact O-N 2.86Š| ||
| 504 | D | 70 | Confident | 70.2 | Confident | 72 Ų | 72 | 74.8 Ų | 74.8 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -70.5 | 116.6 | 179 | -178.3 | 10.3 | 0 | 0 | 0 | 110.4 | R295 S506 | R295-D504 HydrophobicContact CG-CB 4.2Å; D504-S506 VanDerWaalsContact OD1-CB 3.28Å; D504-S506 WeakPolarHBondContact OD1-CB 3.39Å; D504-S506 PolarHBondContact OD1-N 3.35Å; D504-S506 PolarHBondContact OD1-OG 3.47Å | ||
| 505 | R | 78 | Confident | 72.3 | Confident | 123 Ų | 123 | 77.3 Ų | 77.3 | 46% | 0.464 | 41% | 0.406 | S | S | . | . | trans | -131.9 | 29.4 | 177.6 | -71.5 | -179.1 | 169.6 | -123.4 | -0.7 | 110.5 | K503 E507 E508 | K503-R505 PolarHBondContact O-N 2.86Å; R505-E507 VanDerWaalsContact CA-OE2 3.28Å; R505-E507 WeakPolarHBondContact CA-OE2 3.39Å; R505-E507 PolarHBondContact O-N 3.41Å; R505-E508 HydrophobicContact CB-CG 4.22Å; R505-E508 IonicContact CZ-OE1 3.51Å; R505-E508 IonicContact NE-OE1 3.33Å; R505-E508 IonicContact NH1-OE1 3.46Å; R505-E508 PolarHBondContact NH1-OE1 3.11Å; R505-E508 IonicContact NH1-OE2 3.66Å; R505-E508 WeakPolarHBondContact O-CB 3.45Å; R505-E508 PolarHBondContact O-N 2.72Å | ||
| 506 | S | 77.6 | Confident | 74.1 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.3 | -178.9 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | D504 E508 | D504-S506 VanDerWaalsContact OD1-CB 3.28Å; D504-S506 WeakPolarHBondContact OD1-CB 3.39Å; D504-S506 PolarHBondContact OD1-N 3.35Å; D504-S506 PolarHBondContact OD1-OG 3.47Å; S506-E508 VanDerWaalsContact C-N 3.28Å; S506-E508 PolarHBondContact O-N 2.91Å |
| 507 | E | 80 | Confident | 75.3 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.075 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.7 | 171.1 | 79.3 | -85.8 | -152.5 | 0 | 0 | 114.1 | L223 Y291 R295 R505 | L223-E507 HydrophobicContact CD2-CB 3.98Å; Y291-E507 WeakPolarHBondContact CE2-OE1 3.45Å; Y291-E507 PolarHBondContact OH-OE1 2.78Å; R295-E507 IonicContact CZ-OE2 3.9Å; R295-E507 IonicContact NE-OE1 2.81Å; R295-E507 IonicContact NE-OE2 3.97Å; R295-E507 IonicContact NH2-OE1 2.76Å; R295-E507 IonicContact NH2-OE2 3.52Å; R295-E507 PolarHBondContact NH2-OE2 3.49Å; R505-E507 VanDerWaalsContact CA-OE2 3.28Å; R505-E507 WeakPolarHBondContact CA-OE2 3.39Å; R505-E507 PolarHBondContact O-N 3.41Å |
| 508 | E | 83.9 | Confident | 77.1 | Confident | 72 Ų | 72 | 77.6 Ų | 77.6 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -30.9 | -179.2 | -64.3 | -177.6 | -178 | 0 | 0 | 111.9 | R505 S506 R562 | R505-E508 HydrophobicContact CB-CG 4.22Å; R505-E508 IonicContact CZ-OE1 3.51Å; R505-E508 IonicContact NE-OE1 3.33Å; R505-E508 IonicContact NH1-OE1 3.46Å; R505-E508 PolarHBondContact NH1-OE1 3.11Å; R505-E508 IonicContact NH1-OE2 3.66Å; R505-E508 WeakPolarHBondContact O-CB 3.45Å; R505-E508 PolarHBondContact O-N 2.72Å; S506-E508 VanDerWaalsContact C-N 3.28Å; S506-E508 PolarHBondContact O-N 2.91Å; E508-R562 VanDerWaalsContact O-CD 3.28Å; E508-R562 WeakPolarHBondContact O-CD 3.35Å; E508-R562 WeakPolarHBondContact O-CG 3.19Å; E508-R562 PolarHBondContact O-NH1 2.6Å |
| 509 | E | 86.9 | Confident | 79.2 | Confident | 167 Ų | 167 | 80 Ų | 80 | 78% | 0.78 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -87.7 | -3.5 | -179.9 | -61.9 | -172 | 162.5 | 0 | 0 | 113.3 | ||
| 510 | R | 92.1 | Very high | 81.3 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | trans | -62.7 | 139.2 | -169 | -163.4 | 165.2 | -179.9 | -149.3 | -3.2 | 113.9 | E87 D88 Y558 R562 | E87-R510 PolarHBondContact O-NH1 3.31Å; E87-R510 PolarHBondContact O-NH2 2.97Å; D88-R510 IonicContact OD2-CZ 2.73Å; D88-R510 IonicContact OD2-NE 3.69Å; D88-R510 PolarHBondContact OD2-NE 2.97Å; D88-R510 IonicContact OD2-NH2 3.54Å; D88-R510 PolarHBondContact OD2-NH2 3.47Å; R510-Y558 HydrophobicContact CB-CD1 4.09Å; R510-Y558 HydrophobicContact CB-CE1 4.46Å; R510-Y558 HydrophobicContact CB-CG 4.22Å; R510-Y558 HydrophobicContact CG-CD1 4.13Å; R510-Y558 HydrophobicContact CG-CD2 4.36Å; R510-Y558 HydrophobicContact CG-CE1 4.04Å; R510-Y558 HydrophobicContact CG-CE2 4.25Å; R510-Y558 HydrophobicContact CG-CG 4.31Å; R510-Y558 VanDerWaalsContact CZ-OH 3.28Å; R510-Y558 PolarHBondContact NH1-OH 2.72Å; R510-Y558 VanDerWaalsContact O-CB 3.23Å; R510-Y558 WeakPolarHBondContact O-CB 3.39Å; R510-R562 PolarHBondContact O-NH1 3.04Å; R510-R562 PolarHBondContact O-NH2 2.95Å | ||
| 511 | M | 94.1 | Very high | 83.7 | Confident | 91 Ų | 91 | 79.9 Ų | 79.9 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | trans | -118.7 | 154.5 | 174.7 | -60.2 | -173.2 | -63.3 | 0 | 0 | 110.2 | E515 K516 | M511-E515 HydrophobicContact CB-CB 4.2Å; M511-K516 HydrophobicContact CB-CG 4.4Å; M511-K516 HydrophobicContact CE-CG 4.39Å; M511-K516 WeakPolarHBondContact O-CE 3.13Å; M511-K516 PolarHBondContact O-NZ 3.04Å | ||
| 512 | T | 95.4 | Very high | 86 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 8% | 0.08 | 37% | 0.368 | C | S | . | . | trans | -65.9 | 155.8 | 173.8 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | D197 A514 E515 K516 D556 Y558 | D197-T512 HydrophobicContact CB-CG2 4.14Å; D197-T512 WeakPolarHBondContact OD2-CA 3.44Å; D197-T512 WeakPolarHBondContact OD2-CB 3.22Å; T512-A514 PolarHBondContact O-N 2.98Å; T512-E515 WeakPolarHBondContact CB-OE2 3.22Å; T512-E515 PolarHBondContact N-OE2 3.21Å; T512-E515 PolarHBondContact O-N 2.78Å; T512-E515 VanDerWaalsContact O-N 3.12Å; T512-E515 VanDerWaalsContact OG1-CG 3.24Å; T512-E515 WeakPolarHBondContact OG1-CG 3.45Å; T512-E515 PolarHBondContact OG1-N 3.23Å; T512-E515 PolarHBondContact OG1-OE2 3.12Å; T512-K516 WeakPolarHBondContact O-CG 3.41Å; T512-K516 PolarHBondContact O-N 3.38Å; T512-K516 VanDerWaalsContact O-N 3.09Å; T512-D556 HydrophobicContact CG2-CB 4.06Å; T512-Y558 HydrophobicContact CG2-CD2 3.78Å; T512-Y558 HydrophobicContact CG2-CE2 3.89Å | ||
| 513 | E | 94.6 | Very high | 87.8 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.7 | -36.4 | 170.6 | -170.4 | 59 | -158.1 | 0 | 0 | 110.4 | K193 D197 E515 K516 N517 L520 | K193-E513 HydrophobicContact CB-CG 4.4Å; D197-E513 PolarHBondContact OD2-N 2.97Å; E513-E515 PolarHBondContact O-N 2.69Å; E513-K516 PolarHBondContact O-N 3.4Å; E513-K516 VanDerWaalsContact O-N 3.16Å; E513-N517 HydrophobicContact CG-CB 4.32Å; E513-N517 WeakPolarHBondContact O-CB 3.41Å; E513-N517 PolarHBondContact O-N 3.3Å; E513-N517 WeakPolarHBondContact OE1-CB 3.04Å; E513-N517 PolarHBondContact OE1-ND2 2.76Å; E513-L520 HydrophobicContact CB-CD2 3.85Å; E513-L520 HydrophobicContact CG-CD2 3.56Å |
