| 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 | 49.1 | Very low | 84.9 | Confident | 201 Ų | 201 | 89.4 Ų | 89.4 | 99% | 0.99 | 50% | 0.501 | S | S | * | . | 0 | 122.4 | 0 | -71.3 | 176.9 | -174.6 | 0 | 0 | 107.9 | S3 | M1-S3 PolarHBondContact O-N 3.47Š| |||
| 2 | T | 60.7 | Low | 85.9 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | trans | -64.8 | 128.6 | 170 | -2.7 | 0 | 0 | 0 | 0 | 108.8 | Y4 D347 | T2-Y4 PolarHBondContact O-N 3.23Å; T2-D347 WeakPolarHBondContact CB-OD2 3.39Å; T2-D347 VanDerWaalsContact CG2-OD2 3.25Å; T2-D347 WeakPolarHBondContact CG2-OD2 3.32Å; T2-D347 WeakPolarHBondContact OG1-CB 3.28Å; T2-D347 PolarHBondContact OG1-OD2 2.89Å | ||
| 3 | S | 74.5 | Confident | 86.8 | Confident | 117 Ų | 117 | 80.8 Ų | 80.8 | 82% | 0.818 | 45% | 0.448 | S | S | * | . | trans | -72.3 | 114.7 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 109.4 | M1 | M1-S3 PolarHBondContact O-N 3.47Š| ||
| 4 | Y | 87.1 | Confident | 87.5 | Confident | 43 Ų | 43 | 80.5 Ų | 80.5 | 17% | 0.169 | 46% | 0.455 | C | S | . | . | trans | -70.3 | 133.8 | 164.6 | 173.3 | -103.7 | 0 | 0 | 0 | 109.2 | T2 P6 H337 L341 I465 | T2-Y4 PolarHBondContact O-N 3.23Å; Y4-P6 HydrophobicContact CD1-CG 4.09Å; Y4-P6 HydrophobicContact CE1-CB 4.05Å; Y4-P6 HydrophobicContact CE1-CG 3.78Å; Y4-H337 PolarHBondContact OH-CE1 2.7Å; Y4-H337 PolarHBondContact OH-ND1 2.75Å; Y4-L341 HydrophobicContact CE2-CD2 3.7Å; Y4-L341 HydrophobicContact CE2-CG 4.06Å; Y4-I465 HydrophobicContact CD1-CB 4.13Å; Y4-I465 HydrophobicContact CD1-CD1 3.67Å; Y4-I465 HydrophobicContact CD1-CG1 4.26Å; Y4-I465 HydrophobicContact CE1-CB 4.14Å; Y4-I465 HydrophobicContact CG-CD1 3.82Å; Y4-I465 HydrophobicContact CG-CG1 4.46Å | ||
| 5 | R | 89.6 | Confident | 88.1 | Confident | 220 Ų | 220 | 81.2 Ų | 81.2 | 83% | 0.83 | 45% | 0.453 | S | S | * | . | trans | -110.1 | 113.6 | 172.1 | -177.3 | 176.7 | 176.4 | 179.5 | -1.5 | 108.1 | E7 | R5-E7 PolarHBondContact O-N 2.8Š| ||
| 6 | P | 92.5 | Very high | 88.7 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | trans | -57.9 | 135.4 | 174.7 | -22.4 | 31.8 | 0 | 0 | 0 | 111.6 | Y4 | Y4-P6 HydrophobicContact CD1-CG 4.09Å; Y4-P6 HydrophobicContact CE1-CB 4.05Å; Y4-P6 HydrophobicContact CE1-CG 3.78Å | ||
| 7 | E | 95.7 | Very high | 89.2 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -82.8 | -30.8 | 173.8 | -178.3 | 65.2 | -162.8 | 0 | 0 | 111.8 | R5 R333 R336 H337 | R5-E7 PolarHBondContact O-N 2.8Å; E7-R333 HydrophobicContact CG-CB 4.47Å; E7-R336 HydrophobicContact CG-CB 4.09Å; E7-R336 WeakPolarHBondContact OE1-CD 3.41Å; E7-R336 IonicContact OE1-CZ 2.68Å; E7-R336 IonicContact OE1-NE 2.68Å; E7-R336 PolarHBondContact OE1-NE 3.45Å; E7-R336 IonicContact OE2-CZ 3.03Å; E7-R336 IonicContact OE2-NE 3.66Å; E7-R336 PolarHBondContact OE2-NE 3.21Å; E7-R336 IonicContact OE2-NH2 3.57Å; E7-R336 PolarHBondContact OE2-NH2 3.35Å; E7-H337 HydrophobicContact CB-CB 3.93Å; E7-H337 HydrophobicContact CG-CB 4.27Å |
| 8 | F | 96.3 | Very high | 89.6 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 5% | 0.048 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -94.7 | 142.9 | 176.6 | -52.4 | -41.7 | 0 | 0 | 0 | 110.9 | E12 I16 V322 R333 H337 Y461 | F8-E12 HydrophobicContact CB-CB 4.09Å; F8-I16 HydrophobicContact CD2-CD1 3.77Å; F8-I16 HydrophobicContact CE2-CD1 3.99Å; F8-I16 HydrophobicContact CG-CD1 4.25Å; F8-V322 HydrophobicContact CE1-CG1 3.6Å; F8-V322 HydrophobicContact CE1-CG2 4.22Å; F8-V322 HydrophobicContact CZ-CG1 4.04Å; F8-V322 HydrophobicContact CZ-CG2 4.01Å; F8-R333 HydrophobicContact CE1-CB 4.29Å; F8-H337 AromaticContact CD2-CE1 3.86Å; F8-H337 AromaticContact CD2-ND1 3.79Å; F8-H337 HydrophobicContact CE2-CB 3.96Å; F8-H337 AromaticContact CE2-CD2 3.62Å; F8-H337 AromaticContact CE2-CE1 3.79Å; F8-H337 AromaticContact CE2-CG 3.46Å; F8-H337 VanDerWaalsContact CE2-CG 3.46Å; F8-H337 AromaticContact CE2-ND1 3.62Å; F8-H337 AromaticContact CE2-NE2 3.8Å; F8-H337 HydrophobicContact CZ-CB 3.81Å; F8-H337 AromaticContact CZ-CG 3.86Å; F8-Y461 VanDerWaalsContact CE2-O 3.28Å; F8-Y461 WeakPolarHBondContact CE2-O 3.4Å |
| 9 | S | 95.5 | Very high | 90 | Very high | 55 Ų | 55 | 72.5 Ų | 72.5 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | trans | -65.4 | 160 | 168.8 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | S11 E12 Q13 | S9-S11 PolarHBondContact O-N 2.8Å; S9-E12 WeakPolarHBondContact CB-OE2 3.43Å; S9-E12 PolarHBondContact N-OE2 2.95Å; S9-E12 PolarHBondContact O-N 3.32Å; S9-E12 VanDerWaalsContact OG-CG 3.25Å; S9-E12 WeakPolarHBondContact OG-CG 3.24Å; S9-E12 PolarHBondContact OG-N 2.92Å; S9-E12 PolarHBondContact OG-OE2 3.45Å; S9-Q13 PolarHBondContact O-N 3.44Å | ||
| 10 | A | 95.2 | Very high | 90.4 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.7 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S14 | A10-S14 WeakPolarHBondContact O-CB 3.43Å; A10-S14 PolarHBondContact O-N 3.06Å; A10-S14 PolarHBondContact O-OG 3.22Å |
| 11 | S | 97.2 | Very high | 90.6 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.8 | -45.6 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | S9 S14 Q15 | S9-S11 PolarHBondContact O-N 2.8Å; S11-S14 PolarHBondContact O-N 3.36Å; S11-Q15 WeakPolarHBondContact O-CG 3.36Å; S11-Q15 PolarHBondContact O-N 3.03Å |
| 12 | E | 97.5 | Very high | 92.9 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 175.7 | -70.9 | 166.7 | 131 | 0 | 0 | 111.2 | F8 S9 S14 Q15 I16 R333 | F8-E12 HydrophobicContact CB-CB 4.09Å; S9-E12 WeakPolarHBondContact CB-OE2 3.43Å; S9-E12 PolarHBondContact N-OE2 2.95Å; S9-E12 PolarHBondContact O-N 3.32Å; S9-E12 VanDerWaalsContact OG-CG 3.25Å; S9-E12 WeakPolarHBondContact OG-CG 3.24Å; S9-E12 PolarHBondContact OG-N 2.92Å; S9-E12 PolarHBondContact OG-OE2 3.45Å; E12-S14 VanDerWaalsContact C-N 3.3Å; E12-S14 PolarHBondContact O-N 2.93Å; E12-Q15 WeakPolarHBondContact O-CB 3.37Å; E12-Q15 PolarHBondContact O-N 3.28Å; E12-Q15 VanDerWaalsContact O-N 3.13Å; E12-I16 WeakPolarHBondContact O-CG1 3.09Å; E12-I16 PolarHBondContact O-N 2.83Å; E12-R333 IonicContact OE1-CZ 3.62Å; E12-R333 VanDerWaalsContact OE1-CZ 3.24Å; E12-R333 IonicContact OE1-NH1 3.82Å; E12-R333 PolarHBondContact OE1-NH1 3.14Å; E12-R333 IonicContact OE1-NH2 2.76Å; E12-R333 PolarHBondContact OE1-NH2 3.46Å; E12-R333 IonicContact OE2-NH2 2.88Å; E12-R333 PolarHBondContact OE2-NH2 3.41Å |
| 13 | Q | 97 | Very high | 94.5 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 16% | 0.159 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.9 | -171.1 | 63.7 | 60.3 | 0 | 0 | 111.4 | S9 Q15 I16 D17 | S9-Q13 PolarHBondContact O-N 3.44Å; Q13-Q15 VanDerWaalsContact C-N 3.3Å; Q13-Q15 PolarHBondContact O-N 3.36Å; Q13-I16 PolarHBondContact O-N 3.32Å; Q13-I16 VanDerWaalsContact O-N 3.17Å; Q13-D17 PolarHBondContact NE2-OD1 3.04Å; Q13-D17 WeakPolarHBondContact O-CB 3.44Å; Q13-D17 PolarHBondContact O-N 3.16Å |
| 14 | S | 96.5 | Very high | 95.3 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 54% | 0.538 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | A10 S11 E12 A18 | A10-S14 WeakPolarHBondContact O-CB 3.43Å; A10-S14 PolarHBondContact O-N 3.06Å; A10-S14 PolarHBondContact O-OG 3.22Å; S11-S14 PolarHBondContact O-N 3.36Å; E12-S14 VanDerWaalsContact C-N 3.3Å; E12-S14 PolarHBondContact O-N 2.93Å; S14-A18 PolarHBondContact O-N 3.36Å |
| 15 | Q | 97.5 | Very high | 95.6 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 174.3 | -69.8 | 176.6 | 36.1 | 0 | 0 | 111.8 | S11 E12 Q13 E19 | S11-Q15 WeakPolarHBondContact O-CG 3.36Å; S11-Q15 PolarHBondContact O-N 3.03Å; E12-Q15 WeakPolarHBondContact O-CB 3.37Å; E12-Q15 PolarHBondContact O-N 3.28Å; E12-Q15 VanDerWaalsContact O-N 3.13Å; Q13-Q15 VanDerWaalsContact C-N 3.3Å; Q13-Q15 PolarHBondContact O-N 3.36Å; Q15-E19 WeakPolarHBondContact O-CG 3.45Å |
| 16 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -49.7 | 175 | -67.1 | 165.1 | 0 | 0 | 0 | 110 | F8 E12 Q13 A18 E19 F20 L321 V322 Y461 M462 | F8-I16 HydrophobicContact CD2-CD1 3.77Å; F8-I16 HydrophobicContact CE2-CD1 3.99Å; F8-I16 HydrophobicContact CG-CD1 4.25Å; E12-I16 WeakPolarHBondContact O-CG1 3.09Å; E12-I16 PolarHBondContact O-N 2.83Å; Q13-I16 PolarHBondContact O-N 3.32Å; Q13-I16 VanDerWaalsContact O-N 3.17Å; I16-A18 PolarHBondContact O-N 2.94Å; I16-E19 WeakPolarHBondContact O-CB 3.1Å; I16-E19 PolarHBondContact O-N 2.99Å; I16-F20 HydrophobicContact CG2-CD2 4.22Å; I16-F20 HydrophobicContact CG2-CE2 4.15Å; I16-F20 VanDerWaalsContact O-CD2 3.22Å; I16-F20 WeakPolarHBondContact O-CD2 3.44Å; I16-L321 HydrophobicContact CG1-CB 4.18Å; I16-V322 HydrophobicContact CD1-CG2 4.29Å; I16-Y461 HydrophobicContact CD1-CD2 4.37Å; I16-Y461 HydrophobicContact CG1-CD2 4.47Å; I16-Y461 HydrophobicContact CG2-CD2 4.12Å; I16-Y461 HydrophobicContact CG2-CE2 4.25Å; I16-M462 HydrophobicContact CG2-CB 3.7Å |
| 17 | D | 96.6 | Very high | 95.7 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | -178 | -65.7 | -12.8 | 0 | 0 | 0 | 112 | Q13 E19 F20 S21 | Q13-D17 PolarHBondContact NE2-OD1 3.04Å; Q13-D17 WeakPolarHBondContact O-CB 3.44Å; Q13-D17 PolarHBondContact O-N 3.16Å; D17-E19 PolarHBondContact O-N 3.05Å; D17-F20 CarbonylContact O-C 3.55Å; D17-F20 PolarHBondContact O-N 2.93Å; D17-S21 PolarHBondContact O-N 3.11Å |
| 18 | A | 96.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -28.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S14 I16 F20 | S14-A18 PolarHBondContact O-N 3.36Å; I16-A18 PolarHBondContact O-N 2.94Å; A18-F20 VanDerWaalsContact C-N 3.34Å |
| 19 | E | 97.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.5 | -179.6 | -63.5 | -75.8 | 177.7 | 0 | 0 | 113.8 | Q15 I16 D17 A40 E41 S42 R320 L321 | Q15-E19 WeakPolarHBondContact O-CG 3.45Å; I16-E19 WeakPolarHBondContact O-CB 3.1Å; I16-E19 PolarHBondContact O-N 2.99Å; D17-E19 PolarHBondContact O-N 3.05Å; E19-A40 HydrophobicContact CB-CB 3.98Å; E19-A40 HydrophobicContact CG-CB 4.41Å; E19-E41 WeakPolarHBondContact O-CG 3.35Å; E19-E41 PolarHBondContact O-N 3.5Å; E19-S42 PolarHBondContact OE1-OG 2.86Å; E19-S42 WeakPolarHBondContact OE2-CB 3.38Å; E19-S42 PolarHBondContact OE2-N 2.79Å; E19-S42 PolarHBondContact OE2-OG 3.48Å; E19-R320 IonicContact OE1-CZ 3.09Å; E19-R320 IonicContact OE1-NH1 3.85Å; E19-R320 PolarHBondContact OE1-NH1 2.91Å; E19-R320 IonicContact OE1-NH2 3.56Å; E19-R320 PolarHBondContact OE1-NH2 3.38Å; E19-R320 IonicContact OE2-NH2 3.38Å; E19-L321 HydrophobicContact CB-CD1 4.32Å; E19-L321 HydrophobicContact CG-CD1 3.88Å; E19-L321 HydrophobicContact CG-CD2 3.64Å; E19-L321 HydrophobicContact CG-CG 4.38Å |
| 20 | F | 97.2 | Very high | 96 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 30.6 | -178.9 | -58.2 | -79.7 | 0 | 0 | 0 | 111.5 | I16 D17 A18 R22 L23 L38 Y39 A40 Y461 M462 | I16-F20 HydrophobicContact CG2-CD2 4.22Å; I16-F20 HydrophobicContact CG2-CE2 4.15Å; I16-F20 VanDerWaalsContact O-CD2 3.22Å; I16-F20 WeakPolarHBondContact O-CD2 3.44Å; D17-F20 CarbonylContact O-C 3.55Å; D17-F20 PolarHBondContact O-N 2.93Å; A18-F20 VanDerWaalsContact C-N 3.34Å; F20-R22 PolarHBondContact O-N 2.98Å; F20-L23 HydrophobicContact CB-CD1 4.1Å; F20-L23 HydrophobicContact CB-CG 4.42Å; F20-L23 WeakPolarHBondContact O-CB 3.42Å; F20-L23 PolarHBondContact O-N 3.25Å; F20-L38 HydrophobicContact CD1-CB 3.95Å; F20-L38 HydrophobicContact CD1-CD1 4.39Å; F20-L38 HydrophobicContact CE1-CB 3.72Å; F20-Y39 VanDerWaalsContact CE1-O 3.23Å; F20-Y39 WeakPolarHBondContact CE1-O 3.01Å; F20-A40 HydrophobicContact CZ-CB 4.13Å; F20-Y461 HydrophobicContact CE2-CE2 4.01Å; F20-Y461 HydrophobicContact CZ-CE2 4.24Å; F20-M462 HydrophobicContact CD1-CE 4.34Å; F20-M462 HydrophobicContact CD1-CG 4.46Å; F20-M462 HydrophobicContact CD2-CB 3.51Å; F20-M462 HydrophobicContact CD2-CG 4.14Å; F20-M462 HydrophobicContact CE1-CE 3.44Å; F20-M462 VanDerWaalsContact CE1-CE 3.44Å; F20-M462 HydrophobicContact CE1-CG 4.39Å; F20-M462 HydrophobicContact CE2-CB 3.53Å; F20-M462 HydrophobicContact CE2-CE 3.87Å; F20-M462 HydrophobicContact CE2-CG 4.11Å; F20-M462 HydrophobicContact CG-CB 4.15Å; F20-M462 HydrophobicContact CG-CG 4.36Å; F20-M462 HydrophobicContact CZ-CB 4.15Å; F20-M462 HydrophobicContact CZ-CE 3.18Å; F20-M462 HydrophobicContact CZ-CG 4.25Å |
| 21 | S | 95.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -52.4 | -34.2 | -177.1 | 79.2 | 0 | 0 | 0 | 0 | 112.9 | D17 L23 A24 S25 E41 | D17-S21 PolarHBondContact O-N 3.11Å; S21-L23 PolarHBondContact O-N 3.5Å; S21-L23 VanDerWaalsContact O-N 3.13Å; S21-A24 WeakPolarHBondContact O-CB 3.23Å; S21-A24 PolarHBondContact O-N 3.21Å; S21-S25 PolarHBondContact O-N 2.81Å; S21-S25 PolarHBondContact O-OG 2.87Å; S21-E41 PolarHBondContact N-OE1 3.43Å; S21-E41 PolarHBondContact OG-OE1 3.39Å; S21-E41 PolarHBondContact OG-OE2 3.45Å |
| 22 | R | 95.7 | Very high | 96.1 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.7 | -27 | 174.6 | 69.6 | -175.8 | -176.8 | -83.6 | 5.1 | 114.8 | F20 N26 Y39 E41 | F20-R22 PolarHBondContact O-N 2.98Å; R22-N26 WeakPolarHBondContact O-CB 3.5Å; R22-N26 PolarHBondContact O-N 3.31Å; R22-N26 VanDerWaalsContact O-N 3.08Å; R22-N26 PolarHBondContact O-ND2 2.95Å; R22-Y39 VanDerWaalsContact CZ-O 3.3Å; R22-Y39 PolarHBondContact NH1-O 3.23Å; R22-Y39 PolarHBondContact NH2-O 3.07Å; R22-E41 PolarHBondContact N-OE1 3.39Å |
| 23 | L | 95.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -47.3 | 173.9 | -70.5 | 179.9 | 0 | 0 | 0 | 110.3 | F20 S21 N26 K27 S28 L38 | F20-L23 HydrophobicContact CB-CD1 4.1Å; F20-L23 HydrophobicContact CB-CG 4.42Å; F20-L23 WeakPolarHBondContact O-CB 3.42Å; F20-L23 PolarHBondContact O-N 3.25Å; S21-L23 PolarHBondContact O-N 3.5Å; S21-L23 VanDerWaalsContact O-N 3.13Å; L23-N26 CarbonylContact O-C 3.59Å; L23-N26 PolarHBondContact O-N 3.34Å; L23-K27 PolarHBondContact O-N 2.95Å; L23-S28 PolarHBondContact O-N 3.3Å; L23-L38 HydrophobicContact CD1-CD1 3.75Å; L23-L38 HydrophobicContact CD2-CD1 3.88Å; L23-L38 HydrophobicContact CG-CD1 4.1Å |
| 24 | A | 91.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S21 N26 K27 | S21-A24 WeakPolarHBondContact O-CB 3.23Å; S21-A24 PolarHBondContact O-N 3.21Å; A24-N26 VanDerWaalsContact C-N 3.27Å; A24-N26 PolarHBondContact O-N 3.1Å; A24-K27 PolarHBondContact O-N 2.7Å |
| 25 | S | 92.9 | Very high | 96 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.8 | -38.4 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | S21 K27 | S21-S25 PolarHBondContact O-N 2.81Å; S21-S25 PolarHBondContact O-OG 2.87Å; S25-K27 VanDerWaalsContact C-N 3.34Å |
| 26 | N | 92 | Very high | 95.9 | Very high | 112 Ų | 112 | 44 Ų | 44 | 60% | 0.599 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 9 | 177.3 | -66 | -56.5 | 0 | 0 | 0 | 113.4 | R22 L23 A24 S28 | R22-N26 WeakPolarHBondContact O-CB 3.5Å; R22-N26 PolarHBondContact O-N 3.31Å; R22-N26 VanDerWaalsContact O-N 3.08Å; R22-N26 PolarHBondContact O-ND2 2.95Å; L23-N26 CarbonylContact O-C 3.59Å; L23-N26 PolarHBondContact O-N 3.34Å; A24-N26 VanDerWaalsContact C-N 3.27Å; A24-N26 PolarHBondContact O-N 3.1Å; N26-S28 PolarHBondContact O-N 2.79Å; N26-S28 PolarHBondContact O-OG 2.62Å |
| 27 | K | 92.9 | Very high | 95.9 | Very high | 169 Ų | 169 | 44.5 Ų | 44.5 | 74% | 0.735 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 30.9 | -176.4 | -60.6 | -179.4 | 179.2 | 177.3 | 0 | 113.9 | L23 A24 S25 K470 | L23-K27 PolarHBondContact O-N 2.95Å; A24-K27 PolarHBondContact O-N 2.7Å; S25-K27 VanDerWaalsContact C-N 3.34Å; K27-K470 PolarHBondContact O-NZ 3.42Å; K27-K470 VanDerWaalsContact O-NZ 3.14Å |
| 28 | S | 95.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 42 Ų | 42 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | trans | -101.6 | 136 | -169.3 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | L23 N26 G404 | L23-S28 PolarHBondContact O-N 3.3Å; N26-S28 PolarHBondContact O-N 2.79Å; N26-S28 PolarHBondContact O-OG 2.62Å; S28-G404 CarbonylContact C-O 3.58Å; S28-G404 VanDerWaalsContact CA-O 3.29Å; S28-G404 WeakPolarHBondContact CA-O 3.48Å | ||
| 29 | V | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.2 | 171.8 | 170 | 0 | 0 | 0 | 0 | 107.9 | L31 G404 I405 L406 D467 K470 | V29-L31 HydrophobicContact CG1-CD1 3.96Å; V29-L31 HydrophobicContact CG1-CD2 4.36Å; V29-L31 HydrophobicContact CG1-CG 3.86Å; V29-G404 PolarHBondContact N-O 3.03Å; V29-I405 HydrophobicContact CB-CG1 4.27Å; V29-I405 HydrophobicContact CG1-CG2 4.47Å; V29-I405 CarbonylContact O-C 3.6Å; V29-I405 WeakPolarHBondContact O-CA 3.46Å; V29-L406 PolarHBondContact O-N 3.09Å; V29-D467 HydrophobicContact CG1-CB 3.69Å; V29-K470 HydrophobicContact CG2-CB 4.34Å; V29-K470 HydrophobicContact CG2-CD 3.6Å; V29-K470 HydrophobicContact CG2-CG 4.17Å |
| 30 | Y | 98.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 9% | 0.09 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.3 | -175.9 | -171.7 | -98.2 | 0 | 0 | 0 | 111.7 | D32 H33 T36 L38 L406 | Y30-D32 HydrophobicContact CE1-CB 4.48Å; Y30-D32 HydrophobicContact CE2-CB 4.25Å; Y30-D32 PolarHBondContact OH-O 2.8Å; Y30-H33 AromaticContact CD1-CD2 3.86Å; Y30-H33 AromaticContact CD1-CE1 3.56Å; Y30-H33 AromaticContact CD1-NE2 3.41Å; Y30-H33 WeakPolarHBondContact CD1-NE2 3.39Å; Y30-H33 AromaticContact CE1-CE1 3.89Å; Y30-H33 AromaticContact CE1-ND1 3.99Å; Y30-H33 AromaticContact CE1-NE2 4Å; Y30-T36 WeakPolarHBondContact CE1-O 3.28Å; Y30-T36 WeakPolarHBondContact OH-CG2 3.48Å; Y30-T36 PolarHBondContact OH-O 3.25Å; Y30-L38 HydrophobicContact CD1-CD1 3.69Å; Y30-L38 HydrophobicContact CD1-CD2 4.09Å; Y30-L38 HydrophobicContact CD1-CG 3.63Å; Y30-L38 HydrophobicContact CD2-CD2 4.28Å; Y30-L38 HydrophobicContact CE1-CD1 4.43Å; Y30-L38 HydrophobicContact CE1-CD2 4.09Å; Y30-L38 HydrophobicContact CE1-CG 3.88Å; Y30-L38 HydrophobicContact CE2-CD2 4.29Å; Y30-L38 HydrophobicContact CG-CD1 3.75Å; Y30-L38 HydrophobicContact CG-CD2 4.2Å; Y30-L38 HydrophobicContact CG-CG 4.04Å; Y30-L406 HydrophobicContact CD2-CB 3.74Å; Y30-L406 HydrophobicContact CD2-CD2 4.08Å; Y30-L406 HydrophobicContact CD2-CG 4.45Å; Y30-L406 HydrophobicContact CE2-CB 4.28Å |
| 31 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -135.5 | 26.6 | -170.9 | -67.8 | 179.9 | 0 | 0 | 0 | 113 | V29 I405 L406 L407 V457 S458 F459 T463 L471 | V29-L31 HydrophobicContact CG1-CD1 3.96Å; V29-L31 HydrophobicContact CG1-CD2 4.36Å; V29-L31 HydrophobicContact CG1-CG 3.86Å; L31-I405 HydrophobicContact CD1-CG2 3.87Å; L31-L406 CarbonylContact C-O 3.55Å; L31-L406 WeakPolarHBondContact CA-O 3.27Å; L31-L406 PolarHBondContact N-O 2.9Å; L31-L407 HydrophobicContact CB-CB 4.45Å; L31-V457 HydrophobicContact CB-CG1 4.11Å; L31-V457 HydrophobicContact CD1-CG1 4.09Å; L31-V457 HydrophobicContact CD2-CG1 4.26Å; L31-V457 HydrophobicContact CG-CG1 4.38Å; L31-S458 CarbonylContact C-O 3.56Å; L31-S458 PolarHBondContact O-N 3.32Å; L31-S458 VanDerWaalsContact O-O 3.11Å; L31-S458 PolarHBondContact O-OG 3.46Å; L31-F459 HydrophobicContact CD2-CD1 3.94Å; L31-F459 HydrophobicContact CD2-CE1 3.8Å; L31-T463 HydrophobicContact CD2-CG2 3.81Å; L31-L471 HydrophobicContact CD1-CB 4.04Å; L31-L471 HydrophobicContact CD1-CD2 4.05Å; L31-L471 HydrophobicContact CD1-CG 4.47Å | ||
| 32 | D | 97.7 | Very high | 96 | Very high | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 35.1 | 180 | -168.6 | 29.3 | 0 | 0 | 0 | 114 | Y30 A34 G35 T36 R408 R456 S458 | Y30-D32 HydrophobicContact CE1-CB 4.48Å; Y30-D32 HydrophobicContact CE2-CB 4.25Å; Y30-D32 PolarHBondContact OH-O 2.8Å; D32-A34 PolarHBondContact O-N 2.84Å; D32-A34 VanDerWaalsContact O-N 3.15Å; D32-G35 PolarHBondContact O-N 2.97Å; D32-T36 PolarHBondContact O-N 2.96Å; D32-T36 VanDerWaalsContact O-O 3.09Å; D32-R408 WeakPolarHBondContact OD1-CB 3.42Å; D32-R456 IonicContact OD1-CZ 2.82Å; D32-R456 IonicContact OD1-NE 3.7Å; D32-R456 IonicContact OD1-NH2 2.68Å; D32-R456 PolarHBondContact OD1-NH2 3.45Å; D32-S458 VanDerWaalsContact C-OG 3.25Å; D32-S458 WeakPolarHBondContact CA-OG 3.34Å |
| 33 | H | 98.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.2 | -178 | -69.6 | -82.4 | 0 | 0 | 0 | 115.3 | Y30 G35 T36 T37 S458 G460 M462 T463 | Y30-H33 AromaticContact CD1-CD2 3.86Å; Y30-H33 AromaticContact CD1-CE1 3.56Å; Y30-H33 AromaticContact CD1-NE2 3.41Å; Y30-H33 WeakPolarHBondContact CD1-NE2 3.39Å; Y30-H33 AromaticContact CE1-CE1 3.89Å; Y30-H33 AromaticContact CE1-ND1 3.99Å; Y30-H33 AromaticContact CE1-NE2 4Å; H33-G35 VanDerWaalsContact C-N 3.31Å; H33-T36 WeakPolarHBondContact CA-O 3.23Å; H33-T37 PolarHBondContact ND1-OG1 3.02Å; H33-S458 PolarHBondContact CD2-O 2.93Å; H33-S458 VanDerWaalsContact CD2-O 3.29Å; H33-S458 PolarHBondContact N-O 3.4Å; H33-S458 PolarHBondContact N-OG 2.89Å; H33-G460 PolarHBondContact CD2-N 3.35Å; H33-M462 PolarHBondContact CE1-SD 2.96Å; H33-T463 PolarHBondContact NE2-OG1 3.16Å |
| 34 | A | 96.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D32 I378 S458 | D32-A34 PolarHBondContact O-N 2.84Å; D32-A34 VanDerWaalsContact O-N 3.15Å; A34-I378 HydrophobicContact CB-CD1 3.57Å; A34-I378 HydrophobicContact CB-CG1 4.19Å; A34-S458 WeakPolarHBondContact CB-OG 3.46Å; A34-S458 PolarHBondContact N-OG 2.84Å |
| 35 | G | 93.7 | Very high | 96.4 | Very high | 22 Ų | 22 | 43 Ų | 43 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -59.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D32 H33 Y245 R456 | D32-G35 PolarHBondContact O-N 2.97Å; H33-G35 VanDerWaalsContact C-N 3.31Å; G35-Y245 WeakPolarHBondContact O-CE2 3.42Å; G35-Y245 PolarHBondContact O-OH 2.8Å; G35-R456 VanDerWaalsContact N-NH2 3.12Å |
| 36 | T | 95.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 29% | 0.288 | 22% | 0.215 | S | C | . | . | trans | -149.9 | 138.6 | 176.2 | -142.3 | 0 | 0 | 0 | 0 | 108.1 | Y30 D32 H33 Y245 | Y30-T36 WeakPolarHBondContact CE1-O 3.28Å; Y30-T36 WeakPolarHBondContact OH-CG2 3.48Å; Y30-T36 PolarHBondContact OH-O 3.25Å; D32-T36 PolarHBondContact O-N 2.96Å; D32-T36 VanDerWaalsContact O-O 3.09Å; H33-T36 WeakPolarHBondContact CA-O 3.23Å; T36-Y245 WeakPolarHBondContact OG1-CD2 3.46Å; T36-Y245 WeakPolarHBondContact OG1-CE2 3.29Å | ||
| 37 | T | 97.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -88 | 168.4 | 168.2 | -161 | 0 | 0 | 0 | 0 | 110.3 | H33 K246 I247 G249 | H33-T37 PolarHBondContact ND1-OG1 3.02Å; T37-K246 WeakPolarHBondContact CG2-O 3.42Å; T37-I247 WeakPolarHBondContact CG2-O 3.37Å; T37-G249 WeakPolarHBondContact O-CA 2.81Å |
| 38 | L | 97.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 143 | 178.3 | -63.3 | 178.9 | 0 | 0 | 0 | 110.5 | F20 L23 Y30 M462 | F20-L38 HydrophobicContact CD1-CB 3.95Å; F20-L38 HydrophobicContact CD1-CD1 4.39Å; F20-L38 HydrophobicContact CE1-CB 3.72Å; L23-L38 HydrophobicContact CD1-CD1 3.75Å; L23-L38 HydrophobicContact CD2-CD1 3.88Å; L23-L38 HydrophobicContact CG-CD1 4.1Å; Y30-L38 HydrophobicContact CD1-CD1 3.69Å; Y30-L38 HydrophobicContact CD1-CD2 4.09Å; Y30-L38 HydrophobicContact CD1-CG 3.63Å; Y30-L38 HydrophobicContact CD2-CD2 4.28Å; Y30-L38 HydrophobicContact CE1-CD1 4.43Å; Y30-L38 HydrophobicContact CE1-CD2 4.09Å; Y30-L38 HydrophobicContact CE1-CG 3.88Å; Y30-L38 HydrophobicContact CE2-CD2 4.29Å; Y30-L38 HydrophobicContact CG-CD1 3.75Å; Y30-L38 HydrophobicContact CG-CD2 4.2Å; Y30-L38 HydrophobicContact CG-CG 4.04Å; L38-M462 HydrophobicContact CB-CE 4.09Å; L38-M462 VanDerWaalsContact O-CE 3.3Å; L38-M462 WeakPolarHBondContact O-CE 3.47Å |
| 39 | Y | 97.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 32.3 Ų | 32.3 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -81.2 | 144.2 | 172 | 48.3 | -94.7 | 0 | 0 | 0 | 111.6 | F20 R22 V44 F248 | F20-Y39 VanDerWaalsContact CE1-O 3.23Å; F20-Y39 WeakPolarHBondContact CE1-O 3.01Å; R22-Y39 VanDerWaalsContact CZ-O 3.3Å; R22-Y39 PolarHBondContact NH1-O 3.23Å; R22-Y39 PolarHBondContact NH2-O 3.07Å; Y39-V44 HydrophobicContact CD2-CG2 3.53Å; Y39-V44 HydrophobicContact CE2-CG2 4.1Å; Y39-V44 HydrophobicContact CG-CG2 4.11Å; Y39-F248 WeakPolarHBondContact CA-O 3.45Å |
| 40 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 148.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | E19 F20 Q43 V44 T317 L321 | E19-A40 HydrophobicContact CB-CB 3.98Å; E19-A40 HydrophobicContact CG-CB 4.41Å; F20-A40 HydrophobicContact CZ-CB 4.13Å; A40-Q43 HydrophobicContact CB-CB 4.05Å; A40-Q43 WeakPolarHBondContact O-CB 3.5Å; A40-Q43 PolarHBondContact O-N 2.88Å; A40-V44 PolarHBondContact O-N 3.19Å; A40-T317 HydrophobicContact CB-CG2 3.6Å; A40-L321 HydrophobicContact CB-CD1 4.2Å |
| 41 | E | 97.5 | Very high | 96 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.3 | -76.8 | 173.3 | -153.6 | 0 | 0 | 111.8 | E19 S21 R22 Q43 V44 T45 | E19-E41 WeakPolarHBondContact O-CG 3.35Å; E19-E41 PolarHBondContact O-N 3.5Å; S21-E41 PolarHBondContact N-OE1 3.43Å; S21-E41 PolarHBondContact OG-OE1 3.39Å; S21-E41 PolarHBondContact OG-OE2 3.45Å; R22-E41 PolarHBondContact N-OE1 3.39Å; E41-Q43 VanDerWaalsContact C-N 3.27Å; E41-Q43 PolarHBondContact O-N 3.24Å; E41-V44 PolarHBondContact O-N 3.49Å; E41-T45 PolarHBondContact O-N 2.83Å; E41-T45 VanDerWaalsContact O-N 3.1Å; E41-T45 PolarHBondContact O-OG1 2.78Å |
| 42 | S | 96.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -31.2 | 177.4 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | E19 V44 T45 A46 R320 | E19-S42 PolarHBondContact OE1-OG 2.86Å; E19-S42 WeakPolarHBondContact OE2-CB 3.38Å; E19-S42 PolarHBondContact OE2-N 2.79Å; E19-S42 PolarHBondContact OE2-OG 3.48Å; S42-V44 VanDerWaalsContact C-N 3.34Å; S42-V44 PolarHBondContact O-N 2.79Å; S42-T45 PolarHBondContact O-N 2.88Å; S42-A46 WeakPolarHBondContact O-CB 3.31Å; S42-A46 PolarHBondContact O-N 2.8Å; S42-R320 PolarHBondContact OG-NH2 2.63Å |
| 43 | Q | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.6 | 179.7 | -170.7 | -10.9 | 0 | 0 | 110.7 | A40 E41 A47 F248 Y250 E313 T317 | A40-Q43 HydrophobicContact CB-CB 4.05Å; A40-Q43 WeakPolarHBondContact O-CB 3.5Å; A40-Q43 PolarHBondContact O-N 2.88Å; E41-Q43 VanDerWaalsContact C-N 3.27Å; E41-Q43 PolarHBondContact O-N 3.24Å; Q43-A47 WeakPolarHBondContact O-CB 3.42Å; Q43-A47 PolarHBondContact O-N 2.85Å; Q43-F248 PolarHBondContact OE1-O 3.04Å; Q43-F248 VanDerWaalsContact OE1-O 3.12Å; Q43-Y250 PolarHBondContact NE2-O 3Å; Q43-E313 HydrophobicContact CG-CB 4.22Å; Q43-T317 HydrophobicContact CB-CG2 4.23Å |
| 44 | V | 96.5 | Very high | 94.9 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 30% | 0.297 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | Y39 A40 E41 S42 A47 A48 Y250 | Y39-V44 HydrophobicContact CD2-CG2 3.53Å; Y39-V44 HydrophobicContact CE2-CG2 4.1Å; Y39-V44 HydrophobicContact CG-CG2 4.11Å; A40-V44 PolarHBondContact O-N 3.19Å; E41-V44 PolarHBondContact O-N 3.49Å; S42-V44 VanDerWaalsContact C-N 3.34Å; S42-V44 PolarHBondContact O-N 2.79Å; V44-A47 PolarHBondContact O-N 2.94Å; V44-A48 WeakPolarHBondContact O-CB 3.27Å; V44-A48 PolarHBondContact O-N 3.45Å; V44-Y250 HydrophobicContact CG2-CG 4.33Å |
| 45 | T | 96.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | E41 S42 A47 A48 E49 | E41-T45 PolarHBondContact O-N 2.83Å; E41-T45 VanDerWaalsContact O-N 3.1Å; E41-T45 PolarHBondContact O-OG1 2.78Å; S42-T45 PolarHBondContact O-N 2.88Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 3.15Å; T45-A48 PolarHBondContact O-N 3.07Å; T45-E49 WeakPolarHBondContact O-CG 3.45Å; T45-E49 PolarHBondContact O-N 2.88Å |
| 46 | A | 96 | Very high | 94 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 20% | 0.198 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S42 E49 Q50 E313 | S42-A46 WeakPolarHBondContact O-CB 3.31Å; S42-A46 PolarHBondContact O-N 2.8Å; A46-E49 PolarHBondContact O-N 3.02Å; A46-Q50 WeakPolarHBondContact O-CB 3.31Å; A46-Q50 PolarHBondContact O-N 3.26Å; A46-E313 HydrophobicContact CB-CB 4.41Å; A46-E313 HydrophobicContact CB-CG 3.98Å |
| 47 | A | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q43 V44 T45 Q50 L51 Y250 E313 | Q43-A47 WeakPolarHBondContact O-CB 3.42Å; Q43-A47 PolarHBondContact O-N 2.85Å; V44-A47 PolarHBondContact O-N 2.94Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 3.15Å; A47-Q50 PolarHBondContact O-N 3.43Å; A47-L51 VanDerWaalsContact O-CG 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.34Å; A47-L51 PolarHBondContact O-N 3.19Å; A47-L51 VanDerWaalsContact O-N 3.08Å; A47-Y250 HydrophobicContact CB-CE1 3.96Å; A47-E313 HydrophobicContact CB-CG 4.33Å |
| 48 | A | 95.3 | Very high | 93 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V44 T45 Q50 L51 Q52 | V44-A48 WeakPolarHBondContact O-CB 3.27Å; V44-A48 PolarHBondContact O-N 3.45Å; T45-A48 PolarHBondContact O-N 3.07Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.4Å; A48-L51 PolarHBondContact O-N 3.41Å; A48-Q52 VanDerWaalsContact O-CG 3.3Å; A48-Q52 WeakPolarHBondContact O-CG 3.49Å; A48-Q52 PolarHBondContact O-N 2.85Å |
| 49 | E | 95.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 175.3 | -73 | 175.5 | -179.4 | 0 | 0 | 111.9 | T45 A46 L51 Q52 R53 | T45-E49 WeakPolarHBondContact O-CG 3.45Å; T45-E49 PolarHBondContact O-N 2.88Å; A46-E49 PolarHBondContact O-N 3.02Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 3.34Å; E49-Q52 PolarHBondContact O-N 3.04Å; E49-R53 VanDerWaalsContact O-CB 3.28Å; E49-R53 WeakPolarHBondContact O-CB 3.42Å; E49-R53 PolarHBondContact O-N 2.83Å |
| 50 | Q | 91 | Very high | 91.3 | Very high | 19 Ų | 19 | 64 Ų | 64 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.4 | -170.4 | -178.2 | 14.8 | 0 | 0 | 111.5 | A46 A47 A48 N54 E313 | A46-Q50 WeakPolarHBondContact O-CB 3.31Å; A46-Q50 PolarHBondContact O-N 3.26Å; A47-Q50 PolarHBondContact O-N 3.43Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.4Å; Q50-N54 WeakPolarHBondContact CG-ND2 3.32Å; Q50-N54 WeakPolarHBondContact O-CB 3.32Å; Q50-N54 PolarHBondContact O-N 2.89Å; Q50-N54 VanDerWaalsContact O-N 3.08Å; Q50-N54 PolarHBondContact O-ND2 2.85Å; Q50-E313 PolarHBondContact OE1-OE1 3.35Å |
| 51 | L | 90.6 | Very high | 90.5 | Very high | 71 Ų | 71 | 69.7 Ų | 69.7 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.9 | -31.8 | 176.8 | -67.4 | -179 | 0 | 0 | 0 | 113.1 | A47 A48 E49 I56 L306 | A47-L51 VanDerWaalsContact O-CG 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.34Å; A47-L51 PolarHBondContact O-N 3.19Å; A47-L51 VanDerWaalsContact O-N 3.08Å; A48-L51 PolarHBondContact O-N 3.41Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 3.34Å; L51-I56 HydrophobicContact CD2-CD1 4.17Å; L51-L306 HydrophobicContact CD2-CB 4.47Å; L51-L306 HydrophobicContact CD2-CD2 3.73Å |
| 52 | Q | 92.7 | Very high | 89.7 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 77% | 0.766 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -74.2 | -35.2 | 175 | -72.2 | 171.7 | 8.1 | 0 | 0 | 112.3 | A48 E49 | A48-Q52 VanDerWaalsContact O-CG 3.3Å; A48-Q52 WeakPolarHBondContact O-CG 3.49Å; A48-Q52 PolarHBondContact O-N 2.85Å; E49-Q52 PolarHBondContact O-N 3.04Å |
| 53 | R | 90.8 | Very high | 89.1 | Confident | 219 Ų | 219 | 75.9 Ų | 75.9 | 83% | 0.826 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -81.3 | -38 | -176.6 | -177.3 | 177 | 176.3 | 179.9 | -0.2 | 113.3 | E49 | E49-R53 VanDerWaalsContact O-CB 3.28Å; E49-R53 WeakPolarHBondContact O-CB 3.42Å; E49-R53 PolarHBondContact O-N 2.83Å |
| 54 | N | 86.8 | Confident | 88.6 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -108.8 | 135.8 | -171.1 | -56.8 | -64.5 | 0 | 0 | 0 | 111.5 | Q50 I56 | Q50-N54 WeakPolarHBondContact CG-ND2 3.32Å; Q50-N54 WeakPolarHBondContact O-CB 3.32Å; Q50-N54 PolarHBondContact O-N 2.89Å; Q50-N54 VanDerWaalsContact O-N 3.08Å; Q50-N54 PolarHBondContact O-ND2 2.85Å; N54-I56 VanDerWaalsContact C-N 3.33Å; N54-I56 HydrophobicContact CB-CD1 4.29Å; N54-I56 HydrophobicContact CB-CG1 3.85Å; N54-I56 PolarHBondContact O-N 2.83Å |
| 55 | V | 85.8 | Confident | 88.3 | Confident | 123 Ų | 123 | 77 Ų | 77 | 75% | 0.745 | 39% | 0.393 | S | S | * | . | trans | -79.2 | 85.1 | 170.2 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 56 | I | 86.3 | Confident | 87.9 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | trans | -93.5 | 106.4 | 174.4 | -47.9 | -176.2 | 0 | 0 | 0 | 107.7 | L51 N54 T65 F68 F305 L306 V309 | L51-I56 HydrophobicContact CD2-CD1 4.17Å; N54-I56 VanDerWaalsContact C-N 3.33Å; N54-I56 HydrophobicContact CB-CD1 4.29Å; N54-I56 HydrophobicContact CB-CG1 3.85Å; N54-I56 PolarHBondContact O-N 2.83Å; I56-T65 HydrophobicContact CG2-CG2 3.67Å; I56-T65 WeakPolarHBondContact CG2-OG1 3.37Å; I56-F68 HydrophobicContact CD1-CD2 4.22Å; I56-F68 HydrophobicContact CD1-CE2 4.15Å; I56-F68 HydrophobicContact CG1-CD2 4.5Å; I56-F68 HydrophobicContact CG1-CE2 4.33Å; I56-F305 HydrophobicContact CG2-CD2 3.69Å; I56-F305 HydrophobicContact CG2-CE2 3.89Å; I56-L306 HydrophobicContact CB-CD2 3.93Å; I56-L306 HydrophobicContact CG2-CD2 3.85Å; I56-V309 HydrophobicContact CD1-CB 4.5Å; I56-V309 HydrophobicContact CD1-CG1 3.94Å; I56-V309 HydrophobicContact CD1-CG2 4.34Å; I56-V309 HydrophobicContact CG2-CG2 4.47Å | ||
| 57 | C | 86.9 | Confident | 87.7 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | trans | -123.5 | -170.1 | 179.8 | 74.3 | 0 | 0 | 0 | 0 | 110.7 | C62 T65 F305 | C57-C62 WeakPolarHBondContact SG-CB 3.31Å; C57-T65 PolarHBondContact N-OG1 2.68Å; C57-T65 WeakPolarHBondContact O-CB 3.13Å; C57-T65 WeakPolarHBondContact O-CG2 3.28Å; C57-T65 PolarHBondContact O-OG1 2.92Å; C57-F305 WeakPolarHBondContact O-CE2 3.33Å | ||
| 58 | N | 85.1 | Confident | 87.6 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | trans | -52.1 | 132 | -175.3 | -169.7 | -59.9 | 0 | 0 | 0 | 111 | H60 T61 C62 T302 | N58-H60 PolarHBondContact O-N 2.79Å; N58-H60 WeakPolarHBondContact OD1-CB 3.39Å; N58-H60 PolarHBondContact OD1-CD2 3.14Å; N58-H60 PolarHBondContact OD1-N 2.99Å; N58-T61 WeakPolarHBondContact O-CA 3.18Å; N58-T61 PolarHBondContact O-N 3.35Å; N58-C62 PolarHBondContact O-N 2.94Å; N58-T302 PolarHBondContact ND2-OG1 3.2Å | ||
| 59 | P | 81.8 | Confident | 87.5 | Confident | 48 Ų | 48 | 76 Ų | 76 | 31% | 0.312 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.3 | -178.7 | 22.7 | -34 | 0 | 0 | 0 | 114 | T61 T65 | P59-T61 VanDerWaalsContact C-N 3.28Å; P59-T61 PolarHBondContact O-N 2.78Å; P59-T65 HydrophobicContact CB-CG2 4.26Å |
| 60 | H | 76.7 | Confident | 87.4 | Confident | 124 Ų | 124 | 73.7 Ų | 73.7 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.2 | 171.6 | -65.8 | -67.3 | 0 | 0 | 0 | 113.9 | N58 | N58-H60 PolarHBondContact O-N 2.79Å; N58-H60 WeakPolarHBondContact OD1-CB 3.39Å; N58-H60 PolarHBondContact OD1-CD2 3.14Å; N58-H60 PolarHBondContact OD1-N 2.99Å |
| 61 | T | 80.7 | Confident | 87.7 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 72% | 0.724 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -37.7 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | N58 P59 | N58-T61 WeakPolarHBondContact O-CA 3.18Å; N58-T61 PolarHBondContact O-N 3.35Å; P59-T61 VanDerWaalsContact C-N 3.28Å; P59-T61 PolarHBondContact O-N 2.78Å |
| 62 | C | 81.6 | Confident | 88 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | trans | -121.3 | 106.4 | -171.9 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | C57 N58 L64 T65 | C57-C62 WeakPolarHBondContact SG-CB 3.31Å; N58-C62 PolarHBondContact O-N 2.94Å; C62-L64 PolarHBondContact O-N 3.38Å; C62-T65 WeakPolarHBondContact O-CB 3.19Å; C62-T65 PolarHBondContact O-N 2.84Å | ||
| 63 | R | 84 | Confident | 88.2 | Confident | 212 Ų | 212 | 66.8 Ų | 66.8 | 80% | 0.8 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -55.4 | -37.7 | 176.7 | -174.9 | 176.6 | 176.4 | 171.7 | 1.3 | 112.7 | T65 G66 D67 | R63-T65 PolarHBondContact O-N 2.81Å; R63-G66 WeakPolarHBondContact O-CA 3.31Å; R63-G66 PolarHBondContact O-N 2.78Å; R63-D67 PolarHBondContact O-N 2.81Å |
| 64 | L | 86.6 | Confident | 88.6 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.5 | -33.2 | 176.6 | 178.5 | 68.2 | 0 | 0 | 0 | 112.4 | C62 D67 F68 | C62-L64 PolarHBondContact O-N 3.38Å; L64-D67 PolarHBondContact O-N 2.83Å; L64-F68 HydrophobicContact CD1-CD2 4.34Å; L64-F68 HydrophobicContact CD1-CE2 3.87Å; L64-F68 HydrophobicContact CD1-CZ 4.33Å; L64-F68 HydrophobicContact CD2-CE2 4.02Å; L64-F68 HydrophobicContact CG-CD2 4.02Å; L64-F68 HydrophobicContact CG-CE2 3.64Å; L64-F68 WeakPolarHBondContact O-CD2 3.23Å; L64-F68 PolarHBondContact O-N 2.87Å |
| 65 | T | 88.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 176.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | I56 C57 P59 C62 R63 D67 F68 V69 F305 | I56-T65 HydrophobicContact CG2-CG2 3.67Å; I56-T65 WeakPolarHBondContact CG2-OG1 3.37Å; C57-T65 PolarHBondContact N-OG1 2.68Å; C57-T65 WeakPolarHBondContact O-CB 3.13Å; C57-T65 WeakPolarHBondContact O-CG2 3.28Å; C57-T65 PolarHBondContact O-OG1 2.92Å; P59-T65 HydrophobicContact CB-CG2 4.26Å; C62-T65 WeakPolarHBondContact O-CB 3.19Å; C62-T65 PolarHBondContact O-N 2.84Å; R63-T65 PolarHBondContact O-N 2.81Å; T65-D67 VanDerWaalsContact C-N 3.33Å; T65-F68 PolarHBondContact O-N 3.37Å; T65-V69 WeakPolarHBondContact O-CG2 3.49Å; T65-V69 PolarHBondContact O-N 2.85Å; T65-V69 VanDerWaalsContact O-N 3.1Å; T65-F305 HydrophobicContact CG2-CB 3.86Å; T65-F305 HydrophobicContact CG2-CD2 3.52Å; T65-F305 HydrophobicContact CG2-CE2 4.25Å; T65-F305 HydrophobicContact CG2-CG 3.81Å |