| 514 | A | 92.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -19.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T512 L520 L524 | T512-A514 PolarHBondContact O-N 2.98Å; A514-L520 HydrophobicContact CB-CD2 4.25Å; A514-L520 HydrophobicContact CB-CG 4.49Å; A514-L524 HydrophobicContact CB-CD1 4.14Å |
| 515 | E | 92.6 | Very high | 90.8 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -89.3 | -32.9 | 170.7 | -73.2 | 166 | 118.1 | 0 | 0 | 112.5 | M511 T512 E513 K559 | M511-E515 HydrophobicContact CB-CB 4.2Å; T512-E515 WeakPolarHBondContact CB-OE2 3.22Å; T512-E515 PolarHBondContact N-OE2 3.21Å; T512-E515 PolarHBondContact O-N 2.78Å; T512-E515 VanDerWaalsContact O-N 3.12Å; T512-E515 VanDerWaalsContact OG1-CG 3.24Å; T512-E515 WeakPolarHBondContact OG1-CG 3.45Å; T512-E515 PolarHBondContact OG1-N 3.23Å; T512-E515 PolarHBondContact OG1-OE2 3.12Å; E513-E515 PolarHBondContact O-N 2.69Å; E515-K559 IonicContact OE1-NZ 2.7Å; E515-K559 PolarHBondContact OE1-NZ 3.06Å |
| 516 | K | 92.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 65.3 Ų | 65.3 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.8 | -31.6 | 177.9 | -67 | 160 | 176.6 | 156.9 | 0 | 112.8 | M511 T512 E513 | M511-K516 HydrophobicContact CB-CG 4.4Å; M511-K516 HydrophobicContact CE-CG 4.39Å; M511-K516 WeakPolarHBondContact O-CE 3.13Å; M511-K516 PolarHBondContact O-NZ 3.04Å; T512-K516 WeakPolarHBondContact O-CG 3.41Å; T512-K516 PolarHBondContact O-N 3.38Å; T512-K516 VanDerWaalsContact O-N 3.09Å; E513-K516 PolarHBondContact O-N 3.4Å; E513-K516 VanDerWaalsContact O-N 3.16Å |
| 517 | N | 93.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 61.9 Ų | 61.9 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | trans | -122.1 | 96.7 | -161 | -171.5 | -27.7 | 0 | 0 | 0 | 111.1 | E513 R519 L520 Q521 | E513-N517 HydrophobicContact CG-CB 4.32Å; E513-N517 WeakPolarHBondContact O-CB 3.41Å; E513-N517 PolarHBondContact O-N 3.3Å; E513-N517 WeakPolarHBondContact OE1-CB 3.04Å; E513-N517 PolarHBondContact OE1-ND2 2.76Å; N517-R519 PolarHBondContact O-N 2.81Å; N517-R519 PolarHBondContact OD1-N 2.85Å; N517-L520 HydrophobicContact CB-CB 3.97Å; N517-L520 WeakPolarHBondContact O-CB 3.34Å; N517-L520 PolarHBondContact O-N 3.41Å; N517-L520 VanDerWaalsContact O-N 3.1Å; N517-L520 PolarHBondContact OD1-N 3.3Å; N517-L520 VanDerWaalsContact OD1-N 3.16Å; N517-Q521 PolarHBondContact O-N 3.04Å | ||
| 518 | E | 92.8 | Very high | 93.2 | Very high | 125 Ų | 125 | 63.4 Ų | 63.4 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.7 | -28.8 | -177.4 | -156.2 | -154.4 | 177.9 | 0 | 0 | 112.8 | K522 | E518-K522 VanDerWaalsContact CD-CE 3.49Å; E518-K522 WeakPolarHBondContact O-CB 3.41Å; E518-K522 WeakPolarHBondContact O-CD 3.35Å; E518-K522 VanDerWaalsContact O-CG 3.27Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.09Å; E518-K522 VanDerWaalsContact O-N 3.08Å; E518-K522 WeakPolarHBondContact OE1-CE 3.23Å; E518-K522 IonicContact OE1-NZ 2.7Å; E518-K522 PolarHBondContact OE1-NZ 3.16Å; E518-K522 IonicContact OE2-NZ 3.08Å; E518-K522 PolarHBondContact OE2-NZ 3.42Å |
| 519 | R | 93.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -49 | 173.8 | -175.9 | 177.1 | -177.8 | -154.3 | -0.4 | 110.3 | E178 N517 Q521 K522 H523 | E178-R519 PolarHBondContact O-NH2 2.84Å; E178-R519 IonicContact OE2-CZ 2.78Å; E178-R519 IonicContact OE2-NH2 3.83Å; E178-R519 PolarHBondContact OE2-NH2 3.16Å; N517-R519 PolarHBondContact O-N 2.81Å; N517-R519 PolarHBondContact OD1-N 2.85Å; R519-Q521 VanDerWaalsContact C-N 3.32Å; R519-Q521 PolarHBondContact O-N 2.91Å; R519-K522 PolarHBondContact O-N 2.88Å; R519-H523 WeakPolarHBondContact CG-NE2 3.24Å; R519-H523 PolarHBondContact NE-CE1 3.15Å; R519-H523 PolarHBondContact NE-NE2 2.93Å; R519-H523 PolarHBondContact O-CD2 3.36Å; R519-H523 VanDerWaalsContact O-CG 3.31Å; R519-H523 PolarHBondContact O-N 2.95Å |
| 520 | L | 93.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 175.8 | 175.7 | 60.7 | 0 | 0 | 0 | 111.7 | L124 I194 E513 A514 N517 K522 H523 L524 | L124-L520 HydrophobicContact CD2-CD1 3.28Å; I194-L520 HydrophobicContact CD1-CD1 3.75Å; I194-L520 HydrophobicContact CD1-CD2 4.41Å; I194-L520 HydrophobicContact CG1-CD1 4.06Å; I194-L520 HydrophobicContact CG1-CD2 3.87Å; E513-L520 HydrophobicContact CB-CD2 3.85Å; E513-L520 HydrophobicContact CG-CD2 3.56Å; A514-L520 HydrophobicContact CB-CD2 4.25Å; A514-L520 HydrophobicContact CB-CG 4.49Å; N517-L520 HydrophobicContact CB-CB 3.97Å; N517-L520 WeakPolarHBondContact O-CB 3.34Å; N517-L520 PolarHBondContact O-N 3.41Å; N517-L520 VanDerWaalsContact O-N 3.1Å; N517-L520 PolarHBondContact OD1-N 3.3Å; N517-L520 VanDerWaalsContact OD1-N 3.16Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 2.72Å; L520-H523 PolarHBondContact O-N 2.85Å; L520-L524 HydrophobicContact CD1-CD1 3.93Å; L520-L524 HydrophobicContact CD1-CG 3.97Å; L520-L524 HydrophobicContact CG-CD1 4.01Å; L520-L524 HydrophobicContact CG-CG 4.45Å; L520-L524 WeakPolarHBondContact O-CG 3.39Å; L520-L524 PolarHBondContact O-N 2.87Å |
| 521 | Q | 94.1 | Very high | 94.2 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 177.7 | -163.8 | -177 | 58.1 | 0 | 0 | 111.6 | N517 R519 L524 L525 | N517-Q521 PolarHBondContact O-N 3.04Å; R519-Q521 VanDerWaalsContact C-N 3.32Å; R519-Q521 PolarHBondContact O-N 2.91Å; Q521-L524 PolarHBondContact O-N 2.93Å; Q521-L525 HydrophobicContact CG-CD1 4.27Å; Q521-L525 WeakPolarHBondContact O-CB 3.44Å; Q521-L525 VanDerWaalsContact O-CG 3.28Å; Q521-L525 WeakPolarHBondContact O-CG 3.33Å; Q521-L525 PolarHBondContact O-N 2.68Å |
| 522 | K | 95 | Very high | 94.2 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.6 | -72.7 | 166.5 | -176.5 | 167.1 | 0 | 112.4 | E518 R519 L520 L525 A526 | E518-K522 VanDerWaalsContact CD-CE 3.49Å; E518-K522 WeakPolarHBondContact O-CB 3.41Å; E518-K522 WeakPolarHBondContact O-CD 3.35Å; E518-K522 VanDerWaalsContact O-CG 3.27Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.09Å; E518-K522 VanDerWaalsContact O-N 3.08Å; E518-K522 WeakPolarHBondContact OE1-CE 3.23Å; E518-K522 IonicContact OE1-NZ 2.7Å; E518-K522 PolarHBondContact OE1-NZ 3.16Å; E518-K522 IonicContact OE2-NZ 3.08Å; E518-K522 PolarHBondContact OE2-NZ 3.42Å; R519-K522 PolarHBondContact O-N 2.88Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 2.72Å; K522-L525 PolarHBondContact O-N 3.07Å; K522-A526 WeakPolarHBondContact O-CB 3.28Å; K522-A526 PolarHBondContact O-N 2.9Å |