| 66 | G | 89.5 | Confident | 89.7 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R63 F68 V69 D70 | R63-G66 WeakPolarHBondContact O-CA 3.31Å; R63-G66 PolarHBondContact O-N 2.78Å; G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 3.23Å; G66-V69 PolarHBondContact O-N 3.2Å; G66-V69 VanDerWaalsContact O-N 3.15Å; G66-D70 PolarHBondContact O-N 3Å |
| 67 | D | 90.6 | Very high | 90.3 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 178.7 | -60.1 | -25.4 | 0 | 0 | 0 | 112 | R63 L64 T65 D70 Q71 | R63-D67 PolarHBondContact O-N 2.81Å; L64-D67 PolarHBondContact O-N 2.83Å; T65-D67 VanDerWaalsContact C-N 3.33Å; D67-D70 PolarHBondContact O-N 3.05Å; D67-Q71 WeakPolarHBondContact O-CB 3.3Å; D67-Q71 VanDerWaalsContact O-CG 3.27Å; D67-Q71 WeakPolarHBondContact O-CG 3.28Å; D67-Q71 PolarHBondContact O-N 3.18Å |
| 68 | F | 92.3 | Very high | 90.8 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.3 | -79.9 | -59.4 | 0 | 0 | 0 | 112.9 | I56 L64 T65 G66 D70 Q71 V72 V309 L312 | I56-F68 HydrophobicContact CD1-CD2 4.22Å; I56-F68 HydrophobicContact CD1-CE2 4.15Å; I56-F68 HydrophobicContact CG1-CD2 4.5Å; I56-F68 HydrophobicContact CG1-CE2 4.33Å; L64-F68 HydrophobicContact CD1-CD2 4.34Å; L64-F68 HydrophobicContact CD1-CE2 3.87Å; L64-F68 HydrophobicContact CD1-CZ 4.33Å; L64-F68 HydrophobicContact CD2-CE2 4.02Å; L64-F68 HydrophobicContact CG-CD2 4.02Å; L64-F68 HydrophobicContact CG-CE2 3.64Å; L64-F68 WeakPolarHBondContact O-CD2 3.23Å; L64-F68 PolarHBondContact O-N 2.87Å; T65-F68 PolarHBondContact O-N 3.37Å; G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 3.23Å; F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 2.91Å; F68-Q71 WeakPolarHBondContact O-CB 3.34Å; F68-Q71 PolarHBondContact O-N 2.94Å; F68-V72 WeakPolarHBondContact O-CG2 3.35Å; F68-V72 PolarHBondContact O-N 3.15Å; F68-V309 HydrophobicContact CB-CG1 4.45Å; F68-V309 HydrophobicContact CB-CG2 3.6Å; F68-V309 HydrophobicContact CD1-CG1 4.39Å; F68-V309 HydrophobicContact CG-CG1 4.33Å; F68-V309 HydrophobicContact CG-CG2 4.2Å; F68-L312 HydrophobicContact CD1-CD1 4.03Å |
| 69 | V | 93.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | T65 G66 V72 R73 F91 L303 F305 I308 | T65-V69 WeakPolarHBondContact O-CG2 3.49Å; T65-V69 PolarHBondContact O-N 2.85Å; T65-V69 VanDerWaalsContact O-N 3.1Å; G66-V69 PolarHBondContact O-N 3.2Å; G66-V69 VanDerWaalsContact O-N 3.15Å; V69-V72 WeakPolarHBondContact O-CB 3.44Å; V69-V72 PolarHBondContact O-N 3.17Å; V69-R73 PolarHBondContact O-N 2.74Å; V69-F91 HydrophobicContact CG1-CD2 4.3Å; V69-F91 HydrophobicContact CG1-CE2 3.65Å; V69-F91 HydrophobicContact CG1-CZ 4.44Å; V69-L303 HydrophobicContact CG1-CD1 4.48Å; V69-F305 HydrophobicContact CG2-CB 4.18Å; V69-I308 HydrophobicContact CG1-CG2 4.31Å; V69-I308 HydrophobicContact CG2-CG2 4.21Å |
| 70 | D | 93.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.5 | -72.2 | -22.6 | 0 | 0 | 0 | 112.2 | G66 D67 F68 V72 R73 F74 | G66-D70 PolarHBondContact O-N 3Å; D67-D70 PolarHBondContact O-N 3.05Å; F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 2.91Å; D70-V72 VanDerWaalsContact C-N 3.26Å; D70-V72 PolarHBondContact O-N 3.13Å; D70-R73 WeakPolarHBondContact O-CB 3.28Å; D70-R73 PolarHBondContact O-N 2.84Å; D70-R73 VanDerWaalsContact O-N 3.1Å; D70-R73 IonicContact OD1-CZ 3.17Å; D70-R73 IonicContact OD1-NH1 2.69Å; D70-R73 PolarHBondContact OD1-NH1 2.78Å; D70-F74 HydrophobicContact CB-CE2 4.38Å; D70-F74 WeakPolarHBondContact O-CD2 3.16Å; D70-F74 PolarHBondContact O-N 2.79Å |
| 71 | Q | 95.6 | Very high | 93.3 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.3 | -41.5 | 170.6 | -76.8 | 173.4 | 35.3 | 0 | 0 | 112.1 | D67 F68 F74 K75 | D67-Q71 WeakPolarHBondContact O-CB 3.3Å; D67-Q71 VanDerWaalsContact O-CG 3.27Å; D67-Q71 WeakPolarHBondContact O-CG 3.28Å; D67-Q71 PolarHBondContact O-N 3.18Å; F68-Q71 WeakPolarHBondContact O-CB 3.34Å; F68-Q71 PolarHBondContact O-N 2.94Å; Q71-F74 PolarHBondContact O-N 2.67Å; Q71-K75 WeakPolarHBondContact O-CG 3.43Å; Q71-K75 PolarHBondContact O-N 3.11Å |
| 72 | V | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | F68 V69 D70 F74 K75 I76 F91 I308 L311 L312 | F68-V72 WeakPolarHBondContact O-CG2 3.35Å; F68-V72 PolarHBondContact O-N 3.15Å; V69-V72 WeakPolarHBondContact O-CB 3.44Å; V69-V72 PolarHBondContact O-N 3.17Å; D70-V72 VanDerWaalsContact C-N 3.26Å; D70-V72 PolarHBondContact O-N 3.13Å; V72-F74 VanDerWaalsContact C-N 3.34Å; V72-F74 PolarHBondContact O-N 3.17Å; V72-K75 PolarHBondContact O-N 2.87Å; V72-I76 HydrophobicContact CG1-CD1 3.8Å; V72-I76 HydrophobicContact CG1-CG1 4.36Å; V72-I76 WeakPolarHBondContact O-CD1 3.32Å; V72-I76 VanDerWaalsContact O-CG1 3.26Å; V72-I76 WeakPolarHBondContact O-CG1 3.47Å; V72-I76 PolarHBondContact O-N 2.78Å; V72-F91 HydrophobicContact CB-CZ 4.35Å; V72-F91 HydrophobicContact CG1-CE1 4.08Å; V72-F91 HydrophobicContact CG1-CZ 3.92Å; V72-I308 HydrophobicContact CB-CG2 3.94Å; V72-I308 HydrophobicContact CG1-CG2 3.85Å; V72-I308 HydrophobicContact CG2-CG2 4.06Å; V72-I308 WeakPolarHBondContact CG2-O 3.19Å; V72-L311 HydrophobicContact CG1-CB 4.06Å; V72-L311 HydrophobicContact CG1-CD1 3.91Å; V72-L312 HydrophobicContact CB-CD2 4.46Å; V72-L312 HydrophobicContact CG2-CD1 4.18Å; V72-L312 HydrophobicContact CG2-CD2 3.62Å; V72-L312 HydrophobicContact CG2-CG 3.55Å |
| 73 | R | 97.6 | Very high | 94.9 | Very high | 23 Ų | 23 | 52 Ų | 52 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 174.5 | -70.8 | -172.8 | 177.2 | 104.7 | 5.5 | 112 | V69 D70 K75 I76 L77 V89 F91 E299 | V69-R73 PolarHBondContact O-N 2.74Å; D70-R73 WeakPolarHBondContact O-CB 3.28Å; D70-R73 PolarHBondContact O-N 2.84Å; D70-R73 VanDerWaalsContact O-N 3.1Å; D70-R73 IonicContact OD1-CZ 3.17Å; D70-R73 IonicContact OD1-NH1 2.69Å; D70-R73 PolarHBondContact OD1-NH1 2.78Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-K75 PolarHBondContact O-N 3.3Å; R73-I76 WeakPolarHBondContact O-CB 3.33Å; R73-I76 PolarHBondContact O-N 2.93Å; R73-L77 WeakPolarHBondContact O-CG 3.4Å; R73-L77 PolarHBondContact O-N 3.3Å; R73-V89 HydrophobicContact CB-CB 4.5Å; R73-V89 HydrophobicContact CG-CB 4.19Å; R73-V89 HydrophobicContact CG-CG1 4.32Å; R73-F91 HydrophobicContact CG-CE2 3.54Å; R73-F91 HydrophobicContact CG-CZ 3.73Å; R73-E299 IonicContact CZ-OE1 2.65Å; R73-E299 IonicContact CZ-OE2 3.46Å; R73-E299 IonicContact NE-OE1 3.27Å; R73-E299 IonicContact NH2-OE1 3.04Å; R73-E299 PolarHBondContact NH2-OE1 3Å; R73-E299 IonicContact NH2-OE2 3.97Å; R73-E299 PolarHBondContact NH2-OE2 3.34Å |
| 74 | F | 98 | Very high | 95.5 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 57% | 0.566 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.8 | -42.4 | 176.4 | -71.2 | -60.3 | 0 | 0 | 0 | 111.8 | D70 Q71 V72 I76 L77 E78 | D70-F74 HydrophobicContact CB-CE2 4.38Å; D70-F74 WeakPolarHBondContact O-CD2 3.16Å; D70-F74 PolarHBondContact O-N 2.79Å; Q71-F74 PolarHBondContact O-N 2.67Å; V72-F74 VanDerWaalsContact C-N 3.34Å; V72-F74 PolarHBondContact O-N 3.17Å; F74-I76 VanDerWaalsContact C-N 3.33Å; F74-I76 PolarHBondContact O-N 3.35Å; F74-L77 PolarHBondContact O-N 2.84Å; F74-E78 WeakPolarHBondContact O-CB 3.27Å; F74-E78 PolarHBondContact O-N 3.21Å |
| 75 | K | 98 | Very high | 95.9 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.9 | -77.8 | -74.1 | 164.5 | -162.7 | 0 | 113.1 | Q71 V72 R73 E78 F79 L312 F315 | Q71-K75 WeakPolarHBondContact O-CG 3.43Å; Q71-K75 PolarHBondContact O-N 3.11Å; V72-K75 PolarHBondContact O-N 2.87Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-K75 PolarHBondContact O-N 3.3Å; K75-E78 WeakPolarHBondContact CD-OE2 3.45Å; K75-E78 WeakPolarHBondContact CE-OE2 3.28Å; K75-E78 IonicContact NZ-OE1 3.38Å; K75-E78 IonicContact NZ-OE2 3.04Å; K75-E78 PolarHBondContact NZ-OE2 3.29Å; K75-F79 VanDerWaalsContact O-CB 3.28Å; K75-F79 WeakPolarHBondContact O-CB 3.19Å; K75-F79 PolarHBondContact O-N 3.28Å; K75-L312 HydrophobicContact CG-CD2 4.13Å; K75-F315 HydrophobicContact CB-CD2 4.17Å; K75-F315 HydrophobicContact CB-CE2 4.23Å |
| 76 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 173.4 | -69.7 | 161.2 | 0 | 0 | 0 | 110.6 | V72 R73 F74 F79 F80 V89 F91 F244 L258 F315 | V72-I76 HydrophobicContact CG1-CD1 3.8Å; V72-I76 HydrophobicContact CG1-CG1 4.36Å; V72-I76 WeakPolarHBondContact O-CD1 3.32Å; V72-I76 VanDerWaalsContact O-CG1 3.26Å; V72-I76 WeakPolarHBondContact O-CG1 3.47Å; V72-I76 PolarHBondContact O-N 2.78Å; R73-I76 WeakPolarHBondContact O-CB 3.33Å; R73-I76 PolarHBondContact O-N 2.93Å; F74-I76 VanDerWaalsContact C-N 3.33Å; F74-I76 PolarHBondContact O-N 3.35Å; I76-F79 PolarHBondContact O-N 3.29Å; I76-F80 HydrophobicContact CG2-CD2 3.91Å; I76-F80 HydrophobicContact CG2-CE2 3.94Å; I76-F80 WeakPolarHBondContact O-CD2 3.42Å; I76-F80 PolarHBondContact O-N 2.65Å; I76-V89 HydrophobicContact CD1-CG1 4.01Å; I76-V89 HydrophobicContact CG2-CG1 4.22Å; I76-V89 HydrophobicContact CG2-CG2 4.1Å; I76-F91 HydrophobicContact CD1-CE1 3.61Å; I76-F91 HydrophobicContact CD1-CZ 3.98Å; I76-F244 HydrophobicContact CD1-CE1 4.14Å; I76-F244 HydrophobicContact CD1-CE2 4.13Å; I76-F244 HydrophobicContact CD1-CZ 3.43Å; I76-F244 VanDerWaalsContact CD1-CZ 3.43Å; I76-F244 HydrophobicContact CG1-CE1 3.9Å; I76-F244 HydrophobicContact CG1-CZ 3.68Å; I76-F244 HydrophobicContact CG2-CZ 4.46Å; I76-L258 HydrophobicContact CG2-CD1 4.24Å; I76-L258 HydrophobicContact CG2-CD2 4.44Å; I76-F315 HydrophobicContact CG1-CE2 4.18Å; I76-F315 HydrophobicContact CG1-CZ 3.88Å |
| 77 | L | 98.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.1 | -67.9 | 166.8 | 0 | 0 | 0 | 111.6 | R73 F74 F80 N81 T82 A84 V89 | R73-L77 WeakPolarHBondContact O-CG 3.4Å; R73-L77 PolarHBondContact O-N 3.3Å; F74-L77 PolarHBondContact O-N 2.84Å; L77-F80 CarbonylContact O-C 3.41Å; L77-F80 PolarHBondContact O-N 2.94Å; L77-N81 PolarHBondContact O-N 2.79Å; L77-N81 VanDerWaalsContact O-N 3.16Å; L77-T82 CarbonylContact C-O 3.57Å; L77-T82 HydrophobicContact CB-CG2 4.22Å; L77-T82 HydrophobicContact CD2-CG2 3.65Å; L77-T82 WeakPolarHBondContact O-CG2 3.39Å; L77-T82 PolarHBondContact O-N 3.24Å; L77-A84 HydrophobicContact CD1-CB 3.87Å; L77-V89 HydrophobicContact CD1-CG2 4.33Å; L77-V89 HydrophobicContact CD2-CG2 3.7Å; L77-V89 HydrophobicContact CG-CG2 3.76Å |
| 78 | E | 97.9 | Very high | 97.1 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.5 | -46.1 | 174.3 | -176.9 | -176.7 | -172.9 | 0 | 0 | 111.7 | F74 K75 F80 N81 | F74-E78 WeakPolarHBondContact O-CB 3.27Å; F74-E78 PolarHBondContact O-N 3.21Å; K75-E78 WeakPolarHBondContact CD-OE2 3.45Å; K75-E78 WeakPolarHBondContact CE-OE2 3.28Å; K75-E78 IonicContact NZ-OE1 3.38Å; K75-E78 IonicContact NZ-OE2 3.04Å; K75-E78 PolarHBondContact NZ-OE2 3.29Å; E78-F80 PolarHBondContact O-N 2.74Å; E78-N81 PolarHBondContact O-N 3.4Å |
| 79 | F | 98.2 | Very high | 97.4 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -32 | 178.4 | -178.7 | -95.8 | 0 | 0 | 0 | 113.1 | K75 I76 I247 F315 L318 M331 | K75-F79 VanDerWaalsContact O-CB 3.28Å; K75-F79 WeakPolarHBondContact O-CB 3.19Å; K75-F79 PolarHBondContact O-N 3.28Å; I76-F79 PolarHBondContact O-N 3.29Å; F79-I247 HydrophobicContact CE1-CD1 4.26Å; F79-I247 HydrophobicContact CZ-CG2 4.32Å; F79-F315 HydrophobicContact CB-CD1 4.34Å; F79-F315 HydrophobicContact CB-CE1 3.65Å; F79-F315 HydrophobicContact CB-CZ 4.47Å; F79-F315 HydrophobicContact CD1-CE1 4.33Å; F79-F315 AromaticContact CD2-CD1 3.92Å; F79-F315 HydrophobicContact CD2-CD1 3.92Å; F79-F315 AromaticContact CD2-CE1 3.69Å; F79-F315 HydrophobicContact CD2-CE1 3.69Å; F79-F315 HydrophobicContact CE2-CE1 4.4Å; F79-F315 HydrophobicContact CG-CD1 4.31Å; F79-F315 AromaticContact CG-CE1 3.64Å; F79-F315 HydrophobicContact CG-CE1 3.64Å; F79-L318 HydrophobicContact CE2-CD2 4.19Å; F79-M331 HydrophobicContact CE2-CG 3.72Å; F79-M331 HydrophobicContact CE2-SD 4Å; F79-M331 HydrophobicContact CZ-CE 4.38Å; F79-M331 HydrophobicContact CZ-CG 3.61Å; F79-M331 HydrophobicContact CZ-SD 3.73Å |
| 80 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 11.9 | 176.7 | -67.7 | -58.3 | 0 | 0 | 0 | 114.1 | I76 L77 E78 T82 V225 L230 L232 L242 L258 | I76-F80 HydrophobicContact CG2-CD2 3.91Å; I76-F80 HydrophobicContact CG2-CE2 3.94Å; I76-F80 WeakPolarHBondContact O-CD2 3.42Å; I76-F80 PolarHBondContact O-N 2.65Å; L77-F80 CarbonylContact O-C 3.41Å; L77-F80 PolarHBondContact O-N 2.94Å; E78-F80 PolarHBondContact O-N 2.74Å; F80-T82 HydrophobicContact CB-CG2 4.25Å; F80-T82 PolarHBondContact O-N 3.39Å; F80-V225 HydrophobicContact CE1-CB 4.08Å; F80-V225 HydrophobicContact CE1-CG1 3.6Å; F80-V225 HydrophobicContact CZ-CB 4.42Å; F80-V225 HydrophobicContact CZ-CG1 4.22Å; F80-L230 CarbonylContact C-O 3.47Å; F80-L230 WeakPolarHBondContact CA-O 3.4Å; F80-L230 HydrophobicContact CD1-CB 3.98Å; F80-L230 HydrophobicContact CD1-CD2 4.11Å; F80-L230 HydrophobicContact CD1-CG 4.27Å; F80-L230 HydrophobicContact CE1-CB 4.26Å; F80-L230 HydrophobicContact CE1-CD2 4.24Å; F80-L232 HydrophobicContact CB-CD1 3.73Å; F80-L232 HydrophobicContact CB-CG 4.02Å; F80-L232 HydrophobicContact CG-CD1 4.31Å; F80-L232 WeakPolarHBondContact O-CB 3.39Å; F80-L232 PolarHBondContact O-N 2.52Å; F80-L242 HydrophobicContact CE2-CD1 4.01Å; F80-L242 HydrophobicContact CE2-CD2 4.04Å; F80-L242 HydrophobicContact CZ-CD1 3.8Å; F80-L242 HydrophobicContact CZ-CD2 4.11Å; F80-L258 HydrophobicContact CB-CD2 4.36Å; F80-L258 HydrophobicContact CD2-CD1 4.19Å; F80-L258 HydrophobicContact CD2-CD2 3.69Å; F80-L258 HydrophobicContact CE2-CD1 4.09Å; F80-L258 HydrophobicContact CE2-CD2 4.41Å; F80-L258 HydrophobicContact CG-CD2 4.26Å |
| 81 | N | 98.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 52.1 | -177.4 | -169 | 39.9 | 0 | 0 | 0 | 113.2 | L77 E78 D231 Q233 | L77-N81 PolarHBondContact O-N 2.79Å; L77-N81 VanDerWaalsContact O-N 3.16Å; E78-N81 PolarHBondContact O-N 3.4Å; N81-D231 VanDerWaalsContact ND2-CG 3.3Å; N81-D231 PolarHBondContact ND2-OD1 3Å; N81-D231 PolarHBondContact ND2-OD2 3.24Å; N81-Q233 WeakPolarHBondContact O-CG 3.27Å; N81-Q233 PolarHBondContact O-N 3.06Å; N81-Q233 PolarHBondContact O-NE2 2.78Å; N81-Q233 VanDerWaalsContact O-NE2 3.17Å; N81-Q233 PolarHBondContact OD1-NE2 3.49Å |
| 82 | T | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | trans | -141.9 | 174.4 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | L77 F80 Y87 L232 | L77-T82 CarbonylContact C-O 3.57Å; L77-T82 HydrophobicContact CB-CG2 4.22Å; L77-T82 HydrophobicContact CD2-CG2 3.65Å; L77-T82 WeakPolarHBondContact O-CG2 3.39Å; L77-T82 PolarHBondContact O-N 3.24Å; F80-T82 HydrophobicContact CB-CG2 4.25Å; F80-T82 PolarHBondContact O-N 3.39Å; T82-Y87 HydrophobicContact CG2-CD2 4.28Å; T82-Y87 WeakPolarHBondContact OG1-CD2 3.42Å; T82-L232 HydrophobicContact CG2-CB 4.19Å; T82-L232 HydrophobicContact CG2-CD1 3.96Å | ||
| 83 | T | 98 | Very high | 97.8 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | trans | -120.1 | 168.8 | 179.9 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | E85 D86 Y87 | T83-E85 PolarHBondContact O-N 3.16Å; T83-E85 WeakPolarHBondContact OG1-CB 3.36Å; T83-E85 PolarHBondContact OG1-N 3.06Å; T83-E85 VanDerWaalsContact OG1-N 3.16Å; T83-D86 PolarHBondContact O-N 3.2Å; T83-D86 PolarHBondContact OG1-N 2.75Å; T83-D86 PolarHBondContact OG1-OD2 3.27Å; T83-Y87 PolarHBondContact O-N 3.47Å | ||
| 84 | A | 96.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L77 R261 | L77-A84 HydrophobicContact CD1-CB 3.87Å; A84-R261 PolarHBondContact O-NH2 3.44Å |
| 85 | E | 95.9 | Very high | 97.8 | Very high | 153 Ų | 153 | 38.8 Ų | 38.8 | 72% | 0.715 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -40.5 | 171.1 | -58.6 | -177.4 | 174.2 | 0 | 0 | 109.8 | T83 R261 | T83-E85 PolarHBondContact O-N 3.16Å; T83-E85 WeakPolarHBondContact OG1-CB 3.36Å; T83-E85 PolarHBondContact OG1-N 3.06Å; T83-E85 VanDerWaalsContact OG1-N 3.16Å; E85-R261 WeakPolarHBondContact O-CG 3.37Å; E85-R261 PolarHBondContact O-NE 3.31Å |
| 86 | D | 97.4 | Very high | 97.8 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 31% | 0.31 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -39.6 | -175.1 | -57.5 | -61.3 | 0 | 0 | 0 | 113.6 | T83 S260 R261 | T83-D86 PolarHBondContact O-N 3.2Å; T83-D86 PolarHBondContact OG1-N 2.75Å; T83-D86 PolarHBondContact OG1-OD2 3.27Å; D86-S260 CarbonylContact O-C 3.51Å; D86-S260 WeakPolarHBondContact O-CA 2.94Å; D86-R261 PolarHBondContact O-N 3.45Å |
| 87 | Y | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 142.8 | -174.7 | -74.6 | -102 | 0 | 0 | 0 | 113.5 | T82 T83 L232 R236 P237 L258 V259 S260 | T82-Y87 HydrophobicContact CG2-CD2 4.28Å; T82-Y87 WeakPolarHBondContact OG1-CD2 3.42Å; T83-Y87 PolarHBondContact O-N 3.47Å; Y87-L232 HydrophobicContact CD1-CD1 4.43Å; Y87-L232 HydrophobicContact CE1-CD1 4.28Å; Y87-L232 HydrophobicContact CE2-CB 4.11Å; Y87-L232 HydrophobicContact CE2-CD1 4.44Å; Y87-R236 WeakPolarHBondContact OH-CA 3.37Å; Y87-P237 WeakPolarHBondContact CE1-O 3.08Å; Y87-P237 PolarHBondContact OH-O 2.76Å; Y87-L258 HydrophobicContact CD1-CB 3.97Å; Y87-V259 CarbonylContact C-O 3.59Å; Y87-V259 WeakPolarHBondContact CA-O 3.47Å; Y87-S260 VanDerWaalsContact CD1-N 3.3Å |
| 88 | H | 97.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 11% | 0.111 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 145.2 | 165.6 | -61 | -61.7 | 0 | 0 | 0 | 110.7 | L258 V259 F294 | H88-L258 CarbonylContact O-C 3.56Å; H88-L258 VanDerWaalsContact O-CA 3.25Å; H88-L258 WeakPolarHBondContact O-CA 3.11Å; H88-V259 PolarHBondContact N-O 3.37Å; H88-V259 PolarHBondContact O-N 2.96Å; H88-F294 HydrophobicContact CB-CD1 3.72Å; H88-F294 HydrophobicContact CB-CE1 4.31Å; H88-F294 AromaticContact CD2-CD1 3.42Å; H88-F294 VanDerWaalsContact CD2-CD1 3.42Å; H88-F294 WeakPolarHBondContact CD2-CD1 3.16Å; H88-F294 AromaticContact CD2-CG 3.74Å; H88-F294 AromaticContact CG-CD1 3.61Å |
| 89 | V | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.9 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | R73 I76 L77 A256 L258 H295 | R73-V89 HydrophobicContact CB-CB 4.5Å; R73-V89 HydrophobicContact CG-CB 4.19Å; R73-V89 HydrophobicContact CG-CG1 4.32Å; I76-V89 HydrophobicContact CD1-CG1 4.01Å; I76-V89 HydrophobicContact CG2-CG1 4.22Å; I76-V89 HydrophobicContact CG2-CG2 4.1Å; L77-V89 HydrophobicContact CD1-CG2 4.33Å; L77-V89 HydrophobicContact CD2-CG2 3.7Å; L77-V89 HydrophobicContact CG-CG2 3.76Å; V89-A256 HydrophobicContact CG1-CB 4.23Å; V89-L258 HydrophobicContact CG2-CG 4.39Å; V89-H295 VanDerWaalsContact O-CB 3.31Å; V89-H295 WeakPolarHBondContact O-CB 3.41Å |
| 90 | I | 97.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.1 | 172.6 | -53.9 | 175.9 | 0 | 0 | 0 | 107.9 | T92 L101 A256 L257 V259 F294 H295 Y298 E299 | I90-T92 HydrophobicContact CG2-CG2 4.44Å; I90-L101 HydrophobicContact CD1-CD2 4.11Å; I90-L101 HydrophobicContact CG2-CD2 3.94Å; I90-A256 CarbonylContact O-C 3.51Å; I90-A256 VanDerWaalsContact O-CA 3.32Å; I90-A256 WeakPolarHBondContact O-CA 3.47Å; I90-L257 HydrophobicContact CB-CB 4.33Å; I90-L257 HydrophobicContact CD1-CD2 4.38Å; I90-L257 PolarHBondContact N-O 3.06Å; I90-L257 PolarHBondContact O-N 3Å; I90-V259 HydrophobicContact CD1-CG2 3.9Å; I90-F294 HydrophobicContact CD1-CD1 4.44Å; I90-F294 HydrophobicContact CD1-CE1 3.85Å; I90-H295 HydrophobicContact CG1-CB 3.82Å; I90-Y298 HydrophobicContact CD1-CD2 3.85Å; I90-Y298 HydrophobicContact CD1-CG 4.07Å; I90-E299 HydrophobicContact CG2-CG 3.96Å |
| 91 | F | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 134.8 | 173.3 | -69.4 | -70.6 | 0 | 0 | 0 | 110.8 | V69 V72 R73 I76 V254 E299 L303 I308 | V69-F91 HydrophobicContact CG1-CD2 4.3Å; V69-F91 HydrophobicContact CG1-CE2 3.65Å; V69-F91 HydrophobicContact CG1-CZ 4.44Å; V72-F91 HydrophobicContact CB-CZ 4.35Å; V72-F91 HydrophobicContact CG1-CE1 4.08Å; V72-F91 HydrophobicContact CG1-CZ 3.92Å; R73-F91 HydrophobicContact CG-CE2 3.54Å; R73-F91 HydrophobicContact CG-CZ 3.73Å; I76-F91 HydrophobicContact CD1-CE1 3.61Å; I76-F91 HydrophobicContact CD1-CZ 3.98Å; F91-V254 HydrophobicContact CD1-CG1 4.2Å; F91-E299 WeakPolarHBondContact CD2-OE1 3.07Å; F91-E299 PolarHBondContact N-OE1 3.28Å; F91-L303 HydrophobicContact CB-CD1 4.48Å; F91-L303 HydrophobicContact CB-CD2 4.01Å; F91-L303 HydrophobicContact CD2-CD1 3.98Å; F91-I308 HydrophobicContact CB-CD1 4.14Å; F91-I308 HydrophobicContact CD1-CD1 4.06Å; F91-I308 HydrophobicContact CD1-CG1 4.09Å; F91-I308 HydrophobicContact CD1-CG2 4.45Å; F91-I308 HydrophobicContact CD2-CD1 3.85Å; F91-I308 HydrophobicContact CE1-CD1 4.44Å; F91-I308 HydrophobicContact CE1-CG1 4.25Å; F91-I308 HydrophobicContact CE1-CG2 3.81Å; F91-I308 HydrophobicContact CE2-CD1 4.24Å; F91-I308 HydrophobicContact CE2-CG2 4.06Å; F91-I308 HydrophobicContact CG-CD1 3.75Å; F91-I308 HydrophobicContact CG-CG1 4.29Å; F91-I308 HydrophobicContact CZ-CG2 3.59Å |
| 92 | T | 97.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 169.6 | 178.9 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | I90 N94 A98 L101 G255 A256 L257 | I90-T92 HydrophobicContact CG2-CG2 4.44Å; T92-N94 VanDerWaalsContact C-N 3.29Å; T92-N94 PolarHBondContact O-N 3.21Å; T92-N94 PolarHBondContact OG1-O 3.49Å; T92-A98 HydrophobicContact CG2-CB 4.1Å; T92-L101 HydrophobicContact CG2-CD2 4.48Å; T92-G255 PolarHBondContact N-O 3.37Å; T92-G255 CarbonylContact O-C 3.51Å; T92-G255 PolarHBondContact O-N 3.13Å; T92-A256 PolarHBondContact OG1-N 3.49Å; T92-L257 HydrophobicContact CG2-CB 4.42Å |
| 93 | A | 97.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -67.2 | -30.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A97 G253 V254 | A93-A97 HydrophobicContact CB-CB 4.17Å; A93-G253 CarbonylContact O-C 3.58Å; A93-G253 WeakPolarHBondContact O-CA 3.3Å; A93-V254 PolarHBondContact O-N 2.98Å |
| 94 | N | 97.7 | Very high | 97.1 | Very high | 56 Ų | 56 | 32 Ų | 32 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -176.4 | 178.7 | -178.7 | 50.7 | 49.5 | 0 | 0 | 0 | 110.1 | T92 T96 A97 A98 S243 | T92-N94 VanDerWaalsContact C-N 3.29Å; T92-N94 PolarHBondContact O-N 3.21Å; T92-N94 PolarHBondContact OG1-O 3.49Å; N94-T96 PolarHBondContact O-N 2.66Å; N94-T96 WeakPolarHBondContact OD1-CA 3.17Å; N94-T96 VanDerWaalsContact OD1-CB 3.23Å; N94-T96 WeakPolarHBondContact OD1-CB 3.26Å; N94-T96 PolarHBondContact OD1-N 2.82Å; N94-A97 PolarHBondContact O-N 2.95Å; N94-A97 VanDerWaalsContact O-N 3.11Å; N94-A97 PolarHBondContact OD1-N 2.82Å; N94-A98 PolarHBondContact O-N 2.78Å; N94-A98 VanDerWaalsContact O-N 3.08Å; N94-S243 WeakPolarHBondContact CA-OG 3.35Å; N94-S243 VanDerWaalsContact CB-OG 3.3Å; N94-S243 WeakPolarHBondContact CB-OG 3.45Å |
| 95 | A | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.3 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A98 L99 A222 C241 L242 S243 | A95-A98 WeakPolarHBondContact O-CB 3.33Å; A95-A98 PolarHBondContact O-N 3.3Å; A95-L99 WeakPolarHBondContact O-CG 3.25Å; A95-L99 PolarHBondContact O-N 2.72Å; A95-A222 HydrophobicContact CB-CB 3.71Å; A95-C241 HydrophobicContact CB-CB 4.44Å; A95-L242 PolarHBondContact N-O 2.96Å; A95-S243 PolarHBondContact N-OG 3.09Å |
| 96 | T | 97.8 | Very high | 97 | Very high | 67 Ų | 67 | 23.3 Ų | 23.3 | 41% | 0.411 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | N94 A98 L99 S100 | N94-T96 PolarHBondContact O-N 2.66Å; N94-T96 WeakPolarHBondContact OD1-CA 3.17Å; N94-T96 VanDerWaalsContact OD1-CB 3.23Å; N94-T96 WeakPolarHBondContact OD1-CB 3.26Å; N94-T96 PolarHBondContact OD1-N 2.82Å; T96-A98 VanDerWaalsContact C-N 3.34Å; T96-L99 PolarHBondContact O-N 3.27Å; T96-S100 PolarHBondContact O-N 3.39Å |
| 97 | A | 97.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 28% | 0.281 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A93 N94 S100 L101 | A93-A97 HydrophobicContact CB-CB 4.17Å; N94-A97 PolarHBondContact O-N 2.95Å; N94-A97 VanDerWaalsContact O-N 3.11Å; N94-A97 PolarHBondContact OD1-N 2.82Å; A97-S100 PolarHBondContact O-N 3.03Å; A97-L101 WeakPolarHBondContact O-CB 3.27Å; A97-L101 PolarHBondContact O-N 3.07Å |
| 98 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T92 N94 A95 T96 L101 V102 C241 L257 | T92-A98 HydrophobicContact CG2-CB 4.1Å; N94-A98 PolarHBondContact O-N 2.78Å; N94-A98 VanDerWaalsContact O-N 3.08Å; A95-A98 WeakPolarHBondContact O-CB 3.33Å; A95-A98 PolarHBondContact O-N 3.3Å; T96-A98 VanDerWaalsContact C-N 3.34Å; A98-L101 WeakPolarHBondContact O-CB 3.38Å; A98-L101 PolarHBondContact O-N 2.76Å; A98-V102 PolarHBondContact O-N 3.18Å; A98-V102 VanDerWaalsContact O-N 3.11Å; A98-C241 HydrophobicContact CB-CB 3.54Å; A98-L257 HydrophobicContact CB-CB 3.78Å; A98-L257 HydrophobicContact CB-CD1 4.2Å |
| 99 | L | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.2 | -72.6 | 165.7 | 0 | 0 | 0 | 112.3 | A95 T96 L101 V102 A103 S123 V124 M127 T168 C241 | A95-L99 WeakPolarHBondContact O-CG 3.25Å; A95-L99 PolarHBondContact O-N 2.72Å; T96-L99 PolarHBondContact O-N 3.27Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 3.22Å; L99-V102 PolarHBondContact O-N 3.34Å; L99-A103 PolarHBondContact O-N 2.99Å; L99-S123 WeakPolarHBondContact CD1-OG 3.45Å; L99-V124 HydrophobicContact CD1-CG2 3.86Å; L99-V124 HydrophobicContact CD2-CG2 4.21Å; L99-M127 HydrophobicContact CB-CG 4.4Å; L99-M127 HydrophobicContact CB-SD 4.17Å; L99-M127 HydrophobicContact CD2-SD 3.87Å; L99-T168 HydrophobicContact CD2-CG2 4.1Å; L99-C241 VanDerWaalsContact CD2-SG 3.57Å; L99-C241 HydrophobicContact CG-CB 4.26Å; L99-C241 VanDerWaalsContact CG-SG 3.55Å |
| 100 | S | 96.2 | Very high | 95.7 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 175 | -160.5 | 0 | 0 | 0 | 0 | 111.2 | T96 A97 V102 A103 E104 R130 | T96-S100 PolarHBondContact O-N 3.39Å; A97-S100 PolarHBondContact O-N 3.03Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 2.95Å; S100-A103 PolarHBondContact O-N 2.77Å; S100-E104 WeakPolarHBondContact O-CB 3.26Å; S100-E104 VanDerWaalsContact O-CG 3.29Å; S100-E104 WeakPolarHBondContact O-CG 3.46Å; S100-E104 PolarHBondContact O-N 2.75Å; S100-E104 PolarHBondContact OG-OE1 3.22Å; S100-R130 WeakPolarHBondContact OG-CD 3.31Å; S100-R130 PolarHBondContact OG-NE 2.83Å; S100-R130 VanDerWaalsContact OG-NE 3.16Å; S100-R130 PolarHBondContact OG-NH1 3.09Å |
| 101 | L | 95.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 178.6 | -172.5 | 68.3 | 0 | 0 | 0 | 111.7 | I90 T92 A97 A98 L99 N105 L257 Y298 | I90-L101 HydrophobicContact CD1-CD2 4.11Å; I90-L101 HydrophobicContact CG2-CD2 3.94Å; T92-L101 HydrophobicContact CG2-CD2 4.48Å; A97-L101 WeakPolarHBondContact O-CB 3.27Å; A97-L101 PolarHBondContact O-N 3.07Å; A98-L101 WeakPolarHBondContact O-CB 3.38Å; A98-L101 PolarHBondContact O-N 2.76Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 3.22Å; L101-N105 WeakPolarHBondContact O-CB 3.24Å; L101-N105 PolarHBondContact O-N 3.18Å; L101-N105 PolarHBondContact O-ND2 2.87Å; L101-L257 HydrophobicContact CB-CD2 4.44Å; L101-L257 HydrophobicContact CD2-CD2 3.84Å; L101-L257 HydrophobicContact CG-CD2 4.34Å; L101-Y298 HydrophobicContact CD1-CD1 4.01Å |
| 102 | V | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 173.3 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | A98 L99 S100 E104 N105 F106 M127 L166 Y239 L257 F267 | A98-V102 PolarHBondContact O-N 3.18Å; A98-V102 VanDerWaalsContact O-N 3.11Å; L99-V102 PolarHBondContact O-N 3.34Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 2.95Å; V102-E104 VanDerWaalsContact C-N 3.27Å; V102-E104 PolarHBondContact O-N 2.93Å; V102-N105 PolarHBondContact O-N 3.44Å; V102-F106 VanDerWaalsContact O-CB 3.3Å; V102-F106 WeakPolarHBondContact O-CB 3.22Å; V102-F106 PolarHBondContact O-N 3.14Å; V102-M127 HydrophobicContact CG1-CE 4.36Å; V102-L166 HydrophobicContact CG1-CD1 4.37Å; V102-L166 HydrophobicContact CG1-CD2 3.76Å; V102-Y239 HydrophobicContact CG1-CD2 4.02Å; V102-Y239 HydrophobicContact CG1-CE2 4.27Å; V102-Y239 HydrophobicContact CG1-CG 4.25Å; V102-Y239 HydrophobicContact CG2-CD1 4.15Å; V102-Y239 HydrophobicContact CG2-CG 3.99Å; V102-L257 HydrophobicContact CG2-CD1 3.68Å; V102-L257 HydrophobicContact CG2-CD2 3.7Å; V102-L257 HydrophobicContact CG2-CG 4.36Å; V102-F267 HydrophobicContact CG2-CZ 4.27Å |
| 103 | A | 95.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.2 | -37.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L99 S100 M127 R130 V131 | L99-A103 PolarHBondContact O-N 2.99Å; S100-A103 PolarHBondContact O-N 2.77Å; A103-M127 HydrophobicContact CB-CB 3.9Å; A103-M127 HydrophobicContact CB-CE 3.9Å; A103-M127 HydrophobicContact CB-CG 3.96Å; A103-R130 HydrophobicContact CB-CB 3.96Å; A103-V131 HydrophobicContact CB-CG1 3.9Å |
| 104 | E | 93.3 | Very high | 94.9 | Very high | 95 Ų | 95 | 24.1 Ų | 24.1 | 44% | 0.444 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -78.1 | -23.2 | -178 | -72 | 169.6 | -164.2 | 0 | 0 | 114 | S100 V102 R130 | S100-E104 WeakPolarHBondContact O-CB 3.26Å; S100-E104 VanDerWaalsContact O-CG 3.29Å; S100-E104 WeakPolarHBondContact O-CG 3.46Å; S100-E104 PolarHBondContact O-N 2.75Å; S100-E104 PolarHBondContact OG-OE1 3.22Å; V102-E104 VanDerWaalsContact C-N 3.27Å; V102-E104 PolarHBondContact O-N 2.93Å; E104-R130 HydrophobicContact CG-CB 4.37Å; E104-R130 WeakPolarHBondContact OE1-CD 3.13Å; E104-R130 IonicContact OE1-CZ 2.81Å; E104-R130 IonicContact OE1-NE 3.49Å; E104-R130 PolarHBondContact OE1-NE 3.13Å |
| 105 | N | 94.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 21.5 Ų | 21.5 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -119.2 | -13.5 | -168.6 | -64 | -87.8 | 0 | 0 | 0 | 114.2 | L101 V102 D107 F267 Q268 Y298 | L101-N105 WeakPolarHBondContact O-CB 3.24Å; L101-N105 PolarHBondContact O-N 3.18Å; L101-N105 PolarHBondContact O-ND2 2.87Å; V102-N105 PolarHBondContact O-N 3.44Å; N105-D107 PolarHBondContact O-N 3.25Å; N105-F267 HydrophobicContact CB-CD1 4.44Å; N105-F267 HydrophobicContact CB-CD2 4.05Å; N105-F267 HydrophobicContact CB-CE2 4.24Å; N105-F267 HydrophobicContact CB-CG 4.16Å; N105-F267 HydrophobicContact CB-CZ 4.49Å; N105-F267 CarbonylContact O-C 3.54Å; N105-F267 WeakPolarHBondContact O-CA 3.35Å; N105-Q268 PolarHBondContact O-N 3.4Å; N105-Y298 HydrophobicContact CB-CE1 4.42Å |
| 106 | F | 95.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 127.6 | 177.5 | -172.2 | -94.3 | 0 | 0 | 0 | 111.9 | V102 F108 N164 L166 Y216 Y239 V266 | V102-F106 VanDerWaalsContact O-CB 3.3Å; V102-F106 WeakPolarHBondContact O-CB 3.22Å; V102-F106 PolarHBondContact O-N 3.14Å; F106-F108 HydrophobicContact CB-CE2 4.37Å; F106-F108 AromaticContact CD1-CD1 3.94Å; F106-F108 HydrophobicContact CD1-CD1 3.94Å; F106-F108 AromaticContact CD1-CD2 3.83Å; F106-F108 HydrophobicContact CD1-CD2 3.83Å; F106-F108 AromaticContact CD1-CE1 3.82Å; F106-F108 HydrophobicContact CD1-CE1 3.82Å; F106-F108 AromaticContact CD1-CE2 3.69Å; F106-F108 HydrophobicContact CD1-CE2 3.69Å; F106-F108 AromaticContact CD1-CG 3.95Å; F106-F108 HydrophobicContact CD1-CG 3.95Å; F106-F108 AromaticContact CD1-CZ 3.69Å; F106-F108 HydrophobicContact CD1-CZ 3.69Å; F106-F108 AromaticContact CE1-CD1 3.9Å; F106-F108 HydrophobicContact CE1-CD1 3.9Å; F106-F108 AromaticContact CE1-CE1 3.94Å; F106-F108 HydrophobicContact CE1-CE1 3.94Å; F106-F108 HydrophobicContact CE1-CG 4.22Å; F106-F108 HydrophobicContact CE1-CZ 4.28Å; F106-F108 HydrophobicContact CG-CE2 4.49Å; F106-F108 PolarHBondContact O-N 3.15Å; F106-N164 HydrophobicContact CE1-CB 3.88Å; F106-N164 WeakPolarHBondContact CE1-O 3.32Å; F106-N164 HydrophobicContact CZ-CB 3.7Å; F106-L166 HydrophobicContact CB-CD2 4.4Å; F106-L166 HydrophobicContact CD1-CB 3.95Å; F106-L166 HydrophobicContact CD1-CD2 4.43Å; F106-L166 HydrophobicContact CD2-CD1 4.04Å; F106-L166 HydrophobicContact CD2-CD2 4.48Å; F106-L166 HydrophobicContact CE1-CB 3.71Å; F106-L166 HydrophobicContact CE2-CB 4.35Å; F106-L166 HydrophobicContact CE2-CD1 3.96Å; F106-L166 HydrophobicContact CG-CB 4.35Å; F106-L166 HydrophobicContact CG-CD1 4.49Å; F106-L166 HydrophobicContact CG-CD2 4.18Å; F106-L166 HydrophobicContact CZ-CB 3.92Å; F106-L166 HydrophobicContact CZ-CD1 4.33Å; F106-Y216 HydrophobicContact CE2-CD1 4.22Å; F106-Y216 HydrophobicContact CE2-CD2 4.08Å; F106-Y216 AromaticContact CE2-CG 3.71Å; F106-Y216 HydrophobicContact CE2-CG 3.71Å; F106-Y216 AromaticContact CZ-CD2 3.79Å; F106-Y216 HydrophobicContact CZ-CD2 3.79Å; F106-Y216 AromaticContact CZ-CG 3.87Å; F106-Y216 HydrophobicContact CZ-CG 3.87Å; F106-Y239 AromaticContact CD2-CE2 3.77Å; F106-Y239 HydrophobicContact CD2-CE2 3.77Å; F106-Y239 AromaticContact CD2-CZ 3.93Å; F106-Y239 WeakPolarHBondContact CD2-OH 3.35Å; F106-Y239 AromaticContact CE2-CE2 3.92Å; F106-Y239 HydrophobicContact CE2-CE2 3.92Å; F106-V266 HydrophobicContact CD2-CG1 4.02Å; F106-V266 HydrophobicContact CE1-CG1 4.46Å; F106-V266 HydrophobicContact CE2-CB 4.46Å; F106-V266 HydrophobicContact CE2-CG1 3.62Å; F106-V266 HydrophobicContact CZ-CG1 3.88Å |
| 107 | D | 94.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 18.3 Ų | 18.3 | 32% | 0.321 | 11% | 0.114 | S | C | . | . | trans | -87.5 | 99.6 | 178 | -165 | 6.8 | 0 | 0 | 0 | 112.6 | N105 G109 N164 V266 Q268 | N105-D107 PolarHBondContact O-N 3.25Å; D107-G109 PolarHBondContact O-N 2.97Å; D107-G109 PolarHBondContact OD1-N 3.18Å; D107-G109 VanDerWaalsContact OD1-N 3.16Å; D107-N164 WeakPolarHBondContact O-CB 3.25Å; D107-N164 PolarHBondContact O-ND2 3Å; D107-V266 HydrophobicContact CB-CG1 4.18Å; D107-V266 WeakPolarHBondContact CB-O 3.41Å; D107-V266 PolarHBondContact N-O 3.44Å; D107-Q268 HydrophobicContact CB-CG 3.4Å; D107-Q268 PolarHBondContact OD1-NE2 3.15Å | ||
| 108 | F | 93.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | trans | -70.1 | -15.6 | 176.3 | -69.8 | -86.3 | 0 | 0 | 0 | 113.7 | F106 G112 E113 F114 V131 R132 E133 G163 N164 L166 | F106-F108 HydrophobicContact CB-CE2 4.37Å; F106-F108 AromaticContact CD1-CD1 3.94Å; F106-F108 HydrophobicContact CD1-CD1 3.94Å; F106-F108 AromaticContact CD1-CD2 3.83Å; F106-F108 HydrophobicContact CD1-CD2 3.83Å; F106-F108 AromaticContact CD1-CE1 3.82Å; F106-F108 HydrophobicContact CD1-CE1 3.82Å; F106-F108 AromaticContact CD1-CE2 3.69Å; F106-F108 HydrophobicContact CD1-CE2 3.69Å; F106-F108 AromaticContact CD1-CG 3.95Å; F106-F108 HydrophobicContact CD1-CG 3.95Å; F106-F108 AromaticContact CD1-CZ 3.69Å; F106-F108 HydrophobicContact CD1-CZ 3.69Å; F106-F108 AromaticContact CE1-CD1 3.9Å; F106-F108 HydrophobicContact CE1-CD1 3.9Å; F106-F108 AromaticContact CE1-CE1 3.94Å; F106-F108 HydrophobicContact CE1-CE1 3.94Å; F106-F108 HydrophobicContact CE1-CG 4.22Å; F106-F108 HydrophobicContact CE1-CZ 4.28Å; F106-F108 HydrophobicContact CG-CE2 4.49Å; F106-F108 PolarHBondContact O-N 3.15Å; F108-G112 WeakPolarHBondContact O-CA 3.27Å; F108-G112 PolarHBondContact O-N 3.21Å; F108-E113 WeakPolarHBondContact CE1-O 3.34Å; F108-F114 HydrophobicContact CE1-CB 3.93Å; F108-F114 HydrophobicContact CZ-CB 4.04Å; F108-F114 HydrophobicContact CZ-CD2 4.5Å; F108-V131 HydrophobicContact CE2-CB 3.76Å; F108-V131 HydrophobicContact CE2-CG1 3.84Å; F108-V131 HydrophobicContact CZ-CB 3.88Å; F108-V131 HydrophobicContact CZ-CG1 3.73Å; F108-R132 WeakPolarHBondContact CD2-O 3.48Å; F108-E133 HydrophobicContact CD1-CB 3.85Å; F108-E133 HydrophobicContact CD2-CB 4.27Å; F108-E133 HydrophobicContact CE1-CB 3.92Å; F108-E133 HydrophobicContact CE2-CB 4.34Å; F108-E133 HydrophobicContact CG-CB 4.03Å; F108-E133 HydrophobicContact CZ-CB 4.17Å; F108-G163 WeakPolarHBondContact O-CA 3.3Å; F108-N164 WeakPolarHBondContact CA-O 3.49Å; F108-N164 WeakPolarHBondContact CD1-O 3.41Å; F108-N164 PolarHBondContact O-N 3.01Å; F108-N164 VanDerWaalsContact O-N 3.07Å; F108-L166 HydrophobicContact CE1-CB 3.92Å; F108-L166 HydrophobicContact CZ-CB 4.12Å; F108-L166 HydrophobicContact CZ-CD2 4.43Å | ||
| 109 | G | 90.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 18 Ų | 18 | 37% | 0.371 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -152.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D107 N134 | D107-G109 PolarHBondContact O-N 2.97Å; D107-G109 PolarHBondContact OD1-N 3.18Å; D107-G109 VanDerWaalsContact OD1-N 3.16Å; G109-N134 PolarHBondContact O-ND2 3.2Å |
| 110 | S | 87.1 | Confident | 94.6 | Very high | 66 Ų | 66 | 17.9 Ų | 17.9 | 46% | 0.462 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.8 | -172 | 46.3 | 0 | 0 | 0 | 0 | 115.6 | N134 | S110-N134 PolarHBondContact O-ND2 3.16Å; S110-N134 PolarHBondContact O-OD1 2.8Å |
| 111 | S | 89.2 | Confident | 94.6 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 2.2 | -174 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | N134 G163 M211 N213 | S111-N134 WeakPolarHBondContact CA-ND2 3.45Å; S111-N134 PolarHBondContact N-ND2 3.38Å; S111-G163 WeakPolarHBondContact OG-CA 3.33Å; S111-G163 PolarHBondContact OG-N 2.75Å; S111-M211 VanDerWaalsContact CB-CE 3.4Å; S111-M211 WeakPolarHBondContact CB-SD 3.49Å; S111-N213 WeakPolarHBondContact CB-OD1 3.4Å; S111-N213 PolarHBondContact O-ND2 2.93Å; S111-N213 PolarHBondContact O-OD1 3.14Å; S111-N213 PolarHBondContact OG-OD1 2.94Å |
| 112 | G | 92.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -63.1 | 146.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F108 N134 N164 | F108-G112 WeakPolarHBondContact O-CA 3.27Å; F108-G112 PolarHBondContact O-N 3.21Å; G112-N134 PolarHBondContact N-ND2 2.84Å; G112-N134 PolarHBondContact O-N 2.85Å; G112-N134 PolarHBondContact O-ND2 2.81Å; G112-N164 WeakPolarHBondContact CA-O 3.29Å | ||
| 113 | E | 93.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 21.2 Ų | 21.2 | 11% | 0.107 | 13% | 0.125 | C | C | . | . | trans | -124 | 147.8 | -173.8 | -59 | -179 | 135.7 | 0 | 0 | 110.8 | F108 H115 G135 Y137 S165 L166 | F108-E113 WeakPolarHBondContact CE1-O 3.34Å; E113-H115 IonicContact OE2-CE1 3.86Å; E113-H115 IonicContact OE2-NE2 3.37Å; E113-H115 PolarHBondContact OE2-NE2 3.33Å; E113-G135 WeakPolarHBondContact CA-O 3.48Å; E113-Y137 HydrophobicContact CB-CD2 4.25Å; E113-Y137 HydrophobicContact CB-CE2 3.89Å; E113-Y137 HydrophobicContact CG-CE2 3.89Å; E113-Y137 VanDerWaalsContact OE1-CE2 3.24Å; E113-Y137 WeakPolarHBondContact OE1-CE2 3.43Å; E113-Y137 VanDerWaalsContact OE1-CZ 3.3Å; E113-Y137 PolarHBondContact OE1-OH 2.98Å; E113-S165 PolarHBondContact N-OG 2.89Å; E113-S165 VanDerWaalsContact N-OG 3.14Å; E113-S165 CarbonylContact O-C 3.15Å; E113-S165 WeakPolarHBondContact O-CA 3.37Å; E113-S165 WeakPolarHBondContact O-CB 3.44Å; E113-L166 PolarHBondContact O-N 3Å | ||
| 114 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.2 | 172.6 | 179.9 | -124.8 | 0 | 0 | 0 | 110.3 | F108 F116 V124 M127 R128 V131 E133 G135 I136 Y137 L166 T168 | F108-F114 HydrophobicContact CE1-CB 3.93Å; F108-F114 HydrophobicContact CZ-CB 4.04Å; F108-F114 HydrophobicContact CZ-CD2 4.5Å; F114-F116 HydrophobicContact CD1-CD1 4.36Å; F114-F116 HydrophobicContact CE1-CB 4.18Å; F114-F116 AromaticContact CE1-CD1 3.93Å; F114-F116 HydrophobicContact CE1-CD1 3.93Å; F114-F116 HydrophobicContact CE1-CG 4.34Å; F114-F116 HydrophobicContact CZ-CB 3.95Å; F114-V124 HydrophobicContact CZ-CG1 4.24Å; F114-M127 HydrophobicContact CE1-CB 4.07Å; F114-M127 HydrophobicContact CE2-CE 3.92Å; F114-M127 HydrophobicContact CE2-SD 4.33Å; F114-M127 HydrophobicContact CZ-CB 3.82Å; F114-M127 HydrophobicContact CZ-CE 4.12Å; F114-M127 HydrophobicContact CZ-SD 4Å; F114-R128 HydrophobicContact CD1-CG 4.32Å; F114-R128 HydrophobicContact CE1-CG 3.98Å; F114-V131 HydrophobicContact CB-CG2 4.26Å; F114-V131 HydrophobicContact CD1-CG1 4.49Å; F114-V131 HydrophobicContact CD1-CG2 3.92Å; F114-V131 HydrophobicContact CD2-CG1 4.35Å; F114-V131 HydrophobicContact CG-CG1 4.25Å; F114-V131 HydrophobicContact CG-CG2 4.16Å; F114-E133 HydrophobicContact CB-CB 4.21Å; F114-E133 HydrophobicContact CB-CG 4.11Å; F114-G135 PolarHBondContact N-O 2.71Å; F114-I136 HydrophobicContact CB-CG1 4.49Å; F114-I136 HydrophobicContact CD1-CG1 4.46Å; F114-I136 HydrophobicContact CD1-CG2 4.27Å; F114-I136 CarbonylContact O-C 3.59Å; F114-I136 WeakPolarHBondContact O-CA 3.06Å; F114-Y137 PolarHBondContact O-N 2.82Å; F114-L166 HydrophobicContact CD2-CB 4.22Å; F114-L166 HydrophobicContact CD2-CD2 4.11Å; F114-L166 HydrophobicContact CD2-CG 4.28Å; F114-L166 HydrophobicContact CE2-CD2 4.14Å; F114-L166 HydrophobicContact CE2-CG 4.43Å; F114-T168 WeakPolarHBondContact CE2-OG1 3.25Å |
| 115 | H | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.9 | 175.6 | -53.8 | -95.7 | 0 | 0 | 0 | 109.4 | E113 Y137 L139 L166 L167 T168 L193 P196 Y215 | E113-H115 IonicContact OE2-CE1 3.86Å; E113-H115 IonicContact OE2-NE2 3.37Å; E113-H115 PolarHBondContact OE2-NE2 3.33Å; H115-Y137 WeakPolarHBondContact CA-O 3.42Å; H115-Y137 AromaticContact CE1-CD2 3.63Å; H115-Y137 AromaticContact ND1-CD2 3.77Å; H115-Y137 AromaticContact ND1-CG 3.93Å; H115-L139 HydrophobicContact CB-CD1 3.79Å; H115-L166 PolarHBondContact N-O 2.74Å; H115-L167 HydrophobicContact CB-CB 4.39Å; H115-L167 HydrophobicContact CB-CD1 3.51Å; H115-L167 CarbonylContact O-C 3.57Å; H115-L167 WeakPolarHBondContact O-CA 3.43Å; H115-T168 PolarHBondContact O-N 2.94Å; H115-L193 HydrophobicContact CB-CD1 4.19Å; H115-L193 WeakPolarHBondContact ND1-CD1 3.32Å; H115-P196 PolarHBondContact ND1-O 3.29Å; H115-Y215 AromaticContact NE2-CE1 3.79Å |
| 116 | F | 97.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152.6 | 174.6 | 70.1 | -80.3 | 0 | 0 | 0 | 112.1 | F114 V124 L125 R128 I136 Y137 M138 L139 T168 L200 | F114-F116 HydrophobicContact CD1-CD1 4.36Å; F114-F116 HydrophobicContact CE1-CB 4.18Å; F114-F116 AromaticContact CE1-CD1 3.93Å; F114-F116 HydrophobicContact CE1-CD1 3.93Å; F114-F116 HydrophobicContact CE1-CG 4.34Å; F114-F116 HydrophobicContact CZ-CB 3.95Å; F116-V124 HydrophobicContact CB-CG1 3.71Å; F116-V124 HydrophobicContact CG-CG1 4.42Å; F116-L125 HydrophobicContact CE2-CD1 4.42Å; F116-L125 HydrophobicContact CE2-CG 4.46Å; F116-R128 HydrophobicContact CE1-CG 4.27Å; F116-I136 HydrophobicContact CD1-CG2 4.24Å; F116-I136 HydrophobicContact CE1-CG2 3.78Å; F116-Y137 VanDerWaalsContact CD1-O 3.25Å; F116-Y137 WeakPolarHBondContact CD1-O 3.27Å; F116-Y137 PolarHBondContact N-O 3.37Å; F116-M138 HydrophobicContact CE1-CB 4.18Å; F116-M138 HydrophobicContact CE2-CB 4.3Å; F116-M138 HydrophobicContact CE2-CG 4.02Å; F116-M138 HydrophobicContact CZ-CB 3.85Å; F116-M138 HydrophobicContact CZ-CG 4.06Å; F116-M138 CarbonylContact O-C 3.42Å; F116-M138 WeakPolarHBondContact O-CA 3.46Å; F116-L139 PolarHBondContact O-N 3.27Å; F116-T168 VanDerWaalsContact CA-O 3.3Å; F116-T168 WeakPolarHBondContact CA-O 3.33Å; F116-L200 HydrophobicContact CE1-CD1 3.78Å; F116-L200 HydrophobicContact CZ-CD1 3.69Å |
| 117 | C | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 138.4 | 177 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | E119 N120 L139 I144 T168 F169 | C117-E119 PolarHBondContact O-N 2.79Å; C117-N120 WeakPolarHBondContact CA-OD1 3.31Å; C117-N120 VanDerWaalsContact CB-OD1 3.3Å; C117-N120 WeakPolarHBondContact CB-OD1 3.05Å; C117-N120 PolarHBondContact N-OD1 3.5Å; C117-N120 VanDerWaalsContact O-CB 3.29Å; C117-N120 WeakPolarHBondContact O-CB 3.14Å; C117-N120 PolarHBondContact O-N 3.28Å; C117-N120 VanDerWaalsContact O-N 3.08Å; C117-N120 PolarHBondContact O-OD1 3.31Å; C117-L139 CarbonylContact C-O 3.52Å; C117-L139 WeakPolarHBondContact CA-O 3.1Å; C117-I144 HydrophobicContact CB-CD1 3.78Å; C117-T168 PolarHBondContact N-O 2.85Å; C117-T168 VanDerWaalsContact N-O 3.13Å; C117-F169 HydrophobicContact CB-CB 3.85Å |
| 118 | Q | 95.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 20 Ų | 20 | 8% | 0.084 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -38.9 | 175.3 | -174.8 | 178.4 | 19.4 | 0 | 0 | 111.7 | N120 M138 L139 G416 | Q118-N120 PolarHBondContact O-N 2.71Å; Q118-M138 HydrophobicContact CB-CG 4.05Å; Q118-M138 HydrophobicContact CB-SD 3.8Å; Q118-M138 HydrophobicContact CG-SD 3.79Å; Q118-L139 PolarHBondContact N-O 2.92Å; Q118-G416 CarbonylContact O-C 3.6Å; Q118-G416 WeakPolarHBondContact O-CA 3.25Å |
| 119 | E | 95.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 20.1 | -178 | -65.1 | -178.1 | -111.2 | 0 | 0 | 113.7 | C117 K366 N414 A417 Y421 | C117-E119 PolarHBondContact O-N 2.79Å; E119-K366 IonicContact OE1-NZ 2.65Å; E119-K366 PolarHBondContact OE1-NZ 2.83Å; E119-K366 IonicContact OE2-NZ 3.34Å; E119-N414 PolarHBondContact O-ND2 3.16Å; E119-A417 HydrophobicContact CB-CB 4.16Å; E119-A417 HydrophobicContact CG-CB 3.94Å; E119-Y421 PolarHBondContact OE2-OH 2.95Å |
| 120 | N | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -73.8 | 156.9 | 174.1 | -83 | 129.4 | 0 | 0 | 0 | 113.3 | C117 Q118 V124 L125 T168 F169 S170 N414 | C117-N120 WeakPolarHBondContact CA-OD1 3.31Å; C117-N120 VanDerWaalsContact CB-OD1 3.3Å; C117-N120 WeakPolarHBondContact CB-OD1 3.05Å; C117-N120 PolarHBondContact N-OD1 3.5Å; C117-N120 VanDerWaalsContact O-CB 3.29Å; C117-N120 WeakPolarHBondContact O-CB 3.14Å; C117-N120 PolarHBondContact O-N 3.28Å; C117-N120 VanDerWaalsContact O-N 3.08Å; C117-N120 PolarHBondContact O-OD1 3.31Å; Q118-N120 PolarHBondContact O-N 2.71Å; N120-V124 HydrophobicContact CB-CB 3.71Å; N120-V124 HydrophobicContact CB-CG1 4.02Å; N120-V124 HydrophobicContact CB-CG2 3.85Å; N120-L125 HydrophobicContact CB-CD1 4.38Å; N120-T168 PolarHBondContact OD1-O 3.09Å; N120-F169 VanDerWaalsContact ND2-C 3.27Å; N120-F169 VanDerWaalsContact ND2-CA 3.32Å; N120-F169 WeakPolarHBondContact ND2-CA 3.43Å; N120-S170 PolarHBondContact ND2-N 3.42Å; N120-S170 PolarHBondContact ND2-OG 2.69Å; N120-N414 PolarHBondContact O-OD1 3.49Å |
| 121 | H | 96 | Very high | 94.7 | Very high | 36 Ų | 36 | 29.8 Ų | 29.8 | 17% | 0.167 | 15% | 0.146 | C | C | . | . | trans | -60.8 | 148 | 166.7 | -174.7 | -100.1 | 0 | 0 | 0 | 111.7 | S123 V124 C413 | H121-S123 PolarHBondContact ND1-N 3.12Å; H121-S123 PolarHBondContact ND1-OG 2.7Å; H121-S123 PolarHBondContact O-N 3.02Å; H121-V124 WeakPolarHBondContact O-CB 3.36Å; H121-V124 PolarHBondContact O-N 3.15Å; H121-C413 WeakPolarHBondContact CA-O 3.23Å; H121-C413 PolarHBondContact CD2-O 3.48Å; H121-C413 VanDerWaalsContact CD2-O 3.25Å; H121-C413 VanDerWaalsContact NE2-CB 3.27Å; H121-C413 WeakPolarHBondContact NE2-CB 3.46Å | ||
| 122 | T | 94.2 | Very high | 94.4 | Very high | 53 Ų | 53 | 36.5 Ų | 36.5 | 33% | 0.325 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -53 | -26.2 | -177.7 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | V124 L125 G126 C413 | T122-V124 VanDerWaalsContact C-N 3.27Å; T122-V124 PolarHBondContact O-N 3.11Å; T122-L125 WeakPolarHBondContact O-CB 3.43Å; T122-L125 PolarHBondContact O-N 3.25Å; T122-L125 VanDerWaalsContact O-N 3.15Å; T122-G126 PolarHBondContact O-N 3.48Å; T122-C413 PolarHBondContact N-O 3.09Å; T122-C413 VanDerWaalsContact OG1-C 3.29Å; T122-C413 PolarHBondContact OG1-O 2.76Å |
| 123 | S | 95.5 | Very high | 94 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -31.8 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | L99 H121 G126 M127 | L99-S123 WeakPolarHBondContact CD1-OG 3.45Å; H121-S123 PolarHBondContact ND1-N 3.12Å; H121-S123 PolarHBondContact ND1-OG 2.7Å; H121-S123 PolarHBondContact O-N 3.02Å; S123-G126 PolarHBondContact O-N 2.86Å; S123-M127 PolarHBondContact O-N 2.79Å |
| 124 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.6 | -38.3 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | L99 F114 F116 N120 H121 T122 G126 M127 T168 | L99-V124 HydrophobicContact CD1-CG2 3.86Å; L99-V124 HydrophobicContact CD2-CG2 4.21Å; F114-V124 HydrophobicContact CZ-CG1 4.24Å; F116-V124 HydrophobicContact CB-CG1 3.71Å; F116-V124 HydrophobicContact CG-CG1 4.42Å; N120-V124 HydrophobicContact CB-CB 3.71Å; N120-V124 HydrophobicContact CB-CG1 4.02Å; N120-V124 HydrophobicContact CB-CG2 3.85Å; H121-V124 WeakPolarHBondContact O-CB 3.36Å; H121-V124 PolarHBondContact O-N 3.15Å; T122-V124 VanDerWaalsContact C-N 3.27Å; T122-V124 PolarHBondContact O-N 3.11Å; V124-G126 PolarHBondContact O-N 2.72Å; V124-M127 HydrophobicContact CB-SD 4.42Å; V124-M127 HydrophobicContact CG1-SD 4.07Å; V124-M127 WeakPolarHBondContact O-CB 3.49Å; V124-M127 PolarHBondContact O-N 3.29Å; V124-T168 HydrophobicContact CB-CG2 4.32Å; V124-T168 HydrophobicContact CG1-CG2 3.59Å; V124-T168 HydrophobicContact CG2-CG2 3.74Å |
| 125 | L | 94.7 | Very high | 93.4 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -34.1 | 174.4 | -74.8 | 58.7 | 0 | 0 | 0 | 110.9 | F116 N120 T122 M127 R128 | F116-L125 HydrophobicContact CE2-CD1 4.42Å; F116-L125 HydrophobicContact CE2-CG 4.46Å; N120-L125 HydrophobicContact CB-CD1 4.38Å; T122-L125 WeakPolarHBondContact O-CB 3.43Å; T122-L125 PolarHBondContact O-N 3.25Å; T122-L125 VanDerWaalsContact O-N 3.15Å; L125-M127 VanDerWaalsContact C-N 3.29Å; L125-M127 PolarHBondContact O-N 3.38Å; L125-R128 WeakPolarHBondContact O-CB 3.45Å; L125-R128 WeakPolarHBondContact O-CG 3.41Å; L125-R128 PolarHBondContact O-N 3.23Å; L125-R128 PolarHBondContact O-NE 3.47Å |
| 126 | G | 94.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -70.9 | -17 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T122 S123 V124 R128 E129 | T122-G126 PolarHBondContact O-N 3.48Å; S123-G126 PolarHBondContact O-N 2.86Å; V124-G126 PolarHBondContact O-N 2.72Å; G126-R128 PolarHBondContact O-N 3.34Å; G126-E129 PolarHBondContact O-N 3.45Å |
| 127 | M | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -63 | -31.4 | 172.3 | -62.9 | 175 | 68.5 | 0 | 0 | 111.2 | L99 V102 A103 F114 S123 V124 L125 E129 R130 V131 L166 T168 | L99-M127 HydrophobicContact CB-CG 4.4Å; L99-M127 HydrophobicContact CB-SD 4.17Å; L99-M127 HydrophobicContact CD2-SD 3.87Å; V102-M127 HydrophobicContact CG1-CE 4.36Å; A103-M127 HydrophobicContact CB-CB 3.9Å; A103-M127 HydrophobicContact CB-CE 3.9Å; A103-M127 HydrophobicContact CB-CG 3.96Å; F114-M127 HydrophobicContact CE1-CB 4.07Å; F114-M127 HydrophobicContact CE2-CE 3.92Å; F114-M127 HydrophobicContact CE2-SD 4.33Å; F114-M127 HydrophobicContact CZ-CB 3.82Å; F114-M127 HydrophobicContact CZ-CE 4.12Å; F114-M127 HydrophobicContact CZ-SD 4Å; S123-M127 PolarHBondContact O-N 2.79Å; V124-M127 HydrophobicContact CB-SD 4.42Å; V124-M127 HydrophobicContact CG1-SD 4.07Å; V124-M127 WeakPolarHBondContact O-CB 3.49Å; V124-M127 PolarHBondContact O-N 3.29Å; L125-M127 VanDerWaalsContact C-N 3.29Å; L125-M127 PolarHBondContact O-N 3.38Å; M127-E129 PolarHBondContact O-N 2.85Å; M127-R130 PolarHBondContact O-N 2.69Å; M127-V131 HydrophobicContact CB-CG1 4.46Å; M127-V131 VanDerWaalsContact O-CG2 3.25Å; M127-V131 WeakPolarHBondContact O-CG2 3.43Å; M127-V131 PolarHBondContact O-N 3.18Å; M127-L166 HydrophobicContact CE-CD2 3.95Å; M127-T168 HydrophobicContact SD-CG2 4.21Å |
| 128 | R | 94.4 | Very high | 93.2 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 34% | 0.34 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -54.4 | -26.3 | 179.7 | -64.5 | -173.8 | -64.2 | 170.3 | 4.1 | 114.3 | F114 F116 L125 G126 I136 | F114-R128 HydrophobicContact CD1-CG 4.32Å; F114-R128 HydrophobicContact CE1-CG 3.98Å; F116-R128 HydrophobicContact CE1-CG 4.27Å; L125-R128 WeakPolarHBondContact O-CB 3.45Å; L125-R128 WeakPolarHBondContact O-CG 3.41Å; L125-R128 PolarHBondContact O-N 3.23Å; L125-R128 PolarHBondContact O-NE 3.47Å; G126-R128 PolarHBondContact O-N 3.34Å; R128-I136 HydrophobicContact CB-CD1 3.97Å; R128-I136 HydrophobicContact CG-CD1 4.2Å; R128-I136 HydrophobicContact CG-CG2 4.05Å |
| 129 | E | 92.9 | Very high | 93.2 | Very high | 169 Ų | 169 | 39 Ų | 39 | 79% | 0.79 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -87 | -12.9 | 178.5 | -63.6 | -61.7 | 137.9 | 0 | 0 | 113.3 | G126 M127 | G126-E129 PolarHBondContact O-N 3.45Å; M127-E129 PolarHBondContact O-N 2.85Å |
| 130 | R | 89 | Confident | 93.1 | Very high | 127 Ų | 127 | 45 Ų | 45 | 48% | 0.479 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -27.8 | -173.6 | -69.9 | -162.3 | 175.2 | 84.3 | -2.1 | 114.2 | S100 A103 E104 M127 | S100-R130 WeakPolarHBondContact OG-CD 3.31Å; S100-R130 PolarHBondContact OG-NE 2.83Å; S100-R130 VanDerWaalsContact OG-NE 3.16Å; S100-R130 PolarHBondContact OG-NH1 3.09Å; A103-R130 HydrophobicContact CB-CB 3.96Å; E104-R130 HydrophobicContact CG-CB 4.37Å; E104-R130 WeakPolarHBondContact OE1-CD 3.13Å; E104-R130 IonicContact OE1-CZ 2.81Å; E104-R130 IonicContact OE1-NE 3.49Å; E104-R130 PolarHBondContact OE1-NE 3.13Å; M127-R130 PolarHBondContact O-N 2.69Å |
| 131 | V | 89.9 | Confident | 92.9 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | trans | -60.1 | 153.8 | 175.2 | -73.4 | 0 | 0 | 0 | 0 | 110.4 | A103 F108 F114 M127 E133 | A103-V131 HydrophobicContact CB-CG1 3.9Å; F108-V131 HydrophobicContact CE2-CB 3.76Å; F108-V131 HydrophobicContact CE2-CG1 3.84Å; F108-V131 HydrophobicContact CZ-CB 3.88Å; F108-V131 HydrophobicContact CZ-CG1 3.73Å; F114-V131 HydrophobicContact CB-CG2 4.26Å; F114-V131 HydrophobicContact CD1-CG1 4.49Å; F114-V131 HydrophobicContact CD1-CG2 3.92Å; F114-V131 HydrophobicContact CD2-CG1 4.35Å; F114-V131 HydrophobicContact CG-CG1 4.25Å; F114-V131 HydrophobicContact CG-CG2 4.16Å; M127-V131 HydrophobicContact CB-CG1 4.46Å; M127-V131 VanDerWaalsContact O-CG2 3.25Å; M127-V131 WeakPolarHBondContact O-CG2 3.43Å; M127-V131 PolarHBondContact O-N 3.18Å; V131-E133 WeakPolarHBondContact CB-OE2 3.46Å; V131-E133 HydrophobicContact CG2-CG 4.34Å; V131-E133 WeakPolarHBondContact CG2-OE2 3.33Å; V131-E133 VanDerWaalsContact O-OE2 3.06Å | ||
| 132 | R | 82.8 | Confident | 92.6 | Very high | 143 Ų | 143 | 48.7 Ų | 48.7 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | trans | -124.9 | 66 | 178.8 | -68.5 | -176.2 | 179 | 149.2 | 1.9 | 109.3 | F108 | F108-R132 WeakPolarHBondContact CD2-O 3.48Š| ||
| 133 | E | 84.1 | Confident | 92.6 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | trans | -102.8 | 171.1 | -168.7 | 74 | -62.6 | 156 | 0 | 0 | 112.5 | F108 F114 V131 G135 I136 W201 | F108-E133 HydrophobicContact CD1-CB 3.85Å; F108-E133 HydrophobicContact CD2-CB 4.27Å; F108-E133 HydrophobicContact CE1-CB 3.92Å; F108-E133 HydrophobicContact CE2-CB 4.34Å; F108-E133 HydrophobicContact CG-CB 4.03Å; F108-E133 HydrophobicContact CZ-CB 4.17Å; F114-E133 HydrophobicContact CB-CB 4.21Å; F114-E133 HydrophobicContact CB-CG 4.11Å; V131-E133 WeakPolarHBondContact CB-OE2 3.46Å; V131-E133 HydrophobicContact CG2-CG 4.34Å; V131-E133 WeakPolarHBondContact CG2-OE2 3.33Å; V131-E133 VanDerWaalsContact O-OE2 3.06Å; E133-G135 VanDerWaalsContact CG-O 3.25Å; E133-G135 WeakPolarHBondContact CG-O 3.44Å; E133-I136 HydrophobicContact CG-CD1 4.44Å; E133-I136 HydrophobicContact CG-CG1 3.63Å; E133-I136 WeakPolarHBondContact OE1-CD1 3.48Å; E133-I136 WeakPolarHBondContact OE1-CG1 3.47Å; E133-W201 HydrophobicContact CG-CE3 4.5Å; E133-W201 HydrophobicContact CG-CZ3 4.12Å; E133-W201 WeakPolarHBondContact O-CZ3 3.36Å; E133-W201 VanDerWaalsContact OE1-CZ3 3.29Å; E133-W201 WeakPolarHBondContact OE1-CZ3 3.49Å | ||
| 134 | N | 86.5 | Confident | 92.4 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -101.3 | -5.9 | 174.2 | -59.8 | -81 | 0 | 0 | 0 | 112.8 | G109 S110 S111 G112 S202 S203 L204 | G109-N134 PolarHBondContact O-ND2 3.2Å; S110-N134 PolarHBondContact O-ND2 3.16Å; S110-N134 PolarHBondContact O-OD1 2.8Å; S111-N134 WeakPolarHBondContact CA-ND2 3.45Å; S111-N134 PolarHBondContact N-ND2 3.38Å; G112-N134 PolarHBondContact N-ND2 2.84Å; G112-N134 PolarHBondContact O-N 2.85Å; G112-N134 PolarHBondContact O-ND2 2.81Å; N134-S202 WeakPolarHBondContact O-CA 3.37Å; N134-S202 PolarHBondContact O-OG 2.95Å; N134-S203 WeakPolarHBondContact CA-OG 3.48Å; N134-S203 PolarHBondContact O-N 3.1Å; N134-S203 PolarHBondContact O-OG 2.88Å; N134-L204 HydrophobicContact CB-CD1 3.68Å; N134-L204 HydrophobicContact CB-CG 4.1Å |
| 135 | G | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 148.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E113 F114 E133 W201 | E113-G135 WeakPolarHBondContact CA-O 3.48Å; F114-G135 PolarHBondContact N-O 2.71Å; E133-G135 VanDerWaalsContact CG-O 3.25Å; E133-G135 WeakPolarHBondContact CG-O 3.44Å; G135-W201 CarbonylContact C-O 3.56Å; G135-W201 VanDerWaalsContact CA-O 3.22Å; G135-W201 WeakPolarHBondContact CA-O 3.32Å |
| 136 | I | 95.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.5 | 175.9 | -62.5 | 173.7 | 0 | 0 | 0 | 109.2 | F114 F116 R128 E133 L200 W201 | F114-I136 HydrophobicContact CB-CG1 4.49Å; F114-I136 HydrophobicContact CD1-CG1 4.46Å; F114-I136 HydrophobicContact CD1-CG2 4.27Å; F114-I136 CarbonylContact O-C 3.59Å; F114-I136 WeakPolarHBondContact O-CA 3.06Å; F116-I136 HydrophobicContact CD1-CG2 4.24Å; F116-I136 HydrophobicContact CE1-CG2 3.78Å; R128-I136 HydrophobicContact CB-CD1 3.97Å; R128-I136 HydrophobicContact CG-CD1 4.2Å; R128-I136 HydrophobicContact CG-CG2 4.05Å; E133-I136 HydrophobicContact CG-CD1 4.44Å; E133-I136 HydrophobicContact CG-CG1 3.63Å; E133-I136 WeakPolarHBondContact OE1-CD1 3.48Å; E133-I136 WeakPolarHBondContact OE1-CG1 3.47Å; I136-L200 HydrophobicContact CG2-CB 4.36Å; I136-L200 HydrophobicContact CG2-CD1 4.19Å; I136-L200 PolarHBondContact O-N 3.11Å; I136-W201 HydrophobicContact CG1-CE3 4.34Å; I136-W201 PolarHBondContact N-O 2.96Å; I136-W201 PolarHBondContact O-N 2.79Å |
| 137 | Y | 95.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.9 | 179.7 | -53.5 | -96.7 | 0 | 0 | 0 | 112.2 | E113 F114 H115 F116 P196 K198 E199 K208 | E113-Y137 HydrophobicContact CB-CD2 4.25Å; E113-Y137 HydrophobicContact CB-CE2 3.89Å; E113-Y137 HydrophobicContact CG-CE2 3.89Å; E113-Y137 VanDerWaalsContact OE1-CE2 3.24Å; E113-Y137 WeakPolarHBondContact OE1-CE2 3.43Å; E113-Y137 VanDerWaalsContact OE1-CZ 3.3Å; E113-Y137 PolarHBondContact OE1-OH 2.98Å; F114-Y137 PolarHBondContact O-N 2.82Å; H115-Y137 WeakPolarHBondContact CA-O 3.42Å; H115-Y137 AromaticContact CE1-CD2 3.63Å; H115-Y137 AromaticContact ND1-CD2 3.77Å; H115-Y137 AromaticContact ND1-CG 3.93Å; F116-Y137 VanDerWaalsContact CD1-O 3.25Å; F116-Y137 WeakPolarHBondContact CD1-O 3.27Å; F116-Y137 PolarHBondContact N-O 3.37Å; Y137-P196 WeakPolarHBondContact CB-O 3.44Å; Y137-P196 HydrophobicContact CD1-CB 3.81Å; Y137-P196 HydrophobicContact CD1-CG 4.45Å; Y137-P196 HydrophobicContact CE1-CB 3.82Å; Y137-P196 HydrophobicContact CE1-CG 4.28Å; Y137-P196 HydrophobicContact CG-CB 4.22Å; Y137-K198 WeakPolarHBondContact CA-O 3.45Å; Y137-E199 HydrophobicContact CD1-CB 3.8Å; Y137-E199 HydrophobicContact CD1-CG 4.18Å; Y137-E199 HydrophobicContact CE1-CB 3.69Å; Y137-E199 HydrophobicContact CE1-CG 3.75Å; Y137-K208 WeakPolarHBondContact OH-CE 3.11Å; Y137-K208 PolarHBondContact OH-NZ 2.78Å |
| 138 | M | 95.9 | Very high | 86.7 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.7 | 170.3 | -175.7 | -150.8 | -61.6 | 0 | 0 | 109.5 | F116 Q118 G197 K198 L200 | F116-M138 HydrophobicContact CE1-CB 4.18Å; F116-M138 HydrophobicContact CE2-CB 4.3Å; F116-M138 HydrophobicContact CE2-CG 4.02Å; F116-M138 HydrophobicContact CZ-CB 3.85Å; F116-M138 HydrophobicContact CZ-CG 4.06Å; F116-M138 CarbonylContact O-C 3.42Å; F116-M138 WeakPolarHBondContact O-CA 3.46Å; Q118-M138 HydrophobicContact CB-CG 4.05Å; Q118-M138 HydrophobicContact CB-SD 3.8Å; Q118-M138 HydrophobicContact CG-SD 3.79Å; M138-G197 CarbonylContact O-C 3.53Å; M138-G197 WeakPolarHBondContact O-CA 3.27Å; M138-K198 HydrophobicContact CB-CB 4.5Å; M138-K198 PolarHBondContact N-O 3.29Å; M138-K198 PolarHBondContact O-N 2.88Å; M138-L200 HydrophobicContact CB-CD1 4.27Å; M138-L200 HydrophobicContact CB-CG 4.44Å; M138-L200 HydrophobicContact CE-CD2 4.46Å |
| 139 | L | 96.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 148.8 | 172.9 | -69.2 | 160 | 0 | 0 | 0 | 110.7 | H115 F116 C117 Q118 E143 I144 L167 L193 | H115-L139 HydrophobicContact CB-CD1 3.79Å; F116-L139 PolarHBondContact O-N 3.27Å; C117-L139 CarbonylContact C-O 3.52Å; C117-L139 WeakPolarHBondContact CA-O 3.1Å; Q118-L139 PolarHBondContact N-O 2.92Å; L139-E143 WeakPolarHBondContact CA-OE2 3.47Å; L139-E143 HydrophobicContact CD2-CB 3.79Å; L139-I144 HydrophobicContact CB-CD1 4.32Å; L139-I144 HydrophobicContact CB-CG1 4.1Å; L139-I144 HydrophobicContact CD1-CG1 4.14Å; L139-L167 HydrophobicContact CD1-CD1 3.3Å; L139-L193 HydrophobicContact CD1-CD1 3.74Å; L139-L193 HydrophobicContact CD1-CD2 4.12Å |
| 140 | R | 94.3 | Very high | 82 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 51% | 0.506 | 30% | 0.295 | S | S | . | . | trans | -88.3 | 159.2 | 162.5 | -64.8 | -178.5 | -179.9 | -170.2 | 1.2 | 110 | N142 E143 I144 | R140-N142 WeakPolarHBondContact CB-OD1 3.48Å; R140-N142 PolarHBondContact O-N 3.3Å; R140-E143 HydrophobicContact CB-CG 4.33Å; R140-E143 PolarHBondContact N-OE2 2.98Å; R140-E143 WeakPolarHBondContact O-CB 3.24Å; R140-E143 PolarHBondContact O-N 2.93Å; R140-I144 PolarHBondContact O-N 3.33Å | ||
| 141 | E | 91.9 | Very high | 79.8 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -32.5 | -177.5 | 121.4 | -69.3 | 149.1 | 0 | 0 | 113.1 | E143 I144 S145 Y178 I180 K366 | E141-E143 VanDerWaalsContact C-N 3.31Å; E141-I144 PolarHBondContact O-N 3.37Å; E141-S145 WeakPolarHBondContact O-CB 3.32Å; E141-S145 PolarHBondContact O-N 3.44Å; E141-S145 PolarHBondContact O-OG 2.76Å; E141-Y178 HydrophobicContact CB-CE1 4.28Å; E141-Y178 HydrophobicContact CG-CD1 4.22Å; E141-Y178 HydrophobicContact CG-CE1 3.37Å; E141-I180 HydrophobicContact CB-CD1 4.28Å; E141-I180 HydrophobicContact CB-CG1 4.36Å; E141-K366 IonicContact OE2-NZ 3.74Å; E141-K366 PolarHBondContact OE2-NZ 3.03Å |
| 142 | N | 90.9 | Very high | 77.4 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.3 | -22.3 | 176.5 | 67.2 | -32.3 | 0 | 0 | 0 | 112.8 | R140 I144 S145 G146 | R140-N142 WeakPolarHBondContact CB-OD1 3.48Å; R140-N142 PolarHBondContact O-N 3.3Å; N142-I144 VanDerWaalsContact C-N 3.35Å; N142-S145 WeakPolarHBondContact CA-OG 3.32Å; N142-G146 WeakPolarHBondContact O-CA 3.47Å; N142-G146 PolarHBondContact O-N 3.27Å |
| 143 | E | 92.9 | Very high | 75.1 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -77.5 | -26.5 | 172.8 | -61.5 | 176 | 127.8 | 0 | 0 | 111.3 | L139 R140 E141 | L139-E143 WeakPolarHBondContact CA-OE2 3.47Å; L139-E143 HydrophobicContact CD2-CB 3.79Å; R140-E143 HydrophobicContact CB-CG 4.33Å; R140-E143 PolarHBondContact N-OE2 2.98Å; R140-E143 WeakPolarHBondContact O-CB 3.24Å; R140-E143 PolarHBondContact O-N 2.93Å; E141-E143 VanDerWaalsContact C-N 3.31Å |
| 144 | I | 92.6 | Very high | 72.6 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.6 | -42.9 | 171.7 | -59.3 | 173.6 | 0 | 0 | 0 | 110.7 | C117 L139 R140 E141 N142 F169 I180 V184 I188 | C117-I144 HydrophobicContact CB-CD1 3.78Å; L139-I144 HydrophobicContact CB-CD1 4.32Å; L139-I144 HydrophobicContact CB-CG1 4.1Å; L139-I144 HydrophobicContact CD1-CG1 4.14Å; R140-I144 PolarHBondContact O-N 3.33Å; E141-I144 PolarHBondContact O-N 3.37Å; N142-I144 VanDerWaalsContact C-N 3.35Å; I144-F169 HydrophobicContact CD1-CB 3.88Å; I144-F169 HydrophobicContact CD1-CG 4.34Å; I144-F169 HydrophobicContact CG2-CD1 4.48Å; I144-I180 HydrophobicContact CD1-CD1 4.34Å; I144-I180 HydrophobicContact CG2-CG2 4.12Å; I144-V184 HydrophobicContact CG2-CB 4.44Å; I144-V184 HydrophobicContact CG2-CG2 3.89Å; I144-I188 HydrophobicContact CG2-CD1 3.94Å |
| 145 | S | 85.7 | Confident | 70.4 | Confident | 41 Ų | 41 | 75 Ų | 75 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -93.7 | -17.6 | -173.1 | 59 | 0 | 0 | 0 | 0 | 115.9 | E141 N142 | E141-S145 WeakPolarHBondContact O-CB 3.32Å; E141-S145 PolarHBondContact O-N 3.44Å; E141-S145 PolarHBondContact O-OG 2.76Å; N142-S145 WeakPolarHBondContact CA-OG 3.32Å |
| 146 | G | 70.2 | Confident | 67.9 | Low | 57 Ų | 57 | 83 Ų | 83 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | trans | -92.8 | 2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N142 K148 | N142-G146 WeakPolarHBondContact O-CA 3.47Å; N142-G146 PolarHBondContact O-N 3.27Å; G146-K148 PolarHBondContact O-N 3.3Å | ||
| 147 | G | 57.8 | Low | 65.1 | Low | 28 Ų | 28 | 91.9 Ų | 91.9 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | trans | -72.7 | 83.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H149 | G147-H149 PolarHBondContact O-N 3.05Š| ||
| 148 | K | 49.6 | Very low | 62.8 | Low | 205 Ų | 205 | 95.8 Ų | 95.8 | 89% | 0.891 | 51% | 0.512 | S | S | * | . | trans | -79.4 | 96.7 | 153.4 | -73.7 | -171.5 | 179.5 | -177.1 | 0 | 107.5 | G146 K150 | G146-K148 PolarHBondContact O-N 3.3Å; K148-K150 PolarHBondContact O-N 3.46Å | ||
| 149 | H | 49 | Very low | 60.3 | Low | 62 Ų | 62 | 100.1 Ų | 100.1 | 29% | 0.287 | 55% | 0.546 | S | S | . | . | trans | -62.2 | 121 | 173.1 | -79.5 | -68 | 0 | 0 | 0 | 109.7 | G147 D191 G192 | G147-H149 PolarHBondContact O-N 3.05Å; H149-D191 WeakPolarHBondContact CD2-CB 3.03Å; H149-D191 IonicContact CD2-OD2 3.34Å; H149-D191 PolarHBondContact CD2-OD2 3.07Å; H149-D191 IonicContact CG-OD2 2.8Å; H149-D191 VanDerWaalsContact NE2-CB 3.34Å; H149-D191 WeakPolarHBondContact NE2-CB 3.49Å; H149-G192 PolarHBondContact NE2-O 2.65Å | ||
| 150 | K | 40.8 | Very low | 58.1 | Low | 187 Ų | 187 | 102.3 Ų | 102.3 | 81% | 0.813 | 57% | 0.569 | S | S | * | * | trans | -72.9 | 119.7 | 142.3 | -78.9 | -175.5 | 177.8 | -179.8 | 0 | 103.6 | K148 N152 | K148-K150 PolarHBondContact O-N 3.46Å; K150-N152 PolarHBondContact O-N 2.87Å | ||
| 151 | A | 42.6 | Very low | 56.1 | Low | 95 Ų | 95 | 105.1 Ų | 105.1 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | trans | -52.2 | 93.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | G153 | A151-G153 PolarHBondContact O-N 2.76Å; A151-G153 VanDerWaalsContact O-N 3.11Å | ||
| 152 | N | 39.3 | Very low | 55.3 | Low | 152 Ų | 152 | 106.5 Ų | 106.5 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | trans | -63.3 | 116.3 | 162.8 | -89.7 | -11.1 | 0 | 0 | 0 | 104 | K150 | K150-N152 PolarHBondContact O-N 2.87Š| ||
| 153 | G | 35.1 | Very low | 55.2 | Low | 58 Ų | 58 | 102.4 Ų | 102.4 | 60% | 0.598 | 57% | 0.574 | S | S | * | * | trans | -50.3 | 148.4 | -156.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A151 V155 | A151-G153 PolarHBondContact O-N 2.76Å; A151-G153 VanDerWaalsContact O-N 3.11Å; G153-V155 PolarHBondContact O-N 3.46Å | ||
| 154 | K | 30.6 | Very low | 55.3 | Low | 208 Ų | 208 | 100.3 Ų | 100.3 | 90% | 0.904 | 57% | 0.565 | S | S | * | * | trans | 2.4 | 89 | 159.2 | -66.1 | -176.4 | 176.9 | -176.3 | 0 | 112.2 | H156 | K154-H156 PolarHBondContact O-N 2.93Š| ||
| 155 | V | 41.7 | Very low | 55.5 | Low | 110 Ų | 110 | 100 Ų | 100 | 67% | 0.667 | 56% | 0.563 | S | S | * | * | trans | -67.5 | 121.4 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | G153 | G153-V155 PolarHBondContact O-N 3.46Š| ||
| 156 | H | 38.2 | Very low | 56.1 | Low | 168 Ų | 168 | 98.1 Ų | 98.1 | 78% | 0.778 | 55% | 0.549 | S | S | * | . | trans | -44.2 | 144.8 | 175.4 | -72.9 | -91.9 | 0 | 0 | 0 | 111.3 | K154 V158 | K154-H156 PolarHBondContact O-N 2.93Å; H156-V158 VanDerWaalsContact C-N 3.34Å; H156-V158 WeakPolarHBondContact O-CG2 3.13Å; H156-V158 PolarHBondContact O-N 2.93Å | ||
| 157 | E | 37 | Very low | 57.4 | Low | 198 Ų | 198 | 95.4 Ų | 95.4 | 93% | 0.925 | 52% | 0.521 | S | S | * | . | trans | -48.4 | 97.5 | 166.9 | -76.5 | 177.5 | 145.9 | 0 | 0 | 109.6 | S159 | E157-S159 PolarHBondContact O-N 2.77Š| ||
| 158 | V | 45.7 | Very low | 59.3 | Low | 86 Ų | 86 | 94 Ų | 94 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | trans | -82.9 | 97.1 | 168.9 | -178.5 | 0 | 0 | 0 | 0 | 105.6 | H156 G160 | H156-V158 VanDerWaalsContact C-N 3.34Å; H156-V158 WeakPolarHBondContact O-CG2 3.13Å; H156-V158 PolarHBondContact O-N 2.93Å; V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 2.85Å | ||
| 159 | S | 44.1 | Very low | 61.6 | Low | 126 Ų | 126 | 84.3 Ų | 84.3 | 88% | 0.881 | 47% | 0.465 | S | S | * | . | trans | -70.3 | 82.2 | 172.4 | 65.4 | 0 | 0 | 0 | 0 | 109.8 | E157 | E157-S159 PolarHBondContact O-N 2.77Š| ||
| 160 | G | 49.2 | Very low | 64 | Low | 47 Ų | 47 | 81.6 Ų | 81.6 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -166.8 | 153 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | V158 T162 | V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 2.85Å; G160-T162 PolarHBondContact O-N 3.45Å |
| 161 | K | 52.7 | Low | 66.7 | Low | 193 Ų | 193 | 72.7 Ų | 72.7 | 84% | 0.839 | 42% | 0.415 | S | S | * | . | trans | -55.9 | 114.9 | 176.9 | -75.1 | -174.9 | 175.2 | -175.8 | 0 | 109.4 | ||||
| 162 | T | 75.7 | Confident | 69.3 | Low | 58 Ų | 58 | 68.4 Ų | 68.4 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | trans | -70.6 | 147.4 | 171.5 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | G160 H212 D214 | G160-T162 PolarHBondContact O-N 3.45Å; T162-H212 WeakPolarHBondContact CB-O 3.34Å; T162-H212 HydrophobicContact CG2-CB 4.28Å; T162-D214 PolarHBondContact OG1-OD2 3.25Å | ||
| 163 | G | 89.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 167.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F108 S111 N213 D214 | F108-G163 WeakPolarHBondContact O-CA 3.3Å; S111-G163 WeakPolarHBondContact OG-CA 3.33Å; S111-G163 PolarHBondContact OG-N 2.75Å; G163-N213 VanDerWaalsContact CA-OD1 3.25Å; G163-N213 WeakPolarHBondContact CA-OD1 3.46Å; G163-N213 PolarHBondContact N-OD1 3.48Å; G163-N213 CarbonylContact O-C 3.52Å; G163-N213 WeakPolarHBondContact O-CA 3.34Å; G163-N213 PolarHBondContact O-OD1 3.49Å; G163-D214 PolarHBondContact O-N 2.79Å |
| 164 | N | 94.9 | Very high | 75.1 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.8 | 173 | -53.4 | -53.8 | 0 | 0 | 0 | 109.1 | F106 D107 F108 G112 D214 Y216 V266 | F106-N164 HydrophobicContact CE1-CB 3.88Å; F106-N164 WeakPolarHBondContact CE1-O 3.32Å; F106-N164 HydrophobicContact CZ-CB 3.7Å; D107-N164 WeakPolarHBondContact O-CB 3.25Å; D107-N164 PolarHBondContact O-ND2 3Å; F108-N164 WeakPolarHBondContact CA-O 3.49Å; F108-N164 WeakPolarHBondContact CD1-O 3.41Å; F108-N164 PolarHBondContact O-N 3.01Å; F108-N164 VanDerWaalsContact O-N 3.07Å; G112-N164 WeakPolarHBondContact CA-O 3.29Å; N164-D214 CarbonylContact C-O 3.55Å; N164-D214 WeakPolarHBondContact CA-O 3.45Å; N164-Y216 HydrophobicContact CB-CD2 4.03Å; N164-Y216 HydrophobicContact CB-CE2 3.9Å; N164-V266 HydrophobicContact CB-CG1 4.05Å; N164-V266 WeakPolarHBondContact ND2-CG1 3.44Å |
| 165 | S | 95.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.1 | 174.7 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | E113 N213 D214 Y216 | E113-S165 PolarHBondContact N-OG 2.89Å; E113-S165 VanDerWaalsContact N-OG 3.14Å; E113-S165 CarbonylContact O-C 3.15Å; E113-S165 WeakPolarHBondContact O-CA 3.37Å; E113-S165 WeakPolarHBondContact O-CB 3.44Å; S165-N213 WeakPolarHBondContact OG-CB 3.22Å; S165-N213 PolarHBondContact OG-ND2 2.9Å; S165-D214 PolarHBondContact N-O 3.17Å; S165-Y216 PolarHBondContact O-N 2.86Å |
| 166 | L | 98 | Very high | 80.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.5 | 177.4 | -177.9 | 67.3 | 0 | 0 | 0 | 109.6 | V102 F106 F108 E113 F114 H115 M127 Y216 C218 Y239 | V102-L166 HydrophobicContact CG1-CD1 4.37Å; V102-L166 HydrophobicContact CG1-CD2 3.76Å; F106-L166 HydrophobicContact CB-CD2 4.4Å; F106-L166 HydrophobicContact CD1-CB 3.95Å; F106-L166 HydrophobicContact CD1-CD2 4.43Å; F106-L166 HydrophobicContact CD2-CD1 4.04Å; F106-L166 HydrophobicContact CD2-CD2 4.48Å; F106-L166 HydrophobicContact CE1-CB 3.71Å; F106-L166 HydrophobicContact CE2-CB 4.35Å; F106-L166 HydrophobicContact CE2-CD1 3.96Å; F106-L166 HydrophobicContact CG-CB 4.35Å; F106-L166 HydrophobicContact CG-CD1 4.49Å; F106-L166 HydrophobicContact CG-CD2 4.18Å; F106-L166 HydrophobicContact CZ-CB 3.92Å; F106-L166 HydrophobicContact CZ-CD1 4.33Å; F108-L166 HydrophobicContact CE1-CB 3.92Å; F108-L166 HydrophobicContact CZ-CB 4.12Å; F108-L166 HydrophobicContact CZ-CD2 4.43Å; E113-L166 PolarHBondContact O-N 3Å; F114-L166 HydrophobicContact CD2-CB 4.22Å; F114-L166 HydrophobicContact CD2-CD2 4.11Å; F114-L166 HydrophobicContact CD2-CG 4.28Å; F114-L166 HydrophobicContact CE2-CD2 4.14Å; F114-L166 HydrophobicContact CE2-CG 4.43Å; H115-L166 PolarHBondContact N-O 2.74Å; M127-L166 HydrophobicContact CE-CD2 3.95Å; L166-Y216 WeakPolarHBondContact CA-O 3.47Å; L166-C218 HydrophobicContact CD1-CB 3.96Å; L166-Y239 HydrophobicContact CD1-CD2 4Å; L166-Y239 HydrophobicContact CD1-CE2 3.92Å |
| 167 | L | 97.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.4 | 170.3 | 175.5 | 69.4 | 0 | 0 | 0 | 110 | H115 L139 F169 I188 L193 Y216 I217 C218 | H115-L167 HydrophobicContact CB-CB 4.39Å; H115-L167 HydrophobicContact CB-CD1 3.51Å; H115-L167 CarbonylContact O-C 3.57Å; H115-L167 WeakPolarHBondContact O-CA 3.43Å; L139-L167 HydrophobicContact CD1-CD1 3.3Å; L167-F169 HydrophobicContact CD2-CD1 4.12Å; L167-F169 HydrophobicContact CD2-CE1 4.38Å; L167-F169 HydrophobicContact CG-CD1 4.19Å; L167-I188 HydrophobicContact CD2-CD1 3.59Å; L167-I188 HydrophobicContact CD2-CG2 4.07Å; L167-L193 HydrophobicContact CD2-CD2 4.2Å; L167-Y216 PolarHBondContact N-O 3.11Å; L167-I217 HydrophobicContact CB-CD1 3.93Å; L167-I217 HydrophobicContact CD2-CD1 3.85Å; L167-I217 HydrophobicContact CG-CD1 4.31Å; L167-I217 WeakPolarHBondContact O-CA 3.32Å; L167-C218 PolarHBondContact O-N 3.05Å |
| 168 | T | 98.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.4 | 173.7 | -56 | 0 | 0 | 0 | 0 | 111.3 | L99 F114 H115 F116 C117 N120 V124 M127 C218 | L99-T168 HydrophobicContact CD2-CG2 4.1Å; F114-T168 WeakPolarHBondContact CE2-OG1 3.25Å; H115-T168 PolarHBondContact O-N 2.94Å; F116-T168 VanDerWaalsContact CA-O 3.3Å; F116-T168 WeakPolarHBondContact CA-O 3.33Å; C117-T168 PolarHBondContact N-O 2.85Å; C117-T168 VanDerWaalsContact N-O 3.13Å; N120-T168 PolarHBondContact OD1-O 3.09Å; V124-T168 HydrophobicContact CB-CG2 4.32Å; V124-T168 HydrophobicContact CG1-CG2 3.59Å; V124-T168 HydrophobicContact CG2-CG2 3.74Å; M127-T168 HydrophobicContact SD-CG2 4.21Å; T168-C218 VanDerWaalsContact CA-O 3.28Å; T168-C218 WeakPolarHBondContact CA-O 3.35Å; T168-C218 HydrophobicContact CG2-CB 4.18Å; T168-C218 WeakPolarHBondContact OG1-CB 3.24Å |