| 523 | H | 94.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.7 | -71.9 | -154.3 | 0 | 0 | 0 | 111.8 | L124 W175 R519 L520 L525 A526 L527 | L124-H523 HydrophobicContact CD2-CB 4.31Å; W175-H523 AromaticContact CE3-ND1 3.95Å; W175-H523 HydrophobicContact CH2-CB 4.05Å; W175-H523 HydrophobicContact CZ3-CB 3.82Å; W175-H523 AromaticContact CZ3-CD2 3.85Å; W175-H523 AromaticContact CZ3-CE1 3.77Å; W175-H523 AromaticContact CZ3-CG 3.45Å; W175-H523 VanDerWaalsContact CZ3-CG 3.45Å; W175-H523 AromaticContact CZ3-ND1 3.42Å; W175-H523 WeakPolarHBondContact CZ3-ND1 3.39Å; R519-H523 WeakPolarHBondContact CG-NE2 3.24Å; R519-H523 PolarHBondContact NE-CE1 3.15Å; R519-H523 PolarHBondContact NE-NE2 2.93Å; R519-H523 PolarHBondContact O-CD2 3.36Å; R519-H523 VanDerWaalsContact O-CG 3.31Å; R519-H523 PolarHBondContact O-N 2.95Å; L520-H523 PolarHBondContact O-N 2.85Å; H523-L525 PolarHBondContact O-N 3.47Å; H523-A526 PolarHBondContact O-N 3.05Å; H523-L527 WeakPolarHBondContact O-CB 3.3Å; H523-L527 PolarHBondContact O-N 2.97Å |
| 524 | L | 95.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 178.2 | -68.6 | 172 | 0 | 0 | 0 | 112.2 | L124 A514 L520 Q521 S528 | L124-L524 HydrophobicContact CB-CD2 4.44Å; L124-L524 HydrophobicContact CD2-CD2 3.81Å; L124-L524 HydrophobicContact CD2-CG 4.18Å; A514-L524 HydrophobicContact CB-CD1 4.14Å; L520-L524 HydrophobicContact CD1-CD1 3.93Å; L520-L524 HydrophobicContact CD1-CG 3.97Å; L520-L524 HydrophobicContact CG-CD1 4.01Å; L520-L524 HydrophobicContact CG-CG 4.45Å; L520-L524 WeakPolarHBondContact O-CG 3.39Å; L520-L524 PolarHBondContact O-N 2.87Å; Q521-L524 PolarHBondContact O-N 2.93Å; L524-S528 WeakPolarHBondContact O-CB 3.44Å; L524-S528 PolarHBondContact O-N 2.78Å |
| 525 | L | 95 | Very high | 94 | Very high | 113 Ų | 113 | 65.1 Ų | 65.1 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 174.8 | -72.4 | 169.7 | 0 | 0 | 0 | 112.6 | Q521 K522 H523 S529 | Q521-L525 HydrophobicContact CG-CD1 4.27Å; Q521-L525 WeakPolarHBondContact O-CB 3.44Å; Q521-L525 VanDerWaalsContact O-CG 3.28Å; Q521-L525 WeakPolarHBondContact O-CG 3.33Å; Q521-L525 PolarHBondContact O-N 2.68Å; K522-L525 PolarHBondContact O-N 3.07Å; H523-L525 PolarHBondContact O-N 3.47Å; L525-S529 PolarHBondContact O-N 2.94Å; L525-S529 VanDerWaalsContact O-N 3.14Å |
| 526 | A | 95.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W175 K522 H523 S528 S529 E530 | W175-A526 HydrophobicContact CH2-CB 4.06Å; W175-A526 HydrophobicContact CZ2-CB 3.98Å; K522-A526 WeakPolarHBondContact O-CB 3.28Å; K522-A526 PolarHBondContact O-N 2.9Å; H523-A526 PolarHBondContact O-N 3.05Å; A526-S528 PolarHBondContact O-N 2.83Å; A526-S529 WeakPolarHBondContact O-CB 3.28Å; A526-S529 PolarHBondContact O-N 2.82Å; A526-S529 VanDerWaalsContact O-N 3.11Å; A526-E530 WeakPolarHBondContact O-CG 3.4Å; A526-E530 PolarHBondContact O-N 2.64Å |
| 527 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 176.7 | -85.2 | 163.1 | 0 | 0 | 0 | 113.2 | E120 V123 L124 W175 H523 S529 E530 L531 | E120-L527 HydrophobicContact CB-CB 3.84Å; V123-L527 HydrophobicContact CB-CD2 3.86Å; V123-L527 HydrophobicContact CG1-CD2 3.51Å; L124-L527 HydrophobicContact CB-CD1 3.72Å; L124-L527 HydrophobicContact CD1-CD1 4.4Å; W175-L527 HydrophobicContact CD2-CD1 4.22Å; W175-L527 HydrophobicContact CD2-CG 4.39Å; W175-L527 HydrophobicContact CZ2-CD1 4.32Å; W175-L527 HydrophobicContact CZ2-CD2 4.48Å; W175-L527 HydrophobicContact CZ2-CG 3.84Å; W175-L527 VanDerWaalsContact NE1-CD2 3.27Å; H523-L527 WeakPolarHBondContact O-CB 3.3Å; H523-L527 PolarHBondContact O-N 2.97Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 2.84Å; L527-E530 PolarHBondContact O-N 2.87Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 VanDerWaalsContact O-CG 3.24Å; L527-L531 WeakPolarHBondContact O-CG 3.39Å; L527-L531 PolarHBondContact O-N 2.84Å |
| 528 | S | 95.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 176.6 | -157.7 | 0 | 0 | 0 | 0 | 111.3 | E120 L524 A526 A532 | E120-S528 PolarHBondContact OE1-OG 3.43Å; L524-S528 WeakPolarHBondContact O-CB 3.44Å; L524-S528 PolarHBondContact O-N 2.78Å; A526-S528 PolarHBondContact O-N 2.83Å; S528-A532 WeakPolarHBondContact O-CB 3.24Å; S528-A532 PolarHBondContact O-N 2.83Å; S528-A532 VanDerWaalsContact O-N 3.1Å |
| 529 | S | 95.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 174.6 | -168.6 | 0 | 0 | 0 | 0 | 113.3 | L525 A526 L527 L531 A532 N533 | L525-S529 PolarHBondContact O-N 2.94Å; L525-S529 VanDerWaalsContact O-N 3.14Å; A526-S529 WeakPolarHBondContact O-CB 3.28Å; A526-S529 PolarHBondContact O-N 2.82Å; A526-S529 VanDerWaalsContact O-N 3.11Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 2.84Å; S529-L531 VanDerWaalsContact C-N 3.34Å; S529-L531 PolarHBondContact O-N 2.64Å; S529-A532 PolarHBondContact O-N 2.92Å; S529-N533 PolarHBondContact O-ND2 3.03Å |
| 530 | E | 93.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 177.7 | -75.2 | 168 | -158.3 | 0 | 0 | 112.4 | W175 A526 L527 | W175-E530 PolarHBondContact NE1-OE2 2.95Å; A526-E530 WeakPolarHBondContact O-CG 3.4Å; A526-E530 PolarHBondContact O-N 2.64Å; L527-E530 PolarHBondContact O-N 2.87Å |
| 531 | L | 94.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -80.9 | -29.3 | -177.7 | -64.1 | 176.3 | 0 | 0 | 0 | 113.1 | P119 V123 L163 W168 L527 S529 N533 A534 R535 | P119-L531 HydrophobicContact CB-CD1 3.83Å; V123-L531 HydrophobicContact CG2-CD1 4.08Å; L163-L531 HydrophobicContact CD1-CD2 4.33Å; W168-L531 HydrophobicContact CH2-CD2 3.84Å; W168-L531 HydrophobicContact CZ3-CD2 3.59Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 VanDerWaalsContact O-CG 3.24Å; L527-L531 WeakPolarHBondContact O-CG 3.39Å; L527-L531 PolarHBondContact O-N 2.84Å; S529-L531 VanDerWaalsContact C-N 3.34Å; S529-L531 PolarHBondContact O-N 2.64Å; L531-N533 VanDerWaalsContact C-N 3.27Å; L531-N533 PolarHBondContact O-N 3.48Å; L531-A534 PolarHBondContact O-N 3.06Å; L531-R535 PolarHBondContact O-N 2.89Å |
| 532 | A | 93.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 64.8 Ų | 64.8 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.8 | -42.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S528 S529 A534 R535 | S528-A532 WeakPolarHBondContact O-CB 3.24Å; S528-A532 PolarHBondContact O-N 2.83Å; S528-A532 VanDerWaalsContact O-N 3.1Å; S529-A532 PolarHBondContact O-N 2.92Å; A532-A534 PolarHBondContact O-N 2.85Å; A532-R535 PolarHBondContact O-N 2.85Å |
| 533 | N | 90.4 | Very high | 94.7 | Very high | 154 Ų | 154 | 61.8 Ų | 61.8 | 82% | 0.824 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.8 | -179.8 | -66.1 | -61.1 | 0 | 0 | 0 | 114 | S529 L531 | S529-N533 PolarHBondContact O-ND2 3.03Å; L531-N533 VanDerWaalsContact C-N 3.27Å; L531-N533 PolarHBondContact O-N 3.48Å |
| 534 | A | 93.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -5.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | H161 K162 L163 L531 A532 | H161-A534 CarbonylContact C-O 3.49Å; H161-A534 WeakPolarHBondContact CA-O 3.43Å; H161-A534 HydrophobicContact CB-CB 4.43Å; K162-A534 PolarHBondContact N-O 3.19Å; L163-A534 HydrophobicContact CD1-CB 4.25Å; L163-A534 HydrophobicContact CD2-CB 3.71Å; L163-A534 HydrophobicContact CG-CB 3.79Å; L531-A534 PolarHBondContact O-N 3.06Å; A532-A534 PolarHBondContact O-N 2.85Å |
| 535 | R | 94.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -68.9 | 142.1 | -171.5 | -161.1 | 174.2 | -167.3 | 167.9 | 5.1 | 112.5 | Q160 L531 A532 | Q160-R535 VanDerWaalsContact OE1-NE 3.08Å; L531-R535 PolarHBondContact O-N 2.89Å; A532-R535 PolarHBondContact O-N 2.85Å |
| 536 | D | 94.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | trans | -105.5 | 95.9 | 170 | -160.2 | -26.9 | 0 | 0 | 0 | 110.4 | Q160 K162 T538 K539 | Q160-D536 PolarHBondContact O-N 2.99Å; K162-D536 VanDerWaalsContact CE-CG 3.49Å; K162-D536 WeakPolarHBondContact CE-OD2 3.39Å; K162-D536 IonicContact NZ-OD1 2.7Å; K162-D536 IonicContact NZ-OD2 3.37Å; K162-D536 PolarHBondContact NZ-OD2 2.85Å; D536-T538 PolarHBondContact O-N 2.99Å; D536-T538 WeakPolarHBondContact OD1-CB 3.32Å; D536-T538 PolarHBondContact OD1-N 2.76Å; D536-T538 VanDerWaalsContact OD1-N 3.17Å; D536-T538 PolarHBondContact OD1-OG1 3.42Å; D536-K539 HydrophobicContact CB-CD 4.14Å; D536-K539 HydrophobicContact CB-CG 4.23Å; D536-K539 PolarHBondContact O-N 2.73Å | ||
| 537 | D | 92.3 | Very high | 95 | Very high | 101 Ų | 101 | 59.1 Ų | 59.1 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -57.7 | -21.2 | 179.9 | -90.4 | 15.5 | 0 | 0 | 0 | 114 | K539 K540 | D537-K539 PolarHBondContact O-N 2.97Å; D537-K540 WeakPolarHBondContact OD1-CE 3.25Å; D537-K540 IonicContact OD1-NZ 3.11Å; D537-K540 PolarHBondContact OD1-NZ 2.85Å; D537-K540 IonicContact OD2-NZ 2.72Å; D537-K540 PolarHBondContact OD2-NZ 3.48Å |
| 538 | T | 94.6 | Very high | 95 | Very high | 124 Ų | 124 | 61.7 Ų | 61.7 | 76% | 0.761 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -72.5 | -14 | 176.8 | 69 | 0 | 0 | 0 | 0 | 113.6 | D536 | D536-T538 PolarHBondContact O-N 2.99Å; D536-T538 WeakPolarHBondContact OD1-CB 3.32Å; D536-T538 PolarHBondContact OD1-N 2.76Å; D536-T538 VanDerWaalsContact OD1-N 3.17Å; D536-T538 PolarHBondContact OD1-OG1 3.42Å |
| 539 | K | 96.3 | Very high | 95.1 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -108 | 7.8 | -174.8 | -60.4 | -176 | -176.5 | -174.2 | 0 | 114.3 | D159 Q160 D536 D537 T541 | D159-K539 WeakPolarHBondContact O-CD 3.42Å; D159-K539 WeakPolarHBondContact O-CE 3.13Å; D159-K539 PolarHBondContact O-NZ 3Å; Q160-K539 HydrophobicContact CB-CB 4.08Å; D536-K539 HydrophobicContact CB-CD 4.14Å; D536-K539 HydrophobicContact CB-CG 4.23Å; D536-K539 PolarHBondContact O-N 2.73Å; D537-K539 PolarHBondContact O-N 2.97Å; K539-T541 PolarHBondContact O-N 2.7Å |
| 540 | K | 94.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | trans | -59.9 | 125.8 | 175.6 | -72.6 | 172.6 | 179.8 | 162.9 | 0 | 110.4 | D537 D544 M545 | D537-K540 WeakPolarHBondContact OD1-CE 3.25Å; D537-K540 IonicContact OD1-NZ 3.11Å; D537-K540 PolarHBondContact OD1-NZ 2.85Å; D537-K540 IonicContact OD2-NZ 2.72Å; D537-K540 PolarHBondContact OD2-NZ 3.48Å; K540-D544 HydrophobicContact CB-CB 4.33Å; K540-M545 HydrophobicContact CB-CG 4.31Å | ||
| 541 | T | 96.4 | Very high | 95.3 | Very high | 51 Ų | 51 | 64 Ų | 64 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | trans | -79.7 | 170 | 172.4 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | R156 K539 N543 D544 M545 | R156-T541 HydrophobicContact CG-CG2 3.86Å; K539-T541 PolarHBondContact O-N 2.7Å; T541-N543 PolarHBondContact O-N 3.5Å; T541-N543 PolarHBondContact OG1-N 3.1Å; T541-D544 WeakPolarHBondContact CA-OD2 3.43Å; T541-D544 VanDerWaalsContact CB-OD2 3.23Å; T541-D544 WeakPolarHBondContact CB-OD2 3.28Å; T541-D544 WeakPolarHBondContact CG2-OD2 2.85Å; T541-D544 PolarHBondContact N-OD2 3.17Å; T541-D544 PolarHBondContact O-N 2.85Å; T541-D544 VanDerWaalsContact O-N 3.16Å; T541-D544 PolarHBondContact OG1-N 2.87Å; T541-D544 PolarHBondContact OG1-OD2 3.01Å; T541-M545 PolarHBondContact O-N 3.49Å; T541-M545 VanDerWaalsContact O-N 3.12Å | ||
| 542 | V | 95.8 | Very high | 95.3 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.4 | -38.2 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | M545 I546 | V542-M545 HydrophobicContact CG2-CE 4.44Å; V542-M545 PolarHBondContact O-N 3.48Å; V542-I546 HydrophobicContact CG1-CD1 3.78Å; V542-I546 HydrophobicContact CG1-CG1 4.46Å; V542-I546 WeakPolarHBondContact O-CG1 3.41Å; V542-I546 PolarHBondContact O-N 2.84Å |
| 543 | N | 96.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 73 Ų | 73 | 24% | 0.235 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.7 | -41.8 | 177.4 | -66.9 | -4.1 | 0 | 0 | 0 | 111.8 | Y116 M234 T541 M545 I546 H547 | Y116-N543 HydrophobicContact CD2-CB 3.41Å; Y116-N543 VanDerWaalsContact CD2-CB 3.41Å; Y116-N543 HydrophobicContact CE2-CB 3.71Å; Y116-N543 HydrophobicContact CG-CB 4.02Å; M234-N543 HydrophobicContact CE-CB 3.89Å; M234-N543 VanDerWaalsContact CE-O 3.26Å; M234-N543 WeakPolarHBondContact CE-O 3.48Å; M234-N543 HydrophobicContact SD-CB 4.09Å; T541-N543 PolarHBondContact O-N 3.5Å; T541-N543 PolarHBondContact OG1-N 3.1Å; N543-M545 PolarHBondContact O-N 3.27Å; N543-I546 PolarHBondContact O-N 2.94Å; N543-H547 WeakPolarHBondContact O-CB 3.27Å; N543-H547 PolarHBondContact O-N 3.14Å |
| 544 | D | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -31.6 | 176.6 | -53.3 | -78.7 | 0 | 0 | 0 | 111.5 | R156 Q160 K540 T541 A548 | R156-D544 WeakPolarHBondContact CD-OD2 3.44Å; R156-D544 IonicContact CZ-OD1 3.04Å; R156-D544 IonicContact NH1-OD1 2.69Å; R156-D544 PolarHBondContact NH1-OD1 3.16Å; Q160-D544 PolarHBondContact NE2-OD1 2.89Å; K540-D544 HydrophobicContact CB-CB 4.33Å; T541-D544 WeakPolarHBondContact CA-OD2 3.43Å; T541-D544 VanDerWaalsContact CB-OD2 3.23Å; T541-D544 WeakPolarHBondContact CB-OD2 3.28Å; T541-D544 WeakPolarHBondContact CG2-OD2 2.85Å; T541-D544 PolarHBondContact N-OD2 3.17Å; T541-D544 PolarHBondContact O-N 2.85Å; T541-D544 VanDerWaalsContact O-N 3.16Å; T541-D544 PolarHBondContact OG1-N 2.87Å; T541-D544 PolarHBondContact OG1-OD2 3.01Å; D544-A548 WeakPolarHBondContact O-CB 3.44Å; D544-A548 PolarHBondContact O-N 3.38Å |