| 169 | F | 98.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 152.7 | 171.2 | 68.2 | -90.9 | 0 | 0 | 0 | 111.6 | C117 N120 I144 L167 I180 L182 V184 I185 I217 C218 L219 D220 | C117-F169 HydrophobicContact CB-CB 3.85Å; N120-F169 VanDerWaalsContact ND2-C 3.27Å; N120-F169 VanDerWaalsContact ND2-CA 3.32Å; N120-F169 WeakPolarHBondContact ND2-CA 3.43Å; I144-F169 HydrophobicContact CD1-CB 3.88Å; I144-F169 HydrophobicContact CD1-CG 4.34Å; I144-F169 HydrophobicContact CG2-CD1 4.48Å; L167-F169 HydrophobicContact CD2-CD1 4.12Å; L167-F169 HydrophobicContact CD2-CE1 4.38Å; L167-F169 HydrophobicContact CG-CD1 4.19Å; F169-I180 HydrophobicContact CB-CD1 4.12Å; F169-I180 HydrophobicContact CD2-CB 4.13Å; F169-I180 HydrophobicContact CD2-CD1 3.75Å; F169-I180 HydrophobicContact CD2-CG2 4.09Å; F169-I180 HydrophobicContact CE2-CB 4.14Å; F169-I180 HydrophobicContact CE2-CG2 3.87Å; F169-I180 HydrophobicContact CG-CD1 4.23Å; F169-L182 HydrophobicContact CE2-CD2 4.46Å; F169-V184 HydrophobicContact CE1-CG2 4.43Å; F169-V184 HydrophobicContact CZ-CG2 3.93Å; F169-I185 HydrophobicContact CE1-CG1 4.44Å; F169-I185 HydrophobicContact CZ-CD1 4.37Å; F169-I185 HydrophobicContact CZ-CG1 3.85Å; F169-I217 HydrophobicContact CD1-CG2 4.4Å; F169-I217 HydrophobicContact CE1-CG2 3.67Å; F169-I217 HydrophobicContact CZ-CG2 4.32Å; F169-C218 PolarHBondContact N-O 2.91Å; F169-L219 HydrophobicContact CD2-CD1 3.96Å; F169-L219 HydrophobicContact CE1-CD1 4.48Å; F169-L219 HydrophobicContact CE2-CD1 3.41Å; F169-L219 VanDerWaalsContact CE2-CD1 3.41Å; F169-L219 HydrophobicContact CZ-CD1 3.72Å; F169-D220 PolarHBondContact O-N 2.85Å |
| 170 | S | 98 | Very high | 91.5 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.3 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 108.8 | N120 Q172 D220 | N120-S170 PolarHBondContact ND2-N 3.42Å; N120-S170 PolarHBondContact ND2-OG 2.69Å; S170-Q172 PolarHBondContact O-N 2.94Å; S170-D220 CarbonylContact C-O 3.56Å; S170-D220 VanDerWaalsContact CA-O 3.26Å; S170-D220 WeakPolarHBondContact CA-O 3.39Å; S170-D220 PolarHBondContact OG-OD2 3.37Å |
| 171 | A | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -60.6 | -31.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | K179 I180 L182 L219 D220 F224 | A171-K179 VanDerWaalsContact O-CA 3.27Å; A171-K179 WeakPolarHBondContact O-CA 3.34Å; A171-I180 PolarHBondContact O-N 3.22Å; A171-L182 HydrophobicContact CB-CD2 4.13Å; A171-L219 HydrophobicContact CB-CD1 3.79Å; A171-L219 HydrophobicContact CB-CD2 4.22Å; A171-L219 HydrophobicContact CB-CG 4.02Å; A171-D220 PolarHBondContact N-O 2.78Å; A171-F224 HydrophobicContact CB-CB 3.53Å; A171-F224 HydrophobicContact CB-CD1 4.26Å; A171-F224 HydrophobicContact CB-CD2 3.76Å; A171-F224 HydrophobicContact CB-CG 3.61Å |
| 172 | Q | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.019 | 4% | 0.042 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 128.5 | 170.7 | -172.1 | 174 | -61.4 | 0 | 0 | 109.6 | S170 N174 G177 Y178 K179 S223 F224 | S170-Q172 PolarHBondContact O-N 2.94Å; Q172-N174 PolarHBondContact O-N 2.95Å; Q172-G177 WeakPolarHBondContact CG-O 3.2Å; Q172-Y178 CarbonylContact C-O 3.39Å; Q172-Y178 VanDerWaalsContact CA-O 3.32Å; Q172-Y178 WeakPolarHBondContact CA-O 3.46Å; Q172-K179 HydrophobicContact CB-CG 4.18Å; Q172-K179 HydrophobicContact CG-CG 4.01Å; Q172-S223 PolarHBondContact NE2-O 3.38Å; Q172-F224 HydrophobicContact CB-CB 3.74Å; Q172-F224 HydrophobicContact CB-CD2 4.04Å; Q172-F224 HydrophobicContact CB-CG 4.39Å |
| 173 | C | 97.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 9.5 Ų | 9.5 | 3% | 0.034 | 5% | 0.049 | C | C | . | . | trans | -66.1 | 119.4 | 172.5 | -180 | 0 | 0 | 0 | 0 | 109.7 | F175 S176 G177 Y178 | C173-F175 PolarHBondContact O-N 3.31Å; C173-S176 WeakPolarHBondContact CB-OG 3.32Å; C173-S176 PolarHBondContact SG-OG 2.95Å; C173-S176 VanDerWaalsContact SG-OG 3.4Å; C173-G177 VanDerWaalsContact O-CA 3.31Å; C173-G177 WeakPolarHBondContact O-CA 3.22Å; C173-G177 PolarHBondContact O-N 2.88Å; C173-Y178 PolarHBondContact N-O 2.74Å | ||
| 174 | N | 97.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 10.2 Ų | 10.2 | 4% | 0.043 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7 | 180 | 69.6 | -57 | 0 | 0 | 0 | 113.5 | Q172 F412 N414 R456 | Q172-N174 PolarHBondContact O-N 2.95Å; N174-F412 PolarHBondContact ND2-O 3.31Å; N174-N414 WeakPolarHBondContact OD1-CB 3.41Å; N174-N414 PolarHBondContact OD1-ND2 2.76Å; N174-R456 WeakPolarHBondContact O-CD 3.34Å; N174-R456 PolarHBondContact O-NH1 3.11Å |
| 175 | F | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -58.1 | 171 | -175 | -74.1 | 0 | 0 | 0 | 111.2 | C173 Y364 I378 A380 F412 N414 A417 C418 Y421 A454 | C173-F175 PolarHBondContact O-N 3.31Å; F175-Y364 HydrophobicContact CE1-CD2 4.01Å; F175-Y364 HydrophobicContact CE1-CG 4.23Å; F175-Y364 HydrophobicContact CZ-CD2 4.17Å; F175-I378 WeakPolarHBondContact O-CG2 3.42Å; F175-A380 HydrophobicContact CD1-CB 4.13Å; F175-A380 HydrophobicContact CE1-CB 3.92Å; F175-A380 WeakPolarHBondContact O-CB 3.24Å; F175-F412 HydrophobicContact CB-CD2 4.12Å; F175-F412 AromaticContact CD2-CD2 3.27Å; F175-F412 HydrophobicContact CD2-CD2 3.27Å; F175-F412 AromaticContact CD2-CE2 3.53Å; F175-F412 HydrophobicContact CD2-CE2 3.53Å; F175-F412 HydrophobicContact CD2-CG 4.44Å; F175-F412 AromaticContact CE2-CD2 3.74Å; F175-F412 HydrophobicContact CE2-CD2 3.74Å; F175-F412 AromaticContact CE2-CE2 3.52Å; F175-F412 HydrophobicContact CE2-CE2 3.52Å; F175-F412 AromaticContact CG-CD2 3.77Å; F175-F412 HydrophobicContact CG-CD2 3.77Å; F175-F412 HydrophobicContact CG-CE2 4.04Å; F175-F412 HydrophobicContact CZ-CE2 4.06Å; F175-N414 HydrophobicContact CB-CB 4.32Å; F175-A417 HydrophobicContact CB-CB 3.68Å; F175-A417 HydrophobicContact CD1-CB 4.44Å; F175-A417 HydrophobicContact CD2-CB 4.34Å; F175-A417 HydrophobicContact CG-CB 3.93Å; F175-C418 HydrophobicContact CD2-CB 4.37Å; F175-C418 HydrophobicContact CE2-CB 4.02Å; F175-Y421 AromaticContact CD1-CD2 3.63Å; F175-Y421 HydrophobicContact CD1-CD2 3.63Å; F175-Y421 HydrophobicContact CD1-CE2 4.07Å; F175-Y421 HydrophobicContact CD1-CG 4.38Å; F175-Y421 AromaticContact CE1-CD2 3.64Å; F175-Y421 HydrophobicContact CE1-CD2 3.64Å; F175-Y421 HydrophobicContact CE1-CE2 4.46Å; F175-Y421 AromaticContact CE1-CG 3.96Å; F175-Y421 HydrophobicContact CE1-CG 3.96Å; F175-A454 HydrophobicContact CE2-CB 4.22Å; F175-A454 HydrophobicContact CZ-CB 3.7Å |
| 176 | S | 97 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -14.6 | -168.5 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | C173 Y178 Q375 Y421 | C173-S176 WeakPolarHBondContact CB-OG 3.32Å; C173-S176 PolarHBondContact SG-OG 2.95Å; C173-S176 VanDerWaalsContact SG-OG 3.4Å; S176-Y178 PolarHBondContact O-N 2.75Å; S176-Y178 WeakPolarHBondContact OG-CB 3.49Å; S176-Y178 PolarHBondContact OG-N 3.3Å; S176-Q375 PolarHBondContact O-NE2 3.27Å; S176-Y421 WeakPolarHBondContact CB-OH 3.04Å; S176-Y421 PolarHBondContact OG-OH 2.96Å |
| 177 | G | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | 79.2 | -1.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q172 C173 K179 Q375 G376 | Q172-G177 WeakPolarHBondContact CG-O 3.2Å; C173-G177 VanDerWaalsContact O-CA 3.31Å; C173-G177 WeakPolarHBondContact O-CA 3.22Å; C173-G177 PolarHBondContact O-N 2.88Å; G177-K179 PolarHBondContact O-N 2.91Å; G177-Q375 PolarHBondContact O-OE1 2.94Å; G177-G376 PolarHBondContact O-N 3.34Å | ||
| 178 | Y | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 136 | -179.6 | 177.5 | -100.3 | 0 | 0 | 0 | 111.6 | E141 Q172 C173 S176 I180 V367 R374 Q375 | E141-Y178 HydrophobicContact CB-CE1 4.28Å; E141-Y178 HydrophobicContact CG-CD1 4.22Å; E141-Y178 HydrophobicContact CG-CE1 3.37Å; Q172-Y178 CarbonylContact C-O 3.39Å; Q172-Y178 VanDerWaalsContact CA-O 3.32Å; Q172-Y178 WeakPolarHBondContact CA-O 3.46Å; C173-Y178 PolarHBondContact N-O 2.74Å; S176-Y178 PolarHBondContact O-N 2.75Å; S176-Y178 WeakPolarHBondContact OG-CB 3.49Å; S176-Y178 PolarHBondContact OG-N 3.3Å; Y178-I180 HydrophobicContact CD1-CG1 4.35Å; Y178-I180 HydrophobicContact CE1-CG1 3.85Å; Y178-V367 HydrophobicContact CD2-CG1 4.06Å; Y178-V367 HydrophobicContact CD2-CG2 3.86Å; Y178-V367 HydrophobicContact CE2-CG1 3.62Å; Y178-V367 HydrophobicContact CE2-CG2 4.12Å; Y178-R374 WeakPolarHBondContact CD2-O 3.34Å; Y178-R374 PolarHBondContact OH-NH2 2.89Å; Y178-Q375 VanDerWaalsContact N-OE1 3.17Å |
| 179 | K | 97.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.017 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -109.3 | 123.6 | 178.4 | -62.4 | 170.9 | 175.4 | 178.1 | 0 | 110.2 | A171 Q172 G177 F224 S228 K372 S373 R374 | A171-K179 VanDerWaalsContact O-CA 3.27Å; A171-K179 WeakPolarHBondContact O-CA 3.34Å; Q172-K179 HydrophobicContact CB-CG 4.18Å; Q172-K179 HydrophobicContact CG-CG 4.01Å; G177-K179 PolarHBondContact O-N 2.91Å; K179-F224 HydrophobicContact CD-CD2 4.25Å; K179-F224 HydrophobicContact CD-CE2 3.93Å; K179-F224 HydrophobicContact CG-CD2 4.18Å; K179-F224 HydrophobicContact CG-CE2 4.23Å; K179-S228 VanDerWaalsContact CE-OG 3.29Å; K179-S228 WeakPolarHBondContact CE-OG 3.47Å; K179-S228 PolarHBondContact NZ-OG 3Å; K179-K372 PolarHBondContact NZ-O 3.16Å; K179-S373 VanDerWaalsContact CB-O 3.29Å; K179-S373 WeakPolarHBondContact CB-O 3.3Å; K179-S373 WeakPolarHBondContact CD-O 3.29Å; K179-R374 PolarHBondContact N-O 2.74Å |
| 180 | I | 95.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | trans | -72.4 | 130.6 | 170.4 | -66.4 | 173.7 | 0 | 0 | 0 | 107.4 | E141 I144 F169 A171 Y178 L182 V184 | E141-I180 HydrophobicContact CB-CD1 4.28Å; E141-I180 HydrophobicContact CB-CG1 4.36Å; I144-I180 HydrophobicContact CD1-CD1 4.34Å; I144-I180 HydrophobicContact CG2-CG2 4.12Å; F169-I180 HydrophobicContact CB-CD1 4.12Å; F169-I180 HydrophobicContact CD2-CB 4.13Å; F169-I180 HydrophobicContact CD2-CD1 3.75Å; F169-I180 HydrophobicContact CD2-CG2 4.09Å; F169-I180 HydrophobicContact CE2-CB 4.14Å; F169-I180 HydrophobicContact CE2-CG2 3.87Å; F169-I180 HydrophobicContact CG-CD1 4.23Å; A171-I180 PolarHBondContact O-N 3.22Å; Y178-I180 HydrophobicContact CD1-CG1 4.35Å; Y178-I180 HydrophobicContact CE1-CG1 3.85Å; I180-L182 PolarHBondContact O-N 2.92Å; I180-V184 HydrophobicContact CG2-CG2 4.14Å | ||
| 181 | P | 96.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 31 Ų | 31 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | trans | -54.8 | 127 | 175.5 | -24.6 | 34.2 | 0 | 0 | 0 | 110.8 | E183 V184 | P181-E183 VanDerWaalsContact CB-OE2 3.29Å; P181-E183 WeakPolarHBondContact CB-OE2 3.27Å; P181-E183 PolarHBondContact O-N 3.24Å; P181-V184 HydrophobicContact CB-CG1 4.46Å; P181-V184 WeakPolarHBondContact O-CG1 3.43Å; P181-V184 WeakPolarHBondContact O-CG2 3.38Å; P181-V184 PolarHBondContact O-N 3.13Å | ||
| 182 | L | 97.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.6 | -174.9 | -61.6 | -177.8 | 0 | 0 | 0 | 112.5 | F169 A171 I180 V184 I185 L219 F224 L230 Y235 | F169-L182 HydrophobicContact CE2-CD2 4.46Å; A171-L182 HydrophobicContact CB-CD2 4.13Å; I180-L182 PolarHBondContact O-N 2.92Å; L182-V184 PolarHBondContact O-N 3Å; L182-V184 VanDerWaalsContact O-N 3.17Å; L182-I185 HydrophobicContact CB-CD1 4.17Å; L182-I185 HydrophobicContact CD2-CD1 4.15Å; L182-I185 VanDerWaalsContact O-CB 3.32Å; L182-I185 WeakPolarHBondContact O-CB 3.31Å; L182-I185 VanDerWaalsContact O-CG1 3.24Å; L182-I185 WeakPolarHBondContact O-CG1 3.37Å; L182-I185 PolarHBondContact O-N 2.98Å; L182-I185 VanDerWaalsContact O-N 3.11Å; L182-L219 HydrophobicContact CD2-CD1 4.02Å; L182-L219 HydrophobicContact CD2-CD2 4.25Å; L182-F224 HydrophobicContact CD1-CE1 4.37Å; L182-F224 HydrophobicContact CD1-CZ 4.01Å; L182-L230 HydrophobicContact CD1-CD1 3.76Å; L182-Y235 HydrophobicContact CB-CD1 3.56Å; L182-Y235 HydrophobicContact CB-CD2 3.89Å; L182-Y235 HydrophobicContact CB-CE1 3.77Å; L182-Y235 HydrophobicContact CB-CE2 4.05Å; L182-Y235 HydrophobicContact CB-CG 3.62Å; L182-Y235 HydrophobicContact CD1-CD2 3.69Å; L182-Y235 HydrophobicContact CD1-CE2 3.92Å; L182-Y235 HydrophobicContact CD1-CG 4.18Å; L182-Y235 HydrophobicContact CG-CD2 4.46Å |
| 183 | E | 95.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 32.3 Ų | 32.3 | 50% | 0.5 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.8 | 172.9 | -62.5 | 75.6 | -166 | 0 | 0 | 112.4 | P181 I185 Y235 | P181-E183 VanDerWaalsContact CB-OE2 3.29Å; P181-E183 WeakPolarHBondContact CB-OE2 3.27Å; P181-E183 PolarHBondContact O-N 3.24Å; E183-I185 PolarHBondContact O-N 3.48Å; E183-Y235 HydrophobicContact CG-CE1 4.22Å; E183-Y235 PolarHBondContact OE1-OH 2.89Å |
| 184 | V | 95.7 | Very high | 95 | Very high | 15 Ų | 15 | 35 Ų | 35 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -20.5 | 177 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | I144 F169 I180 P181 L182 Q187 I188 | I144-V184 HydrophobicContact CG2-CB 4.44Å; I144-V184 HydrophobicContact CG2-CG2 3.89Å; F169-V184 HydrophobicContact CE1-CG2 4.43Å; F169-V184 HydrophobicContact CZ-CG2 3.93Å; I180-V184 HydrophobicContact CG2-CG2 4.14Å; P181-V184 HydrophobicContact CB-CG1 4.46Å; P181-V184 WeakPolarHBondContact O-CG1 3.43Å; P181-V184 WeakPolarHBondContact O-CG2 3.38Å; P181-V184 PolarHBondContact O-N 3.13Å; L182-V184 PolarHBondContact O-N 3Å; L182-V184 VanDerWaalsContact O-N 3.17Å; V184-Q187 PolarHBondContact O-N 3.12Å; V184-I188 HydrophobicContact CB-CD1 4.22Å; V184-I188 HydrophobicContact CG2-CD1 4.35Å; V184-I188 WeakPolarHBondContact O-CB 3.29Å; V184-I188 WeakPolarHBondContact O-CD1 3.34Å; V184-I188 WeakPolarHBondContact O-CG1 3.45Å; V184-I188 PolarHBondContact O-N 3.1Å |
| 185 | I | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -57.8 | -176 | -67.7 | 172.9 | 0 | 0 | 0 | 110.1 | F169 L182 E183 Q187 I188 Q189 I217 L219 P237 | F169-I185 HydrophobicContact CE1-CG1 4.44Å; F169-I185 HydrophobicContact CZ-CD1 4.37Å; F169-I185 HydrophobicContact CZ-CG1 3.85Å; L182-I185 HydrophobicContact CB-CD1 4.17Å; L182-I185 HydrophobicContact CD2-CD1 4.15Å; L182-I185 VanDerWaalsContact O-CB 3.32Å; L182-I185 WeakPolarHBondContact O-CB 3.31Å; L182-I185 VanDerWaalsContact O-CG1 3.24Å; L182-I185 WeakPolarHBondContact O-CG1 3.37Å; L182-I185 PolarHBondContact O-N 2.98Å; L182-I185 VanDerWaalsContact O-N 3.11Å; E183-I185 PolarHBondContact O-N 3.48Å; I185-Q187 VanDerWaalsContact C-N 3.32Å; I185-Q187 PolarHBondContact O-N 3.46Å; I185-I188 PolarHBondContact O-N 3.06Å; I185-Q189 VanDerWaalsContact O-CG 3.28Å; I185-Q189 WeakPolarHBondContact O-CG 3.48Å; I185-Q189 PolarHBondContact O-N 3.22Å; I185-I217 HydrophobicContact CG1-CG2 4.26Å; I185-I217 HydrophobicContact CG2-CB 4.37Å; I185-I217 HydrophobicContact CG2-CG1 4.1Å; I185-I217 HydrophobicContact CG2-CG2 4.44Å; I185-L219 HydrophobicContact CD1-CD1 4.43Å; I185-L219 HydrophobicContact CD1-CD2 4.38Å; I185-P237 HydrophobicContact CD1-CB 4.18Å; I185-P237 HydrophobicContact CD1-CG 4.4Å; I185-P237 HydrophobicContact CG2-CB 4.3Å |
| 186 | E | 96.2 | Very high | 93.8 | Very high | 137 Ų | 137 | 44.7 Ų | 44.7 | 64% | 0.64 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.5 | -43 | 179.6 | 179.5 | 176.1 | -134.3 | 0 | 0 | 110.7 | I188 Q189 I190 | E186-I188 VanDerWaalsContact C-N 3.31Å; E186-I188 PolarHBondContact O-N 3.28Å; E186-Q189 PolarHBondContact O-N 2.64Å; E186-I190 HydrophobicContact CG-CD1 3.71Å; E186-I190 HydrophobicContact CG-CG1 4.45Å; E186-I190 WeakPolarHBondContact O-CG1 3.21Å; E186-I190 PolarHBondContact O-N 3.24Å |
| 187 | Q | 94 | Very high | 93.5 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 36% | 0.36 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 179.4 | -178.3 | 57.1 | 88.4 | 0 | 0 | 112.6 | V184 I185 D191 | V184-Q187 PolarHBondContact O-N 3.12Å; I185-Q187 VanDerWaalsContact C-N 3.32Å; I185-Q187 PolarHBondContact O-N 3.46Å; Q187-D191 PolarHBondContact NE2-OD2 3.44Å; Q187-D191 PolarHBondContact O-N 3.27Å |
| 188 | I | 95.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.2 | -35.9 | 179 | -66.2 | 167.3 | 0 | 0 | 0 | 111.1 | I144 L167 V184 I185 E186 I190 G192 L193 Y215 I217 | I144-I188 HydrophobicContact CG2-CD1 3.94Å; L167-I188 HydrophobicContact CD2-CD1 3.59Å; L167-I188 HydrophobicContact CD2-CG2 4.07Å; V184-I188 HydrophobicContact CB-CD1 4.22Å; V184-I188 HydrophobicContact CG2-CD1 4.35Å; V184-I188 WeakPolarHBondContact O-CB 3.29Å; V184-I188 WeakPolarHBondContact O-CD1 3.34Å; V184-I188 WeakPolarHBondContact O-CG1 3.45Å; V184-I188 PolarHBondContact O-N 3.1Å; I185-I188 PolarHBondContact O-N 3.06Å; E186-I188 VanDerWaalsContact C-N 3.31Å; E186-I188 PolarHBondContact O-N 3.28Å; I188-I190 PolarHBondContact O-N 3.22Å; I188-G192 WeakPolarHBondContact O-CA 3.32Å; I188-G192 PolarHBondContact O-N 2.92Å; I188-L193 HydrophobicContact CD1-CD2 4.1Å; I188-L193 HydrophobicContact CG1-CD2 4.33Å; I188-L193 HydrophobicContact CG2-CD2 4.25Å; I188-L193 HydrophobicContact CG2-CG 4.41Å; I188-Y215 HydrophobicContact CG2-CD1 4.15Å; I188-Y215 HydrophobicContact CG2-CG 4.27Å; I188-Y215 WeakPolarHBondContact O-CB 3.49Å; I188-I217 HydrophobicContact CB-CD1 4.19Å; I188-I217 HydrophobicContact CG2-CD1 3.83Å |
| 189 | Q | 95.6 | Very high | 93.2 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -31.5 | 175.9 | -73 | 169.9 | -33.7 | 0 | 0 | 112.3 | I185 E186 I217 R236 D238 | I185-Q189 VanDerWaalsContact O-CG 3.28Å; I185-Q189 WeakPolarHBondContact O-CG 3.48Å; I185-Q189 PolarHBondContact O-N 3.22Å; E186-Q189 PolarHBondContact O-N 2.64Å; Q189-I217 HydrophobicContact CG-CG1 3.78Å; Q189-R236 PolarHBondContact NE2-O 3.28Å; Q189-R236 PolarHBondContact OE1-O 2.99Å; Q189-D238 PolarHBondContact NE2-OD2 3.46Å |
| 190 | I | 93.3 | Very high | 92.9 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -88 | -53.2 | 179.9 | -63 | 172.2 | 0 | 0 | 0 | 112 | E186 I188 | E186-I190 HydrophobicContact CG-CD1 3.71Å; E186-I190 HydrophobicContact CG-CG1 4.45Å; E186-I190 WeakPolarHBondContact O-CG1 3.21Å; E186-I190 PolarHBondContact O-N 3.24Å; I188-I190 PolarHBondContact O-N 3.22Å |
| 191 | D | 90.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 64 Ų | 64 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -101.9 | -6.7 | -169.6 | -69.5 | -17.4 | 0 | 0 | 0 | 113.5 | H149 Q187 | H149-D191 WeakPolarHBondContact CD2-CB 3.03Å; H149-D191 IonicContact CD2-OD2 3.34Å; H149-D191 PolarHBondContact CD2-OD2 3.07Å; H149-D191 IonicContact CG-OD2 2.8Å; H149-D191 VanDerWaalsContact NE2-CB 3.34Å; H149-D191 WeakPolarHBondContact NE2-CB 3.49Å; Q187-D191 PolarHBondContact NE2-OD2 3.44Å; Q187-D191 PolarHBondContact O-N 3.27Å |
| 192 | G | 91 | Very high | 92.3 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | trans | 67.5 | -168.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H149 I188 | H149-G192 PolarHBondContact NE2-O 2.65Å; I188-G192 WeakPolarHBondContact O-CA 3.32Å; I188-G192 PolarHBondContact O-N 2.92Å | ||
| 193 | L | 90 | Very high | 91.7 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | trans | -85 | 137 | 178.8 | -70.2 | 172.3 | 0 | 0 | 0 | 111.8 | H115 L139 L167 I188 K195 Y215 | H115-L193 HydrophobicContact CB-CD1 4.19Å; H115-L193 WeakPolarHBondContact ND1-CD1 3.32Å; L139-L193 HydrophobicContact CD1-CD1 3.74Å; L139-L193 HydrophobicContact CD1-CD2 4.12Å; L167-L193 HydrophobicContact CD2-CD2 4.2Å; I188-L193 HydrophobicContact CD1-CD2 4.1Å; I188-L193 HydrophobicContact CG1-CD2 4.33Å; I188-L193 HydrophobicContact CG2-CD2 4.25Å; I188-L193 HydrophobicContact CG2-CG 4.41Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 WeakPolarHBondContact CB-O 3.25Å; L193-K195 PolarHBondContact O-N 2.99Å; L193-Y215 HydrophobicContact CB-CE1 4.27Å; L193-Y215 HydrophobicContact CD1-CE1 3.71Å; L193-Y215 HydrophobicContact CG-CD1 4.34Å; L193-Y215 HydrophobicContact CG-CE1 3.74Å | ||
| 194 | A | 86 | Confident | 90.7 | Very high | 63 Ų | 63 | 64.6 Ų | 64.6 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -65.6 | -30.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 195 | K | 85.9 | Confident | 89.4 | Confident | 151 Ų | 151 | 65.9 Ų | 65.9 | 66% | 0.657 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -144 | 146.8 | 173.1 | -67.6 | -175.8 | -178.8 | 179.2 | 0 | 108.8 | L193 G197 | L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 WeakPolarHBondContact CB-O 3.25Å; L193-K195 PolarHBondContact O-N 2.99Å; K195-G197 VanDerWaalsContact C-N 3.26Å; K195-G197 PolarHBondContact O-N 3.1Å |
| 196 | P | 84.5 | Confident | 87.6 | Confident | 59 Ų | 59 | 75 Ų | 75 | 38% | 0.383 | 40% | 0.395 | S | S | . | . | trans | -70 | -21 | -177.8 | 27.8 | -35.3 | 0 | 0 | 0 | 113.8 | H115 Y137 | H115-P196 PolarHBondContact ND1-O 3.29Å; Y137-P196 WeakPolarHBondContact CB-O 3.44Å; Y137-P196 HydrophobicContact CD1-CB 3.81Å; Y137-P196 HydrophobicContact CD1-CG 4.45Å; Y137-P196 HydrophobicContact CE1-CB 3.82Å; Y137-P196 HydrophobicContact CE1-CG 4.28Å; Y137-P196 HydrophobicContact CG-CB 4.22Å | ||
| 197 | G | 91 | Very high | 85.7 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | trans | 99.9 | -169.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M138 K195 E199 | M138-G197 CarbonylContact O-C 3.53Å; M138-G197 WeakPolarHBondContact O-CA 3.27Å; K195-G197 VanDerWaalsContact C-N 3.26Å; K195-G197 PolarHBondContact O-N 3.1Å; G197-E199 PolarHBondContact O-N 2.93Å | ||
| 198 | K | 93.6 | Very high | 84 | Confident | 112 Ų | 112 | 76 Ų | 76 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 113.2 | 172.9 | -178.2 | -179.2 | 179.7 | -179 | 0 | 108.9 | Y137 M138 L200 E426 | Y137-K198 WeakPolarHBondContact CA-O 3.45Å; M138-K198 HydrophobicContact CB-CB 4.5Å; M138-K198 PolarHBondContact N-O 3.29Å; M138-K198 PolarHBondContact O-N 2.88Å; K198-L200 HydrophobicContact CD-CD2 4.31Å; K198-L200 HydrophobicContact CG-CD2 4.28Å; K198-L200 PolarHBondContact O-N 2.76Å; K198-E426 IonicContact NZ-OE1 3.24Å; K198-E426 PolarHBondContact NZ-OE1 2.97Å |
| 199 | E | 93.8 | Very high | 81.9 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 125.5 | 173.2 | -172.3 | 171.9 | 142.8 | 0 | 0 | 110.2 | Y137 G197 S202 K208 | Y137-E199 HydrophobicContact CD1-CB 3.8Å; Y137-E199 HydrophobicContact CD1-CG 4.18Å; Y137-E199 HydrophobicContact CE1-CB 3.69Å; Y137-E199 HydrophobicContact CE1-CG 3.75Å; G197-E199 PolarHBondContact O-N 2.93Å; E199-S202 VanDerWaalsContact OE1-CB 3.29Å; E199-S202 WeakPolarHBondContact OE1-CB 3.32Å; E199-K208 IonicContact OE1-NZ 2.79Å; E199-K208 PolarHBondContact OE1-NZ 3.5Å; E199-K208 IonicContact OE2-NZ 3.68Å; E199-K208 PolarHBondContact OE2-NZ 2.77Å |
| 200 | L | 92.3 | Very high | 79.9 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 35% | 0.346 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -34.8 | 174.6 | -57.2 | -173.6 | 0 | 0 | 0 | 111.5 | F116 I136 M138 K198 | F116-L200 HydrophobicContact CE1-CD1 3.78Å; F116-L200 HydrophobicContact CZ-CD1 3.69Å; I136-L200 HydrophobicContact CG2-CB 4.36Å; I136-L200 HydrophobicContact CG2-CD1 4.19Å; I136-L200 PolarHBondContact O-N 3.11Å; M138-L200 HydrophobicContact CB-CD1 4.27Å; M138-L200 HydrophobicContact CB-CG 4.44Å; M138-L200 HydrophobicContact CE-CD2 4.46Å; K198-L200 HydrophobicContact CD-CD2 4.31Å; K198-L200 HydrophobicContact CG-CD2 4.28Å; K198-L200 PolarHBondContact O-N 2.76Å |
| 201 | W | 90.9 | Very high | 78.7 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 147.7 | -179.1 | 177.9 | 85.6 | 0 | 0 | 0 | 110.3 | E133 G135 I136 | E133-W201 HydrophobicContact CG-CE3 4.5Å; E133-W201 HydrophobicContact CG-CZ3 4.12Å; E133-W201 WeakPolarHBondContact O-CZ3 3.36Å; E133-W201 VanDerWaalsContact OE1-CZ3 3.29Å; E133-W201 WeakPolarHBondContact OE1-CZ3 3.49Å; G135-W201 CarbonylContact C-O 3.56Å; G135-W201 VanDerWaalsContact CA-O 3.22Å; G135-W201 WeakPolarHBondContact CA-O 3.32Å; I136-W201 HydrophobicContact CG1-CE3 4.34Å; I136-W201 PolarHBondContact N-O 2.96Å; I136-W201 PolarHBondContact O-N 2.79Å |
| 202 | S | 88.2 | Confident | 78.2 | Confident | 27 Ų | 27 | 89.8 Ų | 89.8 | 19% | 0.189 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 142.1 | 170.1 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | N134 E199 L204 K208 | N134-S202 WeakPolarHBondContact O-CA 3.37Å; N134-S202 PolarHBondContact O-OG 2.95Å; E199-S202 VanDerWaalsContact OE1-CB 3.29Å; E199-S202 WeakPolarHBondContact OE1-CB 3.32Å; S202-L204 PolarHBondContact OG-N 2.86Å; S202-K208 VanDerWaalsContact CB-NZ 3.33Å; S202-K208 WeakPolarHBondContact OG-CE 3.48Å; S202-K208 PolarHBondContact OG-NZ 2.78Å; S202-K208 VanDerWaalsContact OG-NZ 3.1Å |
| 203 | S | 84.7 | Confident | 78.1 | Confident | 66 Ų | 66 | 90.2 Ų | 90.2 | 46% | 0.462 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -88 | -20.2 | 173.9 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | N134 | N134-S203 WeakPolarHBondContact CA-OG 3.48Å; N134-S203 PolarHBondContact O-N 3.1Å; N134-S203 PolarHBondContact O-OG 2.88Å |
| 204 | L | 74 | Confident | 78.3 | Confident | 58 Ų | 58 | 91.8 Ų | 91.8 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -94.8 | -9.4 | -171 | -68.3 | 173.1 | 0 | 0 | 0 | 114.7 | N134 S202 K207 K208 | N134-L204 HydrophobicContact CB-CD1 3.68Å; N134-L204 HydrophobicContact CB-CG 4.1Å; S202-L204 PolarHBondContact OG-N 2.86Å; L204-K207 PolarHBondContact O-N 3.21Å; L204-K208 HydrophobicContact CB-CG 4.39Å |
| 205 | G | 68.3 | Low | 78.7 | Confident | 43 Ų | 43 | 90.2 Ų | 90.2 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | 53.7 | -138.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K207 K208 | G205-K207 VanDerWaalsContact C-N 3.31Å; G205-K207 PolarHBondContact O-N 2.85Å; G205-K208 WeakPolarHBondContact O-CD 3.31Å; G205-K208 WeakPolarHBondContact O-CE 3.37Å; G205-K208 WeakPolarHBondContact O-CG 3.44Å |
| 206 | E | 60.4 | Low | 79.3 | Confident | 192 Ų | 192 | 84 Ų | 84 | 90% | 0.897 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -75.1 | -9.7 | 180 | -69.4 | -171.2 | 161.3 | 0 | 0 | 115 | K208 | E206-K208 PolarHBondContact O-N 2.94Š|
| 207 | K | 55.9 | Low | 80 | Confident | 192 Ų | 192 | 81.1 Ų | 81.1 | 84% | 0.835 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -69.2 | 8.6 | -176.4 | -70.5 | -176 | 177.1 | 177.8 | 0 | 114.3 | L204 G205 | L204-K207 PolarHBondContact O-N 3.21Å; G205-K207 VanDerWaalsContact C-N 3.31Å; G205-K207 PolarHBondContact O-N 2.85Å |
| 208 | K | 58.3 | Low | 80.4 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 19% | 0.191 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -70.3 | -29.7 | -171.4 | -76.4 | 175.8 | -174.7 | 179 | 0 | 116.8 | Y137 E199 S202 L204 G205 E206 N210 M211 | Y137-K208 WeakPolarHBondContact OH-CE 3.11Å; Y137-K208 PolarHBondContact OH-NZ 2.78Å; E199-K208 IonicContact OE1-NZ 2.79Å; E199-K208 PolarHBondContact OE1-NZ 3.5Å; E199-K208 IonicContact OE2-NZ 3.68Å; E199-K208 PolarHBondContact OE2-NZ 2.77Å; S202-K208 VanDerWaalsContact CB-NZ 3.33Å; S202-K208 WeakPolarHBondContact OG-CE 3.48Å; S202-K208 PolarHBondContact OG-NZ 2.78Å; S202-K208 VanDerWaalsContact OG-NZ 3.1Å; L204-K208 HydrophobicContact CB-CG 4.39Å; G205-K208 WeakPolarHBondContact O-CD 3.31Å; G205-K208 WeakPolarHBondContact O-CE 3.37Å; G205-K208 WeakPolarHBondContact O-CG 3.44Å; E206-K208 PolarHBondContact O-N 2.94Å; K208-N210 PolarHBondContact O-N 2.77Å; K208-M211 PolarHBondContact O-N 3.05Å |
| 209 | K | 51.7 | Low | 80.6 | Confident | 199 Ų | 199 | 74.9 Ų | 74.9 | 87% | 0.865 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -7.1 | -150.5 | -84.7 | -175.6 | 177.4 | 174.4 | 0 | 118.2 | ||
| 210 | N | 53.9 | Low | 80.8 | Confident | 150 Ų | 150 | 70.5 Ų | 70.5 | 80% | 0.802 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 22 | -174.1 | -71.1 | -14.3 | 0 | 0 | 0 | 115.3 | K208 | K208-N210 PolarHBondContact O-N 2.77Š|
| 211 | M | 67.5 | Low | 81.1 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 47% | 0.473 | 33% | 0.333 | S | S | . | . | trans | -98.3 | 128.9 | 178 | -58.9 | -166.3 | 80.5 | 0 | 0 | 111.5 | S111 K208 | S111-M211 VanDerWaalsContact CB-CE 3.4Å; S111-M211 WeakPolarHBondContact CB-SD 3.49Å; K208-M211 PolarHBondContact O-N 3.05Å | ||
| 212 | H | 80 | Confident | 81.5 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | trans | -88.3 | 130 | 172.2 | -179.5 | -83.3 | 0 | 0 | 0 | 109.4 | T162 D214 | T162-H212 WeakPolarHBondContact CB-O 3.34Å; T162-H212 HydrophobicContact CG2-CB 4.28Å; H212-D214 IonicContact CE1-OD1 3.18Å; H212-D214 PolarHBondContact CE1-OD1 3.3Å | ||
| 213 | N | 88.6 | Confident | 82 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.8 | 175 | -70.8 | -29 | 0 | 0 | 0 | 110.2 | S111 G163 S165 Y215 | S111-N213 WeakPolarHBondContact CB-OD1 3.4Å; S111-N213 PolarHBondContact O-ND2 2.93Å; S111-N213 PolarHBondContact O-OD1 3.14Å; S111-N213 PolarHBondContact OG-OD1 2.94Å; G163-N213 VanDerWaalsContact CA-OD1 3.25Å; G163-N213 WeakPolarHBondContact CA-OD1 3.46Å; G163-N213 PolarHBondContact N-OD1 3.48Å; G163-N213 CarbonylContact O-C 3.52Å; G163-N213 WeakPolarHBondContact O-CA 3.34Å; G163-N213 PolarHBondContact O-OD1 3.49Å; S165-N213 WeakPolarHBondContact OG-CB 3.22Å; S165-N213 PolarHBondContact OG-ND2 2.9Å; N213-Y215 WeakPolarHBondContact O-CD2 3.28Å |
| 214 | D | 94.3 | Very high | 82.6 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131 | 172.5 | -63.8 | -56 | 0 | 0 | 0 | 109.6 | T162 G163 N164 S165 H212 Y216 | T162-D214 PolarHBondContact OG1-OD2 3.25Å; G163-D214 PolarHBondContact O-N 2.79Å; N164-D214 CarbonylContact C-O 3.55Å; N164-D214 WeakPolarHBondContact CA-O 3.45Å; S165-D214 PolarHBondContact N-O 3.17Å; H212-D214 IonicContact CE1-OD1 3.18Å; H212-D214 PolarHBondContact CE1-OD1 3.3Å; D214-Y216 HydrophobicContact CB-CE2 3.83Å; D214-Y216 WeakPolarHBondContact O-CD2 3.46Å |
| 215 | Y | 95.9 | Very high | 83.8 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.5 | -174 | -82.4 | -91.5 | 0 | 0 | 0 | 112.8 | H115 I188 L193 N213 R262 | H115-Y215 AromaticContact NE2-CE1 3.79Å; I188-Y215 HydrophobicContact CG2-CD1 4.15Å; I188-Y215 HydrophobicContact CG2-CG 4.27Å; I188-Y215 WeakPolarHBondContact O-CB 3.49Å; L193-Y215 HydrophobicContact CB-CE1 4.27Å; L193-Y215 HydrophobicContact CD1-CE1 3.71Å; L193-Y215 HydrophobicContact CG-CD1 4.34Å; L193-Y215 HydrophobicContact CG-CE1 3.74Å; N213-Y215 WeakPolarHBondContact O-CD2 3.28Å; Y215-R262 PolarHBondContact O-NH1 2.68Å; Y215-R262 VanDerWaalsContact O-NH1 3.09Å; Y215-R262 PolarHBondContact O-NH2 2.8Å |
| 216 | Y | 98.2 | Very high | 85.2 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.9 | 177.7 | -67.3 | -103.7 | 0 | 0 | 0 | 110.3 | F106 N164 S165 L166 L167 D214 D238 R262 V266 | F106-Y216 HydrophobicContact CE2-CD1 4.22Å; F106-Y216 HydrophobicContact CE2-CD2 4.08Å; F106-Y216 AromaticContact CE2-CG 3.71Å; F106-Y216 HydrophobicContact CE2-CG 3.71Å; F106-Y216 AromaticContact CZ-CD2 3.79Å; F106-Y216 HydrophobicContact CZ-CD2 3.79Å; F106-Y216 AromaticContact CZ-CG 3.87Å; F106-Y216 HydrophobicContact CZ-CG 3.87Å; N164-Y216 HydrophobicContact CB-CD2 4.03Å; N164-Y216 HydrophobicContact CB-CE2 3.9Å; S165-Y216 PolarHBondContact O-N 2.86Å; L166-Y216 WeakPolarHBondContact CA-O 3.47Å; L167-Y216 PolarHBondContact N-O 3.11Å; D214-Y216 HydrophobicContact CB-CE2 3.83Å; D214-Y216 WeakPolarHBondContact O-CD2 3.46Å; Y216-D238 VanDerWaalsContact CA-OD2 3.25Å; Y216-D238 WeakPolarHBondContact CA-OD2 3.48Å; Y216-D238 HydrophobicContact CD1-CB 4.03Å; Y216-R262 HydrophobicContact CD1-CG 4.4Å; Y216-R262 HydrophobicContact CE1-CG 3.68Å; Y216-V266 HydrophobicContact CD1-CG2 4.4Å; Y216-V266 HydrophobicContact CE1-CB 4.07Å; Y216-V266 HydrophobicContact CE1-CG2 3.47Å; Y216-V266 VanDerWaalsContact CE1-CG2 3.47Å; Y216-V266 HydrophobicContact CE2-CG2 4.02Å; Y216-V266 WeakPolarHBondContact OH-CG2 3.24Å |
| 217 | I | 98.5 | Very high | 87 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.3 | -175.1 | -54.4 | -57.4 | 0 | 0 | 0 | 110.7 | L167 F169 I185 I188 Q189 P237 D238 Y239 | L167-I217 HydrophobicContact CB-CD1 3.93Å; L167-I217 HydrophobicContact CD2-CD1 3.85Å; L167-I217 HydrophobicContact CG-CD1 4.31Å; L167-I217 WeakPolarHBondContact O-CA 3.32Å; F169-I217 HydrophobicContact CD1-CG2 4.4Å; F169-I217 HydrophobicContact CE1-CG2 3.67Å; F169-I217 HydrophobicContact CZ-CG2 4.32Å; I185-I217 HydrophobicContact CG1-CG2 4.26Å; I185-I217 HydrophobicContact CG2-CB 4.37Å; I185-I217 HydrophobicContact CG2-CG1 4.1Å; I185-I217 HydrophobicContact CG2-CG2 4.44Å; I188-I217 HydrophobicContact CB-CD1 4.19Å; I188-I217 HydrophobicContact CG2-CD1 3.83Å; Q189-I217 HydrophobicContact CG-CG1 3.78Å; I217-P237 HydrophobicContact CB-CB 4.29Å; I217-P237 HydrophobicContact CG2-CB 4.02Å; I217-D238 PolarHBondContact N-OD2 3.22Å; I217-D238 PolarHBondContact O-N 3.34Å; I217-Y239 PolarHBondContact O-N 2.96Å |
| 218 | C | 98.7 | Very high | 89 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 107.8 | 164.8 | -175.3 | 0 | 0 | 0 | 0 | 110 | L166 L167 T168 F169 Y239 | L166-C218 HydrophobicContact CD1-CB 3.96Å; L167-C218 PolarHBondContact O-N 3.05Å; T168-C218 VanDerWaalsContact CA-O 3.28Å; T168-C218 WeakPolarHBondContact CA-O 3.35Å; T168-C218 HydrophobicContact CG2-CB 4.18Å; T168-C218 WeakPolarHBondContact OG1-CB 3.24Å; F169-C218 PolarHBondContact N-O 2.91Å; C218-Y239 HydrophobicContact CB-CD2 4.18Å |
| 219 | L | 98.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111 | 179.6 | -168.2 | 68.3 | 0 | 0 | 0 | 110.3 | F169 A171 L182 I185 A221 L230 P237 Y239 V240 C241 | F169-L219 HydrophobicContact CD2-CD1 3.96Å; F169-L219 HydrophobicContact CE1-CD1 4.48Å; F169-L219 HydrophobicContact CE2-CD1 3.41Å; F169-L219 VanDerWaalsContact CE2-CD1 3.41Å; F169-L219 HydrophobicContact CZ-CD1 3.72Å; A171-L219 HydrophobicContact CB-CD1 3.79Å; A171-L219 HydrophobicContact CB-CD2 4.22Å; A171-L219 HydrophobicContact CB-CG 4.02Å; L182-L219 HydrophobicContact CD2-CD1 4.02Å; L182-L219 HydrophobicContact CD2-CD2 4.25Å; I185-L219 HydrophobicContact CD1-CD1 4.43Å; I185-L219 HydrophobicContact CD1-CD2 4.38Å; L219-A221 PolarHBondContact O-N 3.35Å; L219-L230 HydrophobicContact CD2-CD1 4.19Å; L219-L230 HydrophobicContact CD2-CD2 4.3Å; L219-P237 HydrophobicContact CB-CB 3.85Å; L219-P237 HydrophobicContact CB-CG 4.1Å; L219-P237 HydrophobicContact CD2-CG 4.07Å; L219-Y239 PolarHBondContact N-O 3.02Å; L219-V240 WeakPolarHBondContact O-CA 3.09Å; L219-C241 PolarHBondContact O-N 2.71Å; L219-C241 VanDerWaalsContact O-N 3.12Å |
| 220 | D | 98.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 93.6 | 165.6 | 171.3 | 27 | 0 | 0 | 0 | 110 | F169 S170 A171 A222 C241 | F169-D220 PolarHBondContact O-N 2.85Å; S170-D220 CarbonylContact C-O 3.56Å; S170-D220 VanDerWaalsContact CA-O 3.26Å; S170-D220 WeakPolarHBondContact CA-O 3.39Å; S170-D220 PolarHBondContact OG-OD2 3.37Å; A171-D220 PolarHBondContact N-O 2.78Å; D220-A222 WeakPolarHBondContact OD1-CB 3.2Å; D220-A222 PolarHBondContact OD1-N 3.38Å; D220-C241 VanDerWaalsContact CA-SG 3.51Å |
| 221 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -90.9 | -4.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L219 S223 F224 V225 L230 V240 C241 | L219-A221 PolarHBondContact O-N 3.35Å; A221-S223 VanDerWaalsContact C-N 3.33Å; A221-S223 PolarHBondContact O-N 3.42Å; A221-S223 VanDerWaalsContact O-N 3.17Å; A221-F224 WeakPolarHBondContact O-CA 3.5Å; A221-F224 WeakPolarHBondContact O-CB 3.32Å; A221-F224 PolarHBondContact O-N 3.48Å; A221-V225 HydrophobicContact CB-CG1 3.83Å; A221-V225 WeakPolarHBondContact O-CG2 3.43Å; A221-V225 PolarHBondContact O-N 2.9Å; A221-L230 HydrophobicContact CB-CD2 4.17Å; A221-V240 HydrophobicContact CB-CG1 3.54Å; A221-C241 PolarHBondContact N-O 2.8Å; A221-C241 VanDerWaalsContact N-O 3.14Å | ||
| 222 | A | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -38.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A95 D220 C241 K246 | A95-A222 HydrophobicContact CB-CB 3.71Å; D220-A222 WeakPolarHBondContact OD1-CB 3.2Å; D220-A222 PolarHBondContact OD1-N 3.38Å; A222-C241 PolarHBondContact N-O 2.97Å; A222-K246 HydrophobicContact CB-CD 4.26Å; A222-K246 WeakPolarHBondContact O-CD 3.48Å |
| 223 | S | 98 | Very high | 97.6 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -24.2 | 174.2 | -171.9 | 0 | 0 | 0 | 0 | 113.2 | Q172 A221 | Q172-S223 PolarHBondContact NE2-O 3.38Å; A221-S223 VanDerWaalsContact C-N 3.33Å; A221-S223 PolarHBondContact O-N 3.42Å; A221-S223 VanDerWaalsContact O-N 3.17Å |