| 545 | M | 96.6 | Very high | 95.8 | Very high | 92 Ų | 92 | 71 Ų | 71 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.7 | -50.2 | 174.4 | -66.6 | -173 | -69.3 | 0 | 0 | 112.8 | K540 T541 V542 N543 H547 A548 E549 | K540-M545 HydrophobicContact CB-CG 4.31Å; T541-M545 PolarHBondContact O-N 3.49Å; T541-M545 VanDerWaalsContact O-N 3.12Å; V542-M545 HydrophobicContact CG2-CE 4.44Å; V542-M545 PolarHBondContact O-N 3.48Å; N543-M545 PolarHBondContact O-N 3.27Å; M545-H547 VanDerWaalsContact C-N 3.3Å; M545-H547 PolarHBondContact O-N 3.08Å; M545-A548 PolarHBondContact O-N 2.81Å; M545-E549 PolarHBondContact O-N 2.85Å |
| 546 | I | 97.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 69 Ų | 69 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 178.6 | -68.7 | 165.9 | 0 | 0 | 0 | 111 | D232 M234 T235 V542 N543 E549 N550 | D232-I546 HydrophobicContact CB-CD1 3.94Å; M234-I546 HydrophobicContact CB-CG2 4.4Å; M234-I546 HydrophobicContact CE-CB 3.8Å; M234-I546 HydrophobicContact CE-CG2 3.71Å; T235-I546 WeakPolarHBondContact OG1-CG2 3.48Å; V542-I546 HydrophobicContact CG1-CD1 3.78Å; V542-I546 HydrophobicContact CG1-CG1 4.46Å; V542-I546 WeakPolarHBondContact O-CG1 3.41Å; V542-I546 PolarHBondContact O-N 2.84Å; N543-I546 PolarHBondContact O-N 2.94Å; I546-E549 PolarHBondContact O-N 2.9Å; I546-N550 PolarHBondContact O-N 2.99Å |
| 547 | H | 96.9 | Very high | 96 | Very high | 22 Ų | 22 | 69.1 Ų | 69.1 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 177.1 | -177.4 | 79.3 | 0 | 0 | 0 | 111.7 | Y116 E199 M234 N543 M545 E549 N550 M551 | Y116-H547 HydrophobicContact CE1-CB 3.62Å; Y116-H547 AromaticContact CE1-CG 3.62Å; Y116-H547 AromaticContact CE1-ND1 3.84Å; Y116-H547 WeakPolarHBondContact OH-CB 3.33Å; E199-H547 IonicContact OE1-CE1 2.72Å; E199-H547 IonicContact OE1-CG 2.86Å; E199-H547 IonicContact OE1-ND1 3.23Å; E199-H547 PolarHBondContact OE1-ND1 3.41Å; E199-H547 IonicContact OE2-ND1 3.19Å; M234-H547 HydrophobicContact CE-CB 3.91Å; N543-H547 WeakPolarHBondContact O-CB 3.27Å; N543-H547 PolarHBondContact O-N 3.14Å; M545-H547 VanDerWaalsContact C-N 3.3Å; M545-H547 PolarHBondContact O-N 3.08Å; H547-E549 VanDerWaalsContact C-N 3.3Å; H547-E549 PolarHBondContact O-N 3.34Å; H547-N550 WeakPolarHBondContact O-CB 3.39Å; H547-N550 PolarHBondContact O-N 2.98Å; H547-M551 WeakPolarHBondContact O-CG 3.44Å; H547-M551 PolarHBondContact O-N 3.39Å |
| 548 | A | 95.9 | Very high | 96.2 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D544 M545 K552 | D544-A548 WeakPolarHBondContact O-CB 3.44Å; D544-A548 PolarHBondContact O-N 3.38Å; M545-A548 PolarHBondContact O-N 2.81Å; A548-K552 WeakPolarHBondContact O-CB 3.33Å; A548-K552 PolarHBondContact O-N 3.4Å |
| 549 | E | 96.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68 | -39.3 | 172.1 | -71.8 | -173.6 | 176.6 | 0 | 0 | 112.7 | M545 I546 H547 K552 A553 | M545-E549 PolarHBondContact O-N 2.85Å; I546-E549 PolarHBondContact O-N 2.9Å; H547-E549 VanDerWaalsContact C-N 3.3Å; H547-E549 PolarHBondContact O-N 3.34Å; E549-K552 PolarHBondContact O-N 2.85Å; E549-A553 VanDerWaalsContact O-CB 3.28Å; E549-A553 WeakPolarHBondContact O-CB 3.45Å; E549-A553 PolarHBondContact O-N 2.96Å |
| 550 | N | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -52 | 173.9 | -75.6 | -19.3 | 0 | 0 | 0 | 111.4 | T235 I546 H547 K552 A553 G554 R555 | T235-N550 WeakPolarHBondContact CG2-OD1 3.47Å; T235-N550 PolarHBondContact OG1-ND2 3Å; T235-N550 PolarHBondContact OG1-OD1 3.21Å; I546-N550 PolarHBondContact O-N 2.99Å; H547-N550 WeakPolarHBondContact O-CB 3.39Å; H547-N550 PolarHBondContact O-N 2.98Å; N550-K552 PolarHBondContact O-N 3.33Å; N550-A553 CarbonylContact O-C 3.51Å; N550-A553 PolarHBondContact O-N 2.75Å; N550-A553 VanDerWaalsContact O-N 3.09Å; N550-G554 PolarHBondContact O-N 2.92Å; N550-G554 VanDerWaalsContact O-N 3.16Å; N550-R555 HydrophobicContact CB-CB 4.18Å; N550-R555 PolarHBondContact O-N 2.88Å; N550-R555 PolarHBondContact OD1-NE 2.67Å; N550-R555 PolarHBondContact OD1-NH2 2.56Å |
| 551 | M | 94.8 | Very high | 96.4 | Very high | 118 Ų | 118 | 55.4 Ų | 55.4 | 58% | 0.581 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 178.1 | -66.2 | -61.2 | -74.7 | 0 | 0 | 111.8 | H547 A553 G554 | H547-M551 WeakPolarHBondContact O-CG 3.44Å; H547-M551 PolarHBondContact O-N 3.39Å; M551-A553 VanDerWaalsContact C-N 3.28Å; M551-A553 PolarHBondContact O-N 2.85Å; M551-G554 PolarHBondContact O-N 3.38Å |
| 552 | K | 95.8 | Very high | 96.4 | Very high | 194 Ų | 194 | 57.1 Ų | 57.1 | 84% | 0.843 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.1 | -31.4 | 174.9 | -177.6 | 179.3 | 176.2 | -175.6 | 0 | 113.1 | A548 E549 N550 G554 | A548-K552 WeakPolarHBondContact O-CB 3.33Å; A548-K552 PolarHBondContact O-N 3.4Å; E549-K552 PolarHBondContact O-N 2.85Å; N550-K552 PolarHBondContact O-N 3.33Å; K552-G554 VanDerWaalsContact C-N 3.29Å |
| 553 | A | 95.7 | Very high | 96.4 | Very high | 60 Ų | 60 | 58.8 Ų | 58.8 | 50% | 0.496 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 1.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E549 N550 M551 R555 | E549-A553 VanDerWaalsContact O-CB 3.28Å; E549-A553 WeakPolarHBondContact O-CB 3.45Å; E549-A553 PolarHBondContact O-N 2.96Å; N550-A553 CarbonylContact O-C 3.51Å; N550-A553 PolarHBondContact O-N 2.75Å; N550-A553 VanDerWaalsContact O-N 3.09Å; M551-A553 VanDerWaalsContact C-N 3.28Å; M551-A553 PolarHBondContact O-N 2.85Å; A553-R555 HydrophobicContact CB-CG 4.07Å; A553-R555 PolarHBondContact O-N 2.83Å |
| 554 | G | 95 | Very high | 96.4 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 21.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N550 M551 K552 | N550-G554 PolarHBondContact O-N 2.92Å; N550-G554 VanDerWaalsContact O-N 3.16Å; M551-G554 PolarHBondContact O-N 3.38Å; K552-G554 VanDerWaalsContact C-N 3.29Å |
| 555 | R | 96.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 30% | 0.302 | 30% | 0.299 | S | S | . | . | trans | -88.9 | 133.2 | 178.8 | -65.6 | -166.1 | -67.4 | -123.8 | 1.4 | 111.2 | N550 A553 | N550-R555 HydrophobicContact CB-CB 4.18Å; N550-R555 PolarHBondContact O-N 2.88Å; N550-R555 PolarHBondContact OD1-NE 2.67Å; N550-R555 PolarHBondContact OD1-NH2 2.56Å; A553-R555 HydrophobicContact CB-CG 4.07Å; A553-R555 PolarHBondContact O-N 2.83Å | ||