| 224 | F | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 23.4 Ų | 23.4 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -51.6 | -175.2 | 179.6 | -89.3 | 0 | 0 | 0 | 110.9 | A171 Q172 K179 L182 A221 A226 T227 S228 P229 L230 | A171-F224 HydrophobicContact CB-CB 3.53Å; A171-F224 HydrophobicContact CB-CD1 4.26Å; A171-F224 HydrophobicContact CB-CD2 3.76Å; A171-F224 HydrophobicContact CB-CG 3.61Å; Q172-F224 HydrophobicContact CB-CB 3.74Å; Q172-F224 HydrophobicContact CB-CD2 4.04Å; Q172-F224 HydrophobicContact CB-CG 4.39Å; K179-F224 HydrophobicContact CD-CD2 4.25Å; K179-F224 HydrophobicContact CD-CE2 3.93Å; K179-F224 HydrophobicContact CG-CD2 4.18Å; K179-F224 HydrophobicContact CG-CE2 4.23Å; L182-F224 HydrophobicContact CD1-CE1 4.37Å; L182-F224 HydrophobicContact CD1-CZ 4.01Å; A221-F224 WeakPolarHBondContact O-CA 3.5Å; A221-F224 WeakPolarHBondContact O-CB 3.32Å; A221-F224 PolarHBondContact O-N 3.48Å; F224-A226 PolarHBondContact O-N 3.05Å; F224-T227 PolarHBondContact O-N 3.22Å; F224-T227 VanDerWaalsContact O-N 3.15Å; F224-S228 WeakPolarHBondContact O-CA 3.39Å; F224-S228 VanDerWaalsContact O-CB 3.22Å; F224-S228 WeakPolarHBondContact O-CB 3.41Å; F224-S228 PolarHBondContact O-N 2.87Å; F224-S228 PolarHBondContact O-OG 3.34Å; F224-P229 WeakPolarHBondContact CE1-O 3.29Å; F224-L230 HydrophobicContact CD1-CB 4.38Å; F224-L230 HydrophobicContact CE1-CB 4Å; F224-L230 HydrophobicContact CE1-CD1 4.37Å |
| 225 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.2 | -175.8 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | F80 A221 T227 L230 L242 I247 M331 | F80-V225 HydrophobicContact CE1-CB 4.08Å; F80-V225 HydrophobicContact CE1-CG1 3.6Å; F80-V225 HydrophobicContact CZ-CB 4.42Å; F80-V225 HydrophobicContact CZ-CG1 4.22Å; A221-V225 HydrophobicContact CB-CG1 3.83Å; A221-V225 WeakPolarHBondContact O-CG2 3.43Å; A221-V225 PolarHBondContact O-N 2.9Å; V225-T227 PolarHBondContact O-N 2.8Å; V225-L230 HydrophobicContact CG1-CB 3.98Å; V225-L230 HydrophobicContact CG1-CD2 3.97Å; V225-L242 HydrophobicContact CG2-CB 4.04Å; V225-L242 HydrophobicContact CG2-CD1 4.48Å; V225-I247 HydrophobicContact CB-CD1 4.39Å; V225-I247 HydrophobicContact CG2-CD1 3.82Å; V225-I247 HydrophobicContact CG2-CG1 4.2Å; V225-M331 WeakPolarHBondContact O-CE 3.46Å |
| 226 | A | 98.1 | Very high | 98.3 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 11% | 0.107 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F224 K246 | F224-A226 PolarHBondContact O-N 3.05Å; A226-K246 HydrophobicContact CB-CB 4.16Å; A226-K246 WeakPolarHBondContact CB-O 2.95Å |
| 227 | T | 98.3 | Very high | 98.3 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145 | 8.4 | -174.8 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | F224 V225 I334 S335 V338 | F224-T227 PolarHBondContact O-N 3.22Å; F224-T227 VanDerWaalsContact O-N 3.15Å; V225-T227 PolarHBondContact O-N 2.8Å; T227-I334 HydrophobicContact CG2-CG2 4.46Å; T227-S335 WeakPolarHBondContact O-CA 3.25Å; T227-S335 VanDerWaalsContact O-CB 3.23Å; T227-S335 WeakPolarHBondContact O-CB 3.37Å; T227-S335 PolarHBondContact O-N 3.39Å; T227-V338 HydrophobicContact CG2-CG1 4.21Å; T227-V338 HydrophobicContact CG2-CG2 4.26Å |
| 228 | S | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -137 | 145.1 | -176.5 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | K179 F224 | K179-S228 VanDerWaalsContact CE-OG 3.29Å; K179-S228 WeakPolarHBondContact CE-OG 3.47Å; K179-S228 PolarHBondContact NZ-OG 3Å; F224-S228 WeakPolarHBondContact O-CA 3.39Å; F224-S228 VanDerWaalsContact O-CB 3.22Å; F224-S228 WeakPolarHBondContact O-CB 3.41Å; F224-S228 PolarHBondContact O-N 2.87Å; F224-S228 PolarHBondContact O-OG 3.34Å |
| 229 | P | 97.9 | Very high | 98.3 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 32% | 0.318 | 13% | 0.128 | S | C | . | . | trans | -71.1 | 137.8 | 175.7 | 33 | -38.8 | 0 | 0 | 0 | 110.7 | F224 M331 E332 | F224-P229 WeakPolarHBondContact CE1-O 3.29Å; P229-M331 HydrophobicContact CB-CB 3.96Å; P229-E332 HydrophobicContact CB-CG 4.11Å; P229-E332 HydrophobicContact CG-CG 3.65Å | ||
| 230 | L | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | trans | -122.6 | 115.2 | 170.9 | 177.1 | 62.7 | 0 | 0 | 0 | 108.6 | F80 L182 L219 A221 F224 V225 L232 V240 | F80-L230 CarbonylContact C-O 3.47Å; F80-L230 WeakPolarHBondContact CA-O 3.4Å; F80-L230 HydrophobicContact CD1-CB 3.98Å; F80-L230 HydrophobicContact CD1-CD2 4.11Å; F80-L230 HydrophobicContact CD1-CG 4.27Å; F80-L230 HydrophobicContact CE1-CB 4.26Å; F80-L230 HydrophobicContact CE1-CD2 4.24Å; L182-L230 HydrophobicContact CD1-CD1 3.76Å; L219-L230 HydrophobicContact CD2-CD1 4.19Å; L219-L230 HydrophobicContact CD2-CD2 4.3Å; A221-L230 HydrophobicContact CB-CD2 4.17Å; F224-L230 HydrophobicContact CD1-CB 4.38Å; F224-L230 HydrophobicContact CE1-CB 4Å; F224-L230 HydrophobicContact CE1-CD1 4.37Å; V225-L230 HydrophobicContact CG1-CB 3.98Å; V225-L230 HydrophobicContact CG1-CD2 3.97Å; L230-L232 HydrophobicContact CD1-CD2 4.24Å; L230-L232 HydrophobicContact CD2-CD2 3.99Å; L230-L232 HydrophobicContact CG-CD2 3.93Å; L230-L232 HydrophobicContact CG-CG 4.34Å; L230-V240 HydrophobicContact CD2-CG1 3.89Å | ||
| 231 | D | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 26.9 Ų | 26.9 | 29% | 0.289 | 13% | 0.126 | S | C | . | . | trans | -102.9 | 106.4 | 178.7 | 180 | -8.5 | 0 | 0 | 0 | 109.5 | N81 Q233 K234 Y235 | N81-D231 VanDerWaalsContact ND2-CG 3.3Å; N81-D231 PolarHBondContact ND2-OD1 3Å; N81-D231 PolarHBondContact ND2-OD2 3.24Å; D231-Q233 VanDerWaalsContact C-N 3.34Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.18Å; D231-Q233 PolarHBondContact OD1-N 3.24Å; D231-K234 HydrophobicContact CB-CB 4.11Å; D231-K234 PolarHBondContact O-N 3.04Å; D231-K234 PolarHBondContact OD1-N 2.89Å; D231-Y235 PolarHBondContact O-N 3.4Å | ||
| 232 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.3 | -177.5 | -65.9 | -178 | 0 | 0 | 0 | 114.1 | F80 T82 Y87 L230 Y235 R236 P237 V240 L258 | F80-L232 HydrophobicContact CB-CD1 3.73Å; F80-L232 HydrophobicContact CB-CG 4.02Å; F80-L232 HydrophobicContact CG-CD1 4.31Å; F80-L232 WeakPolarHBondContact O-CB 3.39Å; F80-L232 PolarHBondContact O-N 2.52Å; T82-L232 HydrophobicContact CG2-CB 4.19Å; T82-L232 HydrophobicContact CG2-CD1 3.96Å; Y87-L232 HydrophobicContact CD1-CD1 4.43Å; Y87-L232 HydrophobicContact CE1-CD1 4.28Å; Y87-L232 HydrophobicContact CE2-CB 4.11Å; Y87-L232 HydrophobicContact CE2-CD1 4.44Å; L230-L232 HydrophobicContact CD1-CD2 4.24Å; L230-L232 HydrophobicContact CD2-CD2 3.99Å; L230-L232 HydrophobicContact CG-CD2 3.93Å; L230-L232 HydrophobicContact CG-CG 4.34Å; L232-Y235 VanDerWaalsContact CA-O 3.3Å; L232-Y235 WeakPolarHBondContact CA-O 3.45Å; L232-R236 WeakPolarHBondContact O-CG 3.25Å; L232-P237 HydrophobicContact CD2-CG 3.97Å; L232-V240 HydrophobicContact CD1-CG2 4.37Å; L232-V240 HydrophobicContact CD2-CG2 3.93Å; L232-L258 HydrophobicContact CD1-CD2 3.6Å |
| 233 | Q | 97 | Very high | 98.3 | Very high | 90 Ų | 90 | 27 Ų | 27 | 42% | 0.421 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -37.7 | 165.1 | -84.1 | 169.1 | 37.1 | 0 | 0 | 110.9 | N81 D231 R236 | N81-Q233 WeakPolarHBondContact O-CG 3.27Å; N81-Q233 PolarHBondContact O-N 3.06Å; N81-Q233 PolarHBondContact O-NE2 2.78Å; N81-Q233 VanDerWaalsContact O-NE2 3.17Å; N81-Q233 PolarHBondContact OD1-NE2 3.49Å; D231-Q233 VanDerWaalsContact C-N 3.34Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.18Å; D231-Q233 PolarHBondContact OD1-N 3.24Å; Q233-R236 PolarHBondContact O-NE 2.65Å |
| 234 | K | 97.6 | Very high | 98.3 | Very high | 128 Ų | 128 | 26.7 Ų | 26.7 | 56% | 0.557 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -49.9 | 179.2 | -173.3 | -179.5 | -179 | -165.9 | 0 | 112.9 | D231 | D231-K234 HydrophobicContact CB-CB 4.11Å; D231-K234 PolarHBondContact O-N 3.04Å; D231-K234 PolarHBondContact OD1-N 2.89Å |
| 235 | Y | 98.2 | Very high | 98.3 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 17% | 0.165 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -113.7 | 120.5 | -179.5 | -48.7 | -68.2 | 0 | 0 | 0 | 109.1 | L182 E183 D231 L232 P237 | L182-Y235 HydrophobicContact CB-CD1 3.56Å; L182-Y235 HydrophobicContact CB-CD2 3.89Å; L182-Y235 HydrophobicContact CB-CE1 3.77Å; L182-Y235 HydrophobicContact CB-CE2 4.05Å; L182-Y235 HydrophobicContact CB-CG 3.62Å; L182-Y235 HydrophobicContact CD1-CD2 3.69Å; L182-Y235 HydrophobicContact CD1-CE2 3.92Å; L182-Y235 HydrophobicContact CD1-CG 4.18Å; L182-Y235 HydrophobicContact CG-CD2 4.46Å; E183-Y235 HydrophobicContact CG-CE1 4.22Å; E183-Y235 PolarHBondContact OE1-OH 2.89Å; D231-Y235 PolarHBondContact O-N 3.4Å; L232-Y235 VanDerWaalsContact CA-O 3.3Å; L232-Y235 WeakPolarHBondContact CA-O 3.45Å; Y235-P237 WeakPolarHBondContact O-CD 3.23Å |
| 236 | R | 98.1 | Very high | 98.3 | Very high | 143 Ų | 143 | 29.6 Ų | 29.6 | 54% | 0.54 | 14% | 0.136 | S | C | . | . | trans | -113.7 | 63.9 | -167.4 | -64.2 | 178.9 | 179.6 | -151.1 | -3.7 | 113.8 | Y87 Q189 L232 Q233 | Y87-R236 WeakPolarHBondContact OH-CA 3.37Å; Q189-R236 PolarHBondContact NE2-O 3.28Å; Q189-R236 PolarHBondContact OE1-O 2.99Å; L232-R236 WeakPolarHBondContact O-CG 3.25Å; Q233-R236 PolarHBondContact O-NE 2.65Å | ||
| 237 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -65.3 | 148 | 174.2 | 31 | -35.9 | 0 | 0 | 0 | 110.8 | Y87 I185 I217 L219 L232 Y235 Y239 V240 | Y87-P237 WeakPolarHBondContact CE1-O 3.08Å; Y87-P237 PolarHBondContact OH-O 2.76Å; I185-P237 HydrophobicContact CD1-CB 4.18Å; I185-P237 HydrophobicContact CD1-CG 4.4Å; I185-P237 HydrophobicContact CG2-CB 4.3Å; I217-P237 HydrophobicContact CB-CB 4.29Å; I217-P237 HydrophobicContact CG2-CB 4.02Å; L219-P237 HydrophobicContact CB-CB 3.85Å; L219-P237 HydrophobicContact CB-CG 4.1Å; L219-P237 HydrophobicContact CD2-CG 4.07Å; L232-P237 HydrophobicContact CD2-CG 3.97Å; Y235-P237 WeakPolarHBondContact O-CD 3.23Å; P237-Y239 VanDerWaalsContact C-N 3.28Å; P237-Y239 PolarHBondContact O-N 3.1Å; P237-V240 HydrophobicContact CB-CG2 4.33Å; P237-V240 HydrophobicContact CG-CG2 3.42Å; P237-V240 VanDerWaalsContact CG-CG2 3.42Å | ||
| 238 | D | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -70 | -30.8 | -177.3 | -58.4 | -83.7 | 0 | 0 | 0 | 112.6 | Q189 Y216 I217 S260 R262 | Q189-D238 PolarHBondContact NE2-OD2 3.46Å; Y216-D238 VanDerWaalsContact CA-OD2 3.25Å; Y216-D238 WeakPolarHBondContact CA-OD2 3.48Å; Y216-D238 HydrophobicContact CD1-CB 4.03Å; I217-D238 PolarHBondContact N-OD2 3.22Å; I217-D238 PolarHBondContact O-N 3.34Å; D238-S260 VanDerWaalsContact CA-OG 3.32Å; D238-S260 WeakPolarHBondContact CA-OG 3.39Å; D238-S260 PolarHBondContact O-N 3.27Å; D238-S260 PolarHBondContact O-OG 2.88Å; D238-R262 WeakPolarHBondContact OD1-CD 3.3Å; D238-R262 WeakPolarHBondContact OD1-CG 3.48Å; D238-R262 IonicContact OD1-CZ 3.52Å; D238-R262 IonicContact OD1-NE 3.19Å; D238-R262 IonicContact OD1-NH1 3.7Å; D238-R262 PolarHBondContact OD1-NH1 2.82Å; D238-R262 IonicContact OD2-NH1 2.62Å; D238-R262 PolarHBondContact OD2-NH1 3.3Å |
| 239 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.4 | 179.9 | -48.2 | -72.2 | 0 | 0 | 0 | 110.9 | V102 F106 L166 I217 C218 L219 P237 L258 V259 G263 F267 | V102-Y239 HydrophobicContact CG1-CD2 4.02Å; V102-Y239 HydrophobicContact CG1-CE2 4.27Å; V102-Y239 HydrophobicContact CG1-CG 4.25Å; V102-Y239 HydrophobicContact CG2-CD1 4.15Å; V102-Y239 HydrophobicContact CG2-CG 3.99Å; F106-Y239 AromaticContact CD2-CE2 3.77Å; F106-Y239 HydrophobicContact CD2-CE2 3.77Å; F106-Y239 AromaticContact CD2-CZ 3.93Å; F106-Y239 WeakPolarHBondContact CD2-OH 3.35Å; F106-Y239 AromaticContact CE2-CE2 3.92Å; F106-Y239 HydrophobicContact CE2-CE2 3.92Å; L166-Y239 HydrophobicContact CD1-CD2 4Å; L166-Y239 HydrophobicContact CD1-CE2 3.92Å; I217-Y239 PolarHBondContact O-N 2.96Å; C218-Y239 HydrophobicContact CB-CD2 4.18Å; L219-Y239 PolarHBondContact N-O 3.02Å; P237-Y239 VanDerWaalsContact C-N 3.28Å; P237-Y239 PolarHBondContact O-N 3.1Å; Y239-L258 CarbonylContact C-O 3.03Å; Y239-L258 VanDerWaalsContact CA-O 3.31Å; Y239-L258 WeakPolarHBondContact CA-O 3.4Å; Y239-V259 HydrophobicContact CD1-CB 4.37Å; Y239-V259 HydrophobicContact CD1-CG1 3.84Å; Y239-V259 HydrophobicContact CD1-CG2 4.14Å; Y239-V259 HydrophobicContact CE1-CG1 3.66Å; Y239-G263 WeakPolarHBondContact OH-CA 3.02Å; Y239-G263 PolarHBondContact OH-O 2.9Å; Y239-F267 AromaticContact CD1-CE1 3.94Å; Y239-F267 HydrophobicContact CD1-CE1 3.94Å; Y239-F267 HydrophobicContact CD1-CZ 4.06Å; Y239-F267 AromaticContact CE1-CD1 3.81Å; Y239-F267 HydrophobicContact CE1-CD1 3.81Å; Y239-F267 AromaticContact CE1-CE1 3.12Å; Y239-F267 HydrophobicContact CE1-CE1 3.12Å; Y239-F267 AromaticContact CE1-CZ 3.63Å; Y239-F267 HydrophobicContact CE1-CZ 3.63Å; Y239-F267 HydrophobicContact CE2-CE1 4.46Å; Y239-F267 AromaticContact CZ-CD1 3.95Å; Y239-F267 AromaticContact CZ-CE1 3.45Å; Y239-F267 VanDerWaalsContact CZ-CE1 3.45Å; Y239-F267 WeakPolarHBondContact OH-CD1 3.29Å; Y239-F267 WeakPolarHBondContact OH-CE1 3.4Å |
| 240 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 116.9 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | L219 A221 L230 L232 P237 L257 L258 | L219-V240 WeakPolarHBondContact O-CA 3.09Å; A221-V240 HydrophobicContact CB-CG1 3.54Å; L230-V240 HydrophobicContact CD2-CG1 3.89Å; L232-V240 HydrophobicContact CD1-CG2 4.37Å; L232-V240 HydrophobicContact CD2-CG2 3.93Å; P237-V240 HydrophobicContact CB-CG2 4.33Å; P237-V240 HydrophobicContact CG-CG2 3.42Å; P237-V240 VanDerWaalsContact CG-CG2 3.42Å; V240-L257 CarbonylContact O-C 3.53Å; V240-L257 WeakPolarHBondContact O-CA 3.17Å; V240-L258 HydrophobicContact CB-CB 4.13Å; V240-L258 PolarHBondContact N-O 3.33Å; V240-L258 PolarHBondContact O-N 2.92Å |
| 241 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.3 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | A95 A98 L99 L219 D220 A221 A222 L257 | A95-C241 HydrophobicContact CB-CB 4.44Å; A98-C241 HydrophobicContact CB-CB 3.54Å; L99-C241 VanDerWaalsContact CD2-SG 3.57Å; L99-C241 HydrophobicContact CG-CB 4.26Å; L99-C241 VanDerWaalsContact CG-SG 3.55Å; L219-C241 PolarHBondContact O-N 2.71Å; L219-C241 VanDerWaalsContact O-N 3.12Å; D220-C241 VanDerWaalsContact CA-SG 3.51Å; A221-C241 PolarHBondContact N-O 2.8Å; A221-C241 VanDerWaalsContact N-O 3.14Å; A222-C241 PolarHBondContact N-O 2.97Å; C241-L257 HydrophobicContact CB-CD1 4.44Å |
| 242 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 166.8 | 178 | 64.3 | 139.7 | 0 | 0 | 0 | 113.5 | F80 A95 V225 F244 I247 G255 A256 L258 | F80-L242 HydrophobicContact CE2-CD1 4.01Å; F80-L242 HydrophobicContact CE2-CD2 4.04Å; F80-L242 HydrophobicContact CZ-CD1 3.8Å; F80-L242 HydrophobicContact CZ-CD2 4.11Å; A95-L242 PolarHBondContact N-O 2.96Å; V225-L242 HydrophobicContact CG2-CB 4.04Å; V225-L242 HydrophobicContact CG2-CD1 4.48Å; L242-F244 HydrophobicContact CD1-CD1 3.87Å; L242-F244 HydrophobicContact CD1-CE1 3.47Å; L242-F244 VanDerWaalsContact CD1-CE1 3.47Å; L242-F244 HydrophobicContact CD1-CE2 4.49Å; L242-F244 HydrophobicContact CD1-CZ 3.8Å; L242-I247 HydrophobicContact CD1-CD1 4.17Å; L242-G255 VanDerWaalsContact O-CA 3.25Å; L242-G255 WeakPolarHBondContact O-CA 3.45Å; L242-A256 HydrophobicContact CD2-CB 4.04Å; L242-A256 HydrophobicContact CG-CB 4.26Å; L242-A256 PolarHBondContact N-O 3.47Å; L242-A256 PolarHBondContact O-N 3.23Å; L242-A256 VanDerWaalsContact O-N 3.13Å; L242-L258 HydrophobicContact CD2-CD1 3.4Å |
| 243 | S | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.7 | 173 | -81 | 0 | 0 | 0 | 0 | 109.5 | N94 A95 Y245 K246 | N94-S243 WeakPolarHBondContact CA-OG 3.35Å; N94-S243 VanDerWaalsContact CB-OG 3.3Å; N94-S243 WeakPolarHBondContact CB-OG 3.45Å; A95-S243 PolarHBondContact N-OG 3.09Å; S243-Y245 VanDerWaalsContact C-N 3.31Å; S243-Y245 VanDerWaalsContact CB-CE1 3.45Å; S243-Y245 PolarHBondContact O-N 3.22Å; S243-K246 WeakPolarHBondContact O-CB 3.31Å; S243-K246 PolarHBondContact O-N 3.13Å; S243-K246 VanDerWaalsContact O-N 3.14Å |
| 244 | F | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -29.7 | -174.4 | -67.3 | -69.8 | 0 | 0 | 0 | 113.4 | I76 L242 K246 I247 F248 V254 A256 L311 F315 | I76-F244 HydrophobicContact CD1-CE1 4.14Å; I76-F244 HydrophobicContact CD1-CE2 4.13Å; I76-F244 HydrophobicContact CD1-CZ 3.43Å; I76-F244 VanDerWaalsContact CD1-CZ 3.43Å; I76-F244 HydrophobicContact CG1-CE1 3.9Å; I76-F244 HydrophobicContact CG1-CZ 3.68Å; I76-F244 HydrophobicContact CG2-CZ 4.46Å; L242-F244 HydrophobicContact CD1-CD1 3.87Å; L242-F244 HydrophobicContact CD1-CE1 3.47Å; L242-F244 VanDerWaalsContact CD1-CE1 3.47Å; L242-F244 HydrophobicContact CD1-CE2 4.49Å; L242-F244 HydrophobicContact CD1-CZ 3.8Å; F244-K246 PolarHBondContact O-N 2.84Å; F244-K246 VanDerWaalsContact O-N 3.11Å; F244-I247 HydrophobicContact CD1-CD1 4.34Å; F244-I247 WeakPolarHBondContact O-CA 3.44Å; F244-I247 WeakPolarHBondContact O-CB 3.04Å; F244-I247 PolarHBondContact O-N 3.36Å; F244-F248 HydrophobicContact CB-CD2 4.12Å; F244-F248 HydrophobicContact CB-CE2 4.35Å; F244-F248 AromaticContact CD1-CE2 3.92Å; F244-F248 HydrophobicContact CD1-CE2 3.92Å; F244-F248 PolarHBondContact O-N 2.82Å; F244-V254 HydrophobicContact CD2-CB 4.39Å; F244-V254 HydrophobicContact CD2-CG1 3.97Å; F244-V254 WeakPolarHBondContact CD2-O 3.49Å; F244-V254 HydrophobicContact CE2-CG1 4.32Å; F244-V254 PolarHBondContact N-O 2.86Å; F244-A256 HydrophobicContact CE2-CB 3.75Å; F244-A256 HydrophobicContact CZ-CB 3.73Å; F244-L311 HydrophobicContact CB-CD1 4.48Å; F244-L311 HydrophobicContact CB-CD2 3.4Å; F244-L311 HydrophobicContact CD1-CD1 4.37Å; F244-L311 HydrophobicContact CD1-CD2 4.27Å; F244-L311 HydrophobicContact CD2-CD1 3.54Å; F244-L311 HydrophobicContact CD2-CD2 4.04Å; F244-L311 HydrophobicContact CD2-CG 4.48Å; F244-L311 HydrophobicContact CE2-CD1 3.77Å; F244-L311 HydrophobicContact CG-CD1 3.88Å; F244-L311 HydrophobicContact CG-CD2 3.65Å; F244-L311 HydrophobicContact CG-CG 4.45Å; F244-L311 HydrophobicContact CZ-CD1 4.3Å; F244-F315 HydrophobicContact CE1-CZ 4.35Å |
| 245 | Y | 98 | Very high | 98 | Very high | 54 Ų | 54 | 23.5 Ų | 23.5 | 21% | 0.212 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -22 | 175.3 | 83.6 | -98.3 | 0 | 0 | 0 | 112.8 | G35 T36 S243 I247 G249 P251 T252 | G35-Y245 WeakPolarHBondContact O-CE2 3.42Å; G35-Y245 PolarHBondContact O-OH 2.8Å; T36-Y245 WeakPolarHBondContact OG1-CD2 3.46Å; T36-Y245 WeakPolarHBondContact OG1-CE2 3.29Å; S243-Y245 VanDerWaalsContact C-N 3.31Å; S243-Y245 VanDerWaalsContact CB-CE1 3.45Å; S243-Y245 PolarHBondContact O-N 3.22Å; Y245-I247 VanDerWaalsContact C-N 3.31Å; Y245-G249 WeakPolarHBondContact O-CA 3.45Å; Y245-G249 PolarHBondContact O-N 2.84Å; Y245-P251 WeakPolarHBondContact CB-O 3.33Å; Y245-T252 HydrophobicContact CG-CG2 4.26Å |
| 246 | K | 98 | Very high | 98 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -75.7 | -21.9 | 173.8 | -65 | -172.7 | 174.8 | -176.2 | 0 | 112.6 | T37 A222 A226 S243 F244 | T37-K246 WeakPolarHBondContact CG2-O 3.42Å; A222-K246 HydrophobicContact CB-CD 4.26Å; A222-K246 WeakPolarHBondContact O-CD 3.48Å; A226-K246 HydrophobicContact CB-CB 4.16Å; A226-K246 WeakPolarHBondContact CB-O 2.95Å; S243-K246 WeakPolarHBondContact O-CB 3.31Å; S243-K246 PolarHBondContact O-N 3.13Å; S243-K246 VanDerWaalsContact O-N 3.14Å; F244-K246 PolarHBondContact O-N 2.84Å; F244-K246 VanDerWaalsContact O-N 3.11Å |
| 247 | I | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -92.3 | -43.5 | 178.2 | -47.3 | 179.1 | 0 | 0 | 0 | 110.5 | T37 F79 V225 L242 F244 Y245 L318 | T37-I247 WeakPolarHBondContact CG2-O 3.37Å; F79-I247 HydrophobicContact CE1-CD1 4.26Å; F79-I247 HydrophobicContact CZ-CG2 4.32Å; V225-I247 HydrophobicContact CB-CD1 4.39Å; V225-I247 HydrophobicContact CG2-CD1 3.82Å; V225-I247 HydrophobicContact CG2-CG1 4.2Å; L242-I247 HydrophobicContact CD1-CD1 4.17Å; F244-I247 HydrophobicContact CD1-CD1 4.34Å; F244-I247 WeakPolarHBondContact O-CA 3.44Å; F244-I247 WeakPolarHBondContact O-CB 3.04Å; F244-I247 PolarHBondContact O-N 3.36Å; Y245-I247 VanDerWaalsContact C-N 3.31Å; I247-L318 HydrophobicContact CG2-CD2 4.18Å |
| 248 | F | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -117 | -10.3 | -169.8 | -49.3 | -54.4 | 0 | 0 | 0 | 114.8 | Y39 Q43 F244 Y250 L311 F315 L318 | Y39-F248 WeakPolarHBondContact CA-O 3.45Å; Q43-F248 PolarHBondContact OE1-O 3.04Å; Q43-F248 VanDerWaalsContact OE1-O 3.12Å; F244-F248 HydrophobicContact CB-CD2 4.12Å; F244-F248 HydrophobicContact CB-CE2 4.35Å; F244-F248 AromaticContact CD1-CE2 3.92Å; F244-F248 HydrophobicContact CD1-CE2 3.92Å; F244-F248 PolarHBondContact O-N 2.82Å; F248-Y250 WeakPolarHBondContact CB-O 3.35Å; F248-Y250 PolarHBondContact O-N 2.95Å; F248-L311 HydrophobicContact CD2-CD2 4.07Å; F248-L311 HydrophobicContact CE2-CD2 4.32Å; F248-F315 HydrophobicContact CE1-CD1 4.33Å; F248-F315 HydrophobicContact CE2-CD1 4.48Å; F248-F315 HydrophobicContact CE2-CD2 4.46Å; F248-F315 HydrophobicContact CE2-CE1 4.26Å; F248-F315 HydrophobicContact CE2-CE2 4.24Å; F248-F315 HydrophobicContact CE2-CZ 4.13Å; F248-F315 AromaticContact CZ-CD1 3.62Å; F248-F315 HydrophobicContact CZ-CD1 3.62Å; F248-F315 HydrophobicContact CZ-CD2 4.28Å; F248-F315 AromaticContact CZ-CE1 3.62Å; F248-F315 HydrophobicContact CZ-CE1 3.62Å; F248-F315 HydrophobicContact CZ-CE2 4.28Å; F248-F315 AromaticContact CZ-CG 3.95Å; F248-F315 HydrophobicContact CZ-CG 3.95Å; F248-F315 AromaticContact CZ-CZ 3.96Å; F248-F315 HydrophobicContact CZ-CZ 3.96Å; F248-L318 HydrophobicContact CD1-CB 4.38Å; F248-L318 HydrophobicContact CD1-CD2 4.43Å; F248-L318 HydrophobicContact CE1-CB 4.13Å; F248-L318 HydrophobicContact CE1-CD2 3.83Å |
| 249 | G | 97.4 | Very high | 98 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 7% | 0.072 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 72.9 | -23.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T37 Y245 | T37-G249 WeakPolarHBondContact O-CA 2.81Å; Y245-G249 WeakPolarHBondContact O-CA 3.45Å; Y245-G249 PolarHBondContact O-N 2.84Å |
| 250 | Y | 97.6 | Very high | 98 | Very high | 68 Ų | 68 | 15.1 Ų | 15.1 | 27% | 0.267 | 9% | 0.088 | S | C | . | . | trans | -142.8 | 145.1 | 177 | 173.6 | -90.6 | 0 | 0 | 0 | 110.8 | Q43 V44 A47 F248 | Q43-Y250 PolarHBondContact NE2-O 3Å; V44-Y250 HydrophobicContact CG2-CG 4.33Å; A47-Y250 HydrophobicContact CB-CE1 3.96Å; F248-Y250 WeakPolarHBondContact CB-O 3.35Å; F248-Y250 PolarHBondContact O-N 2.95Å | ||
| 251 | P | 96.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | cis | -80.8 | 158.5 | -12.4 | 29.6 | -25 | 0 | 0 | 0 | 111.8 | Y245 V254 S307 L311 | Y245-P251 WeakPolarHBondContact CB-O 3.33Å; P251-V254 HydrophobicContact CG-CG2 4.24Å; P251-S307 WeakPolarHBondContact CG-O 3.35Å; P251-L311 HydrophobicContact CG-CD2 4.44Å | ||
| 252 | T | 96 | Very high | 97.7 | Very high | 98 Ų | 98 | 24.6 Ų | 24.6 | 60% | 0.601 | 12% | 0.124 | S | C | * | . | S | Bend | trans | -78.3 | 164.6 | 162.8 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | Y245 V254 | Y245-T252 HydrophobicContact CG-CG2 4.26Å; T252-V254 VanDerWaalsContact C-N 3.31Å; T252-V254 PolarHBondContact O-N 2.84Å |
| 253 | G | 96.5 | Very high | 97.7 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 45% | 0.454 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 78.6 | 8.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A93 | A93-G253 CarbonylContact O-C 3.58Å; A93-G253 WeakPolarHBondContact O-CA 3.3Å |
| 254 | V | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -126.8 | 125.6 | 171.1 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | F91 A93 F244 P251 T252 P304 S307 I308 L311 | F91-V254 HydrophobicContact CD1-CG1 4.2Å; A93-V254 PolarHBondContact O-N 2.98Å; F244-V254 HydrophobicContact CD2-CB 4.39Å; F244-V254 HydrophobicContact CD2-CG1 3.97Å; F244-V254 WeakPolarHBondContact CD2-O 3.49Å; F244-V254 HydrophobicContact CE2-CG1 4.32Å; F244-V254 PolarHBondContact N-O 2.86Å; P251-V254 HydrophobicContact CG-CG2 4.24Å; T252-V254 VanDerWaalsContact C-N 3.31Å; T252-V254 PolarHBondContact O-N 2.84Å; V254-P304 HydrophobicContact CG2-CG 4.25Å; V254-S307 VanDerWaalsContact CG2-CB 3.42Å; V254-I308 HydrophobicContact CG1-CG1 3.92Å; V254-L311 HydrophobicContact CG1-CD1 3.86Å | ||
| 255 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -175.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T92 L242 | T92-G255 PolarHBondContact N-O 3.37Å; T92-G255 CarbonylContact O-C 3.51Å; T92-G255 PolarHBondContact O-N 3.13Å; L242-G255 VanDerWaalsContact O-CA 3.25Å; L242-G255 WeakPolarHBondContact O-CA 3.45Å |
| 256 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V89 I90 T92 L242 F244 L258 | V89-A256 HydrophobicContact CG1-CB 4.23Å; I90-A256 CarbonylContact O-C 3.51Å; I90-A256 VanDerWaalsContact O-CA 3.32Å; I90-A256 WeakPolarHBondContact O-CA 3.47Å; T92-A256 PolarHBondContact OG1-N 3.49Å; L242-A256 HydrophobicContact CD2-CB 4.04Å; L242-A256 HydrophobicContact CG-CB 4.26Å; L242-A256 PolarHBondContact N-O 3.47Å; L242-A256 PolarHBondContact O-N 3.23Å; L242-A256 VanDerWaalsContact O-N 3.13Å; F244-A256 HydrophobicContact CE2-CB 3.75Å; F244-A256 HydrophobicContact CZ-CB 3.73Å; A256-L258 HydrophobicContact CB-CD1 4.29Å |
| 257 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.2 | 160.3 | -179.9 | 65.6 | 0 | 0 | 0 | 107.4 | I90 T92 A98 L101 V102 V240 C241 V259 F267 | I90-L257 HydrophobicContact CB-CB 4.33Å; I90-L257 HydrophobicContact CD1-CD2 4.38Å; I90-L257 PolarHBondContact N-O 3.06Å; I90-L257 PolarHBondContact O-N 3Å; T92-L257 HydrophobicContact CG2-CB 4.42Å; A98-L257 HydrophobicContact CB-CB 3.78Å; A98-L257 HydrophobicContact CB-CD1 4.2Å; L101-L257 HydrophobicContact CB-CD2 4.44Å; L101-L257 HydrophobicContact CD2-CD2 3.84Å; L101-L257 HydrophobicContact CG-CD2 4.34Å; V102-L257 HydrophobicContact CG2-CD1 3.68Å; V102-L257 HydrophobicContact CG2-CD2 3.7Å; V102-L257 HydrophobicContact CG2-CG 4.36Å; V240-L257 CarbonylContact O-C 3.53Å; V240-L257 WeakPolarHBondContact O-CA 3.17Å; C241-L257 HydrophobicContact CB-CD1 4.44Å; L257-V259 HydrophobicContact CD2-CG2 3.7Å; L257-V259 HydrophobicContact CG-CG2 3.66Å; L257-F267 HydrophobicContact CD2-CZ 4.27Å |
| 258 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.3 | 165.7 | -67.5 | 77.3 | 0 | 0 | 0 | 108 | I76 F80 Y87 H88 V89 L232 Y239 V240 L242 A256 | I76-L258 HydrophobicContact CG2-CD1 4.24Å; I76-L258 HydrophobicContact CG2-CD2 4.44Å; F80-L258 HydrophobicContact CB-CD2 4.36Å; F80-L258 HydrophobicContact CD2-CD1 4.19Å; F80-L258 HydrophobicContact CD2-CD2 3.69Å; F80-L258 HydrophobicContact CE2-CD1 4.09Å; F80-L258 HydrophobicContact CE2-CD2 4.41Å; F80-L258 HydrophobicContact CG-CD2 4.26Å; Y87-L258 HydrophobicContact CD1-CB 3.97Å; H88-L258 CarbonylContact O-C 3.56Å; H88-L258 VanDerWaalsContact O-CA 3.25Å; H88-L258 WeakPolarHBondContact O-CA 3.11Å; V89-L258 HydrophobicContact CG2-CG 4.39Å; L232-L258 HydrophobicContact CD1-CD2 3.6Å; Y239-L258 CarbonylContact C-O 3.03Å; Y239-L258 VanDerWaalsContact CA-O 3.31Å; Y239-L258 WeakPolarHBondContact CA-O 3.4Å; V240-L258 HydrophobicContact CB-CB 4.13Å; V240-L258 PolarHBondContact N-O 3.33Å; V240-L258 PolarHBondContact O-N 2.92Å; L242-L258 HydrophobicContact CD2-CD1 3.4Å; A256-L258 HydrophobicContact CB-CD1 4.29Å |
| 259 | V | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | Y87 H88 I90 Y239 L257 A264 F294 | Y87-V259 CarbonylContact C-O 3.59Å; Y87-V259 WeakPolarHBondContact CA-O 3.47Å; H88-V259 PolarHBondContact N-O 3.37Å; H88-V259 PolarHBondContact O-N 2.96Å; I90-V259 HydrophobicContact CD1-CG2 3.9Å; Y239-V259 HydrophobicContact CD1-CB 4.37Å; Y239-V259 HydrophobicContact CD1-CG1 3.84Å; Y239-V259 HydrophobicContact CD1-CG2 4.14Å; Y239-V259 HydrophobicContact CE1-CG1 3.66Å; L257-V259 HydrophobicContact CD2-CG2 3.7Å; L257-V259 HydrophobicContact CG-CG2 3.66Å; V259-A264 HydrophobicContact CG1-CB 4.02Å; V259-F294 HydrophobicContact CB-CE1 3.85Å; V259-F294 HydrophobicContact CB-CZ 4.46Å; V259-F294 HydrophobicContact CG1-CE1 3.8Å; V259-F294 HydrophobicContact CG1-CZ 3.92Å; V259-F294 HydrophobicContact CG2-CE1 4.03Å |
| 260 | S | 98.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 160.7 | 174.5 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | D86 Y87 D238 R262 G263 A264 | D86-S260 CarbonylContact O-C 3.51Å; D86-S260 WeakPolarHBondContact O-CA 2.94Å; Y87-S260 VanDerWaalsContact CD1-N 3.3Å; D238-S260 VanDerWaalsContact CA-OG 3.32Å; D238-S260 WeakPolarHBondContact CA-OG 3.39Å; D238-S260 PolarHBondContact O-N 3.27Å; D238-S260 PolarHBondContact O-OG 2.88Å; S260-R262 VanDerWaalsContact C-N 3.3Å; S260-R262 PolarHBondContact O-N 2.98Å; S260-G263 PolarHBondContact O-N 3.12Å; S260-G263 VanDerWaalsContact O-N 3.16Å; S260-G263 PolarHBondContact OG-N 3.01Å; S260-A264 WeakPolarHBondContact O-CB 3.32Å; S260-A264 PolarHBondContact O-N 2.91Å |
| 261 | R | 96.2 | Very high | 93 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.2 | -46.4 | 171.8 | -71.1 | -66.2 | -177.1 | 153.4 | -1.8 | 112.8 | A84 E85 D86 G263 A264 E265 | A84-R261 PolarHBondContact O-NH2 3.44Å; E85-R261 WeakPolarHBondContact O-CG 3.37Å; E85-R261 PolarHBondContact O-NE 3.31Å; D86-R261 PolarHBondContact O-N 3.45Å; R261-G263 VanDerWaalsContact C-N 3.34Å; R261-G263 PolarHBondContact O-N 2.9Å; R261-A264 WeakPolarHBondContact O-CB 3.49Å; R261-A264 PolarHBondContact O-N 3.23Å; R261-A264 VanDerWaalsContact O-N 3.14Å; R261-E265 PolarHBondContact O-N 3.23Å |
| 262 | R | 95.6 | Very high | 92.4 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.5 | -45.6 | 175.7 | 176.5 | 176.1 | 178.5 | -107.5 | 4 | 111.7 | Y215 Y216 D238 S260 A264 E265 | Y215-R262 PolarHBondContact O-NH1 2.68Å; Y215-R262 VanDerWaalsContact O-NH1 3.09Å; Y215-R262 PolarHBondContact O-NH2 2.8Å; Y216-R262 HydrophobicContact CD1-CG 4.4Å; Y216-R262 HydrophobicContact CE1-CG 3.68Å; D238-R262 WeakPolarHBondContact OD1-CD 3.3Å; D238-R262 WeakPolarHBondContact OD1-CG 3.48Å; D238-R262 IonicContact OD1-CZ 3.52Å; D238-R262 IonicContact OD1-NE 3.19Å; D238-R262 IonicContact OD1-NH1 3.7Å; D238-R262 PolarHBondContact OD1-NH1 2.82Å; D238-R262 IonicContact OD2-NH1 2.62Å; D238-R262 PolarHBondContact OD2-NH1 3.3Å; S260-R262 VanDerWaalsContact C-N 3.3Å; S260-R262 PolarHBondContact O-N 2.98Å; R262-A264 VanDerWaalsContact C-N 3.33Å; R262-A264 PolarHBondContact O-N 3.18Å; R262-E265 PolarHBondContact O-N 2.84Å |
| 263 | G | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -32.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y239 S260 R261 E265 V266 | Y239-G263 WeakPolarHBondContact OH-CA 3.02Å; Y239-G263 PolarHBondContact OH-O 2.9Å; S260-G263 PolarHBondContact O-N 3.12Å; S260-G263 VanDerWaalsContact O-N 3.16Å; S260-G263 PolarHBondContact OG-N 3.01Å; R261-G263 VanDerWaalsContact C-N 3.34Å; R261-G263 PolarHBondContact O-N 2.9Å; G263-E265 VanDerWaalsContact C-N 3.34Å; G263-V266 PolarHBondContact O-N 3.49Å |
| 264 | A | 95.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -30.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V259 S260 R261 R262 V266 F267 F294 | V259-A264 HydrophobicContact CG1-CB 4.02Å; S260-A264 WeakPolarHBondContact O-CB 3.32Å; S260-A264 PolarHBondContact O-N 2.91Å; R261-A264 WeakPolarHBondContact O-CB 3.49Å; R261-A264 PolarHBondContact O-N 3.23Å; R261-A264 VanDerWaalsContact O-N 3.14Å; R262-A264 VanDerWaalsContact C-N 3.33Å; R262-A264 PolarHBondContact O-N 3.18Å; A264-V266 VanDerWaalsContact C-N 3.27Å; A264-V266 PolarHBondContact O-N 2.92Å; A264-F267 PolarHBondContact O-N 2.9Å; A264-F294 HydrophobicContact CB-CD1 4.34Å; A264-F294 HydrophobicContact CB-CD2 3.85Å; A264-F294 HydrophobicContact CB-CE1 4.04Å; A264-F294 HydrophobicContact CB-CE2 3.52Å; A264-F294 HydrophobicContact CB-CG 4.24Å; A264-F294 HydrophobicContact CB-CZ 3.62Å |
| 265 | E | 93.6 | Very high | 90.5 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 74% | 0.738 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68 | -26.3 | 178.2 | -70.4 | 170.2 | -176.3 | 0 | 0 | 113 | R261 R262 G263 | R261-E265 PolarHBondContact O-N 3.23Å; R262-E265 PolarHBondContact O-N 2.84Å; G263-E265 VanDerWaalsContact C-N 3.34Å |
| 266 | V | 93.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4 | -178.5 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | F106 D107 N164 Y216 G263 A264 Q268 | F106-V266 HydrophobicContact CD2-CG1 4.02Å; F106-V266 HydrophobicContact CE1-CG1 4.46Å; F106-V266 HydrophobicContact CE2-CB 4.46Å; F106-V266 HydrophobicContact CE2-CG1 3.62Å; F106-V266 HydrophobicContact CZ-CG1 3.88Å; D107-V266 HydrophobicContact CB-CG1 4.18Å; D107-V266 WeakPolarHBondContact CB-O 3.41Å; D107-V266 PolarHBondContact N-O 3.44Å; N164-V266 HydrophobicContact CB-CG1 4.05Å; N164-V266 WeakPolarHBondContact ND2-CG1 3.44Å; Y216-V266 HydrophobicContact CD1-CG2 4.4Å; Y216-V266 HydrophobicContact CE1-CB 4.07Å; Y216-V266 HydrophobicContact CE1-CG2 3.47Å; Y216-V266 VanDerWaalsContact CE1-CG2 3.47Å; Y216-V266 HydrophobicContact CE2-CG2 4.02Å; Y216-V266 WeakPolarHBondContact OH-CG2 3.24Å; G263-V266 PolarHBondContact O-N 3.49Å; A264-V266 VanDerWaalsContact C-N 3.27Å; A264-V266 PolarHBondContact O-N 2.92Å; V266-Q268 PolarHBondContact O-N 2.6Å |
| 267 | F | 91.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 123.2 | 169.9 | -89.4 | 20.5 | 0 | 0 | 0 | 110.3 | V102 N105 Y239 L257 A264 F294 Y298 | V102-F267 HydrophobicContact CG2-CZ 4.27Å; N105-F267 HydrophobicContact CB-CD1 4.44Å; N105-F267 HydrophobicContact CB-CD2 4.05Å; N105-F267 HydrophobicContact CB-CE2 4.24Å; N105-F267 HydrophobicContact CB-CG 4.16Å; N105-F267 HydrophobicContact CB-CZ 4.49Å; N105-F267 CarbonylContact O-C 3.54Å; N105-F267 WeakPolarHBondContact O-CA 3.35Å; Y239-F267 AromaticContact CD1-CE1 3.94Å; Y239-F267 HydrophobicContact CD1-CE1 3.94Å; Y239-F267 HydrophobicContact CD1-CZ 4.06Å; Y239-F267 AromaticContact CE1-CD1 3.81Å; Y239-F267 HydrophobicContact CE1-CD1 3.81Å; Y239-F267 AromaticContact CE1-CE1 3.12Å; Y239-F267 HydrophobicContact CE1-CE1 3.12Å; Y239-F267 AromaticContact CE1-CZ 3.63Å; Y239-F267 HydrophobicContact CE1-CZ 3.63Å; Y239-F267 HydrophobicContact CE2-CE1 4.46Å; Y239-F267 AromaticContact CZ-CD1 3.95Å; Y239-F267 AromaticContact CZ-CE1 3.45Å; Y239-F267 VanDerWaalsContact CZ-CE1 3.45Å; Y239-F267 WeakPolarHBondContact OH-CD1 3.29Å; Y239-F267 WeakPolarHBondContact OH-CE1 3.4Å; L257-F267 HydrophobicContact CD2-CZ 4.27Å; A264-F267 PolarHBondContact O-N 2.9Å; F267-F294 HydrophobicContact CB-CE2 4.27Å; F267-F294 HydrophobicContact CB-CZ 4.41Å; F267-F294 HydrophobicContact CD2-CE2 4.15Å; F267-F294 AromaticContact CD2-CZ 3.55Å; F267-F294 HydrophobicContact CD2-CZ 3.55Å; F267-F294 HydrophobicContact CE2-CZ 4.1Å; F267-F294 HydrophobicContact CG-CZ 4.15Å; F267-Y298 AromaticContact CD2-CE1 3.96Å; F267-Y298 HydrophobicContact CD2-CE1 3.96Å; F267-Y298 HydrophobicContact CD2-CE2 4.06Å; F267-Y298 AromaticContact CD2-CZ 3.6Å; F267-Y298 HydrophobicContact CE2-CE1 4.43Å |
| 268 | Q | 82.3 | Confident | 88.6 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | trans | -56.8 | 158.3 | 174.6 | -69 | -170.2 | -4.7 | 0 | 0 | 111.1 | N105 D107 V266 R270 | N105-Q268 PolarHBondContact O-N 3.4Å; D107-Q268 HydrophobicContact CB-CG 3.4Å; D107-Q268 PolarHBondContact OD1-NE2 3.15Å; V266-Q268 PolarHBondContact O-N 2.6Å; Q268-R270 PolarHBondContact O-N 3.44Å | ||
| 269 | K | 74.6 | Confident | 88 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | trans | -55.1 | 115.6 | 165.5 | -172.3 | -178.3 | -176.6 | -170.9 | 0 | 108.6 | R271 Y288 | K269-R271 PolarHBondContact O-N 2.9Å; K269-Y288 WeakPolarHBondContact CE-OH 3.29Å; K269-Y288 PolarHBondContact NZ-OH 3.44Å | ||
| 270 | R | 77.1 | Confident | 87.6 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -54.3 | 129.6 | -179.6 | -159.1 | 179.1 | -173.3 | -139.9 | -10.3 | 110.7 | Q268 F272 R297 Y298 D300 | Q268-R270 PolarHBondContact O-N 3.44Å; R270-F272 VanDerWaalsContact CD-O 3.26Å; R270-F272 WeakPolarHBondContact CD-O 3.43Å; R270-F272 VanDerWaalsContact CG-O 3.3Å; R270-F272 WeakPolarHBondContact CG-O 3.41Å; R270-R297 WeakPolarHBondContact CD-O 3.5Å; R270-R297 PolarHBondContact NE-O 3.32Å; R270-R297 PolarHBondContact NH1-O 2.97Å; R270-Y298 HydrophobicContact CB-CE1 4.3Å; R270-Y298 HydrophobicContact CG-CD1 4.39Å; R270-Y298 HydrophobicContact CG-CE1 4.07Å; R270-D300 IonicContact CZ-OD1 3.46Å; R270-D300 IonicContact CZ-OD2 2.74Å; R270-D300 VanDerWaalsContact NH1-CG 3.3Å; R270-D300 IonicContact NH1-OD1 2.59Å; R270-D300 PolarHBondContact NH1-OD1 3.44Å; R270-D300 IonicContact NH1-OD2 2.77Å; R270-D300 PolarHBondContact NH1-OD2 3.43Å; R270-D300 IonicContact NH2-OD1 3.5Å; R270-D300 IonicContact NH2-OD2 3.93Å; R270-D300 PolarHBondContact NH2-OD2 3.29Å | ||
| 271 | R | 78 | Confident | 87.1 | Confident | 184 Ų | 184 | 64.3 Ų | 64.3 | 69% | 0.694 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -89.7 | 0 | -177.7 | -61.7 | -171 | -175.5 | -161.7 | 0.7 | 114.2 | K269 | K269-R271 PolarHBondContact O-N 2.9Š|
| 272 | F | 84.7 | Confident | 86.9 | Confident | 126 Ų | 126 | 63.9 Ų | 63.9 | 55% | 0.553 | 31% | 0.312 | S | S | * | . | trans | -134.6 | 143.7 | 177.6 | 178.8 | -96.7 | 0 | 0 | 0 | 108.8 | R270 D300 | R270-F272 VanDerWaalsContact CD-O 3.26Å; R270-F272 WeakPolarHBondContact CD-O 3.43Å; R270-F272 VanDerWaalsContact CG-O 3.3Å; R270-F272 WeakPolarHBondContact CG-O 3.41Å; F272-D300 WeakPolarHBondContact CE1-OD2 3.5Å | ||
| 273 | F | 84.5 | Confident | 86.7 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | trans | -136.8 | 130.5 | 170.5 | 56.5 | -97.8 | 0 | 0 | 0 | 109.6 | T277 I278 A281 Y288 L290 | F273-T277 WeakPolarHBondContact CB-OG1 3.22Å; F273-I278 HydrophobicContact CB-CG2 3.67Å; F273-I278 HydrophobicContact CD2-CD1 3.89Å; F273-I278 HydrophobicContact CD2-CG1 4.43Å; F273-I278 HydrophobicContact CD2-CG2 3.85Å; F273-I278 HydrophobicContact CE2-CD1 4.13Å; F273-I278 HydrophobicContact CG-CG2 3.81Å; F273-A281 HydrophobicContact CE2-CB 3.81Å; F273-A281 HydrophobicContact CZ-CB 4.09Å; F273-Y288 AromaticContact CD1-CD2 3.93Å; F273-Y288 HydrophobicContact CD1-CD2 3.93Å; F273-Y288 AromaticContact CD1-CE2 3.92Å; F273-Y288 HydrophobicContact CD1-CE2 3.92Å; F273-Y288 HydrophobicContact CD1-CG 4.28Å; F273-Y288 AromaticContact CE1-CD1 3.95Å; F273-Y288 HydrophobicContact CE1-CD1 3.95Å; F273-Y288 HydrophobicContact CE1-CD2 4.01Å; F273-Y288 HydrophobicContact CE1-CE1 4.14Å; F273-Y288 HydrophobicContact CE1-CE2 4.18Å; F273-Y288 AromaticContact CE1-CG 3.88Å; F273-Y288 HydrophobicContact CE1-CG 3.88Å; F273-Y288 HydrophobicContact CZ-CG 4.36Å; F273-L290 HydrophobicContact CB-CD2 4.12Å | ||
| 274 | G | 84.1 | Confident | 86.5 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | trans | -107.8 | -179.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T277 D300 | G274-T277 PolarHBondContact N-OG1 2.86Å; G274-T277 VanDerWaalsContact N-OG1 3.17Å; G274-T277 PolarHBondContact O-N 3.23Å; G274-T277 PolarHBondContact O-OG1 3.18Å; G274-D300 WeakPolarHBondContact CA-OD1 3.45Å; G274-D300 PolarHBondContact N-OD1 3.46Å | ||
| 275 | G | 81.5 | Confident | 86.3 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 142 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T277 G301 | G275-T277 VanDerWaalsContact C-N 3.3Å; G275-T277 PolarHBondContact O-N 2.87Å; G275-G301 WeakPolarHBondContact O-CA 3.42Å; G275-G301 PolarHBondContact O-N 3.13Å |
| 276 | G | 82.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 76.9 Ų | 76.9 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -18.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R291 | G276-R291 WeakPolarHBondContact O-CD 3.43Å; G276-R291 PolarHBondContact O-NE 2.95Å |
| 277 | T | 85.4 | Confident | 86 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -14.4 | -174.7 | 71.8 | 0 | 0 | 0 | 0 | 115.2 | F273 G274 G275 L290 R291 Q296 D300 | F273-T277 WeakPolarHBondContact CB-OG1 3.22Å; G274-T277 PolarHBondContact N-OG1 2.86Å; G274-T277 VanDerWaalsContact N-OG1 3.17Å; G274-T277 PolarHBondContact O-N 3.23Å; G274-T277 PolarHBondContact O-OG1 3.18Å; G275-T277 VanDerWaalsContact C-N 3.3Å; G275-T277 PolarHBondContact O-N 2.87Å; T277-L290 WeakPolarHBondContact O-CA 3.47Å; T277-R291 PolarHBondContact O-N 3.21Å; T277-Q296 WeakPolarHBondContact CA-O 3.41Å; T277-Q296 WeakPolarHBondContact CG2-O 3.1Å; T277-D300 WeakPolarHBondContact CG2-OD1 3.12Å |
| 278 | I | 87.5 | Confident | 85.9 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 154.5 | -179.7 | 51.6 | 164.7 | 0 | 0 | 0 | 111.8 | F273 A281 Y288 Q289 L290 | F273-I278 HydrophobicContact CB-CG2 3.67Å; F273-I278 HydrophobicContact CD2-CD1 3.89Å; F273-I278 HydrophobicContact CD2-CG1 4.43Å; F273-I278 HydrophobicContact CD2-CG2 3.85Å; F273-I278 HydrophobicContact CE2-CD1 4.13Å; F273-I278 HydrophobicContact CG-CG2 3.81Å; I278-A281 HydrophobicContact CD1-CB 3.59Å; I278-Y288 HydrophobicContact CG2-CD2 4.38Å; I278-Q289 CarbonylContact C-O 3.44Å; I278-Q289 VanDerWaalsContact CA-O 3.26Å; I278-Q289 WeakPolarHBondContact CA-O 3.14Å; I278-Q289 WeakPolarHBondContact CB-O 3.24Å; I278-L290 HydrophobicContact CG2-CD2 3.87Å |
| 279 | N | 86.9 | Confident | 86.3 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 47% | 0.465 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -45.7 | 165.5 | -70.1 | -18.7 | 0 | 0 | 0 | 110.6 | Q289 | N279-Q289 HydrophobicContact CB-CB 4.41Å; N279-Q289 PolarHBondContact N-O 3.11Å; N279-Q289 PolarHBondContact ND2-OE1 2.85Å |
| 280 | Y | 88.8 | Confident | 86.9 | Confident | 92 Ų | 92 | 78 Ų | 78 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 157.6 | 174 | 67.9 | -94.5 | 0 | 0 | 0 | 110.6 | Y282 Y288 Q289 | Y280-Y282 HydrophobicContact CD2-CD2 4.11Å; Y280-Y282 AromaticContact CD2-CE2 3.9Å; Y280-Y282 HydrophobicContact CD2-CE2 3.9Å; Y280-Y282 HydrophobicContact CE2-CD2 4.07Å; Y280-Y282 AromaticContact CE2-CE2 3.72Å; Y280-Y282 HydrophobicContact CE2-CE2 3.72Å; Y280-Y288 VanDerWaalsContact O-CA 3.28Å; Y280-Y288 WeakPolarHBondContact O-CA 3.45Å; Y280-Y288 WeakPolarHBondContact O-CB 2.99Å; Y280-Q289 HydrophobicContact CD1-CB 3.77Å; Y280-Q289 HydrophobicContact CE1-CB 3.33Å; Y280-Q289 HydrophobicContact CE1-CG 4.22Å; Y280-Q289 HydrophobicContact CE2-CB 4.35Å; Y280-Q289 HydrophobicContact CG-CB 4.46Å; Y280-Q289 PolarHBondContact O-N 3.04Å |
| 281 | A | 89.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 129.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108 | F273 I278 | F273-A281 HydrophobicContact CE2-CB 3.81Å; F273-A281 HydrophobicContact CZ-CB 4.09Å; I278-A281 HydrophobicContact CD1-CB 3.59Å |
| 282 | Y | 90.6 | Very high | 87.8 | Confident | 116 Ų | 116 | 79 Ų | 79 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | trans | -82.8 | 128.8 | 178.2 | -72 | -65.6 | 0 | 0 | 0 | 110.3 | Y280 H284 D287 | Y280-Y282 HydrophobicContact CD2-CD2 4.11Å; Y280-Y282 AromaticContact CD2-CE2 3.9Å; Y280-Y282 HydrophobicContact CD2-CE2 3.9Å; Y280-Y282 HydrophobicContact CE2-CD2 4.07Å; Y280-Y282 AromaticContact CE2-CE2 3.72Å; Y280-Y282 HydrophobicContact CE2-CE2 3.72Å; Y282-H284 AromaticContact CD1-CE1 3.58Å; Y282-H284 PolarHBondContact O-N 2.8Å; Y282-D287 HydrophobicContact CD2-CB 3.94Å; Y282-D287 WeakPolarHBondContact CD2-OD2 3.12Å; Y282-D287 WeakPolarHBondContact CE2-OD2 3.15Å; Y282-D287 PolarHBondContact N-O 2.76Å | ||
| 283 | P | 91.7 | Very high | 88 | Confident | 131 Ų | 131 | 75.9 Ų | 75.9 | 85% | 0.851 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.6 | 176.8 | 27.8 | -34.5 | 0 | 0 | 0 | 113 | ||
| 284 | H | 92.6 | Very high | 88.4 | Confident | 154 Ų | 154 | 72.9 Ų | 72.9 | 71% | 0.713 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 1.7 | -174.4 | 60.4 | -88.6 | 0 | 0 | 0 | 113.4 | Y282 | Y282-H284 AromaticContact CD1-CE1 3.58Å; Y282-H284 PolarHBondContact O-N 2.8Å |
| 285 | A | 92.3 | Very high | 88.8 | Confident | 46 Ų | 46 | 73.1 Ų | 73.1 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -145.4 | 152.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | D287 | A285-D287 HydrophobicContact CB-CB 4.33Å; A285-D287 PolarHBondContact O-N 3.08Å |
| 286 | M | 90.4 | Very high | 89.2 | Confident | 191 Ų | 191 | 73.1 Ų | 73.1 | 94% | 0.941 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -77.9 | 49.9 | 174.1 | -68.6 | -64.4 | -68.9 | 0 | 0 | 111.3 | ||
| 287 | D | 90 | Very high | 89.6 | Confident | 71 Ų | 71 | 76 Ų | 76 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | trans | -128.7 | 129.8 | -174.7 | -178 | 31.6 | 0 | 0 | 0 | 111.1 | Y282 A285 | Y282-D287 HydrophobicContact CD2-CB 3.94Å; Y282-D287 WeakPolarHBondContact CD2-OD2 3.12Å; Y282-D287 WeakPolarHBondContact CE2-OD2 3.15Å; Y282-D287 PolarHBondContact N-O 2.76Å; A285-D287 HydrophobicContact CB-CB 4.33Å; A285-D287 PolarHBondContact O-N 3.08Å | ||
| 288 | Y | 89.8 | Confident | 89.9 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 153.2 | -176.1 | 66.6 | -84.2 | 0 | 0 | 0 | 110.3 | K269 F273 I278 Y280 L290 | K269-Y288 WeakPolarHBondContact CE-OH 3.29Å; K269-Y288 PolarHBondContact NZ-OH 3.44Å; F273-Y288 AromaticContact CD1-CD2 3.93Å; F273-Y288 HydrophobicContact CD1-CD2 3.93Å; F273-Y288 AromaticContact CD1-CE2 3.92Å; F273-Y288 HydrophobicContact CD1-CE2 3.92Å; F273-Y288 HydrophobicContact CD1-CG 4.28Å; F273-Y288 AromaticContact CE1-CD1 3.95Å; F273-Y288 HydrophobicContact CE1-CD1 3.95Å; F273-Y288 HydrophobicContact CE1-CD2 4.01Å; F273-Y288 HydrophobicContact CE1-CE1 4.14Å; F273-Y288 HydrophobicContact CE1-CE2 4.18Å; F273-Y288 AromaticContact CE1-CG 3.88Å; F273-Y288 HydrophobicContact CE1-CG 3.88Å; F273-Y288 HydrophobicContact CZ-CG 4.36Å; I278-Y288 HydrophobicContact CG2-CD2 4.38Å; Y280-Y288 VanDerWaalsContact O-CA 3.28Å; Y280-Y288 WeakPolarHBondContact O-CA 3.45Å; Y280-Y288 WeakPolarHBondContact O-CB 2.99Å; Y288-L290 HydrophobicContact CD2-CG 4.42Å; Y288-L290 HydrophobicContact CE2-CD2 4.38Å; Y288-L290 HydrophobicContact CE2-CG 4.13Å |
| 289 | Q | 89.5 | Confident | 90.1 | Very high | 85 Ų | 85 | 75.8 Ų | 75.8 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.4 | 175.6 | -172.4 | -174.9 | 47.3 | 0 | 0 | 110.1 | I278 N279 Y280 | I278-Q289 CarbonylContact C-O 3.44Å; I278-Q289 VanDerWaalsContact CA-O 3.26Å; I278-Q289 WeakPolarHBondContact CA-O 3.14Å; I278-Q289 WeakPolarHBondContact CB-O 3.24Å; N279-Q289 HydrophobicContact CB-CB 4.41Å; N279-Q289 PolarHBondContact N-O 3.11Å; N279-Q289 PolarHBondContact ND2-OE1 2.85Å; Y280-Q289 HydrophobicContact CD1-CB 3.77Å; Y280-Q289 HydrophobicContact CE1-CB 3.33Å; Y280-Q289 HydrophobicContact CE1-CG 4.22Å; Y280-Q289 HydrophobicContact CE2-CB 4.35Å; Y280-Q289 HydrophobicContact CG-CB 4.46Å; Y280-Q289 PolarHBondContact O-N 3.04Å |
| 290 | L | 88 | Confident | 90 | Very high | 31 Ų | 31 | 74.4 Ų | 74.4 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 153.6 | 169.6 | -67.7 | 173.1 | 0 | 0 | 0 | 110.4 | F273 T277 I278 Y288 R297 | F273-L290 HydrophobicContact CB-CD2 4.12Å; T277-L290 WeakPolarHBondContact O-CA 3.47Å; I278-L290 HydrophobicContact CG2-CD2 3.87Å; Y288-L290 HydrophobicContact CD2-CG 4.42Å; Y288-L290 HydrophobicContact CE2-CD2 4.38Å; Y288-L290 HydrophobicContact CE2-CG 4.13Å; L290-R297 HydrophobicContact CB-CG 4.36Å |
| 291 | R | 87 | Confident | 89.9 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | trans | -59.9 | 147.4 | 172.4 | -69.8 | -159.5 | 174.4 | -158.2 | 0.4 | 112 | G276 T277 Q296 R297 | G276-R291 WeakPolarHBondContact O-CD 3.43Å; G276-R291 PolarHBondContact O-NE 2.95Å; T277-R291 PolarHBondContact O-N 3.21Å; R291-Q296 HydrophobicContact CB-CB 4.21Å; R291-Q296 VanDerWaalsContact NH1-OE1 3.09Å; R291-R297 WeakPolarHBondContact O-CG 3.49Å; R291-R297 PolarHBondContact O-NE 2.77Å | ||
| 292 | E | 86.2 | Confident | 89.9 | Confident | 155 Ų | 155 | 73.4 Ų | 73.4 | 72% | 0.724 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -67.2 | -43.7 | -178.5 | -66.1 | -175.7 | 175.3 | 0 | 0 | 111.8 | F294 R297 | E292-F294 PolarHBondContact O-N 3.37Å; E292-R297 PolarHBondContact O-NH2 2.8Å |
| 293 | T | 89.1 | Confident | 89.9 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -65.4 | 121.9 | 179.7 | -54 | 0 | 0 | 0 | 0 | 111.4 | H295 Q296 | T293-H295 WeakPolarHBondContact CG2-CE1 3.48Å; T293-H295 WeakPolarHBondContact CG2-ND1 3.29Å; T293-H295 PolarHBondContact O-N 2.9Å; T293-Q296 HydrophobicContact CG2-CG 4.16Å; T293-Q296 PolarHBondContact O-N 3.22Å |
| 294 | F | 92.2 | Very high | 90 | Very high | 16 Ų | 16 | 66 Ų | 66 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -53.8 | -172.4 | 177.6 | -97.4 | 0 | 0 | 0 | 113.9 | H88 I90 V259 A264 F267 E292 Q296 R297 Y298 | H88-F294 HydrophobicContact CB-CD1 3.72Å; H88-F294 HydrophobicContact CB-CE1 4.31Å; H88-F294 AromaticContact CD2-CD1 3.42Å; H88-F294 VanDerWaalsContact CD2-CD1 3.42Å; H88-F294 WeakPolarHBondContact CD2-CD1 3.16Å; H88-F294 AromaticContact CD2-CG 3.74Å; H88-F294 AromaticContact CG-CD1 3.61Å; I90-F294 HydrophobicContact CD1-CD1 4.44Å; I90-F294 HydrophobicContact CD1-CE1 3.85Å; V259-F294 HydrophobicContact CB-CE1 3.85Å; V259-F294 HydrophobicContact CB-CZ 4.46Å; V259-F294 HydrophobicContact CG1-CE1 3.8Å; V259-F294 HydrophobicContact CG1-CZ 3.92Å; V259-F294 HydrophobicContact CG2-CE1 4.03Å; A264-F294 HydrophobicContact CB-CD1 4.34Å; A264-F294 HydrophobicContact CB-CD2 3.85Å; A264-F294 HydrophobicContact CB-CE1 4.04Å; A264-F294 HydrophobicContact CB-CE2 3.52Å; A264-F294 HydrophobicContact CB-CG 4.24Å; A264-F294 HydrophobicContact CB-CZ 3.62Å; F267-F294 HydrophobicContact CB-CE2 4.27Å; F267-F294 HydrophobicContact CB-CZ 4.41Å; F267-F294 HydrophobicContact CD2-CE2 4.15Å; F267-F294 AromaticContact CD2-CZ 3.55Å; F267-F294 HydrophobicContact CD2-CZ 3.55Å; F267-F294 HydrophobicContact CE2-CZ 4.1Å; F267-F294 HydrophobicContact CG-CZ 4.15Å; E292-F294 PolarHBondContact O-N 3.37Å; F294-Q296 VanDerWaalsContact C-N 3.29Å; F294-Q296 PolarHBondContact O-N 2.75Å; F294-R297 VanDerWaalsContact O-CB 3.28Å; F294-R297 WeakPolarHBondContact O-CB 3.25Å; F294-R297 WeakPolarHBondContact O-CG 3.44Å; F294-R297 PolarHBondContact O-N 3.02Å; F294-Y298 HydrophobicContact CD1-CE2 4.47Å; F294-Y298 HydrophobicContact CD2-CE2 4.01Å; F294-Y298 HydrophobicContact CE1-CD2 4.35Å; F294-Y298 HydrophobicContact CE1-CE2 4.12Å; F294-Y298 AromaticContact CE2-CE2 3.6Å; F294-Y298 HydrophobicContact CE2-CE2 3.6Å; F294-Y298 HydrophobicContact CG-CE2 4.44Å; F294-Y298 HydrophobicContact CZ-CD2 4.31Å; F294-Y298 AromaticContact CZ-CE2 3.67Å; F294-Y298 HydrophobicContact CZ-CE2 3.67Å; F294-Y298 VanDerWaalsContact O-CD2 3.32Å; F294-Y298 WeakPolarHBondContact O-CD2 3.4Å |
| 295 | H | 92.7 | Very high | 90 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -62.9 | -34.4 | -174.8 | 60.8 | -99.5 | 0 | 0 | 0 | 113.2 | V89 I90 T293 R297 Y298 E299 | V89-H295 VanDerWaalsContact O-CB 3.31Å; V89-H295 WeakPolarHBondContact O-CB 3.41Å; I90-H295 HydrophobicContact CG1-CB 3.82Å; T293-H295 WeakPolarHBondContact CG2-CE1 3.48Å; T293-H295 WeakPolarHBondContact CG2-ND1 3.29Å; T293-H295 PolarHBondContact O-N 2.9Å; H295-R297 PolarHBondContact O-N 2.86Å; H295-R297 VanDerWaalsContact O-N 3.17Å; H295-Y298 PolarHBondContact O-N 2.89Å; H295-E299 IonicContact CD2-OE2 4Å; H295-E299 PolarHBondContact O-N 2.8Å |
| 296 | Q | 90.2 | Very high | 90.1 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -64.6 | -21.7 | 178.8 | -61.7 | -175.2 | -19.2 | 0 | 0 | 112.3 | T277 R291 T293 F294 Y298 | T277-Q296 WeakPolarHBondContact CA-O 3.41Å; T277-Q296 WeakPolarHBondContact CG2-O 3.1Å; R291-Q296 HydrophobicContact CB-CB 4.21Å; R291-Q296 VanDerWaalsContact NH1-OE1 3.09Å; T293-Q296 HydrophobicContact CG2-CG 4.16Å; T293-Q296 PolarHBondContact O-N 3.22Å; F294-Q296 VanDerWaalsContact C-N 3.29Å; F294-Q296 PolarHBondContact O-N 2.75Å; Q296-Y298 PolarHBondContact O-N 2.99Å |
| 297 | R | 91.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -68.8 | -16.4 | 175.6 | -55.6 | 177.8 | -171.8 | 173.6 | 3.9 | 112.6 | R270 L290 R291 E292 F294 H295 | R270-R297 WeakPolarHBondContact CD-O 3.5Å; R270-R297 PolarHBondContact NE-O 3.32Å; R270-R297 PolarHBondContact NH1-O 2.97Å; L290-R297 HydrophobicContact CB-CG 4.36Å; R291-R297 WeakPolarHBondContact O-CG 3.49Å; R291-R297 PolarHBondContact O-NE 2.77Å; E292-R297 PolarHBondContact O-NH2 2.8Å; F294-R297 VanDerWaalsContact O-CB 3.28Å; F294-R297 WeakPolarHBondContact O-CB 3.25Å; F294-R297 WeakPolarHBondContact O-CG 3.44Å; F294-R297 PolarHBondContact O-N 3.02Å; H295-R297 PolarHBondContact O-N 2.86Å; H295-R297 VanDerWaalsContact O-N 3.17Å |
| 298 | Y | 92.2 | Very high | 90.7 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -120.9 | 1 | -172.9 | -58.9 | -80.9 | 0 | 0 | 0 | 114 | I90 L101 N105 F267 R270 F294 H295 Q296 | I90-Y298 HydrophobicContact CD1-CD2 3.85Å; I90-Y298 HydrophobicContact CD1-CG 4.07Å; L101-Y298 HydrophobicContact CD1-CD1 4.01Å; N105-Y298 HydrophobicContact CB-CE1 4.42Å; F267-Y298 AromaticContact CD2-CE1 3.96Å; F267-Y298 HydrophobicContact CD2-CE1 3.96Å; F267-Y298 HydrophobicContact CD2-CE2 4.06Å; F267-Y298 AromaticContact CD2-CZ 3.6Å; F267-Y298 HydrophobicContact CE2-CE1 4.43Å; R270-Y298 HydrophobicContact CB-CE1 4.3Å; R270-Y298 HydrophobicContact CG-CD1 4.39Å; R270-Y298 HydrophobicContact CG-CE1 4.07Å; F294-Y298 HydrophobicContact CD1-CE2 4.47Å; F294-Y298 HydrophobicContact CD2-CE2 4.01Å; F294-Y298 HydrophobicContact CE1-CD2 4.35Å; F294-Y298 HydrophobicContact CE1-CE2 4.12Å; F294-Y298 AromaticContact CE2-CE2 3.6Å; F294-Y298 HydrophobicContact CE2-CE2 3.6Å; F294-Y298 HydrophobicContact CG-CE2 4.44Å; F294-Y298 HydrophobicContact CZ-CD2 4.31Å; F294-Y298 AromaticContact CZ-CE2 3.67Å; F294-Y298 HydrophobicContact CZ-CE2 3.67Å; F294-Y298 VanDerWaalsContact O-CD2 3.32Å; F294-Y298 WeakPolarHBondContact O-CD2 3.4Å; H295-Y298 PolarHBondContact O-N 2.89Å; Q296-Y298 PolarHBondContact O-N 2.99Å |
| 299 | E | 91.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | trans | -103.6 | 77.1 | 177.4 | -69.4 | 175.6 | 159.1 | 0 | 0 | 109.4 | R73 I90 F91 H295 L303 | R73-E299 IonicContact CZ-OE1 2.65Å; R73-E299 IonicContact CZ-OE2 3.46Å; R73-E299 IonicContact NE-OE1 3.27Å; R73-E299 IonicContact NH2-OE1 3.04Å; R73-E299 PolarHBondContact NH2-OE1 3Å; R73-E299 IonicContact NH2-OE2 3.97Å; R73-E299 PolarHBondContact NH2-OE2 3.34Å; I90-E299 HydrophobicContact CG2-CG 3.96Å; F91-E299 WeakPolarHBondContact CD2-OE1 3.07Å; F91-E299 PolarHBondContact N-OE1 3.28Å; H295-E299 IonicContact CD2-OE2 4Å; H295-E299 PolarHBondContact O-N 2.8Å; E299-L303 HydrophobicContact CB-CD1 4.42Å; E299-L303 HydrophobicContact CB-CD2 3.92Å; E299-L303 HydrophobicContact CB-CG 4.32Å; E299-L303 HydrophobicContact CG-CD1 4.41Å; E299-L303 HydrophobicContact CG-CD2 4.03Å | ||
| 300 | D | 84.3 | Confident | 91.1 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | trans | -67.6 | 139.8 | -179.6 | -64.7 | -51.6 | 0 | 0 | 0 | 112.8 | R270 F272 G274 T277 | R270-D300 IonicContact CZ-OD1 3.46Å; R270-D300 IonicContact CZ-OD2 2.74Å; R270-D300 VanDerWaalsContact NH1-CG 3.3Å; R270-D300 IonicContact NH1-OD1 2.59Å; R270-D300 PolarHBondContact NH1-OD1 3.44Å; R270-D300 IonicContact NH1-OD2 2.77Å; R270-D300 PolarHBondContact NH1-OD2 3.43Å; R270-D300 IonicContact NH2-OD1 3.5Å; R270-D300 IonicContact NH2-OD2 3.93Å; R270-D300 PolarHBondContact NH2-OD2 3.29Å; F272-D300 WeakPolarHBondContact CE1-OD2 3.5Å; G274-D300 WeakPolarHBondContact CA-OD1 3.45Å; G274-D300 PolarHBondContact N-OD1 3.46Å; T277-D300 WeakPolarHBondContact CG2-OD1 3.12Å | ||
| 301 | G | 86.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 71.1 | -156.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G275 | G275-G301 WeakPolarHBondContact O-CA 3.42Å; G275-G301 PolarHBondContact O-N 3.13Å |
| 302 | T | 89.2 | Confident | 92 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 45% | 0.454 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -85.8 | 116.4 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 108.7 | N58 F305 | N58-T302 PolarHBondContact ND2-OG1 3.2Å; T302-F305 HydrophobicContact CG2-CD1 3.77Å; T302-F305 HydrophobicContact CG2-CE1 3.82Å |
| 303 | L | 91.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | trans | -55.9 | 155.8 | 171.3 | -71.8 | 176.9 | 0 | 0 | 0 | 111.4 | V69 F91 E299 F305 I308 | V69-L303 HydrophobicContact CG1-CD1 4.48Å; F91-L303 HydrophobicContact CB-CD1 4.48Å; F91-L303 HydrophobicContact CB-CD2 4.01Å; F91-L303 HydrophobicContact CD2-CD1 3.98Å; E299-L303 HydrophobicContact CB-CD1 4.42Å; E299-L303 HydrophobicContact CB-CD2 3.92Å; E299-L303 HydrophobicContact CB-CG 4.32Å; E299-L303 HydrophobicContact CG-CD1 4.41Å; E299-L303 HydrophobicContact CG-CD2 4.03Å; L303-F305 WeakPolarHBondContact O-CD1 3.08Å; L303-F305 PolarHBondContact O-N 2.79Å; L303-I308 HydrophobicContact CB-CD1 3.8Å; L303-I308 HydrophobicContact CD1-CD1 4.05Å; L303-I308 HydrophobicContact CG-CD1 4.38Å | ||
| 304 | P | 93.7 | Very high | 92.8 | Very high | 61 Ų | 61 | 30.4 Ų | 30.4 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | trans | -72.4 | 63.7 | 172.7 | 32.9 | -36.5 | 0 | 0 | 0 | 110.5 | V254 L306 S307 I308 | V254-P304 HydrophobicContact CG2-CG 4.25Å; P304-L306 VanDerWaalsContact C-N 3.28Å; P304-L306 PolarHBondContact O-N 2.96Å; P304-S307 WeakPolarHBondContact O-CA 3.39Å; P304-S307 WeakPolarHBondContact O-CB 3.49Å; P304-S307 PolarHBondContact O-N 3.39Å; P304-I308 HydrophobicContact CG-CD1 4.35Å; P304-I308 HydrophobicContact CG-CG1 4.4Å; P304-I308 PolarHBondContact O-N 3.3Å | ||
| 305 | F | 93.1 | Very high | 93.1 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.6 | -37.2 | -166.8 | 59.8 | -93.1 | 0 | 0 | 0 | 112.4 | I56 C57 T65 V69 T302 L303 S307 I308 V309 | I56-F305 HydrophobicContact CG2-CD2 3.69Å; I56-F305 HydrophobicContact CG2-CE2 3.89Å; C57-F305 WeakPolarHBondContact O-CE2 3.33Å; T65-F305 HydrophobicContact CG2-CB 3.86Å; T65-F305 HydrophobicContact CG2-CD2 3.52Å; T65-F305 HydrophobicContact CG2-CE2 4.25Å; T65-F305 HydrophobicContact CG2-CG 3.81Å; V69-F305 HydrophobicContact CG2-CB 4.18Å; T302-F305 HydrophobicContact CG2-CD1 3.77Å; T302-F305 HydrophobicContact CG2-CE1 3.82Å; L303-F305 WeakPolarHBondContact O-CD1 3.08Å; L303-F305 PolarHBondContact O-N 2.79Å; F305-S307 VanDerWaalsContact C-N 3.35Å; F305-S307 PolarHBondContact O-N 2.99Å; F305-I308 PolarHBondContact O-N 2.82Å; F305-V309 WeakPolarHBondContact O-CG2 3.16Å; F305-V309 PolarHBondContact O-N 3.37Å |
| 306 | L | 93.9 | Very high | 93.3 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 39% | 0.393 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 175 | -59.5 | -179.4 | 0 | 0 | 0 | 111.9 | L51 I56 P304 G310 | L51-L306 HydrophobicContact CD2-CB 4.47Å; L51-L306 HydrophobicContact CD2-CD2 3.73Å; I56-L306 HydrophobicContact CB-CD2 3.93Å; I56-L306 HydrophobicContact CG2-CD2 3.85Å; P304-L306 VanDerWaalsContact C-N 3.28Å; P304-L306 PolarHBondContact O-N 2.96Å; L306-G310 PolarHBondContact O-N 3.35Å; L306-G310 VanDerWaalsContact O-N 3.12Å |
| 307 | S | 95.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | P251 V254 P304 F305 G310 L311 | P251-S307 WeakPolarHBondContact CG-O 3.35Å; V254-S307 VanDerWaalsContact CG2-CB 3.42Å; P304-S307 WeakPolarHBondContact O-CA 3.39Å; P304-S307 WeakPolarHBondContact O-CB 3.49Å; P304-S307 PolarHBondContact O-N 3.39Å; F305-S307 VanDerWaalsContact C-N 3.35Å; F305-S307 PolarHBondContact O-N 2.99Å; S307-G310 PolarHBondContact O-N 3.07Å; S307-L311 PolarHBondContact O-N 2.81Å |
| 308 | I | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 175.3 | -67.9 | 167.9 | 0 | 0 | 0 | 110.2 | V69 V72 F91 V254 L303 P304 F305 G310 L311 | V69-I308 HydrophobicContact CG1-CG2 4.31Å; V69-I308 HydrophobicContact CG2-CG2 4.21Å; V72-I308 HydrophobicContact CB-CG2 3.94Å; V72-I308 HydrophobicContact CG1-CG2 3.85Å; V72-I308 HydrophobicContact CG2-CG2 4.06Å; V72-I308 WeakPolarHBondContact CG2-O 3.19Å; F91-I308 HydrophobicContact CB-CD1 4.14Å; F91-I308 HydrophobicContact CD1-CD1 4.06Å; F91-I308 HydrophobicContact CD1-CG1 4.09Å; F91-I308 HydrophobicContact CD1-CG2 4.45Å; F91-I308 HydrophobicContact CD2-CD1 3.85Å; F91-I308 HydrophobicContact CE1-CD1 4.44Å; F91-I308 HydrophobicContact CE1-CG1 4.25Å; F91-I308 HydrophobicContact CE1-CG2 3.81Å; F91-I308 HydrophobicContact CE2-CD1 4.24Å; F91-I308 HydrophobicContact CE2-CG2 4.06Å; F91-I308 HydrophobicContact CG-CD1 3.75Å; F91-I308 HydrophobicContact CG-CG1 4.29Å; F91-I308 HydrophobicContact CZ-CG2 3.59Å; V254-I308 HydrophobicContact CG1-CG1 3.92Å; L303-I308 HydrophobicContact CB-CD1 3.8Å; L303-I308 HydrophobicContact CD1-CD1 4.05Å; L303-I308 HydrophobicContact CG-CD1 4.38Å; P304-I308 HydrophobicContact CG-CD1 4.35Å; P304-I308 HydrophobicContact CG-CG1 4.4Å; P304-I308 PolarHBondContact O-N 3.3Å; F305-I308 PolarHBondContact O-N 2.82Å; I308-G310 VanDerWaalsContact C-N 3.25Å; I308-G310 PolarHBondContact O-N 3.26Å; I308-L311 WeakPolarHBondContact O-CB 3.37Å; I308-L311 WeakPolarHBondContact O-CG 3.12Å; I308-L311 PolarHBondContact O-N 3.45Å |
| 309 | V | 93.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58 | -40.1 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | I56 F68 F305 L311 L312 | I56-V309 HydrophobicContact CD1-CB 4.5Å; I56-V309 HydrophobicContact CD1-CG1 3.94Å; I56-V309 HydrophobicContact CD1-CG2 4.34Å; I56-V309 HydrophobicContact CG2-CG2 4.47Å; F68-V309 HydrophobicContact CB-CG1 4.45Å; F68-V309 HydrophobicContact CB-CG2 3.6Å; F68-V309 HydrophobicContact CD1-CG1 4.39Å; F68-V309 HydrophobicContact CG-CG1 4.33Å; F68-V309 HydrophobicContact CG-CG2 4.2Å; F305-V309 WeakPolarHBondContact O-CG2 3.16Å; F305-V309 PolarHBondContact O-N 3.37Å; V309-L311 PolarHBondContact O-N 2.92Å; V309-L312 WeakPolarHBondContact O-CB 3.4Å; V309-L312 WeakPolarHBondContact O-CG 3.41Å; V309-L312 PolarHBondContact O-N 3.45Å |
| 310 | G | 95.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -18.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L306 S307 I308 L312 E313 G314 | L306-G310 PolarHBondContact O-N 3.35Å; L306-G310 VanDerWaalsContact O-N 3.12Å; S307-G310 PolarHBondContact O-N 3.07Å; I308-G310 VanDerWaalsContact C-N 3.25Å; I308-G310 PolarHBondContact O-N 3.26Å; G310-L312 VanDerWaalsContact C-N 3.26Å; G310-L312 PolarHBondContact O-N 2.92Å; G310-E313 PolarHBondContact O-N 3.13Å; G310-G314 PolarHBondContact O-N 3.47Å |
| 311 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -28.4 | 172.9 | -64.1 | 175.6 | 0 | 0 | 0 | 112.7 | V72 F244 F248 P251 V254 S307 I308 V309 E313 G314 F315 | V72-L311 HydrophobicContact CG1-CB 4.06Å; V72-L311 HydrophobicContact CG1-CD1 3.91Å; F244-L311 HydrophobicContact CB-CD1 4.48Å; F244-L311 HydrophobicContact CB-CD2 3.4Å; F244-L311 HydrophobicContact CD1-CD1 4.37Å; F244-L311 HydrophobicContact CD1-CD2 4.27Å; F244-L311 HydrophobicContact CD2-CD1 3.54Å; F244-L311 HydrophobicContact CD2-CD2 4.04Å; F244-L311 HydrophobicContact CD2-CG 4.48Å; F244-L311 HydrophobicContact CE2-CD1 3.77Å; F244-L311 HydrophobicContact CG-CD1 3.88Å; F244-L311 HydrophobicContact CG-CD2 3.65Å; F244-L311 HydrophobicContact CG-CG 4.45Å; F244-L311 HydrophobicContact CZ-CD1 4.3Å; F248-L311 HydrophobicContact CD2-CD2 4.07Å; F248-L311 HydrophobicContact CE2-CD2 4.32Å; P251-L311 HydrophobicContact CG-CD2 4.44Å; V254-L311 HydrophobicContact CG1-CD1 3.86Å; S307-L311 PolarHBondContact O-N 2.81Å; I308-L311 WeakPolarHBondContact O-CB 3.37Å; I308-L311 WeakPolarHBondContact O-CG 3.12Å; I308-L311 PolarHBondContact O-N 3.45Å; V309-L311 PolarHBondContact O-N 2.92Å; L311-E313 VanDerWaalsContact C-N 3.26Å; L311-E313 PolarHBondContact O-N 3.18Å; L311-G314 WeakPolarHBondContact O-CA 3.49Å; L311-G314 PolarHBondContact O-N 3.46Å; L311-F315 HydrophobicContact CB-CE2 4.26Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 3.27Å |
| 312 | L | 95.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -41.9 | 176.6 | -66.8 | 176.5 | 0 | 0 | 0 | 111.2 | F68 V72 K75 V309 G310 G314 F315 R316 | F68-L312 HydrophobicContact CD1-CD1 4.03Å; V72-L312 HydrophobicContact CB-CD2 4.46Å; V72-L312 HydrophobicContact CG2-CD1 4.18Å; V72-L312 HydrophobicContact CG2-CD2 3.62Å; V72-L312 HydrophobicContact CG2-CG 3.55Å; K75-L312 HydrophobicContact CG-CD2 4.13Å; V309-L312 WeakPolarHBondContact O-CB 3.4Å; V309-L312 WeakPolarHBondContact O-CG 3.41Å; V309-L312 PolarHBondContact O-N 3.45Å; G310-L312 VanDerWaalsContact C-N 3.26Å; G310-L312 PolarHBondContact O-N 2.92Å; L312-G314 VanDerWaalsContact C-N 3.29Å; L312-G314 PolarHBondContact O-N 3.32Å; L312-F315 PolarHBondContact O-N 3.49Å; L312-R316 VanDerWaalsContact O-CG 3.32Å; L312-R316 WeakPolarHBondContact O-CG 3.45Å; L312-R316 PolarHBondContact O-N 3.01Å |
| 313 | E | 95.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 31 Ų | 31 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -28.1 | 176.1 | -54.8 | -51.9 | 157 | 0 | 0 | 112.2 | Q43 A46 A47 Q50 G310 L311 R316 T317 | Q43-E313 HydrophobicContact CG-CB 4.22Å; A46-E313 HydrophobicContact CB-CB 4.41Å; A46-E313 HydrophobicContact CB-CG 3.98Å; A47-E313 HydrophobicContact CB-CG 4.33Å; Q50-E313 PolarHBondContact OE1-OE1 3.35Å; G310-E313 PolarHBondContact O-N 3.13Å; L311-E313 VanDerWaalsContact C-N 3.26Å; L311-E313 PolarHBondContact O-N 3.18Å; E313-R316 IonicContact OE1-CZ 2.61Å; E313-R316 IonicContact OE1-NH1 3.58Å; E313-R316 PolarHBondContact OE1-NH1 3.28Å; E313-R316 IonicContact OE2-NH1 2.63Å; E313-R316 PolarHBondContact OE2-NH1 3.41Å; E313-R316 VanDerWaalsContact OE2-NH1 3.09Å; E313-T317 WeakPolarHBondContact O-CB 3.25Å; E313-T317 PolarHBondContact O-N 3.44Å; E313-T317 PolarHBondContact O-OG1 2.05Å |
| 314 | G | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -52.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | G310 L311 L312 T317 L318 | G310-G314 PolarHBondContact O-N 3.47Å; L311-G314 WeakPolarHBondContact O-CA 3.49Å; L311-G314 PolarHBondContact O-N 3.46Å; L312-G314 VanDerWaalsContact C-N 3.29Å; L312-G314 PolarHBondContact O-N 3.32Å; G314-T317 PolarHBondContact O-N 2.68Å; G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 PolarHBondContact O-N 2.86Å |
| 315 | F | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.022 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 176.6 | -72.1 | -72.9 | 0 | 0 | 0 | 111.8 | K75 I76 F79 F244 F248 L311 L312 T317 L318 E319 | K75-F315 HydrophobicContact CB-CD2 4.17Å; K75-F315 HydrophobicContact CB-CE2 4.23Å; I76-F315 HydrophobicContact CG1-CE2 4.18Å; I76-F315 HydrophobicContact CG1-CZ 3.88Å; F79-F315 HydrophobicContact CB-CD1 4.34Å; F79-F315 HydrophobicContact CB-CE1 3.65Å; F79-F315 HydrophobicContact CB-CZ 4.47Å; F79-F315 HydrophobicContact CD1-CE1 4.33Å; F79-F315 AromaticContact CD2-CD1 3.92Å; F79-F315 HydrophobicContact CD2-CD1 3.92Å; F79-F315 AromaticContact CD2-CE1 3.69Å; F79-F315 HydrophobicContact CD2-CE1 3.69Å; F79-F315 HydrophobicContact CE2-CE1 4.4Å; F79-F315 HydrophobicContact CG-CD1 4.31Å; F79-F315 AromaticContact CG-CE1 3.64Å; F79-F315 HydrophobicContact CG-CE1 3.64Å; F244-F315 HydrophobicContact CE1-CZ 4.35Å; F248-F315 HydrophobicContact CE1-CD1 4.33Å; F248-F315 HydrophobicContact CE2-CD1 4.48Å; F248-F315 HydrophobicContact CE2-CD2 4.46Å; F248-F315 HydrophobicContact CE2-CE1 4.26Å; F248-F315 HydrophobicContact CE2-CE2 4.24Å; F248-F315 HydrophobicContact CE2-CZ 4.13Å; F248-F315 AromaticContact CZ-CD1 3.62Å; F248-F315 HydrophobicContact CZ-CD1 3.62Å; F248-F315 HydrophobicContact CZ-CD2 4.28Å; F248-F315 AromaticContact CZ-CE1 3.62Å; F248-F315 HydrophobicContact CZ-CE1 3.62Å; F248-F315 HydrophobicContact CZ-CE2 4.28Å; F248-F315 AromaticContact CZ-CG 3.95Å; F248-F315 HydrophobicContact CZ-CG 3.95Å; F248-F315 AromaticContact CZ-CZ 3.96Å; F248-F315 HydrophobicContact CZ-CZ 3.96Å; L311-F315 HydrophobicContact CB-CE2 4.26Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 3.27Å; L312-F315 PolarHBondContact O-N 3.49Å; F315-T317 VanDerWaalsContact C-N 3.35Å; F315-T317 PolarHBondContact O-N 2.88Å; F315-L318 PolarHBondContact O-N 2.81Å; F315-E319 WeakPolarHBondContact O-CG 3.39Å; F315-E319 PolarHBondContact O-N 3.44Å |
| 316 | R | 97.4 | Very high | 96.6 | Very high | 118 Ų | 118 | 46.3 Ų | 46.3 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -42.5 | -179.5 | -70.2 | 174.7 | -165.5 | 147.8 | 5.3 | 112.4 | L312 E313 R320 | L312-R316 VanDerWaalsContact O-CG 3.32Å; L312-R316 WeakPolarHBondContact O-CG 3.45Å; L312-R316 PolarHBondContact O-N 3.01Å; E313-R316 IonicContact OE1-CZ 2.61Å; E313-R316 IonicContact OE1-NH1 3.58Å; E313-R316 PolarHBondContact OE1-NH1 3.28Å; E313-R316 IonicContact OE2-NH1 2.63Å; E313-R316 PolarHBondContact OE2-NH1 3.41Å; E313-R316 VanDerWaalsContact OE2-NH1 3.09Å; R316-R320 VanDerWaalsContact O-CB 3.22Å; R316-R320 WeakPolarHBondContact O-CB 3.35Å; R316-R320 PolarHBondContact O-N 3.22Å |
| 317 | T | 97.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | A40 Q43 E313 G314 F315 R320 L321 | A40-T317 HydrophobicContact CB-CG2 3.6Å; Q43-T317 HydrophobicContact CB-CG2 4.23Å; E313-T317 WeakPolarHBondContact O-CB 3.25Å; E313-T317 PolarHBondContact O-N 3.44Å; E313-T317 PolarHBondContact O-OG1 2.05Å; G314-T317 PolarHBondContact O-N 2.68Å; F315-T317 VanDerWaalsContact C-N 3.35Å; F315-T317 PolarHBondContact O-N 2.88Å; T317-R320 PolarHBondContact O-N 3.16Å; T317-L321 HydrophobicContact CG2-CD1 3.6Å; T317-L321 HydrophobicContact CG2-CG 4.08Å; T317-L321 WeakPolarHBondContact O-CB 3.45Å; T317-L321 VanDerWaalsContact O-CG 3.3Å; T317-L321 WeakPolarHBondContact O-CG 3.25Å; T317-L321 PolarHBondContact O-N 2.98Å |
| 318 | L | 97.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 177.3 | -169.7 | 70.7 | 0 | 0 | 0 | 111.6 | F79 I247 F248 G314 F315 R320 L321 V322 T330 M331 I334 Y461 | F79-L318 HydrophobicContact CE2-CD2 4.19Å; I247-L318 HydrophobicContact CG2-CD2 4.18Å; F248-L318 HydrophobicContact CD1-CB 4.38Å; F248-L318 HydrophobicContact CD1-CD2 4.43Å; F248-L318 HydrophobicContact CE1-CB 4.13Å; F248-L318 HydrophobicContact CE1-CD2 3.83Å; G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 PolarHBondContact O-N 2.86Å; F315-L318 PolarHBondContact O-N 2.81Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.49Å; L318-L321 PolarHBondContact O-N 2.66Å; L318-V322 PolarHBondContact O-N 2.99Å; L318-T330 HydrophobicContact CD2-CG2 4.24Å; L318-T330 HydrophobicContact CG-CG2 3.94Å; L318-M331 HydrophobicContact CD2-SD 3.83Å; L318-I334 HydrophobicContact CD1-CD1 3.63Å; L318-I334 HydrophobicContact CD2-CD1 4.39Å; L318-I334 HydrophobicContact CG-CD1 4.2Å; L318-Y461 HydrophobicContact CD1-CD1 3.93Å; L318-Y461 HydrophobicContact CD1-CE1 3.62Å |
| 319 | E | 97.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.7 | -71.4 | 172.5 | -177.5 | 0 | 0 | 112.6 | F315 V322 P323 | F315-E319 WeakPolarHBondContact O-CG 3.39Å; F315-E319 PolarHBondContact O-N 3.44Å; E319-V322 CarbonylContact O-C 3.45Å; E319-P323 WeakPolarHBondContact O-CA 3.36Å |
| 320 | R | 97.4 | Very high | 97 | Very high | 110 Ų | 110 | 53.4 Ų | 53.4 | 42% | 0.415 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 177.4 | 179.9 | 179.4 | 60.2 | 83.2 | 1 | 112.2 | E19 S42 R316 T317 L318 | E19-R320 IonicContact OE1-CZ 3.09Å; E19-R320 IonicContact OE1-NH1 3.85Å; E19-R320 PolarHBondContact OE1-NH1 2.91Å; E19-R320 IonicContact OE1-NH2 3.56Å; E19-R320 PolarHBondContact OE1-NH2 3.38Å; E19-R320 IonicContact OE2-NH2 3.38Å; S42-R320 PolarHBondContact OG-NH2 2.63Å; R316-R320 VanDerWaalsContact O-CB 3.22Å; R316-R320 WeakPolarHBondContact O-CB 3.35Å; R316-R320 PolarHBondContact O-N 3.22Å; T317-R320 PolarHBondContact O-N 3.16Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.49Å |
| 321 | L | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.3 | -32.7 | -176.6 | -65.3 | 177.6 | 0 | 0 | 0 | 112.5 | I16 E19 A40 T317 L318 Y461 | I16-L321 HydrophobicContact CG1-CB 4.18Å; E19-L321 HydrophobicContact CB-CD1 4.32Å; E19-L321 HydrophobicContact CG-CD1 3.88Å; E19-L321 HydrophobicContact CG-CD2 3.64Å; E19-L321 HydrophobicContact CG-CG 4.38Å; A40-L321 HydrophobicContact CB-CD1 4.2Å; T317-L321 HydrophobicContact CG2-CD1 3.6Å; T317-L321 HydrophobicContact CG2-CG 4.08Å; T317-L321 WeakPolarHBondContact O-CB 3.45Å; T317-L321 VanDerWaalsContact O-CG 3.3Å; T317-L321 WeakPolarHBondContact O-CG 3.25Å; T317-L321 PolarHBondContact O-N 2.98Å; L318-L321 PolarHBondContact O-N 2.66Å; L321-Y461 HydrophobicContact CB-CE2 4.4Å; L321-Y461 HydrophobicContact CD1-CE2 4.01Å |
| 322 | V | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -125.7 | 75.9 | 176 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | F8 I16 L318 E319 T330 R333 I334 Y461 | F8-V322 HydrophobicContact CE1-CG1 3.6Å; F8-V322 HydrophobicContact CE1-CG2 4.22Å; F8-V322 HydrophobicContact CZ-CG1 4.04Å; F8-V322 HydrophobicContact CZ-CG2 4.01Å; I16-V322 HydrophobicContact CD1-CG2 4.29Å; L318-V322 PolarHBondContact O-N 2.99Å; E319-V322 CarbonylContact O-C 3.45Å; V322-T330 HydrophobicContact CB-CG2 4.05Å; V322-T330 HydrophobicContact CG1-CG2 4.28Å; V322-T330 VanDerWaalsContact O-CB 3.3Å; V322-T330 WeakPolarHBondContact O-CB 3.06Å; V322-T330 WeakPolarHBondContact O-CG2 3.19Å; V322-T330 PolarHBondContact O-OG1 3.25Å; V322-R333 HydrophobicContact CG1-CB 3.89Å; V322-I334 HydrophobicContact CB-CD1 4.46Å; V322-I334 HydrophobicContact CB-CG1 4.32Å; V322-I334 HydrophobicContact CG1-CG1 3.93Å; V322-I334 HydrophobicContact CG2-CD1 4.39Å; V322-I334 HydrophobicContact CG2-CG1 4.21Å; V322-Y461 HydrophobicContact CG2-CD2 3.91Å; V322-Y461 HydrophobicContact CG2-CG 4.09Å |
| 323 | P | 97.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | trans | -63.4 | 146.6 | -178.5 | 25.4 | -33.2 | 0 | 0 | 0 | 111.1 | E319 R333 | E319-P323 WeakPolarHBondContact O-CA 3.36Å; P323-R333 WeakPolarHBondContact O-CD 3.08Å; P323-R333 PolarHBondContact O-NH1 3.34Å | ||
| 324 | R | 96.9 | Very high | 97.4 | Very high | 201 Ų | 201 | 56.5 Ų | 56.5 | 76% | 0.758 | 27% | 0.266 | S | S | * | . | trans | -63.9 | 148.4 | 170.1 | 70.8 | -178.1 | -161.2 | 174 | 6.3 | 110.3 | F328 | R324-F328 WeakPolarHBondContact CA-O 3.1Š| ||
| 325 | T | 96.5 | Very high | 97.4 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | trans | -100.8 | 178 | 167.3 | 61.7 | 0 | 0 | 0 | 0 | 109.8 | E327 F328 | T325-E327 PolarHBondContact O-N 2.82Å; T325-E327 PolarHBondContact OG1-N 2.68Å; T325-F328 PolarHBondContact N-O 2.62Å; T325-F328 PolarHBondContact OG1-N 2.84Å; T325-F328 VanDerWaalsContact OG1-N 3.09Å; T325-F328 PolarHBondContact OG1-O 3.19Å | ||