| 556 | D | 96.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -125.1 | 179.7 | 164 | 63.1 | 78.4 | 0 | 0 | 0 | 110 | T512 Y558 K559 T560 | T512-D556 HydrophobicContact CG2-CB 4.06Å; D556-Y558 PolarHBondContact O-N 2.92Å; D556-Y558 WeakPolarHBondContact OD1-CA 3.47Å; D556-Y558 PolarHBondContact OD1-N 3.27Å; D556-K559 PolarHBondContact OD1-N 3.19Å; D556-K559 WeakPolarHBondContact OD2-CB 3.49Å; D556-K559 WeakPolarHBondContact OD2-CD 3.45Å; D556-K559 WeakPolarHBondContact OD2-CE 3.46Å; D556-K559 WeakPolarHBondContact OD2-CG 3.49Å; D556-K559 IonicContact OD2-NZ 2.59Å; D556-K559 PolarHBondContact OD2-NZ 2.91Å; D556-T560 WeakPolarHBondContact O-CB 3.48Å; D556-T560 PolarHBondContact O-N 3.06Å; D556-T560 PolarHBondContact O-OG1 2.94Å | ||
| 557 | K | 97.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 10% | 0.104 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.4 | -49.5 | 179.1 | -172.2 | 169.1 | -171.6 | 165.9 | 0 | 113.4 | Q196 D197 L198 Y201 L561 | Q196-K557 PolarHBondContact O-NZ 3Å; D197-K557 WeakPolarHBondContact O-CB 3.24Å; D197-K557 VanDerWaalsContact O-CD 3.32Å; D197-K557 WeakPolarHBondContact O-CD 3.28Å; L198-K557 PolarHBondContact O-NZ 3.47Å; Y201-K557 PolarHBondContact O-NZ 3.27Å; Y201-K557 VanDerWaalsContact O-NZ 3.09Å; K557-L561 HydrophobicContact CG-CD1 4.28Å; K557-L561 WeakPolarHBondContact O-CB 3.13Å; K557-L561 VanDerWaalsContact O-CG 3.22Å; K557-L561 WeakPolarHBondContact O-CG 3.35Å; K557-L561 PolarHBondContact O-N 3.15Å |
| 558 | Y | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 62 Ų | 62 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -82.7 | -36 | -173.5 | -52.3 | -65.4 | 0 | 0 | 0 | 112.7 | D197 L223 R510 T512 D556 T560 L561 R562 | D197-Y558 WeakPolarHBondContact OD1-CE2 3.37Å; D197-Y558 PolarHBondContact OD1-OH 3.41Å; L223-Y558 HydrophobicContact CD1-CE1 4.46Å; R510-Y558 HydrophobicContact CB-CD1 4.09Å; R510-Y558 HydrophobicContact CB-CE1 4.46Å; R510-Y558 HydrophobicContact CB-CG 4.22Å; R510-Y558 HydrophobicContact CG-CD1 4.13Å; R510-Y558 HydrophobicContact CG-CD2 4.36Å; R510-Y558 HydrophobicContact CG-CE1 4.04Å; R510-Y558 HydrophobicContact CG-CE2 4.25Å; R510-Y558 HydrophobicContact CG-CG 4.31Å; R510-Y558 VanDerWaalsContact CZ-OH 3.28Å; R510-Y558 PolarHBondContact NH1-OH 2.72Å; R510-Y558 VanDerWaalsContact O-CB 3.23Å; R510-Y558 WeakPolarHBondContact O-CB 3.39Å; T512-Y558 HydrophobicContact CG2-CD2 3.78Å; T512-Y558 HydrophobicContact CG2-CE2 3.89Å; D556-Y558 PolarHBondContact O-N 2.92Å; D556-Y558 WeakPolarHBondContact OD1-CA 3.47Å; D556-Y558 PolarHBondContact OD1-N 3.27Å; Y558-T560 VanDerWaalsContact C-N 3.33Å; Y558-L561 HydrophobicContact CD1-CD1 4.37Å; Y558-L561 PolarHBondContact O-N 3.39Å; Y558-R562 WeakPolarHBondContact O-CG 3.45Å; Y558-R562 PolarHBondContact O-N 2.98Å |
| 559 | K | 96.5 | Very high | 95.8 | Very high | 85 Ų | 85 | 60.1 Ų | 60.1 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 169 | -74.5 | -174.1 | -161.3 | 86.6 | 0 | 111.4 | E515 D556 R562 Q563 | E515-K559 IonicContact OE1-NZ 2.7Å; E515-K559 PolarHBondContact OE1-NZ 3.06Å; D556-K559 PolarHBondContact OD1-N 3.19Å; D556-K559 WeakPolarHBondContact OD2-CB 3.49Å; D556-K559 WeakPolarHBondContact OD2-CD 3.45Å; D556-K559 WeakPolarHBondContact OD2-CE 3.46Å; D556-K559 WeakPolarHBondContact OD2-CG 3.49Å; D556-K559 IonicContact OD2-NZ 2.59Å; D556-K559 PolarHBondContact OD2-NZ 2.91Å; K559-R562 PolarHBondContact O-N 2.9Å; K559-Q563 WeakPolarHBondContact O-CB 3.33Å; K559-Q563 PolarHBondContact O-N 3.1Å |
| 560 | T | 97.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.3 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | T235 P236 D556 Y558 R562 Q563 I564 | T235-T560 HydrophobicContact CG2-CG2 4.09Å; P236-T560 HydrophobicContact CG-CG2 4.16Å; D556-T560 WeakPolarHBondContact O-CB 3.48Å; D556-T560 PolarHBondContact O-N 3.06Å; D556-T560 PolarHBondContact O-OG1 2.94Å; Y558-T560 VanDerWaalsContact C-N 3.33Å; T560-R562 PolarHBondContact O-N 2.74Å; T560-Q563 PolarHBondContact O-N 3.49Å; T560-Q563 VanDerWaalsContact O-N 3.14Å; T560-I564 HydrophobicContact CG2-CG2 4.3Å; T560-I564 WeakPolarHBondContact O-CG1 3.29Å; T560-I564 WeakPolarHBondContact O-CG2 3.39Å; T560-I564 PolarHBondContact O-N 3.21Å |
| 561 | L | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -41.8 | 175.1 | -76 | 170.7 | 0 | 0 | 0 | 112.8 | L223 K557 Y558 I564 R565 | L223-L561 HydrophobicContact CD1-CD1 3.79Å; K557-L561 HydrophobicContact CG-CD1 4.28Å; K557-L561 WeakPolarHBondContact O-CB 3.13Å; K557-L561 VanDerWaalsContact O-CG 3.22Å; K557-L561 WeakPolarHBondContact O-CG 3.35Å; K557-L561 PolarHBondContact O-N 3.15Å; Y558-L561 HydrophobicContact CD1-CD1 4.37Å; Y558-L561 PolarHBondContact O-N 3.39Å; L561-I564 HydrophobicContact CD2-CD1 4.18Å; L561-R565 WeakPolarHBondContact O-CB 3.22Å; L561-R565 VanDerWaalsContact O-CD 3.24Å; L561-R565 WeakPolarHBondContact O-CD 3.46Å; L561-R565 WeakPolarHBondContact O-CG 3.4Å; L561-R565 PolarHBondContact O-N 2.86Å |
| 562 | R | 95.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 171.8 | -80.7 | -179 | -81.7 | -87.1 | 1 | 111.7 | E508 R510 Y558 K559 T560 R565 S566 | E508-R562 VanDerWaalsContact O-CD 3.28Å; E508-R562 WeakPolarHBondContact O-CD 3.35Å; E508-R562 WeakPolarHBondContact O-CG 3.19Å; E508-R562 PolarHBondContact O-NH1 2.6Å; R510-R562 PolarHBondContact O-NH1 3.04Å; R510-R562 PolarHBondContact O-NH2 2.95Å; Y558-R562 WeakPolarHBondContact O-CG 3.45Å; Y558-R562 PolarHBondContact O-N 2.98Å; K559-R562 PolarHBondContact O-N 2.9Å; T560-R562 PolarHBondContact O-N 2.74Å; R562-R565 PolarHBondContact O-N 2.71Å; R562-S566 PolarHBondContact O-N 3.27Å |
| 563 | Q | 96.4 | Very high | 96 | Very high | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.8 | -50.4 | -178 | -174 | 177.8 | 3.4 | 0 | 0 | 112.1 | K559 T560 R565 S566 | K559-Q563 WeakPolarHBondContact O-CB 3.33Å; K559-Q563 PolarHBondContact O-N 3.1Å; T560-Q563 PolarHBondContact O-N 3.49Å; T560-Q563 VanDerWaalsContact O-N 3.14Å; Q563-R565 PolarHBondContact O-N 3.47Å; Q563-S566 VanDerWaalsContact O-CB 3.31Å; Q563-S566 WeakPolarHBondContact O-CB 3.16Å; Q563-S566 PolarHBondContact O-N 3.25Å; Q563-S566 PolarHBondContact O-OG 3.02Å |
| 564 | I | 96.4 | Very high | 96 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.9 | -8 | -175.2 | 71.8 | 176.7 | 0 | 0 | 0 | 114.5 | P236 K237 G239 T560 L561 R572 | P236-I564 HydrophobicContact CB-CD1 3.68Å; P236-I564 HydrophobicContact CG-CD1 3.66Å; P236-I564 WeakPolarHBondContact O-CG2 3.48Å; K237-I564 WeakPolarHBondContact O-CG2 3.37Å; G239-I564 PolarHBondContact N-O 3.44Å; T560-I564 HydrophobicContact CG2-CG2 4.3Å; T560-I564 WeakPolarHBondContact O-CG1 3.29Å; T560-I564 WeakPolarHBondContact O-CG2 3.39Å; T560-I564 PolarHBondContact O-N 3.21Å; L561-I564 HydrophobicContact CD2-CD1 4.18Å; I564-R572 WeakPolarHBondContact O-CD 3.04Å |
| 565 | R | 96.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -4.9 | 174.6 | -68.8 | 172.2 | -176.8 | -156.7 | -8.8 | 112.2 | L223 L561 R562 Q563 R572 | L223-R565 PolarHBondContact O-NH1 3.24Å; L223-R565 PolarHBondContact O-NH2 3.2Å; L561-R565 WeakPolarHBondContact O-CB 3.22Å; L561-R565 VanDerWaalsContact O-CD 3.24Å; L561-R565 WeakPolarHBondContact O-CD 3.46Å; L561-R565 WeakPolarHBondContact O-CG 3.4Å; L561-R565 PolarHBondContact O-N 2.86Å; R562-R565 PolarHBondContact O-N 2.71Å; Q563-R565 PolarHBondContact O-N 3.47Å; R565-R572 VanDerWaalsContact O-CZ 3.28Å; R565-R572 PolarHBondContact O-NE 3.42Å; R565-R572 VanDerWaalsContact O-NE 3.17Å; R565-R572 PolarHBondContact O-NH2 2.7Å |
| 566 | S | 92.1 | Very high | 96.1 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | trans | -63.4 | 163.8 | 173.8 | 71.4 | 0 | 0 | 0 | 0 | 112 | R562 Q563 R572 | R562-S566 PolarHBondContact O-N 3.27Å; Q563-S566 VanDerWaalsContact O-CB 3.31Å; Q563-S566 WeakPolarHBondContact O-CB 3.16Å; Q563-S566 PolarHBondContact O-N 3.25Å; Q563-S566 PolarHBondContact O-OG 3.02Å; S566-R572 VanDerWaalsContact O-CD 3.25Å; S566-R572 WeakPolarHBondContact O-CD 3.25Å; S566-R572 PolarHBondContact O-NE 3.17Å | ||
| 567 | G | 92.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 46 Ų | 46 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 70.6 | 172.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R572 | G567-R572 PolarHBondContact O-NE 3.4Å; G567-R572 PolarHBondContact O-NH2 3.06Å |
| 568 | N | 93.5 | Very high | 96 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | trans | -83.7 | 160.6 | 178.4 | 63.2 | 71.8 | 0 | 0 | 0 | 111.7 | K570 Q571 R572 | N568-K570 PolarHBondContact O-N 2.89Å; N568-K570 VanDerWaalsContact O-N 3.15Å; N568-K570 WeakPolarHBondContact OD1-CB 3.41Å; N568-K570 PolarHBondContact OD1-N 3.33Å; N568-Q571 WeakPolarHBondContact O-CB 3.25Å; N568-Q571 PolarHBondContact O-N 2.76Å; N568-Q571 PolarHBondContact OD1-N 3.19Å; N568-R572 PolarHBondContact O-N 3.26Å | ||
| 569 | T | 95.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -30.5 | -177.1 | -43.5 | 0 | 0 | 0 | 0 | 113.4 | F240 E244 P259 A264 I573 | F240-T569 HydrophobicContact CD1-CG2 3.99Å; F240-T569 HydrophobicContact CE1-CG2 3.97Å; E244-T569 VanDerWaalsContact CD-OG1 3.25Å; E244-T569 WeakPolarHBondContact OE2-CB 3.31Å; E244-T569 WeakPolarHBondContact OE2-CG2 3.23Å; E244-T569 PolarHBondContact OE2-OG1 3.23Å; P259-T569 HydrophobicContact CB-CG2 3.74Å; P259-T569 HydrophobicContact CG-CG2 4.47Å; A264-T569 HydrophobicContact CB-CG2 4.42Å; T569-I573 HydrophobicContact CG2-CD1 4.18Å; T569-I573 WeakPolarHBondContact O-CD1 3.45Å; T569-I573 VanDerWaalsContact O-CG1 3.25Å; T569-I573 WeakPolarHBondContact O-CG1 3.33Å; T569-I573 PolarHBondContact O-N 3.17Å |
| 570 | K | 96.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 50 Ų | 50 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -50.8 | 173.1 | 174.4 | -178 | 168.3 | -173.4 | 0 | 111 | A264 P265 N568 R572 I573 D574 | A264-K570 HydrophobicContact CB-CB 4.17Å; P265-K570 HydrophobicContact CG-CG 4.39Å; N568-K570 PolarHBondContact O-N 2.89Å; N568-K570 VanDerWaalsContact O-N 3.15Å; N568-K570 WeakPolarHBondContact OD1-CB 3.41Å; N568-K570 PolarHBondContact OD1-N 3.33Å; K570-R572 VanDerWaalsContact C-N 3.29Å; K570-R572 PolarHBondContact O-N 2.91Å; K570-I573 PolarHBondContact O-N 2.76Å; K570-D574 WeakPolarHBondContact CE-OD2 3.34Å; K570-D574 WeakPolarHBondContact CG-OD2 3.44Å; K570-D574 IonicContact NZ-OD2 3.93Å; K570-D574 PolarHBondContact O-N 2.98Å |
| 571 | Q | 96.9 | Very high | 95.8 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.9 | -48.3 | -179.7 | -178 | -167.8 | -29.5 | 0 | 0 | 111.1 | N568 I573 D574 E575 | N568-Q571 WeakPolarHBondContact O-CB 3.25Å; N568-Q571 PolarHBondContact O-N 2.76Å; N568-Q571 PolarHBondContact OD1-N 3.19Å; Q571-I573 VanDerWaalsContact C-N 3.29Å; Q571-I573 PolarHBondContact O-N 2.81Å; Q571-D574 PolarHBondContact O-N 3.2Å; Q571-D574 VanDerWaalsContact O-N 3.16Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.32Å; Q571-E575 PolarHBondContact NE2-OE1 3.16Å; Q571-E575 WeakPolarHBondContact O-CB 3.46Å; Q571-E575 VanDerWaalsContact O-CG 3.32Å; Q571-E575 WeakPolarHBondContact O-CG 3.49Å; Q571-E575 PolarHBondContact O-N 3.08Å |
| 572 | R | 97.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -26.4 | 178.6 | -77.6 | -179.5 | -87.1 | 118.5 | -2.5 | 114.1 | I238 G239 F240 E244 I564 R565 S566 G567 N568 K570 F576 | I238-R572 HydrophobicContact CG2-CB 3.79Å; I238-R572 HydrophobicContact CG2-CG 4.12Å; G239-R572 WeakPolarHBondContact O-CD 3.47Å; G239-R572 PolarHBondContact O-NH1 2.84Å; F240-R572 HydrophobicContact CE1-CB 3.67Å; F240-R572 HydrophobicContact CZ-CB 3.84Å; E244-R572 IonicContact OE1-CZ 2.67Å; E244-R572 IonicContact OE1-NH1 3.03Å; E244-R572 PolarHBondContact OE1-NH1 3.43Å; E244-R572 IonicContact OE1-NH2 2.7Å; E244-R572 PolarHBondContact OE1-NH2 2.88Å; E244-R572 IonicContact OE2-CZ 3.74Å; E244-R572 IonicContact OE2-NH1 2.69Å; E244-R572 PolarHBondContact OE2-NH1 3.38Å; E244-R572 IonicContact OE2-NH2 3.17Å; E244-R572 PolarHBondContact OE2-NH2 2.67Å; I564-R572 WeakPolarHBondContact O-CD 3.04Å; R565-R572 VanDerWaalsContact O-CZ 3.28Å; R565-R572 PolarHBondContact O-NE 3.42Å; R565-R572 VanDerWaalsContact O-NE 3.17Å; R565-R572 PolarHBondContact O-NH2 2.7Å; S566-R572 VanDerWaalsContact O-CD 3.25Å; S566-R572 WeakPolarHBondContact O-CD 3.25Å; S566-R572 PolarHBondContact O-NE 3.17Å; G567-R572 PolarHBondContact O-NE 3.4Å; G567-R572 PolarHBondContact O-NH2 3.06Å; N568-R572 PolarHBondContact O-N 3.26Å; K570-R572 VanDerWaalsContact C-N 3.29Å; K570-R572 PolarHBondContact O-N 2.91Å; R572-F576 PolarHBondContact O-N 2.84Å |
| 573 | I | 97.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78.6 | -40.4 | 171.8 | -65.3 | 166 | 0 | 0 | 0 | 111.1 | F240 P265 F267 T569 K570 Q571 E575 F576 E577 | F240-I573 HydrophobicContact CE1-CG1 3.89Å; F240-I573 HydrophobicContact CZ-CG1 3.8Å; P265-I573 HydrophobicContact CG-CB 4.21Å; P265-I573 HydrophobicContact CG-CD1 4.15Å; P265-I573 HydrophobicContact CG-CG2 3.89Å; P265-I573 VanDerWaalsContact O-CD1 3.23Å; P265-I573 WeakPolarHBondContact O-CD1 3.38Å; F267-I573 HydrophobicContact CB-CD1 3.79Å; F267-I573 HydrophobicContact CB-CG1 3.94Å; F267-I573 HydrophobicContact CD2-CG1 4.38Å; F267-I573 HydrophobicContact CG-CG1 4.45Å; T569-I573 HydrophobicContact CG2-CD1 4.18Å; T569-I573 WeakPolarHBondContact O-CD1 3.45Å; T569-I573 VanDerWaalsContact O-CG1 3.25Å; T569-I573 WeakPolarHBondContact O-CG1 3.33Å; T569-I573 PolarHBondContact O-N 3.17Å; K570-I573 PolarHBondContact O-N 2.76Å; Q571-I573 VanDerWaalsContact C-N 3.29Å; Q571-I573 PolarHBondContact O-N 2.81Å; I573-E575 VanDerWaalsContact C-N 3.29Å; I573-E575 PolarHBondContact O-N 2.77Å; I573-F576 PolarHBondContact O-N 2.81Å; I573-E577 PolarHBondContact O-N 2.78Å; I573-E577 VanDerWaalsContact O-N 3.1Å |