| 326 | D | 95.5 | Very high | 97.4 | Very high | 179 Ų | 179 | 60.5 Ų | 60.5 | 96% | 0.957 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -62.2 | -25.6 | 173.9 | -62.2 | -30.2 | 0 | 0 | 0 | 112.6 | ||
| 327 | E | 95.4 | Very high | 97.5 | Very high | 153 Ų | 153 | 55 Ų | 55 | 72% | 0.715 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -101 | -29.1 | -176.5 | -65 | -177.2 | -179.2 | 0 | 0 | 113.9 | T325 | T325-E327 PolarHBondContact O-N 2.82Å; T325-E327 PolarHBondContact OG1-N 2.68Å |
| 328 | F | 97.1 | Very high | 97.5 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | trans | -137.3 | 132 | -169.4 | -58.2 | -62.4 | 0 | 0 | 0 | 112.1 | R324 T325 E332 R333 | R324-F328 WeakPolarHBondContact CA-O 3.1Å; T325-F328 PolarHBondContact N-O 2.62Å; T325-F328 PolarHBondContact OG1-N 2.84Å; T325-F328 VanDerWaalsContact OG1-N 3.09Å; T325-F328 PolarHBondContact OG1-O 3.19Å; F328-E332 HydrophobicContact CB-CB 4.01Å; F328-E332 HydrophobicContact CD1-CB 4.29Å; F328-R333 HydrophobicContact CB-CG 3.82Å | ||
| 329 | S | 97.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | trans | -61.7 | 161 | 166.6 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | M331 E332 R333 | S329-M331 VanDerWaalsContact C-N 3.3Å; S329-M331 PolarHBondContact O-N 3.32Å; S329-E332 WeakPolarHBondContact CB-OE2 3.44Å; S329-E332 PolarHBondContact N-OE2 2.94Å; S329-E332 WeakPolarHBondContact O-CB 3.46Å; S329-E332 PolarHBondContact O-N 3.45Å; S329-E332 VanDerWaalsContact O-N 3.1Å; S329-E332 WeakPolarHBondContact OG-CB 3.37Å; S329-E332 VanDerWaalsContact OG-CD 3.31Å; S329-E332 VanDerWaalsContact OG-CG 3.22Å; S329-E332 WeakPolarHBondContact OG-CG 3.44Å; S329-E332 PolarHBondContact OG-N 2.74Å; S329-E332 PolarHBondContact OG-OE2 2.91Å; S329-R333 WeakPolarHBondContact O-CG 3.11Å; S329-R333 PolarHBondContact O-N 2.86Å | ||
| 330 | T | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -48.5 | -50 | 174.6 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | L318 V322 E332 R333 I334 | L318-T330 HydrophobicContact CD2-CG2 4.24Å; L318-T330 HydrophobicContact CG-CG2 3.94Å; V322-T330 HydrophobicContact CB-CG2 4.05Å; V322-T330 HydrophobicContact CG1-CG2 4.28Å; V322-T330 VanDerWaalsContact O-CB 3.3Å; V322-T330 WeakPolarHBondContact O-CB 3.06Å; V322-T330 WeakPolarHBondContact O-CG2 3.19Å; V322-T330 PolarHBondContact O-OG1 3.25Å; T330-E332 PolarHBondContact O-N 3.23Å; T330-R333 PolarHBondContact O-N 3.05Å; T330-I334 HydrophobicContact CG2-CD1 4.18Å; T330-I334 WeakPolarHBondContact O-CG1 3.32Å; T330-I334 PolarHBondContact O-N 2.77Å |
| 331 | M | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.054 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.1 | -29 | -178.7 | -68.8 | -55.4 | -60.8 | 0 | 0 | 113.6 | F79 V225 P229 L318 S329 I334 S335 | F79-M331 HydrophobicContact CE2-CG 3.72Å; F79-M331 HydrophobicContact CE2-SD 4Å; F79-M331 HydrophobicContact CZ-CE 4.38Å; F79-M331 HydrophobicContact CZ-CG 3.61Å; F79-M331 HydrophobicContact CZ-SD 3.73Å; V225-M331 WeakPolarHBondContact O-CE 3.46Å; P229-M331 HydrophobicContact CB-CB 3.96Å; L318-M331 HydrophobicContact CD2-SD 3.83Å; S329-M331 VanDerWaalsContact C-N 3.3Å; S329-M331 PolarHBondContact O-N 3.32Å; M331-I334 PolarHBondContact O-N 3.33Å; M331-I334 HydrophobicContact SD-CD1 3.87Å; M331-S335 WeakPolarHBondContact O-CB 3.39Å; M331-S335 PolarHBondContact O-N 3.46Å |
| 332 | E | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -41.9 | 172.1 | -76.4 | 168.7 | 129.6 | 0 | 0 | 111.8 | P229 F328 S329 T330 S335 R336 | P229-E332 HydrophobicContact CB-CG 4.11Å; P229-E332 HydrophobicContact CG-CG 3.65Å; F328-E332 HydrophobicContact CB-CB 4.01Å; F328-E332 HydrophobicContact CD1-CB 4.29Å; S329-E332 WeakPolarHBondContact CB-OE2 3.44Å; S329-E332 PolarHBondContact N-OE2 2.94Å; S329-E332 WeakPolarHBondContact O-CB 3.46Å; S329-E332 PolarHBondContact O-N 3.45Å; S329-E332 VanDerWaalsContact O-N 3.1Å; S329-E332 WeakPolarHBondContact OG-CB 3.37Å; S329-E332 VanDerWaalsContact OG-CD 3.31Å; S329-E332 VanDerWaalsContact OG-CG 3.22Å; S329-E332 WeakPolarHBondContact OG-CG 3.44Å; S329-E332 PolarHBondContact OG-N 2.74Å; S329-E332 PolarHBondContact OG-OE2 2.91Å; T330-E332 PolarHBondContact O-N 3.23Å; E332-S335 PolarHBondContact O-N 3.14Å; E332-R336 WeakPolarHBondContact O-CD 2.86Å; E332-R336 WeakPolarHBondContact O-CG 3.4Å; E332-R336 PolarHBondContact O-N 3.09Å |
| 333 | R | 98.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.038 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.9 | -64 | -175.8 | 72.6 | -163.2 | 0.3 | 111 | E7 F8 E12 V322 P323 F328 S329 T330 S335 R336 H337 | E7-R333 HydrophobicContact CG-CB 4.47Å; F8-R333 HydrophobicContact CE1-CB 4.29Å; E12-R333 IonicContact OE1-CZ 3.62Å; E12-R333 VanDerWaalsContact OE1-CZ 3.24Å; E12-R333 IonicContact OE1-NH1 3.82Å; E12-R333 PolarHBondContact OE1-NH1 3.14Å; E12-R333 IonicContact OE1-NH2 2.76Å; E12-R333 PolarHBondContact OE1-NH2 3.46Å; E12-R333 IonicContact OE2-NH2 2.88Å; E12-R333 PolarHBondContact OE2-NH2 3.41Å; V322-R333 HydrophobicContact CG1-CB 3.89Å; P323-R333 WeakPolarHBondContact O-CD 3.08Å; P323-R333 PolarHBondContact O-NH1 3.34Å; F328-R333 HydrophobicContact CB-CG 3.82Å; S329-R333 WeakPolarHBondContact O-CG 3.11Å; S329-R333 PolarHBondContact O-N 2.86Å; T330-R333 PolarHBondContact O-N 3.05Å; R333-S335 VanDerWaalsContact C-N 3.34Å; R333-S335 PolarHBondContact O-N 2.92Å; R333-R336 PolarHBondContact O-N 3.07Å; R333-H337 PolarHBondContact O-N 2.94Å |
| 334 | I | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 175.1 | -64.8 | 175 | 0 | 0 | 0 | 110.7 | T227 L318 V322 T330 M331 R336 H337 V338 Y461 | T227-I334 HydrophobicContact CG2-CG2 4.46Å; L318-I334 HydrophobicContact CD1-CD1 3.63Å; L318-I334 HydrophobicContact CD2-CD1 4.39Å; L318-I334 HydrophobicContact CG-CD1 4.2Å; V322-I334 HydrophobicContact CB-CD1 4.46Å; V322-I334 HydrophobicContact CB-CG1 4.32Å; V322-I334 HydrophobicContact CG1-CG1 3.93Å; V322-I334 HydrophobicContact CG2-CD1 4.39Å; V322-I334 HydrophobicContact CG2-CG1 4.21Å; T330-I334 HydrophobicContact CG2-CD1 4.18Å; T330-I334 WeakPolarHBondContact O-CG1 3.32Å; T330-I334 PolarHBondContact O-N 2.77Å; M331-I334 PolarHBondContact O-N 3.33Å; M331-I334 HydrophobicContact SD-CD1 3.87Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.22Å; I334-H337 PolarHBondContact O-N 3.06Å; I334-V338 HydrophobicContact CG2-CG1 4.3Å; I334-V338 WeakPolarHBondContact O-CG2 3.47Å; I334-V338 PolarHBondContact O-N 3.37Å; I334-Y461 HydrophobicContact CD1-CD1 4.21Å; I334-Y461 HydrophobicContact CD1-CG 4.45Å |
| 335 | S | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | T227 M331 E332 R333 F339 | T227-S335 WeakPolarHBondContact O-CA 3.25Å; T227-S335 VanDerWaalsContact O-CB 3.23Å; T227-S335 WeakPolarHBondContact O-CB 3.37Å; T227-S335 PolarHBondContact O-N 3.39Å; M331-S335 WeakPolarHBondContact O-CB 3.39Å; M331-S335 PolarHBondContact O-N 3.46Å; E332-S335 PolarHBondContact O-N 3.14Å; R333-S335 VanDerWaalsContact C-N 3.34Å; R333-S335 PolarHBondContact O-N 2.92Å; S335-F339 WeakPolarHBondContact O-CB 3.25Å; S335-F339 PolarHBondContact O-N 2.87Å |
| 336 | R | 97.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.9 | -44.4 | 178.2 | -69.8 | 164.4 | 60.5 | 80.2 | 23.6 | 111.3 | E7 E332 R333 I334 G340 K372 | E7-R336 HydrophobicContact CG-CB 4.09Å; E7-R336 WeakPolarHBondContact OE1-CD 3.41Å; E7-R336 IonicContact OE1-CZ 2.68Å; E7-R336 IonicContact OE1-NE 2.68Å; E7-R336 PolarHBondContact OE1-NE 3.45Å; E7-R336 IonicContact OE2-CZ 3.03Å; E7-R336 IonicContact OE2-NE 3.66Å; E7-R336 PolarHBondContact OE2-NE 3.21Å; E7-R336 IonicContact OE2-NH2 3.57Å; E7-R336 PolarHBondContact OE2-NH2 3.35Å; E332-R336 WeakPolarHBondContact O-CD 2.86Å; E332-R336 WeakPolarHBondContact O-CG 3.4Å; E332-R336 PolarHBondContact O-N 3.09Å; R333-R336 PolarHBondContact O-N 3.07Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.22Å; R336-G340 PolarHBondContact O-N 2.81Å; R336-K372 HydrophobicContact CG-CD 4.11Å |
| 337 | H | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -57 | 177.3 | -178.7 | 70.7 | 0 | 0 | 0 | 112.1 | Y4 E7 F8 R333 I334 F339 G340 L341 T463 | Y4-H337 PolarHBondContact OH-CE1 2.7Å; Y4-H337 PolarHBondContact OH-ND1 2.75Å; E7-H337 HydrophobicContact CB-CB 3.93Å; E7-H337 HydrophobicContact CG-CB 4.27Å; F8-H337 AromaticContact CD2-CE1 3.86Å; F8-H337 AromaticContact CD2-ND1 3.79Å; F8-H337 HydrophobicContact CE2-CB 3.96Å; F8-H337 AromaticContact CE2-CD2 3.62Å; F8-H337 AromaticContact CE2-CE1 3.79Å; F8-H337 AromaticContact CE2-CG 3.46Å; F8-H337 VanDerWaalsContact CE2-CG 3.46Å; F8-H337 AromaticContact CE2-ND1 3.62Å; F8-H337 AromaticContact CE2-NE2 3.8Å; F8-H337 HydrophobicContact CZ-CB 3.81Å; F8-H337 AromaticContact CZ-CG 3.86Å; R333-H337 PolarHBondContact O-N 2.94Å; I334-H337 PolarHBondContact O-N 3.06Å; H337-F339 VanDerWaalsContact C-N 3.3Å; H337-F339 PolarHBondContact O-N 3.49Å; H337-G340 PolarHBondContact O-N 2.87Å; H337-G340 VanDerWaalsContact O-N 3.09Å; H337-L341 WeakPolarHBondContact NE2-CD1 3.48Å; H337-L341 PolarHBondContact O-N 2.7Å; H337-T463 PolarHBondContact CE1-O 3.43Å; H337-T463 PolarHBondContact NE2-O 3.03Å |
| 338 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67 | -32.5 | -176.3 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | T227 I334 A342 G377 F459 | T227-V338 HydrophobicContact CG2-CG1 4.21Å; T227-V338 HydrophobicContact CG2-CG2 4.26Å; I334-V338 HydrophobicContact CG2-CG1 4.3Å; I334-V338 WeakPolarHBondContact O-CG2 3.47Å; I334-V338 PolarHBondContact O-N 3.37Å; V338-A342 VanDerWaalsContact O-CB 3.27Å; V338-A342 WeakPolarHBondContact O-CB 3.13Å; V338-A342 PolarHBondContact O-N 3.4Å; V338-G377 WeakPolarHBondContact O-CA 3.48Å; V338-F459 HydrophobicContact CB-CB 4.03Å; V338-F459 HydrophobicContact CG1-CB 4.09Å; V338-F459 WeakPolarHBondContact CG1-O 3.14Å |
| 339 | F | 98.1 | Very high | 98 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 11% | 0.105 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 172.4 | 176.2 | -92.4 | 0 | 0 | 0 | 111.4 | S335 H337 A342 K343 Y369 K372 Q375 | S335-F339 WeakPolarHBondContact O-CB 3.25Å; S335-F339 PolarHBondContact O-N 2.87Å; H337-F339 VanDerWaalsContact C-N 3.3Å; H337-F339 PolarHBondContact O-N 3.49Å; F339-A342 PolarHBondContact O-N 3.37Å; F339-K343 HydrophobicContact CE1-CD 4.41Å; F339-K343 VanDerWaalsContact O-CB 3.3Å; F339-K343 WeakPolarHBondContact O-CB 3.33Å; F339-K343 PolarHBondContact O-N 3.34Å; F339-Y369 AromaticContact CD2-CD1 3.68Å; F339-Y369 HydrophobicContact CD2-CD1 3.68Å; F339-Y369 HydrophobicContact CD2-CE1 4.2Å; F339-Y369 AromaticContact CE2-CD1 3.6Å; F339-Y369 HydrophobicContact CE2-CD1 3.6Å; F339-Y369 HydrophobicContact CE2-CE1 4.45Å; F339-Y369 HydrophobicContact CE2-CG 4.39Å; F339-Y369 HydrophobicContact CG-CD1 4.37Å; F339-Y369 VanDerWaalsContact CZ-C 3.47Å; F339-Y369 HydrophobicContact CZ-CD1 4.2Å; F339-Y369 WeakPolarHBondContact CZ-O 3.44Å; F339-K372 HydrophobicContact CB-CB 4.25Å; F339-K372 HydrophobicContact CD1-CB 4.07Å; F339-K372 HydrophobicContact CD2-CB 3.69Å; F339-K372 HydrophobicContact CE1-CB 4.31Å; F339-K372 VanDerWaalsContact CE2-CA 3.42Å; F339-K372 HydrophobicContact CE2-CB 3.94Å; F339-K372 HydrophobicContact CG-CB 3.74Å; F339-K372 HydrophobicContact CZ-CB 4.23Å; F339-Q375 VanDerWaalsContact CD2-O 3.32Å; F339-Q375 WeakPolarHBondContact CD2-O 3.37Å; F339-Q375 HydrophobicContact CE2-CB 4.28Å |
| 340 | G | 97.8 | Very high | 98 | Very high | 19 Ų | 19 | 24.5 Ų | 24.5 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R336 H337 Y344 | R336-G340 PolarHBondContact O-N 2.81Å; H337-G340 PolarHBondContact O-N 2.87Å; H337-G340 VanDerWaalsContact O-N 3.09Å; G340-Y344 WeakPolarHBondContact O-CB 3.34Å; G340-Y344 PolarHBondContact O-N 2.94Å |
| 341 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 175.5 | -70 | 173.7 | 0 | 0 | 0 | 111.9 | Y4 H337 Y344 L345 F459 T463 I465 V468 | Y4-L341 HydrophobicContact CE2-CD2 3.7Å; Y4-L341 HydrophobicContact CE2-CG 4.06Å; H337-L341 WeakPolarHBondContact NE2-CD1 3.48Å; H337-L341 PolarHBondContact O-N 2.7Å; L341-Y344 PolarHBondContact O-N 2.82Å; L341-L345 PolarHBondContact O-N 2.76Å; L341-F459 HydrophobicContact CB-CB 4.47Å; L341-F459 HydrophobicContact CB-CD1 4.13Å; L341-F459 HydrophobicContact CB-CD2 4.12Å; L341-F459 HydrophobicContact CB-CE1 4.41Å; L341-F459 HydrophobicContact CB-CE2 4.43Å; L341-F459 HydrophobicContact CB-CG 3.95Å; L341-F459 HydrophobicContact CD1-CB 4.05Å; L341-F459 HydrophobicContact CD1-CD1 4.18Å; L341-F459 HydrophobicContact CD1-CG 4.19Å; L341-T463 HydrophobicContact CD1-CG2 4.19Å; L341-T463 WeakPolarHBondContact CD1-O 3.22Å; L341-I465 HydrophobicContact CD2-CB 4.49Å; L341-V468 HydrophobicContact CB-CG2 4.44Å; L341-V468 HydrophobicContact CD2-CG2 4Å |
| 342 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V338 F339 L345 E346 Y369 V379 F459 | V338-A342 VanDerWaalsContact O-CB 3.27Å; V338-A342 WeakPolarHBondContact O-CB 3.13Å; V338-A342 PolarHBondContact O-N 3.4Å; F339-A342 PolarHBondContact O-N 3.37Å; A342-L345 PolarHBondContact O-N 3.26Å; A342-E346 WeakPolarHBondContact O-CB 3.25Å; A342-E346 PolarHBondContact O-N 2.85Å; A342-Y369 HydrophobicContact CB-CD1 4.24Å; A342-Y369 HydrophobicContact CB-CE1 3.35Å; A342-Y369 HydrophobicContact CB-CE2 4.3Å; A342-Y369 VanDerWaalsContact CB-CZ 3.41Å; A342-Y369 WeakPolarHBondContact CB-OH 3.2Å; A342-V379 HydrophobicContact CB-CG2 3.93Å; A342-V379 WeakPolarHBondContact O-CG2 3.49Å; A342-F459 HydrophobicContact CB-CD2 3.73Å; A342-F459 HydrophobicContact CB-CE2 3.52Å |
| 343 | K | 98 | Very high | 97.9 | Very high | 65 Ų | 65 | 28.9 Ų | 28.9 | 28% | 0.283 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 169.9 | -177.7 | 170.6 | -176 | 161.6 | 0 | 111.5 | F339 L345 E346 D347 Y369 | F339-K343 HydrophobicContact CE1-CD 4.41Å; F339-K343 VanDerWaalsContact O-CB 3.3Å; F339-K343 WeakPolarHBondContact O-CB 3.33Å; F339-K343 PolarHBondContact O-N 3.34Å; K343-L345 PolarHBondContact O-N 3.33Å; K343-E346 PolarHBondContact O-N 3.36Å; K343-D347 WeakPolarHBondContact O-CB 3.42Å; K343-D347 VanDerWaalsContact O-CG 3.27Å; K343-D347 PolarHBondContact O-N 3.18Å; K343-Y369 HydrophobicContact CB-CD1 4.1Å; K343-Y369 HydrophobicContact CB-CG 3.86Å; K343-Y369 WeakPolarHBondContact CD-O 3.17Å; K343-Y369 HydrophobicContact CG-CG 4.38Å; K343-Y369 PolarHBondContact NZ-O 2.98Å |
| 344 | Y | 98.1 | Very high | 97.8 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 179.2 | 173.8 | -104.2 | 0 | 0 | 0 | 111.3 | G340 L341 E346 D347 Q348 I465 V468 D469 L472 | G340-Y344 WeakPolarHBondContact O-CB 3.34Å; G340-Y344 PolarHBondContact O-N 2.94Å; L341-Y344 PolarHBondContact O-N 2.82Å; Y344-E346 PolarHBondContact O-N 2.74Å; Y344-D347 PolarHBondContact O-N 3Å; Y344-Q348 HydrophobicContact CD2-CG 4.23Å; Y344-Q348 HydrophobicContact CE1-CG 4.16Å; Y344-Q348 HydrophobicContact CE2-CG 3.85Å; Y344-Q348 VanDerWaalsContact O-CG 3.24Å; Y344-Q348 WeakPolarHBondContact O-CG 3.18Å; Y344-Q348 PolarHBondContact O-N 3.3Å; Y344-I465 HydrophobicContact CD1-CD1 4.24Å; Y344-I465 HydrophobicContact CD1-CG1 3.96Å; Y344-I465 HydrophobicContact CE1-CD1 3.86Å; Y344-I465 HydrophobicContact CE1-CG1 3.63Å; Y344-I465 HydrophobicContact CE2-CD1 4.24Å; Y344-V468 HydrophobicContact CD1-CB 4.31Å; Y344-V468 HydrophobicContact CD1-CG1 3.81Å; Y344-V468 HydrophobicContact CE1-CB 4.38Å; Y344-V468 HydrophobicContact CE1-CG1 4.02Å; Y344-D469 WeakPolarHBondContact CE1-OD1 3.36Å; Y344-D469 PolarHBondContact OH-OD1 3.04Å; Y344-L472 HydrophobicContact CE1-CD1 4.26Å |
| 345 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 176.1 | 177 | 58.8 | 0 | 0 | 0 | 111.4 | L341 A342 K343 D347 Q348 L349 V379 V457 F459 V468 L471 L472 | L341-L345 PolarHBondContact O-N 2.76Å; A342-L345 PolarHBondContact O-N 3.26Å; K343-L345 PolarHBondContact O-N 3.33Å; L345-D347 VanDerWaalsContact C-N 3.35Å; L345-D347 PolarHBondContact O-N 3.5Å; L345-Q348 PolarHBondContact O-N 3.3Å; L345-L349 HydrophobicContact CD1-CD1 3.88Å; L345-L349 HydrophobicContact CD1-CD2 4.23Å; L345-L349 HydrophobicContact CD1-CG 3.74Å; L345-L349 HydrophobicContact CD2-CD1 4.33Å; L345-L349 HydrophobicContact CG-CD1 3.79Å; L345-L349 HydrophobicContact CG-CG 4.1Å; L345-L349 WeakPolarHBondContact O-CB 3.13Å; L345-L349 VanDerWaalsContact O-CG 3.28Å; L345-L349 WeakPolarHBondContact O-CG 3.27Å; L345-L349 PolarHBondContact O-N 3.21Å; L345-V379 HydrophobicContact CB-CG2 4.34Å; L345-V379 HydrophobicContact CD2-CB 3.97Å; L345-V379 HydrophobicContact CD2-CG1 4.26Å; L345-V379 HydrophobicContact CD2-CG2 4.01Å; L345-V379 HydrophobicContact CG-CG1 4.5Å; L345-V379 HydrophobicContact CG-CG2 4.34Å; L345-V457 HydrophobicContact CD2-CB 4.01Å; L345-V457 HydrophobicContact CD2-CG1 3.62Å; L345-V457 HydrophobicContact CD2-CG2 4.35Å; L345-F459 HydrophobicContact CB-CZ 4.15Å; L345-F459 HydrophobicContact CD2-CE2 4.46Å; L345-F459 HydrophobicContact CD2-CZ 3.69Å; L345-V468 HydrophobicContact CB-CG1 3.67Å; L345-V468 HydrophobicContact CD1-CG1 3.82Å; L345-V468 HydrophobicContact CG-CG1 4.22Å; L345-L471 HydrophobicContact CD1-CD2 4.06Å; L345-L471 HydrophobicContact CD2-CD2 3.92Å; L345-L472 HydrophobicContact CD1-CD1 4.45Å; L345-L472 HydrophobicContact CD1-CD2 3.78Å; L345-L472 HydrophobicContact CD1-CG 3.94Å |
| 346 | E | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -44.6 | -178.4 | -173 | 175.4 | 127 | 0 | 0 | 111.6 | A342 K343 Y344 Q348 L349 R350 L363 N365 Y369 | A342-E346 WeakPolarHBondContact O-CB 3.25Å; A342-E346 PolarHBondContact O-N 2.85Å; K343-E346 PolarHBondContact O-N 3.36Å; Y344-E346 PolarHBondContact O-N 2.74Å; E346-Q348 VanDerWaalsContact C-N 3.3Å; E346-Q348 PolarHBondContact O-N 2.97Å; E346-L349 PolarHBondContact O-N 2.77Å; E346-R350 HydrophobicContact CG-CG 4.48Å; E346-R350 VanDerWaalsContact O-CG 3.29Å; E346-R350 WeakPolarHBondContact O-CG 3.45Å; E346-R350 PolarHBondContact O-N 2.59Å; E346-R350 IonicContact OE1-CZ 3.59Å; E346-R350 VanDerWaalsContact OE1-CZ 3.27Å; E346-R350 IonicContact OE1-NE 3.66Å; E346-R350 PolarHBondContact OE1-NE 2.85Å; E346-R350 IonicContact OE1-NH2 3.57Å; E346-R350 PolarHBondContact OE1-NH2 3Å; E346-L363 HydrophobicContact CG-CD1 3.77Å; E346-L363 HydrophobicContact CG-CD2 4.09Å; E346-N365 PolarHBondContact OE2-ND2 2.84Å; E346-Y369 HydrophobicContact CB-CD2 3.85Å; E346-Y369 HydrophobicContact CB-CE2 3.87Å; E346-Y369 HydrophobicContact CG-CD2 4.32Å; E346-Y369 HydrophobicContact CG-CE2 4.41Å; E346-Y369 VanDerWaalsContact OE2-CD2 3.29Å; E346-Y369 WeakPolarHBondContact OE2-CD2 3.48Å; E346-Y369 WeakPolarHBondContact OE2-CE2 3.34Å |
| 347 | D | 97.3 | Very high | 97 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 177.7 | -71.4 | -18.2 | 0 | 0 | 0 | 112.3 | T2 K343 Y344 L345 Q351 | T2-D347 WeakPolarHBondContact CB-OD2 3.39Å; T2-D347 VanDerWaalsContact CG2-OD2 3.25Å; T2-D347 WeakPolarHBondContact CG2-OD2 3.32Å; T2-D347 WeakPolarHBondContact OG1-CB 3.28Å; T2-D347 PolarHBondContact OG1-OD2 2.89Å; K343-D347 WeakPolarHBondContact O-CB 3.42Å; K343-D347 VanDerWaalsContact O-CG 3.27Å; K343-D347 PolarHBondContact O-N 3.18Å; Y344-D347 PolarHBondContact O-N 3Å; L345-D347 VanDerWaalsContact C-N 3.35Å; L345-D347 PolarHBondContact O-N 3.5Å; D347-Q351 WeakPolarHBondContact O-CG 3.3Å; D347-Q351 PolarHBondContact O-NE2 3.01Å |
| 348 | Q | 97.7 | Very high | 96.8 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.2 | -43 | 176.2 | -68.7 | -63.4 | -45.5 | 0 | 0 | 111.5 | Y344 L345 E346 R350 Q351 L352 L472 | Y344-Q348 HydrophobicContact CD2-CG 4.23Å; Y344-Q348 HydrophobicContact CE1-CG 4.16Å; Y344-Q348 HydrophobicContact CE2-CG 3.85Å; Y344-Q348 VanDerWaalsContact O-CG 3.24Å; Y344-Q348 WeakPolarHBondContact O-CG 3.18Å; Y344-Q348 PolarHBondContact O-N 3.3Å; L345-Q348 PolarHBondContact O-N 3.3Å; E346-Q348 VanDerWaalsContact C-N 3.3Å; E346-Q348 PolarHBondContact O-N 2.97Å; Q348-R350 VanDerWaalsContact C-N 3.31Å; Q348-R350 PolarHBondContact O-N 3.22Å; Q348-Q351 WeakPolarHBondContact O-CB 3.4Å; Q348-Q351 PolarHBondContact O-N 3.37Å; Q348-L352 WeakPolarHBondContact O-CG 3.34Å; Q348-L352 PolarHBondContact O-N 3.25Å; Q348-L472 HydrophobicContact CB-CD1 3.5Å; Q348-L472 HydrophobicContact CB-CD2 3.66Å; Q348-L472 HydrophobicContact CB-CG 4.25Å; Q348-L472 HydrophobicContact CG-CD1 3.69Å |
| 349 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 176.2 | -75.7 | 179.4 | 0 | 0 | 0 | 112 | L345 E346 Q351 L352 V361 L363 V379 F381 L472 L475 | L345-L349 HydrophobicContact CD1-CD1 3.88Å; L345-L349 HydrophobicContact CD1-CD2 4.23Å; L345-L349 HydrophobicContact CD1-CG 3.74Å; L345-L349 HydrophobicContact CD2-CD1 4.33Å; L345-L349 HydrophobicContact CG-CD1 3.79Å; L345-L349 HydrophobicContact CG-CG 4.1Å; L345-L349 WeakPolarHBondContact O-CB 3.13Å; L345-L349 VanDerWaalsContact O-CG 3.28Å; L345-L349 WeakPolarHBondContact O-CG 3.27Å; L345-L349 PolarHBondContact O-N 3.21Å; E346-L349 PolarHBondContact O-N 2.77Å; L349-Q351 PolarHBondContact O-N 2.98Å; L349-L352 HydrophobicContact CD2-CD1 4.03Å; L349-L352 WeakPolarHBondContact O-CB 3.21Å; L349-L352 PolarHBondContact O-N 3.14Å; L349-L352 VanDerWaalsContact O-N 3.09Å; L349-V361 HydrophobicContact CB-CG2 3.92Å; L349-V361 HydrophobicContact CD2-CG1 4.29Å; L349-V361 HydrophobicContact CD2-CG2 4.45Å; L349-L363 HydrophobicContact CB-CD2 4.39Å; L349-L363 HydrophobicContact CD1-CD2 3.98Å; L349-V379 HydrophobicContact CD1-CG1 3.89Å; L349-F381 HydrophobicContact CD1-CD1 4.04Å; L349-F381 HydrophobicContact CD1-CE1 4.14Å; L349-F381 HydrophobicContact CD1-CG 4.48Å; L349-L472 HydrophobicContact CD2-CD2 3.98Å; L349-L472 HydrophobicContact CG-CD2 4.3Å; L349-L475 HydrophobicContact CD2-CD1 3.43Å; L349-L475 VanDerWaalsContact CD2-CD1 3.43Å |
| 350 | R | 97 | Very high | 96.7 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.8 | 174.9 | -73.9 | 177.5 | -176.8 | -73.5 | -0.2 | 113.4 | E346 Q348 H353 L363 | E346-R350 HydrophobicContact CG-CG 4.48Å; E346-R350 VanDerWaalsContact O-CG 3.29Å; E346-R350 WeakPolarHBondContact O-CG 3.45Å; E346-R350 PolarHBondContact O-N 2.59Å; E346-R350 IonicContact OE1-CZ 3.59Å; E346-R350 VanDerWaalsContact OE1-CZ 3.27Å; E346-R350 IonicContact OE1-NE 3.66Å; E346-R350 PolarHBondContact OE1-NE 2.85Å; E346-R350 IonicContact OE1-NH2 3.57Å; E346-R350 PolarHBondContact OE1-NH2 3Å; Q348-R350 VanDerWaalsContact C-N 3.31Å; Q348-R350 PolarHBondContact O-N 3.22Å; R350-H353 PolarHBondContact O-CE1 3.42Å; R350-L363 HydrophobicContact CG-CD1 3.42Å; R350-L363 VanDerWaalsContact CG-CD1 3.42Å |
| 351 | Q | 96.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 41.8 Ų | 41.8 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -13.7 | 177.9 | -69.3 | 164.5 | 55.2 | 0 | 0 | 112.7 | D347 Q348 L349 H353 | D347-Q351 WeakPolarHBondContact O-CG 3.3Å; D347-Q351 PolarHBondContact O-NE2 3.01Å; Q348-Q351 WeakPolarHBondContact O-CB 3.4Å; Q348-Q351 PolarHBondContact O-N 3.37Å; L349-Q351 PolarHBondContact O-N 2.98Å; Q351-H353 PolarHBondContact O-N 2.76Å; Q351-H353 PolarHBondContact O-ND1 3.46Å |
| 352 | L | 97.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | trans | -79.2 | 111.4 | -179.1 | -57.6 | -174.5 | 0 | 0 | 0 | 110.4 | Q348 L349 L360 L472 L475 R476 L480 | Q348-L352 WeakPolarHBondContact O-CG 3.34Å; Q348-L352 PolarHBondContact O-N 3.25Å; L349-L352 HydrophobicContact CD2-CD1 4.03Å; L349-L352 WeakPolarHBondContact O-CB 3.21Å; L349-L352 PolarHBondContact O-N 3.14Å; L349-L352 VanDerWaalsContact O-N 3.09Å; L352-L360 HydrophobicContact CB-CB 3.79Å; L352-L360 HydrophobicContact CB-CD2 3.81Å; L352-L360 HydrophobicContact CB-CG 4.43Å; L352-L360 HydrophobicContact CD1-CD2 3.71Å; L352-L360 HydrophobicContact CG-CD2 4.38Å; L352-L360 WeakPolarHBondContact O-CB 3.42Å; L352-L360 PolarHBondContact O-N 3.33Å; L352-L472 HydrophobicContact CD1-CD2 4.24Å; L352-L475 HydrophobicContact CD1-CB 4.35Å; L352-R476 HydrophobicContact CD2-CG 3.9Å; L352-L480 HydrophobicContact CB-CD1 4.34Å; L352-L480 HydrophobicContact CD2-CD1 4.28Å | ||
| 353 | H | 97.5 | Very high | 96.7 | Very high | 91 Ų | 91 | 47.4 Ų | 47.4 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -126.2 | 146.4 | 177 | -60.9 | 81.9 | 0 | 0 | 0 | 110.2 | R350 Q351 G357 E358 L480 | R350-H353 PolarHBondContact O-CE1 3.42Å; Q351-H353 PolarHBondContact O-N 2.76Å; Q351-H353 PolarHBondContact O-ND1 3.46Å; H353-G357 PolarHBondContact CD2-O 2.9Å; H353-E358 CarbonylContact C-O 3.54Å; H353-E358 WeakPolarHBondContact CA-O 3.36Å; H353-L480 WeakPolarHBondContact O-CD2 3.15Å |
| 354 | H | 95.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | trans | -65 | 160 | 166.1 | -70.8 | -69.3 | 0 | 0 | 0 | 110.5 | N356 G357 E358 R384 E386 | H354-N356 VanDerWaalsContact CB-OD1 3.25Å; H354-N356 WeakPolarHBondContact CB-OD1 3.49Å; H354-N356 PolarHBondContact O-N 2.9Å; H354-G357 PolarHBondContact O-N 3.2Å; H354-E358 PolarHBondContact N-O 2.65Å; H354-R384 PolarHBondContact NE2-O 3.38Å; H354-E386 HydrophobicContact CB-CB 4.27Å | ||
| 355 | P | 91.8 | Very high | 96.6 | Very high | 126 Ų | 126 | 44.9 Ų | 44.9 | 82% | 0.818 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.3 | 179.9 | -27.8 | 36 | 0 | 0 | 0 | 115 | G357 | P355-G357 VanDerWaalsContact C-N 3.31Š|
| 356 | N | 91.7 | Very high | 96.2 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.2 | 176.4 | 67.8 | -7.5 | 0 | 0 | 0 | 114.1 | H354 E358 E386 | H354-N356 VanDerWaalsContact CB-OD1 3.25Å; H354-N356 WeakPolarHBondContact CB-OD1 3.49Å; H354-N356 PolarHBondContact O-N 2.9Å; N356-E358 WeakPolarHBondContact OD1-CB 3.3Å; N356-E358 PolarHBondContact OD1-N 2.81Å; N356-E358 VanDerWaalsContact OD1-N 3.08Å; N356-E386 PolarHBondContact ND2-O 3.03Å |
| 357 | G | 94.4 | Very high | 96 | Very high | 47 Ų | 47 | 50 Ų | 50 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 89.9 | -4.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H353 H354 P355 | H353-G357 PolarHBondContact CD2-O 2.9Å; H354-G357 PolarHBondContact O-N 3.2Å; P355-G357 VanDerWaalsContact C-N 3.31Å |
| 358 | E | 94.5 | Very high | 95.9 | Very high | 73 Ų | 73 | 49 Ų | 49 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | trans | -67.1 | 136.6 | 173.6 | -79.5 | -65.2 | 130.3 | 0 | 0 | 110.6 | H353 H354 N356 R384 | H353-E358 CarbonylContact C-O 3.54Å; H353-E358 WeakPolarHBondContact CA-O 3.36Å; H354-E358 PolarHBondContact N-O 2.65Å; N356-E358 WeakPolarHBondContact OD1-CB 3.3Å; N356-E358 PolarHBondContact OD1-N 2.81Å; N356-E358 VanDerWaalsContact OD1-N 3.08Å; E358-R384 IonicContact OE2-CZ 3.6Å; E358-R384 IonicContact OE2-NH1 3.98Å; E358-R384 PolarHBondContact OE2-NH1 3.03Å; E358-R384 IonicContact OE2-NH2 2.69Å; E358-R384 PolarHBondContact OE2-NH2 3.32Å | ||
| 359 | P | 97.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -67.8 | 138.5 | 178.8 | 27.1 | -33.5 | 0 | 0 | 0 | 110.9 | V361 | P359-V361 VanDerWaalsContact C-N 3.26Å; P359-V361 PolarHBondContact O-N 2.91Å |
| 360 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65.3 | -30.3 | 179.6 | 177.4 | 62.3 | 0 | 0 | 0 | 112.4 | L352 V383 R384 L475 L480 | L352-L360 HydrophobicContact CB-CB 3.79Å; L352-L360 HydrophobicContact CB-CD2 3.81Å; L352-L360 HydrophobicContact CB-CG 4.43Å; L352-L360 HydrophobicContact CD1-CD2 3.71Å; L352-L360 HydrophobicContact CG-CD2 4.38Å; L352-L360 WeakPolarHBondContact O-CB 3.42Å; L352-L360 PolarHBondContact O-N 3.33Å; L360-V383 HydrophobicContact CD1-CG1 3.87Å; L360-V383 HydrophobicContact CG-CG1 4.4Å; L360-V383 CarbonylContact O-C 3.58Å; L360-V383 WeakPolarHBondContact O-CA 3.09Å; L360-R384 PolarHBondContact O-N 2.94Å; L360-L475 HydrophobicContact CD2-CB 4.33Å; L360-L480 HydrophobicContact CB-CD2 4.29Å; L360-L480 HydrophobicContact CD1-CD2 3.97Å; L360-L480 HydrophobicContact CD1-CG 4.42Å; L360-L480 HydrophobicContact CD2-CD1 4.16Å; L360-L480 HydrophobicContact CD2-CD2 4.16Å; L360-L480 HydrophobicContact CD2-CG 3.94Å; L360-L480 HydrophobicContact CG-CD2 4.35Å |
| 361 | V | 98.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.2 | -175.6 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | L349 P359 L363 F381 N382 V383 | L349-V361 HydrophobicContact CB-CG2 3.92Å; L349-V361 HydrophobicContact CD2-CG1 4.29Å; L349-V361 HydrophobicContact CD2-CG2 4.45Å; P359-V361 VanDerWaalsContact C-N 3.26Å; P359-V361 PolarHBondContact O-N 2.91Å; V361-L363 HydrophobicContact CG2-CD2 4.37Å; V361-L363 HydrophobicContact CG2-CG 4.11Å; V361-F381 HydrophobicContact CB-CB 4.36Å; V361-F381 HydrophobicContact CB-CD2 4.05Å; V361-F381 HydrophobicContact CG1-CD2 3.71Å; V361-F381 HydrophobicContact CG1-CE2 4.1Å; V361-N382 CarbonylContact C-O 3.53Å; V361-N382 VanDerWaalsContact CA-O 3.25Å; V361-N382 WeakPolarHBondContact CA-O 3.49Å; V361-V383 HydrophobicContact CG1-CG2 4.36Å |
| 362 | K | 97.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 113.8 | 163.1 | -175.7 | 177 | -179.2 | -173.8 | 0 | 108.4 | Y364 F381 N382 F390 | K362-Y364 HydrophobicContact CD-CE1 3.87Å; K362-Y364 HydrophobicContact CG-CE1 3.9Å; K362-F381 CarbonylContact O-C 3.54Å; K362-F381 WeakPolarHBondContact O-CA 3.25Å; K362-F381 VanDerWaalsContact O-CB 3.27Å; K362-F381 WeakPolarHBondContact O-CB 3.04Å; K362-N382 PolarHBondContact N-O 2.79Å; K362-N382 PolarHBondContact O-N 2.97Å; K362-F390 HydrophobicContact CB-CE1 4.03Å; K362-F390 HydrophobicContact CD-CE1 3.86Å; K362-F390 HydrophobicContact CD-CZ 3.68Å |
| 363 | L | 98.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 141.3 | 179.7 | -69.9 | 159.8 | 0 | 0 | 0 | 111.5 | E346 L349 R350 V361 V379 F381 | E346-L363 HydrophobicContact CG-CD1 3.77Å; E346-L363 HydrophobicContact CG-CD2 4.09Å; L349-L363 HydrophobicContact CB-CD2 4.39Å; L349-L363 HydrophobicContact CD1-CD2 3.98Å; R350-L363 HydrophobicContact CG-CD1 3.42Å; R350-L363 VanDerWaalsContact CG-CD1 3.42Å; V361-L363 HydrophobicContact CG2-CD2 4.37Å; V361-L363 HydrophobicContact CG2-CG 4.11Å; L363-V379 HydrophobicContact CD2-CG1 3.94Å; L363-F381 HydrophobicContact CD2-CB 4.16Å |
| 364 | Y | 97.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | trans | -111.1 | 79.2 | 176.5 | -57.5 | -49.8 | 0 | 0 | 0 | 110.4 | F175 K362 A380 N382 Y421 L422 A454 | F175-Y364 HydrophobicContact CE1-CD2 4.01Å; F175-Y364 HydrophobicContact CE1-CG 4.23Å; F175-Y364 HydrophobicContact CZ-CD2 4.17Å; K362-Y364 HydrophobicContact CD-CE1 3.87Å; K362-Y364 HydrophobicContact CG-CE1 3.9Å; Y364-A380 HydrophobicContact CD2-CB 4.28Å; Y364-A380 PolarHBondContact N-O 3.14Å; Y364-N382 HydrophobicContact CE2-CB 4.5Å; Y364-N382 WeakPolarHBondContact CE2-ND2 3.28Å; Y364-N382 PolarHBondContact OH-ND2 2.81Å; Y364-Y421 HydrophobicContact CD1-CD1 4.22Å; Y364-Y421 HydrophobicContact CD1-CG 4.38Å; Y364-Y421 WeakPolarHBondContact CE1-O 3.43Å; Y364-Y421 HydrophobicContact CG-CD1 4.27Å; Y364-Y421 HydrophobicContact CG-CG 4.28Å; Y364-L422 HydrophobicContact CE1-CD2 4.04Å; Y364-L422 HydrophobicContact CE2-CD2 3.71Å; Y364-L422 WeakPolarHBondContact OH-CD2 3.32Å; Y364-A454 HydrophobicContact CD2-CB 3.91Å; Y364-A454 HydrophobicContact CE2-CB 3.68Å | ||
| 365 | N | 95.7 | Very high | 95.5 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | trans | -139.5 | 128 | 178.9 | -171.8 | -25 | 0 | 0 | 0 | 109.6 | E346 V367 G368 Y369 | E346-N365 PolarHBondContact OE2-ND2 2.84Å; N365-V367 PolarHBondContact OD1-N 3.13Å; N365-G368 WeakPolarHBondContact ND2-CA 3.46Å; N365-G368 WeakPolarHBondContact OD1-CA 3.41Å; N365-G368 PolarHBondContact OD1-N 2.85Å; N365-Y369 WeakPolarHBondContact ND2-CE2 3.5Å | ||
| 366 | K | 89.6 | Confident | 95.7 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -82.4 | -39.8 | -179.7 | -77 | 176.6 | 174.1 | -169.9 | 0 | 113.8 | E119 E141 Y420 Y421 | E119-K366 IonicContact OE1-NZ 2.65Å; E119-K366 PolarHBondContact OE1-NZ 2.83Å; E119-K366 IonicContact OE2-NZ 3.34Å; E141-K366 IonicContact OE2-NZ 3.74Å; E141-K366 PolarHBondContact OE2-NZ 3.03Å; K366-Y420 HydrophobicContact CD-CE1 4.37Å; K366-Y420 VanDerWaalsContact CE-CZ 3.47Å; K366-Y420 HydrophobicContact CG-CE1 4.49Å; K366-Y421 VanDerWaalsContact CD-OH 3.32Å; K366-Y421 WeakPolarHBondContact CD-OH 3.29Å; K366-Y421 WeakPolarHBondContact CE-OH 3.28Å; K366-Y421 HydrophobicContact CG-CE1 3.94Å; K366-Y421 WeakPolarHBondContact CG-OH 3.41Å |
| 367 | V | 93.9 | Very high | 96 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -118.7 | -6.8 | -166.3 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | Y178 N365 R374 Q375 | Y178-V367 HydrophobicContact CD2-CG1 4.06Å; Y178-V367 HydrophobicContact CD2-CG2 3.86Å; Y178-V367 HydrophobicContact CE2-CG1 3.62Å; Y178-V367 HydrophobicContact CE2-CG2 4.12Å; N365-V367 PolarHBondContact OD1-N 3.13Å; V367-R374 HydrophobicContact CG2-CB 4.19Å; V367-Q375 HydrophobicContact CG2-CB 4.15Å |
| 368 | G | 95.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | trans | 67.8 | -171.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N365 | N365-G368 WeakPolarHBondContact ND2-CA 3.46Å; N365-G368 WeakPolarHBondContact OD1-CA 3.41Å; N365-G368 PolarHBondContact OD1-N 2.85Å | ||
| 369 | Y | 96 | Very high | 96.4 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -102.8 | 54.1 | 179 | -75.3 | -82.2 | 0 | 0 | 0 | 112.1 | F339 A342 K343 E346 N365 Q375 G376 I378 V379 | F339-Y369 AromaticContact CD2-CD1 3.68Å; F339-Y369 HydrophobicContact CD2-CD1 3.68Å; F339-Y369 HydrophobicContact CD2-CE1 4.2Å; F339-Y369 AromaticContact CE2-CD1 3.6Å; F339-Y369 HydrophobicContact CE2-CD1 3.6Å; F339-Y369 HydrophobicContact CE2-CE1 4.45Å; F339-Y369 HydrophobicContact CE2-CG 4.39Å; F339-Y369 HydrophobicContact CG-CD1 4.37Å; F339-Y369 VanDerWaalsContact CZ-C 3.47Å; F339-Y369 HydrophobicContact CZ-CD1 4.2Å; F339-Y369 WeakPolarHBondContact CZ-O 3.44Å; A342-Y369 HydrophobicContact CB-CD1 4.24Å; A342-Y369 HydrophobicContact CB-CE1 3.35Å; A342-Y369 HydrophobicContact CB-CE2 4.3Å; A342-Y369 VanDerWaalsContact CB-CZ 3.41Å; A342-Y369 WeakPolarHBondContact CB-OH 3.2Å; K343-Y369 HydrophobicContact CB-CD1 4.1Å; K343-Y369 HydrophobicContact CB-CG 3.86Å; K343-Y369 WeakPolarHBondContact CD-O 3.17Å; K343-Y369 HydrophobicContact CG-CG 4.38Å; K343-Y369 PolarHBondContact NZ-O 2.98Å; E346-Y369 HydrophobicContact CB-CD2 3.85Å; E346-Y369 HydrophobicContact CB-CE2 3.87Å; E346-Y369 HydrophobicContact CG-CD2 4.32Å; E346-Y369 HydrophobicContact CG-CE2 4.41Å; E346-Y369 VanDerWaalsContact OE2-CD2 3.29Å; E346-Y369 WeakPolarHBondContact OE2-CD2 3.48Å; E346-Y369 WeakPolarHBondContact OE2-CE2 3.34Å; N365-Y369 WeakPolarHBondContact ND2-CE2 3.5Å; Y369-Q375 HydrophobicContact CD1-CG 3.76Å; Y369-Q375 HydrophobicContact CE1-CG 3.4Å; Y369-Q375 VanDerWaalsContact CE1-CG 3.4Å; Y369-Q375 HydrophobicContact CE2-CG 4.37Å; Y369-Q375 HydrophobicContact CG-CG 4.35Å; Y369-Q375 PolarHBondContact OH-NE2 3.28Å; Y369-G376 VanDerWaalsContact CE1-O 3.27Å; Y369-G376 WeakPolarHBondContact CE1-O 3.43Å; Y369-G376 PolarHBondContact OH-O 3.38Å; Y369-I378 PolarHBondContact OH-O 2.95Å; Y369-V379 HydrophobicContact CE2-CG2 4.17Å |
| 370 | Q | 94.3 | Very high | 96.5 | Very high | 158 Ų | 158 | 36.2 Ų | 36.2 | 74% | 0.738 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -97.3 | -35.9 | 176.1 | -56.3 | -53.7 | -25.9 | 0 | 0 | 112.6 | ||
| 371 | D | 95.8 | Very high | 96.5 | Very high | 73 Ų | 73 | 36.2 Ų | 36.2 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | trans | -131.6 | 117 | -178.1 | -176.3 | -1.3 | 0 | 0 | 0 | 111.2 | S373 R374 Q375 | D371-S373 PolarHBondContact O-N 3.08Å; D371-S373 VanDerWaalsContact OD1-CB 3.3Å; D371-S373 WeakPolarHBondContact OD1-CB 3.34Å; D371-S373 PolarHBondContact OD1-N 2.86Å; D371-S373 PolarHBondContact OD1-OG 2.88Å; D371-S373 PolarHBondContact OD2-OG 3.24Å; D371-R374 HydrophobicContact CB-CB 4.29Å; D371-R374 HydrophobicContact CB-CG 4.17Å; D371-R374 PolarHBondContact O-N 3.12Å; D371-Q375 PolarHBondContact O-N 2.76Å; D371-Q375 VanDerWaalsContact O-N 3.08Å | ||
| 372 | K | 95.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 33% | 0.326 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.4 | 177.9 | 69.2 | -176.9 | -179.4 | -175.6 | 0 | 113.7 | K179 R336 F339 R374 Q375 | K179-K372 PolarHBondContact NZ-O 3.16Å; R336-K372 HydrophobicContact CG-CD 4.11Å; F339-K372 HydrophobicContact CB-CB 4.25Å; F339-K372 HydrophobicContact CD1-CB 4.07Å; F339-K372 HydrophobicContact CD2-CB 3.69Å; F339-K372 HydrophobicContact CE1-CB 4.31Å; F339-K372 VanDerWaalsContact CE2-CA 3.42Å; F339-K372 HydrophobicContact CE2-CB 3.94Å; F339-K372 HydrophobicContact CG-CB 3.74Å; F339-K372 HydrophobicContact CZ-CB 4.23Å; K372-R374 VanDerWaalsContact C-N 3.28Å; K372-Q375 VanDerWaalsContact O-O 3.11Å |
| 373 | S | 95.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 31.9 Ų | 31.9 | 48% | 0.476 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.8 | 174 | 84.5 | 0 | 0 | 0 | 0 | 111.8 | K179 D371 | K179-S373 VanDerWaalsContact CB-O 3.29Å; K179-S373 WeakPolarHBondContact CB-O 3.3Å; K179-S373 WeakPolarHBondContact CD-O 3.29Å; D371-S373 PolarHBondContact O-N 3.08Å; D371-S373 VanDerWaalsContact OD1-CB 3.3Å; D371-S373 WeakPolarHBondContact OD1-CB 3.34Å; D371-S373 PolarHBondContact OD1-N 2.86Å; D371-S373 PolarHBondContact OD1-OG 2.88Å; D371-S373 PolarHBondContact OD2-OG 3.24Å |