| 574 | D | 95.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 175.4 | -67.5 | -19.3 | 0 | 0 | 0 | 110.8 | K570 Q571 E577 C578 | K570-D574 WeakPolarHBondContact CE-OD2 3.34Å; K570-D574 WeakPolarHBondContact CG-OD2 3.44Å; K570-D574 IonicContact NZ-OD2 3.93Å; K570-D574 PolarHBondContact O-N 2.98Å; Q571-D574 PolarHBondContact O-N 3.2Å; Q571-D574 VanDerWaalsContact O-N 3.16Å; D574-E577 PolarHBondContact O-N 3.32Å; D574-C578 WeakPolarHBondContact O-CB 3.47Å; D574-C578 PolarHBondContact O-N 3.18Å; D574-C578 PolarHBondContact O-SG 2.88Å |
| 575 | E | 96.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 171.3 | -75.2 | 164.8 | -178.7 | 0 | 0 | 112.1 | I238 Q571 I573 E577 C578 M579 | I238-E575 HydrophobicContact CD1-CB 3.87Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.32Å; Q571-E575 PolarHBondContact NE2-OE1 3.16Å; Q571-E575 WeakPolarHBondContact O-CB 3.46Å; Q571-E575 VanDerWaalsContact O-CG 3.32Å; Q571-E575 WeakPolarHBondContact O-CG 3.49Å; Q571-E575 PolarHBondContact O-N 3.08Å; I573-E575 VanDerWaalsContact C-N 3.29Å; I573-E575 PolarHBondContact O-N 2.77Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.87Å; E575-C578 WeakPolarHBondContact O-CA 3.46Å; E575-C578 VanDerWaalsContact O-CB 3.29Å; E575-C578 WeakPolarHBondContact O-CB 3.26Å; E575-C578 PolarHBondContact O-N 3.15Å; E575-M579 PolarHBondContact O-N 3.44Å |
| 576 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 177.1 | 167.1 | -95.3 | 0 | 0 | 0 | 113.2 | I208 N210 L216 I227 I238 F267 V268 F269 R572 I573 C578 | I208-F576 HydrophobicContact CD1-CE2 4.02Å; I208-F576 HydrophobicContact CD1-CZ 4.24Å; N210-F576 HydrophobicContact CB-CD1 4.04Å; N210-F576 HydrophobicContact CB-CE1 3.36Å; N210-F576 HydrophobicContact CB-CE2 4.1Å; N210-F576 HydrophobicContact CB-CZ 3.4Å; N210-F576 VanDerWaalsContact CB-CZ 3.4Å; N210-F576 PolarHBondContact ND2-O 3.32Å; L216-F576 HydrophobicContact CD1-CD2 4.08Å; L216-F576 HydrophobicContact CD1-CE2 3.66Å; L216-F576 HydrophobicContact CD1-CZ 4.46Å; I227-F576 HydrophobicContact CD1-CD2 4.32Å; I227-F576 HydrophobicContact CD1-CE2 4.23Å; I227-F576 HydrophobicContact CG1-CD2 4.05Å; I227-F576 HydrophobicContact CG1-CE2 4.44Å; I227-F576 HydrophobicContact CG2-CD2 4Å; I227-F576 HydrophobicContact CG2-CE2 4.17Å; I238-F576 VanDerWaalsContact CD1-CA 3.46Å; I238-F576 HydrophobicContact CD1-CB 3.77Å; I238-F576 VanDerWaalsContact CD1-N 3.31Å; F267-F576 HydrophobicContact CD2-CD1 4.08Å; F267-F576 HydrophobicContact CD2-CE1 4.27Å; F267-F576 HydrophobicContact CD2-CG 4.44Å; F267-F576 AromaticContact CE2-CD1 3.6Å; F267-F576 HydrophobicContact CE2-CD1 3.6Å; F267-F576 AromaticContact CE2-CD2 3.92Å; F267-F576 HydrophobicContact CE2-CD2 3.92Å; F267-F576 AromaticContact CE2-CE1 3.63Å; F267-F576 HydrophobicContact CE2-CE1 3.63Å; F267-F576 AromaticContact CE2-CE2 3.94Å; F267-F576 HydrophobicContact CE2-CE2 3.94Å; F267-F576 AromaticContact CE2-CG 3.74Å; F267-F576 HydrophobicContact CE2-CG 3.74Å; F267-F576 AromaticContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CZ-CD2 4.49Å; F267-F576 HydrophobicContact CZ-CE2 4.33Å; F267-F576 HydrophobicContact CZ-CZ 4.38Å; V268-F576 WeakPolarHBondContact O-CE1 3.34Å; F269-F576 HydrophobicContact CB-CE1 4.44Å; F269-F576 HydrophobicContact CB-CZ 3.87Å; R572-F576 PolarHBondContact O-N 2.84Å; I573-F576 PolarHBondContact O-N 2.81Å; F576-C578 VanDerWaalsContact C-N 3.27Å |
| 577 | E | 96.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -7.7 | 172.7 | -57.3 | -65.8 | -179.6 | 0 | 0 | 112.5 | K211 K212 I573 D574 E575 | K211-E577 VanDerWaalsContact CB-OE2 3.22Å; K211-E577 WeakPolarHBondContact CB-OE2 3.48Å; K211-E577 WeakPolarHBondContact CG-OE1 3.4Å; K211-E577 WeakPolarHBondContact CG-OE2 2.92Å; K211-E577 PolarHBondContact N-OE2 3.03Å; K211-E577 IonicContact NZ-OE1 3.26Å; K211-E577 PolarHBondContact NZ-OE1 2.98Å; K212-E577 WeakPolarHBondContact CD-O 3.44Å; K212-E577 WeakPolarHBondContact CE-O 3.36Å; K212-E577 PolarHBondContact NZ-O 3.24Å; I573-E577 PolarHBondContact O-N 2.78Å; I573-E577 VanDerWaalsContact O-N 3.1Å; D574-E577 PolarHBondContact O-N 3.32Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.87Å |
| 578 | C | 95.2 | Very high | 96.1 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 63% | 0.628 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -31.4 | 171.9 | -76.5 | 0 | 0 | 0 | 0 | 113.1 | K212 D574 E575 F576 | K212-C578 VanDerWaalsContact NZ-C 3.35Å; K212-C578 VanDerWaalsContact NZ-CA 3.32Å; K212-C578 PolarHBondContact NZ-O 3.01Å; D574-C578 WeakPolarHBondContact O-CB 3.47Å; D574-C578 PolarHBondContact O-N 3.18Å; D574-C578 PolarHBondContact O-SG 2.88Å; E575-C578 WeakPolarHBondContact O-CA 3.46Å; E575-C578 VanDerWaalsContact O-CB 3.29Å; E575-C578 WeakPolarHBondContact O-CB 3.26Å; E575-C578 PolarHBondContact O-N 3.15Å; F576-C578 VanDerWaalsContact C-N 3.27Å |
| 579 | M | 93.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | trans | -55.7 | 0 | 172.1 | -55.1 | -176.9 | 84.8 | 0 | 0 | 113.2 | N210 T214 L216 I227 E229 K237 I238 E575 | N210-M579 PolarHBondContact ND2-OXT 2.93Å; T214-M579 HydrophobicContact CG2-CB 4.48Å; T214-M579 VanDerWaalsContact CG2-O 3.28Å; T214-M579 WeakPolarHBondContact CG2-O 3.45Å; T214-M579 VanDerWaalsContact OG1-C 3.3Å; T214-M579 PolarHBondContact OG1-O 2.85Å; T214-M579 VanDerWaalsContact OG1-O 3.1Å; T214-M579 PolarHBondContact OG1-OXT 2.59Å; L216-M579 HydrophobicContact CD1-CB 4.34Å; L216-M579 HydrophobicContact CD1-SD 4.16Å; L216-M579 HydrophobicContact CD2-CB 4.48Å; L216-M579 HydrophobicContact CD2-CE 3.71Å; L216-M579 HydrophobicContact CD2-SD 4.08Å; I227-M579 HydrophobicContact CG2-SD 4.29Å; E229-M579 HydrophobicContact CG-CE 3.57Å; K237-M579 HydrophobicContact CB-CE 4.22Å; K237-M579 HydrophobicContact CG-CE 4.05Å; I238-M579 HydrophobicContact CD1-SD 3.87Å; E575-M579 PolarHBondContact O-N 3.44Å |
Retrieved 579 of 579 residues in 727.6 ms
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