| 374 | R | 96.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 32.6 Ų | 32.6 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -17.2 | -177.3 | -61.4 | -64.3 | -63.7 | -118.4 | -3.6 | 114 | Y178 K179 V367 D371 K372 | Y178-R374 WeakPolarHBondContact CD2-O 3.34Å; Y178-R374 PolarHBondContact OH-NH2 2.89Å; K179-R374 PolarHBondContact N-O 2.74Å; V367-R374 HydrophobicContact CG2-CB 4.19Å; D371-R374 HydrophobicContact CB-CB 4.29Å; D371-R374 HydrophobicContact CB-CG 4.17Å; D371-R374 PolarHBondContact O-N 3.12Å; K372-R374 VanDerWaalsContact C-N 3.28Å |
| 375 | Q | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -139.9 | 131.9 | -178.2 | -176.1 | 64.3 | 0.8 | 0 | 0 | 111.5 | S176 G177 Y178 F339 V367 Y369 D371 K372 I378 | S176-Q375 PolarHBondContact O-NE2 3.27Å; G177-Q375 PolarHBondContact O-OE1 2.94Å; Y178-Q375 VanDerWaalsContact N-OE1 3.17Å; F339-Q375 VanDerWaalsContact CD2-O 3.32Å; F339-Q375 WeakPolarHBondContact CD2-O 3.37Å; F339-Q375 HydrophobicContact CE2-CB 4.28Å; V367-Q375 HydrophobicContact CG2-CB 4.15Å; Y369-Q375 HydrophobicContact CD1-CG 3.76Å; Y369-Q375 HydrophobicContact CE1-CG 3.4Å; Y369-Q375 VanDerWaalsContact CE1-CG 3.4Å; Y369-Q375 HydrophobicContact CE2-CG 4.37Å; Y369-Q375 HydrophobicContact CG-CG 4.35Å; Y369-Q375 PolarHBondContact OH-NE2 3.28Å; D371-Q375 PolarHBondContact O-N 2.76Å; D371-Q375 VanDerWaalsContact O-N 3.08Å; K372-Q375 VanDerWaalsContact O-O 3.11Å; Q375-I378 PolarHBondContact NE2-O 3.16Å |
| 376 | G | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -92.5 | -174.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G177 Y369 I378 | G177-G376 PolarHBondContact O-N 3.34Å; Y369-G376 VanDerWaalsContact CE1-O 3.27Å; Y369-G376 WeakPolarHBondContact CE1-O 3.43Å; Y369-G376 PolarHBondContact OH-O 3.38Å; G376-I378 VanDerWaalsContact C-N 3.28Å; G376-I378 PolarHBondContact O-N 3.4Å | ||
| 377 | G | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -82.5 | 53 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V338 S458 F459 | V338-G377 WeakPolarHBondContact O-CA 3.48Å; G377-S458 WeakPolarHBondContact O-CA 3.38Å; G377-F459 VanDerWaalsContact O-CD2 3.3Å; G377-F459 WeakPolarHBondContact O-CD2 3.39Å; G377-F459 PolarHBondContact O-N 3.04Å; G377-F459 VanDerWaalsContact O-N 3.09Å |
| 378 | I | 98.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 122.5 | -178.3 | -54.8 | -178 | 0 | 0 | 0 | 110.9 | A34 F175 Y369 Q375 G376 R456 V457 | A34-I378 HydrophobicContact CB-CD1 3.57Å; A34-I378 HydrophobicContact CB-CG1 4.19Å; F175-I378 WeakPolarHBondContact O-CG2 3.42Å; Y369-I378 PolarHBondContact OH-O 2.95Å; Q375-I378 PolarHBondContact NE2-O 3.16Å; G376-I378 VanDerWaalsContact C-N 3.28Å; G376-I378 PolarHBondContact O-N 3.4Å; I378-R456 HydrophobicContact CG2-CG 3.56Å; I378-V457 CarbonylContact C-O 3.59Å; I378-V457 WeakPolarHBondContact CA-O 3.22Å |
| 379 | V | 98.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117.1 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | A342 L345 L349 L363 Y369 F381 V457 F459 | A342-V379 HydrophobicContact CB-CG2 3.93Å; A342-V379 WeakPolarHBondContact O-CG2 3.49Å; L345-V379 HydrophobicContact CB-CG2 4.34Å; L345-V379 HydrophobicContact CD2-CB 3.97Å; L345-V379 HydrophobicContact CD2-CG1 4.26Å; L345-V379 HydrophobicContact CD2-CG2 4.01Å; L345-V379 HydrophobicContact CG-CG1 4.5Å; L345-V379 HydrophobicContact CG-CG2 4.34Å; L349-V379 HydrophobicContact CD1-CG1 3.89Å; L363-V379 HydrophobicContact CD2-CG1 3.94Å; Y369-V379 HydrophobicContact CE2-CG2 4.17Å; V379-F381 HydrophobicContact CG1-CD1 4.23Å; V379-V457 PolarHBondContact N-O 2.98Å; V379-V457 PolarHBondContact O-N 3.2Å; V379-F459 HydrophobicContact CG2-CE2 4.27Å |
| 380 | A | 98.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | F175 Y364 V455 | F175-A380 HydrophobicContact CD1-CB 4.13Å; F175-A380 HydrophobicContact CE1-CB 3.92Å; F175-A380 WeakPolarHBondContact O-CB 3.24Å; Y364-A380 HydrophobicContact CD2-CB 4.28Å; Y364-A380 PolarHBondContact N-O 3.14Å; A380-V455 CarbonylContact C-O 3.56Å; A380-V455 VanDerWaalsContact CA-O 3.29Å; A380-V455 WeakPolarHBondContact CA-O 3.18Å |
| 381 | F | 98.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 164.8 | -179 | 63.9 | -83.9 | 0 | 0 | 0 | 113 | L349 V361 K362 L363 V379 V383 V455 V457 L475 | L349-F381 HydrophobicContact CD1-CD1 4.04Å; L349-F381 HydrophobicContact CD1-CE1 4.14Å; L349-F381 HydrophobicContact CD1-CG 4.48Å; V361-F381 HydrophobicContact CB-CB 4.36Å; V361-F381 HydrophobicContact CB-CD2 4.05Å; V361-F381 HydrophobicContact CG1-CD2 3.71Å; V361-F381 HydrophobicContact CG1-CE2 4.1Å; K362-F381 CarbonylContact O-C 3.54Å; K362-F381 WeakPolarHBondContact O-CA 3.25Å; K362-F381 VanDerWaalsContact O-CB 3.27Å; K362-F381 WeakPolarHBondContact O-CB 3.04Å; L363-F381 HydrophobicContact CD2-CB 4.16Å; V379-F381 HydrophobicContact CG1-CD1 4.23Å; F381-V383 HydrophobicContact CD2-CG2 4.22Å; F381-V383 HydrophobicContact CE2-CG2 3.85Å; F381-V455 HydrophobicContact CD2-CB 4.47Å; F381-V455 HydrophobicContact CE1-CB 4.27Å; F381-V455 HydrophobicContact CE1-CG1 3.99Å; F381-V455 HydrophobicContact CE2-CB 4.21Å; F381-V455 HydrophobicContact CE2-CG1 4.32Å; F381-V455 HydrophobicContact CZ-CB 4.1Å; F381-V455 HydrophobicContact CZ-CG1 3.78Å; F381-V455 PolarHBondContact N-O 3.12Å; F381-V455 WeakPolarHBondContact O-CB 3.49Å; F381-V455 PolarHBondContact O-N 2.98Å; F381-V457 HydrophobicContact CE1-CG2 3.86Å; F381-L475 HydrophobicContact CE2-CD1 4.4Å; F381-L475 HydrophobicContact CE2-CD2 4.45Å; F381-L475 HydrophobicContact CZ-CD1 4.26Å |
| 382 | N | 98.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.8 | 157.4 | -83.9 | -80.2 | 0 | 0 | 0 | 110 | V361 K362 Y364 F390 G453 | V361-N382 CarbonylContact C-O 3.53Å; V361-N382 VanDerWaalsContact CA-O 3.25Å; V361-N382 WeakPolarHBondContact CA-O 3.49Å; K362-N382 PolarHBondContact N-O 2.79Å; K362-N382 PolarHBondContact O-N 2.97Å; Y364-N382 HydrophobicContact CE2-CB 4.5Å; Y364-N382 WeakPolarHBondContact CE2-ND2 3.28Å; Y364-N382 PolarHBondContact OH-ND2 2.81Å; N382-F390 HydrophobicContact CB-CD1 3.65Å; N382-F390 HydrophobicContact CB-CE1 3.88Å; N382-G453 PolarHBondContact ND2-O 2.98Å; N382-G453 PolarHBondContact OD1-O 3.42Å |
| 383 | V | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 142.1 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L360 V361 F381 V391 I396 L475 Y479 | L360-V383 HydrophobicContact CD1-CG1 3.87Å; L360-V383 HydrophobicContact CG-CG1 4.4Å; L360-V383 CarbonylContact O-C 3.58Å; L360-V383 WeakPolarHBondContact O-CA 3.09Å; V361-V383 HydrophobicContact CG1-CG2 4.36Å; F381-V383 HydrophobicContact CD2-CG2 4.22Å; F381-V383 HydrophobicContact CE2-CG2 3.85Å; V383-V391 HydrophobicContact CB-CB 4.15Å; V383-V391 HydrophobicContact CB-CG2 4.3Å; V383-V391 HydrophobicContact CG1-CB 4.24Å; V383-V391 HydrophobicContact CG1-CG2 3.86Å; V383-V391 PolarHBondContact O-N 3.29Å; V383-I396 HydrophobicContact CB-CD1 3.82Å; V383-I396 HydrophobicContact CB-CG1 4.49Å; V383-I396 HydrophobicContact CG1-CD1 4.36Å; V383-I396 HydrophobicContact CG2-CD1 3.6Å; V383-I396 HydrophobicContact CG2-CG1 4.11Å; V383-L475 HydrophobicContact CG2-CD2 4.05Å; V383-Y479 HydrophobicContact CG1-CD1 3.87Å; V383-Y479 HydrophobicContact CG1-CD2 4.5Å; V383-Y479 HydrophobicContact CG1-CE1 4.41Å; V383-Y479 HydrophobicContact CG1-CG 3.95Å |
| 384 | R | 94.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 20.2 Ų | 20.2 | 18% | 0.181 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 148.4 | 179.1 | -61.6 | 178.1 | 75.2 | -146.8 | 4.8 | 110.6 | H354 E358 L360 G388 S389 F390 | H354-R384 PolarHBondContact NE2-O 3.38Å; E358-R384 IonicContact OE2-CZ 3.6Å; E358-R384 IonicContact OE2-NH1 3.98Å; E358-R384 PolarHBondContact OE2-NH1 3.03Å; E358-R384 IonicContact OE2-NH2 2.69Å; E358-R384 PolarHBondContact OE2-NH2 3.32Å; L360-R384 PolarHBondContact O-N 2.94Å; R384-G388 PolarHBondContact NE-O 3.29Å; R384-G388 PolarHBondContact NH2-O 3.15Å; R384-S389 CarbonylContact C-O 3.59Å; R384-S389 WeakPolarHBondContact CA-O 3.43Å; R384-S389 WeakPolarHBondContact CB-O 3.42Å; R384-F390 HydrophobicContact CG-CD1 4.1Å; R384-F390 HydrophobicContact CG-CE1 4.08Å |
| 385 | T | 89.9 | Confident | 93.5 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 13% | 0.129 | 10% | 0.098 | C | C | . | . | trans | -77.4 | 169.7 | 169.2 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | S387 G388 S389 V391 | T385-S387 PolarHBondContact O-N 3.07Å; T385-S387 PolarHBondContact OG1-N 3.43Å; T385-S387 PolarHBondContact OG1-OG 2.91Å; T385-G388 PolarHBondContact O-N 2.96Å; T385-S389 PolarHBondContact N-O 2.96Å; T385-S389 WeakPolarHBondContact OG1-CB 3.48Å; T385-S389 PolarHBondContact OG1-N 3.35Å; T385-S389 PolarHBondContact OG1-O 2.82Å; T385-V391 HydrophobicContact CG2-CG2 3.86Å | ||
| 386 | E | 88.9 | Confident | 93.4 | Very high | 124 Ų | 124 | 17.5 Ų | 17.5 | 58% | 0.579 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.1 | 173.9 | 64.3 | -179.4 | 176.9 | 0 | 0 | 113.1 | H354 N356 G388 | H354-E386 HydrophobicContact CB-CB 4.27Å; N356-E386 PolarHBondContact ND2-O 3.03Å; E386-G388 PolarHBondContact O-N 2.86Å |
| 387 | S | 83.7 | Confident | 93.2 | Very high | 59 Ų | 59 | 17.9 Ų | 17.9 | 41% | 0.413 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.5 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | T385 S389 | T385-S387 PolarHBondContact O-N 3.07Å; T385-S387 PolarHBondContact OG1-N 3.43Å; T385-S387 PolarHBondContact OG1-OG 2.91Å; S387-S389 VanDerWaalsContact C-N 3.29Å; S387-S389 PolarHBondContact O-N 2.89Å; S387-S389 PolarHBondContact OG-OG 2.89Å |
| 388 | G | 87.5 | Confident | 93.1 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 14% | 0.144 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 82.7 | 0.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R384 T385 E386 | R384-G388 PolarHBondContact NE-O 3.29Å; R384-G388 PolarHBondContact NH2-O 3.15Å; T385-G388 PolarHBondContact O-N 2.96Å; E386-G388 PolarHBondContact O-N 2.86Å |
| 389 | S | 87.2 | Confident | 93 | Very high | 32 Ų | 32 | 17.6 Ų | 17.6 | 22% | 0.224 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 170.4 | 171.2 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | R384 T385 S387 | R384-S389 CarbonylContact C-O 3.59Å; R384-S389 WeakPolarHBondContact CA-O 3.43Å; R384-S389 WeakPolarHBondContact CB-O 3.42Å; T385-S389 PolarHBondContact N-O 2.96Å; T385-S389 WeakPolarHBondContact OG1-CB 3.48Å; T385-S389 PolarHBondContact OG1-N 3.35Å; T385-S389 PolarHBondContact OG1-O 2.82Å; S387-S389 VanDerWaalsContact C-N 3.29Å; S387-S389 PolarHBondContact O-N 2.89Å; S387-S389 PolarHBondContact OG-OG 2.89Å |
| 390 | F | 91.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 9% | 0.092 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -95.3 | 141.7 | -179.2 | -68.2 | -80.9 | 0 | 0 | 0 | 112.3 | K362 N382 R384 L446 P451 | K362-F390 HydrophobicContact CB-CE1 4.03Å; K362-F390 HydrophobicContact CD-CE1 3.86Å; K362-F390 HydrophobicContact CD-CZ 3.68Å; N382-F390 HydrophobicContact CB-CD1 3.65Å; N382-F390 HydrophobicContact CB-CE1 3.88Å; R384-F390 HydrophobicContact CG-CD1 4.1Å; R384-F390 HydrophobicContact CG-CE1 4.08Å; F390-L446 HydrophobicContact CB-CD2 3.75Å; F390-L446 WeakPolarHBondContact O-CD1 3.36Å; F390-P451 HydrophobicContact CD1-CG 4.1Å; F390-P451 HydrophobicContact CD2-CG 4.01Å; F390-P451 HydrophobicContact CE1-CG 4.15Å; F390-P451 HydrophobicContact CE2-CG 4.04Å; F390-P451 HydrophobicContact CG-CB 4.49Å; F390-P451 HydrophobicContact CG-CG 4Å; F390-P451 HydrophobicContact CZ-CG 4.1Å |
| 391 | V | 92 | Very high | 92.8 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 131 | 162.8 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | V383 T385 F393 E395 I396 Y479 | V383-V391 HydrophobicContact CB-CB 4.15Å; V383-V391 HydrophobicContact CB-CG2 4.3Å; V383-V391 HydrophobicContact CG1-CB 4.24Å; V383-V391 HydrophobicContact CG1-CG2 3.86Å; V383-V391 PolarHBondContact O-N 3.29Å; T385-V391 HydrophobicContact CG2-CG2 3.86Å; V391-F393 PolarHBondContact O-N 3.25Å; V391-E395 HydrophobicContact CG1-CB 4.13Å; V391-E395 HydrophobicContact CG1-CG 4.28Å; V391-E395 WeakPolarHBondContact CG1-OE1 3.35Å; V391-I396 HydrophobicContact CB-CD1 4.26Å; V391-I396 HydrophobicContact CG1-CD1 3.81Å; V391-Y479 HydrophobicContact CG1-CE1 3.86Å; V391-Y479 HydrophobicContact CG2-CD1 4.32Å; V391-Y479 HydrophobicContact CG2-CE1 4.43Å |
| 392 | G | 90.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 6% | 0.062 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 133.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G394 E395 I396 D445 | G392-G394 PolarHBondContact O-N 3.06Å; G392-G394 VanDerWaalsContact O-N 3.13Å; G392-E395 WeakPolarHBondContact O-CB 3.34Å; G392-E395 PolarHBondContact O-N 3Å; G392-E395 VanDerWaalsContact O-N 3.07Å; G392-I396 PolarHBondContact O-N 2.86Å; G392-D445 WeakPolarHBondContact CA-OD2 3.42Å |
| 393 | F | 92.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -18.6 | 179.3 | 64.2 | -111.1 | 0 | 0 | 0 | 113.5 | V391 I396 A397 T409 Y443 D445 T452 V455 | V391-F393 PolarHBondContact O-N 3.25Å; F393-I396 PolarHBondContact O-N 3.16Å; F393-A397 WeakPolarHBondContact O-CB 3.41Å; F393-A397 PolarHBondContact O-N 2.83Å; F393-T409 HydrophobicContact CB-CG2 4.1Å; F393-T409 HydrophobicContact CD2-CG2 4.35Å; F393-Y443 HydrophobicContact CD2-CD1 4.5Å; F393-Y443 HydrophobicContact CE2-CD1 4.34Å; F393-D445 HydrophobicContact CB-CB 4.46Å; F393-D445 HydrophobicContact CD1-CB 3.47Å; F393-D445 VanDerWaalsContact CD1-CB 3.47Å; F393-D445 HydrophobicContact CD2-CB 3.77Å; F393-D445 HydrophobicContact CE1-CB 3.44Å; F393-D445 VanDerWaalsContact CE1-CB 3.44Å; F393-D445 HydrophobicContact CE2-CB 3.75Å; F393-D445 HydrophobicContact CG-CB 3.63Å; F393-D445 VanDerWaalsContact CZ-CA 3.49Å; F393-D445 HydrophobicContact CZ-CB 3.57Å; F393-D445 PolarHBondContact N-OD2 3.15Å; F393-T452 WeakPolarHBondContact CE1-OG1 3.21Å; F393-V455 HydrophobicContact CB-CG2 4.27Å |
| 394 | G | 90.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | G392 A397 C398 D445 | G392-G394 PolarHBondContact O-N 3.06Å; G392-G394 VanDerWaalsContact O-N 3.13Å; G394-A397 PolarHBondContact O-N 3.35Å; G394-C398 PolarHBondContact O-N 3Å; G394-C398 PolarHBondContact O-SG 3.43Å; G394-C398 VanDerWaalsContact O-SG 3.4Å; G394-D445 WeakPolarHBondContact CA-OD2 3.25Å; G394-D445 PolarHBondContact N-OD2 2.85Å |
| 395 | E | 92.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 22 Ų | 22 | 9% | 0.089 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 171.1 | -172 | -176.9 | 127.7 | 0 | 0 | 110.8 | V391 G392 A397 C398 V399 R487 I491 L509 | V391-E395 HydrophobicContact CG1-CB 4.13Å; V391-E395 HydrophobicContact CG1-CG 4.28Å; V391-E395 WeakPolarHBondContact CG1-OE1 3.35Å; G392-E395 WeakPolarHBondContact O-CB 3.34Å; G392-E395 PolarHBondContact O-N 3Å; G392-E395 VanDerWaalsContact O-N 3.07Å; E395-A397 VanDerWaalsContact C-N 3.27Å; E395-A397 PolarHBondContact O-N 3.38Å; E395-C398 WeakPolarHBondContact O-CB 3.46Å; E395-C398 PolarHBondContact O-N 3.26Å; E395-C398 VanDerWaalsContact O-N 3.16Å; E395-V399 WeakPolarHBondContact O-CG2 3.49Å; E395-V399 PolarHBondContact O-N 3.12Å; E395-R487 IonicContact OE1-CZ 3.4Å; E395-R487 IonicContact OE1-NE 2.8Å; E395-R487 PolarHBondContact OE1-NE 3.41Å; E395-R487 IonicContact OE1-NH2 2.69Å; E395-R487 PolarHBondContact OE1-NH2 2.82Å; E395-I491 HydrophobicContact CG-CD1 3.85Å; E395-L509 HydrophobicContact CB-CD2 3.88Å; E395-L509 HydrophobicContact CG-CD2 4.3Å |
| 396 | I | 95.2 | Very high | 93 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 176.6 | -49.5 | -51.1 | 0 | 0 | 0 | 111 | V383 V391 G392 F393 V399 A400 V455 Y479 | V383-I396 HydrophobicContact CB-CD1 3.82Å; V383-I396 HydrophobicContact CB-CG1 4.49Å; V383-I396 HydrophobicContact CG1-CD1 4.36Å; V383-I396 HydrophobicContact CG2-CD1 3.6Å; V383-I396 HydrophobicContact CG2-CG1 4.11Å; V391-I396 HydrophobicContact CB-CD1 4.26Å; V391-I396 HydrophobicContact CG1-CD1 3.81Å; G392-I396 PolarHBondContact O-N 2.86Å; F393-I396 PolarHBondContact O-N 3.16Å; I396-V399 PolarHBondContact O-N 3.32Å; I396-A400 VanDerWaalsContact O-CB 3.24Å; I396-A400 WeakPolarHBondContact O-CB 3.22Å; I396-A400 PolarHBondContact O-N 3.43Å; I396-V455 HydrophobicContact CB-CG2 4.04Å; I396-V455 HydrophobicContact CG1-CG2 4.12Å; I396-V455 HydrophobicContact CG2-CG2 3.8Å; I396-Y479 HydrophobicContact CD1-CD1 4.5Å; I396-Y479 HydrophobicContact CD1-CE1 3.58Å; I396-Y479 HydrophobicContact CD1-CE2 3.85Å; I396-Y479 WeakPolarHBondContact CD1-OH 3.47Å |
| 397 | A | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 19.7 Ų | 19.7 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F393 G394 E395 A401 T409 Y443 L502 | F393-A397 WeakPolarHBondContact O-CB 3.41Å; F393-A397 PolarHBondContact O-N 2.83Å; G394-A397 PolarHBondContact O-N 3.35Å; E395-A397 VanDerWaalsContact C-N 3.27Å; E395-A397 PolarHBondContact O-N 3.38Å; A397-A401 WeakPolarHBondContact O-CB 3.46Å; A397-A401 PolarHBondContact O-N 2.89Å; A397-T409 HydrophobicContact CB-CG2 4.16Å; A397-Y443 HydrophobicContact CB-CE1 3.84Å; A397-L502 HydrophobicContact CB-CD1 4.42Å; A397-L502 HydrophobicContact CB-CD2 3.78Å |
| 398 | C | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.5 | -51.8 | 172.2 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | G394 E395 A400 A401 L402 I491 L498 | G394-C398 PolarHBondContact O-N 3Å; G394-C398 PolarHBondContact O-SG 3.43Å; G394-C398 VanDerWaalsContact O-SG 3.4Å; E395-C398 WeakPolarHBondContact O-CB 3.46Å; E395-C398 PolarHBondContact O-N 3.26Å; E395-C398 VanDerWaalsContact O-N 3.16Å; C398-A400 VanDerWaalsContact C-N 3.35Å; C398-A400 PolarHBondContact O-N 3.12Å; C398-A401 PolarHBondContact O-N 3.08Å; C398-L402 WeakPolarHBondContact O-CG 3.44Å; C398-L402 PolarHBondContact O-N 3.27Å; C398-I491 HydrophobicContact CB-CD1 4.25Å; C398-I491 HydrophobicContact CB-CG1 4.4Å; C398-I491 HydrophobicContact CB-CG2 3.82Å; C398-L498 HydrophobicContact CB-CD1 4.26Å; C398-L498 HydrophobicContact CB-CD2 4.41Å |
| 399 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | E395 I396 L402 H403 M474 S478 Y479 R487 I491 | E395-V399 WeakPolarHBondContact O-CG2 3.49Å; E395-V399 PolarHBondContact O-N 3.12Å; I396-V399 PolarHBondContact O-N 3.32Å; V399-L402 PolarHBondContact O-N 3.15Å; V399-H403 PolarHBondContact O-N 3.3Å; V399-H403 VanDerWaalsContact O-N 3.13Å; V399-H403 PolarHBondContact O-ND1 3.03Å; V399-M474 HydrophobicContact CG1-CG 3.74Å; V399-M474 HydrophobicContact CG1-SD 3.94Å; V399-S478 VanDerWaalsContact CG1-OG 3.29Å; V399-S478 WeakPolarHBondContact CG1-OG 3.48Å; V399-Y479 HydrophobicContact CG1-CE2 4.29Å; V399-Y479 VanDerWaalsContact CG2-OH 3.28Å; V399-Y479 WeakPolarHBondContact CG2-OH 3.3Å; V399-R487 HydrophobicContact CG2-CG 4.27Å; V399-I491 HydrophobicContact CG2-CD1 3.69Å; V399-I491 HydrophobicContact CG2-CG1 4.06Å |
| 400 | A | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I396 C398 L402 H403 G404 I405 L407 M474 | I396-A400 VanDerWaalsContact O-CB 3.24Å; I396-A400 WeakPolarHBondContact O-CB 3.22Å; I396-A400 PolarHBondContact O-N 3.43Å; C398-A400 VanDerWaalsContact C-N 3.35Å; C398-A400 PolarHBondContact O-N 3.12Å; A400-L402 VanDerWaalsContact C-N 3.34Å; A400-L402 PolarHBondContact O-N 2.96Å; A400-H403 CarbonylContact O-C 3.59Å; A400-H403 PolarHBondContact O-N 3.04Å; A400-H403 VanDerWaalsContact O-N 3.08Å; A400-G404 PolarHBondContact O-N 3.33Å; A400-I405 CarbonylContact C-O 3.54Å; A400-I405 HydrophobicContact CB-CB 4.18Å; A400-I405 PolarHBondContact O-N 3.22Å; A400-L407 HydrophobicContact CB-CD1 4.36Å; A400-L407 HydrophobicContact CB-CD2 3.9Å; A400-L407 HydrophobicContact CB-CG 3.96Å; A400-M474 VanDerWaalsContact CA-SD 3.53Å; A400-M474 HydrophobicContact CB-SD 3.98Å |
| 401 | A | 95.6 | Very high | 94.5 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 31% | 0.306 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A397 C398 H403 G404 L498 L502 | A397-A401 WeakPolarHBondContact O-CB 3.46Å; A397-A401 PolarHBondContact O-N 2.89Å; C398-A401 PolarHBondContact O-N 3.08Å; A401-H403 PolarHBondContact O-N 3.16Å; A401-G404 PolarHBondContact O-N 2.68Å; A401-L498 HydrophobicContact CB-CD2 3.74Å; A401-L502 HydrophobicContact CB-CD1 3.98Å |
| 402 | L | 95.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 19.3 Ų | 19.3 | 14% | 0.141 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -25.4 | 176.9 | -67 | 176.1 | 0 | 0 | 0 | 113.5 | C398 V399 A400 G404 F490 I491 Q494 Q497 L498 | C398-L402 WeakPolarHBondContact O-CG 3.44Å; C398-L402 PolarHBondContact O-N 3.27Å; V399-L402 PolarHBondContact O-N 3.15Å; A400-L402 VanDerWaalsContact C-N 3.34Å; A400-L402 PolarHBondContact O-N 2.96Å; L402-G404 VanDerWaalsContact C-N 3.31Å; L402-F490 HydrophobicContact CB-CE1 4.18Å; L402-F490 HydrophobicContact CB-CZ 4.35Å; L402-F490 HydrophobicContact CD1-CD1 4.11Å; L402-F490 HydrophobicContact CD1-CE1 3.56Å; L402-F490 HydrophobicContact CD1-CZ 4.13Å; L402-I491 HydrophobicContact CD1-CB 4.49Å; L402-I491 HydrophobicContact CD1-CG1 4.24Å; L402-Q494 HydrophobicContact CD1-CB 3.98Å; L402-Q494 HydrophobicContact CD2-CB 3.58Å; L402-Q494 HydrophobicContact CG-CB 4.42Å; L402-Q497 HydrophobicContact CD2-CB 4.16Å; L402-L498 HydrophobicContact CD2-CD2 3.91Å; L402-L498 HydrophobicContact CD2-CG 4.18Å; L402-L498 HydrophobicContact CG-CD2 3.88Å |
| 403 | H | 96 | Very high | 94.6 | Very high | 57 Ų | 57 | 21.5 Ų | 21.5 | 26% | 0.264 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 4.8 | 173.3 | -70.8 | 76.3 | 0 | 0 | 0 | 113.2 | V399 A400 A401 I405 K470 M474 | V399-H403 PolarHBondContact O-N 3.3Å; V399-H403 VanDerWaalsContact O-N 3.13Å; V399-H403 PolarHBondContact O-ND1 3.03Å; A400-H403 CarbonylContact O-C 3.59Å; A400-H403 PolarHBondContact O-N 3.04Å; A400-H403 VanDerWaalsContact O-N 3.08Å; A401-H403 PolarHBondContact O-N 3.16Å; H403-I405 VanDerWaalsContact C-N 3.3Å; H403-I405 HydrophobicContact CB-CD1 4.14Å; H403-I405 HydrophobicContact CB-CG1 4.08Å; H403-I405 PolarHBondContact O-N 3.07Å; H403-K470 VanDerWaalsContact O-CE 3.22Å; H403-K470 WeakPolarHBondContact O-CE 3.39Å; H403-M474 HydrophobicContact CB-CB 4.46Å; H403-M474 HydrophobicContact CB-CG 4.11Å |
| 404 | G | 96.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 21.5 Ų | 21.5 | 21% | 0.206 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 31.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S28 V29 A400 A401 L402 | S28-G404 CarbonylContact C-O 3.58Å; S28-G404 VanDerWaalsContact CA-O 3.29Å; S28-G404 WeakPolarHBondContact CA-O 3.48Å; V29-G404 PolarHBondContact N-O 3.03Å; A400-G404 PolarHBondContact O-N 3.33Å; A401-G404 PolarHBondContact O-N 2.68Å; L402-G404 VanDerWaalsContact C-N 3.31Å |
| 405 | I | 98.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.9 | 179.1 | -55.5 | -178.8 | 0 | 0 | 0 | 109.2 | V29 L31 A400 H403 L407 K470 L471 M474 | V29-I405 HydrophobicContact CB-CG1 4.27Å; V29-I405 HydrophobicContact CG1-CG2 4.47Å; V29-I405 CarbonylContact O-C 3.6Å; V29-I405 WeakPolarHBondContact O-CA 3.46Å; L31-I405 HydrophobicContact CD1-CG2 3.87Å; A400-I405 CarbonylContact C-O 3.54Å; A400-I405 HydrophobicContact CB-CB 4.18Å; A400-I405 PolarHBondContact O-N 3.22Å; H403-I405 VanDerWaalsContact C-N 3.3Å; H403-I405 HydrophobicContact CB-CD1 4.14Å; H403-I405 HydrophobicContact CB-CG1 4.08Å; H403-I405 PolarHBondContact O-N 3.07Å; I405-L407 HydrophobicContact CG2-CD2 4.21Å; I405-L407 HydrophobicContact CG2-CG 4.49Å; I405-K470 HydrophobicContact CD1-CG 4.28Å; I405-L471 HydrophobicContact CD1-CB 4.3Å; I405-L471 HydrophobicContact CD1-CD1 4.33Å; I405-L471 HydrophobicContact CG2-CD1 4.38Å; I405-M474 HydrophobicContact CD1-CB 3.96Å; I405-M474 HydrophobicContact CD1-CG 4.38Å; I405-M474 HydrophobicContact CD1-SD 3.91Å |
| 406 | L | 97.1 | Very high | 94.8 | Very high | 78 Ų | 78 | 23.6 Ų | 23.6 | 41% | 0.408 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 101.9 | 179.2 | -64.1 | 84.3 | 0 | 0 | 0 | 108.7 | V29 Y30 L31 | V29-L406 PolarHBondContact O-N 3.09Å; Y30-L406 HydrophobicContact CD2-CB 3.74Å; Y30-L406 HydrophobicContact CD2-CD2 4.08Å; Y30-L406 HydrophobicContact CD2-CG 4.45Å; Y30-L406 HydrophobicContact CE2-CB 4.28Å; L31-L406 CarbonylContact C-O 3.55Å; L31-L406 WeakPolarHBondContact CA-O 3.27Å; L31-L406 PolarHBondContact N-O 2.9Å |
| 407 | L | 97 | Very high | 94.8 | Very high | 19 Ų | 19 | 23.6 Ų | 23.6 | 10% | 0.099 | 14% | 0.135 | C | C | . | . | trans | -129.2 | 175 | 176.2 | 58.7 | 70.5 | 0 | 0 | 0 | 110.4 | L31 A400 I405 T409 V455 L471 | L31-L407 HydrophobicContact CB-CB 4.45Å; A400-L407 HydrophobicContact CB-CD1 4.36Å; A400-L407 HydrophobicContact CB-CD2 3.9Å; A400-L407 HydrophobicContact CB-CG 3.96Å; I405-L407 HydrophobicContact CG2-CD2 4.21Å; I405-L407 HydrophobicContact CG2-CG 4.49Å; L407-T409 HydrophobicContact CD1-CG2 3.78Å; L407-V455 HydrophobicContact CD1-CG1 3.99Å; L407-V455 HydrophobicContact CD2-CG1 3.93Å; L407-L471 HydrophobicContact CD2-CD1 4.08Å | ||
| 408 | R | 94.7 | Very high | 94.7 | Very high | 86 Ų | 86 | 23.2 Ų | 23.2 | 33% | 0.325 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 144.3 | 179.4 | -153.3 | 66.1 | -144.7 | 136.4 | 2.3 | 112.5 | D32 F412 R456 | D32-R408 WeakPolarHBondContact OD1-CB 3.42Å; R408-F412 HydrophobicContact CB-CD1 4.28Å; R408-F412 HydrophobicContact CB-CE1 4.33Å; R408-F412 HydrophobicContact CG-CD1 4.09Å; R408-F412 HydrophobicContact CG-CE1 4.47Å; R408-F412 WeakPolarHBondContact O-CE1 3.33Å; R408-R456 PolarHBondContact N-O 3.26Å; R408-R456 PolarHBondContact O-N 3.21Å |
| 409 | T | 94.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158.7 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | F393 A397 L407 A454 V455 | F393-T409 HydrophobicContact CB-CG2 4.1Å; F393-T409 HydrophobicContact CD2-CG2 4.35Å; A397-T409 HydrophobicContact CB-CG2 4.16Å; L407-T409 HydrophobicContact CD1-CG2 3.78Å; T409-A454 CarbonylContact C-O 3.5Å; T409-A454 WeakPolarHBondContact CA-O 3.32Å; T409-V455 HydrophobicContact CG2-CG2 4.15Å |
| 410 | G | 92 | Very high | 94.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 7% | 0.072 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.5 | -150.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | F412 G453 A454 | G410-F412 VanDerWaalsContact O-CZ 3.25Å; G410-F412 WeakPolarHBondContact O-CZ 3.49Å; G410-G453 WeakPolarHBondContact O-CA 3.48Å; G410-A454 PolarHBondContact N-O 3.22Å; G410-A454 PolarHBondContact O-N 2.92Å |
| 411 | C | 91.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.081 | 16% | 0.164 | C | C | . | . | trans | -94.3 | 3.7 | 177.6 | -70.8 | 0 | 0 | 0 | 0 | 114 | C413 N414 C418 T452 | C411-C413 VanDerWaalsContact C-N 3.26Å; C411-C413 PolarHBondContact O-N 3.43Å; C411-C413 VanDerWaalsContact O-N 3.12Å; C411-N414 CarbonylContact O-C 3.49Å; C411-N414 PolarHBondContact O-N 2.8Å; C411-C418 VanDerWaalsContact CA-SG 3.53Å; C411-C418 HydrophobicContact CB-CB 3.53Å; C411-C418 WeakPolarHBondContact CB-SG 3.34Å; C411-C418 WeakPolarHBondContact SG-CB 3.42Å; C411-C418 CovalentContact SG-SG 2.05Å; C411-C418 PolarHBondContact SG-SG 3.34Å; C411-T452 PolarHBondContact SG-O 2.98Å | ||
| 412 | F | 93.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.053 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 35.8 | 176 | -35.2 | -57.7 | 0 | 0 | 0 | 115.1 | N174 F175 R408 G410 N414 A454 R456 | N174-F412 PolarHBondContact ND2-O 3.31Å; F175-F412 HydrophobicContact CB-CD2 4.12Å; F175-F412 AromaticContact CD2-CD2 3.27Å; F175-F412 HydrophobicContact CD2-CD2 3.27Å; F175-F412 AromaticContact CD2-CE2 3.53Å; F175-F412 HydrophobicContact CD2-CE2 3.53Å; F175-F412 HydrophobicContact CD2-CG 4.44Å; F175-F412 AromaticContact CE2-CD2 3.74Å; F175-F412 HydrophobicContact CE2-CD2 3.74Å; F175-F412 AromaticContact CE2-CE2 3.52Å; F175-F412 HydrophobicContact CE2-CE2 3.52Å; F175-F412 AromaticContact CG-CD2 3.77Å; F175-F412 HydrophobicContact CG-CD2 3.77Å; F175-F412 HydrophobicContact CG-CE2 4.04Å; F175-F412 HydrophobicContact CZ-CE2 4.06Å; R408-F412 HydrophobicContact CB-CD1 4.28Å; R408-F412 HydrophobicContact CB-CE1 4.33Å; R408-F412 HydrophobicContact CG-CD1 4.09Å; R408-F412 HydrophobicContact CG-CE1 4.47Å; R408-F412 WeakPolarHBondContact O-CE1 3.33Å; G410-F412 VanDerWaalsContact O-CZ 3.25Å; G410-F412 WeakPolarHBondContact O-CZ 3.49Å; F412-N414 PolarHBondContact O-N 3.02Å; F412-A454 HydrophobicContact CE2-CB 4.03Å; F412-A454 HydrophobicContact CZ-CB 3.94Å; F412-A454 VanDerWaalsContact CZ-O 3.22Å; F412-A454 WeakPolarHBondContact CZ-O 3.24Å; F412-R456 HydrophobicContact CD1-CB 3.91Å; F412-R456 HydrophobicContact CD2-CB 4.07Å; F412-R456 HydrophobicContact CE1-CB 3.41Å; F412-R456 VanDerWaalsContact CE1-CB 3.41Å; F412-R456 HydrophobicContact CE2-CB 3.62Å; F412-R456 HydrophobicContact CE2-CG 4.46Å; F412-R456 HydrophobicContact CG-CB 4.23Å; F412-R456 HydrophobicContact CZ-CB 3.27Å; F412-R456 HydrophobicContact CZ-CG 4.49Å |
| 413 | C | 91.8 | Very high | 94 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 35% | 0.345 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 32.3 | -174.1 | -51.3 | 0 | 0 | 0 | 0 | 113.4 | H121 T122 C411 | H121-C413 WeakPolarHBondContact CA-O 3.23Å; H121-C413 PolarHBondContact CD2-O 3.48Å; H121-C413 VanDerWaalsContact CD2-O 3.25Å; H121-C413 VanDerWaalsContact NE2-CB 3.27Å; H121-C413 WeakPolarHBondContact NE2-CB 3.46Å; T122-C413 PolarHBondContact N-O 3.09Å; T122-C413 VanDerWaalsContact OG1-C 3.29Å; T122-C413 PolarHBondContact OG1-O 2.76Å; C411-C413 VanDerWaalsContact C-N 3.26Å; C411-C413 PolarHBondContact O-N 3.43Å; C411-C413 VanDerWaalsContact O-N 3.12Å |
| 414 | N | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -138.8 | 77.8 | 176.6 | -169 | -30.4 | 0 | 0 | 0 | 109.5 | E119 N120 N174 F175 C411 F412 G416 A417 C418 | E119-N414 PolarHBondContact O-ND2 3.16Å; N120-N414 PolarHBondContact O-OD1 3.49Å; N174-N414 WeakPolarHBondContact OD1-CB 3.41Å; N174-N414 PolarHBondContact OD1-ND2 2.76Å; F175-N414 HydrophobicContact CB-CB 4.32Å; C411-N414 CarbonylContact O-C 3.49Å; C411-N414 PolarHBondContact O-N 2.8Å; F412-N414 PolarHBondContact O-N 3.02Å; N414-G416 VanDerWaalsContact C-N 3.33Å; N414-G416 PolarHBondContact O-N 3Å; N414-A417 HydrophobicContact CB-CB 4.32Å; N414-A417 VanDerWaalsContact CG-CB 3.45Å; N414-A417 WeakPolarHBondContact OD1-CB 3.39Å; N414-A417 PolarHBondContact OD1-N 2.62Å; N414-C418 WeakPolarHBondContact O-CB 3.29Å; N414-C418 PolarHBondContact O-N 2.99Å | ||
| 415 | I | 91.2 | Very high | 93 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.8 | -38.1 | -173.2 | -60.3 | 171.7 | 0 | 0 | 0 | 110.9 | C418 Q419 Y433 | I415-C418 WeakPolarHBondContact O-CB 3.15Å; I415-C418 PolarHBondContact O-N 3.31Å; I415-Q419 VanDerWaalsContact O-CB 3.32Å; I415-Q419 WeakPolarHBondContact O-CB 3.29Å; I415-Q419 PolarHBondContact O-N 3.47Å; I415-Y433 HydrophobicContact CG2-CE2 4.41Å |
| 416 | G | 93.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.1 | -35 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q118 N414 Y420 | Q118-G416 CarbonylContact O-C 3.6Å; Q118-G416 WeakPolarHBondContact O-CA 3.25Å; N414-G416 VanDerWaalsContact C-N 3.33Å; N414-G416 PolarHBondContact O-N 3Å; G416-Y420 WeakPolarHBondContact O-CB 3.45Å; G416-Y420 PolarHBondContact O-N 3.26Å |
| 417 | A | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E119 F175 N414 Q419 Y420 Y421 | E119-A417 HydrophobicContact CB-CB 4.16Å; E119-A417 HydrophobicContact CG-CB 3.94Å; F175-A417 HydrophobicContact CB-CB 3.68Å; F175-A417 HydrophobicContact CD1-CB 4.44Å; F175-A417 HydrophobicContact CD2-CB 4.34Å; F175-A417 HydrophobicContact CG-CB 3.93Å; N414-A417 HydrophobicContact CB-CB 4.32Å; N414-A417 VanDerWaalsContact CG-CB 3.45Å; N414-A417 WeakPolarHBondContact OD1-CB 3.39Å; N414-A417 PolarHBondContact OD1-N 2.62Å; A417-Q419 VanDerWaalsContact C-N 3.31Å; A417-Q419 PolarHBondContact O-N 3.35Å; A417-Y420 PolarHBondContact O-N 3.44Å; A417-Y421 HydrophobicContact CB-CD2 4.21Å; A417-Y421 HydrophobicContact CB-CE2 4.25Å; A417-Y421 WeakPolarHBondContact O-CD2 3.41Å; A417-Y421 PolarHBondContact O-N 2.85Å |
| 418 | C | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.9 | -49.3 | 175.8 | -157.1 | 0 | 0 | 0 | 0 | 110.9 | F175 C411 N414 I415 Y420 L422 T452 | F175-C418 HydrophobicContact CD2-CB 4.37Å; F175-C418 HydrophobicContact CE2-CB 4.02Å; C411-C418 VanDerWaalsContact CA-SG 3.53Å; C411-C418 HydrophobicContact CB-CB 3.53Å; C411-C418 WeakPolarHBondContact CB-SG 3.34Å; C411-C418 WeakPolarHBondContact SG-CB 3.42Å; C411-C418 CovalentContact SG-SG 2.05Å; C411-C418 PolarHBondContact SG-SG 3.34Å; N414-C418 WeakPolarHBondContact O-CB 3.29Å; N414-C418 PolarHBondContact O-N 2.99Å; I415-C418 WeakPolarHBondContact O-CB 3.15Å; I415-C418 PolarHBondContact O-N 3.31Å; C418-Y420 PolarHBondContact O-N 3.4Å; C418-L422 WeakPolarHBondContact O-CB 3.49Å; C418-L422 WeakPolarHBondContact O-CG 3.18Å; C418-L422 PolarHBondContact O-N 2.86Å; C418-L422 VanDerWaalsContact SG-CD1 3.54Å; C418-T452 PolarHBondContact SG-O 2.94Å |
| 419 | Q | 92.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 175.9 | -172.6 | -170.9 | 2.6 | 0 | 0 | 111.7 | I415 A417 G423 L424 L429 | I415-Q419 VanDerWaalsContact O-CB 3.32Å; I415-Q419 WeakPolarHBondContact O-CB 3.29Å; I415-Q419 PolarHBondContact O-N 3.47Å; A417-Q419 VanDerWaalsContact C-N 3.31Å; A417-Q419 PolarHBondContact O-N 3.35Å; Q419-G423 PolarHBondContact O-N 3.25Å; Q419-L424 HydrophobicContact CG-CB 4.16Å; Q419-L424 WeakPolarHBondContact CG-O 3.39Å; Q419-L424 PolarHBondContact NE2-O 3.38Å; Q419-L424 VanDerWaalsContact NE2-O 3.12Å; Q419-L424 PolarHBondContact O-N 3.41Å; Q419-L429 HydrophobicContact CG-CD1 4.03Å |
| 420 | Y | 93.7 | Very high | 89.3 | Confident | 102 Ų | 102 | 40.6 Ų | 40.6 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -51.7 | -178.2 | 176.8 | -88.4 | 0 | 0 | 0 | 112.5 | K366 G416 A417 C418 G423 | K366-Y420 HydrophobicContact CD-CE1 4.37Å; K366-Y420 VanDerWaalsContact CE-CZ 3.47Å; K366-Y420 HydrophobicContact CG-CE1 4.49Å; G416-Y420 WeakPolarHBondContact O-CB 3.45Å; G416-Y420 PolarHBondContact O-N 3.26Å; A417-Y420 PolarHBondContact O-N 3.44Å; C418-Y420 PolarHBondContact O-N 3.4Å; Y420-G423 PolarHBondContact O-N 2.98Å |
| 421 | Y | 95.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.3 | -30.8 | -174.4 | -76.1 | -70.8 | 0 | 0 | 0 | 113.2 | E119 F175 S176 Y364 K366 A417 | E119-Y421 PolarHBondContact OE2-OH 2.95Å; F175-Y421 AromaticContact CD1-CD2 3.63Å; F175-Y421 HydrophobicContact CD1-CD2 3.63Å; F175-Y421 HydrophobicContact CD1-CE2 4.07Å; F175-Y421 HydrophobicContact CD1-CG 4.38Å; F175-Y421 AromaticContact CE1-CD2 3.64Å; F175-Y421 HydrophobicContact CE1-CD2 3.64Å; F175-Y421 HydrophobicContact CE1-CE2 4.46Å; F175-Y421 AromaticContact CE1-CG 3.96Å; F175-Y421 HydrophobicContact CE1-CG 3.96Å; S176-Y421 WeakPolarHBondContact CB-OH 3.04Å; S176-Y421 PolarHBondContact OG-OH 2.96Å; Y364-Y421 HydrophobicContact CD1-CD1 4.22Å; Y364-Y421 HydrophobicContact CD1-CG 4.38Å; Y364-Y421 WeakPolarHBondContact CE1-O 3.43Å; Y364-Y421 HydrophobicContact CG-CD1 4.27Å; Y364-Y421 HydrophobicContact CG-CG 4.28Å; K366-Y421 VanDerWaalsContact CD-OH 3.32Å; K366-Y421 WeakPolarHBondContact CD-OH 3.29Å; K366-Y421 WeakPolarHBondContact CE-OH 3.28Å; K366-Y421 HydrophobicContact CG-CE1 3.94Å; K366-Y421 WeakPolarHBondContact CG-OH 3.41Å; A417-Y421 HydrophobicContact CB-CD2 4.21Å; A417-Y421 HydrophobicContact CB-CE2 4.25Å; A417-Y421 WeakPolarHBondContact O-CD2 3.41Å; A417-Y421 PolarHBondContact O-N 2.85Å |
| 422 | L | 93 | Very high | 87.5 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -87.6 | -12 | 178.6 | -56.5 | -178.6 | 0 | 0 | 0 | 112.6 | Y364 C418 L424 P451 T452 | Y364-L422 HydrophobicContact CE1-CD2 4.04Å; Y364-L422 HydrophobicContact CE2-CD2 3.71Å; Y364-L422 WeakPolarHBondContact OH-CD2 3.32Å; C418-L422 WeakPolarHBondContact O-CB 3.49Å; C418-L422 WeakPolarHBondContact O-CG 3.18Å; C418-L422 PolarHBondContact O-N 2.86Å; C418-L422 VanDerWaalsContact SG-CD1 3.54Å; L422-L424 HydrophobicContact CB-CD1 4.02Å; L422-L424 HydrophobicContact CB-CD2 4.27Å; L422-L424 HydrophobicContact CB-CG 3.78Å; L422-L424 HydrophobicContact CD1-CD1 4.11Å; L422-P451 WeakPolarHBondContact CD1-O 3.26Å; L422-P451 HydrophobicContact CD2-CG 4.09Å; L422-T452 VanDerWaalsContact CD1-C 3.46Å |
| 423 | G | 90.6 | Very high | 86.8 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 67% | 0.67 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 35.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q419 Y420 | Q419-G423 PolarHBondContact O-N 3.25Å; Y420-G423 PolarHBondContact O-N 2.98Å |
| 424 | L | 86.7 | Confident | 86 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | trans | -83.6 | 122.7 | -178.2 | -54.4 | 171.6 | 0 | 0 | 0 | 109.9 | Q419 L422 A428 L429 I432 | Q419-L424 HydrophobicContact CG-CB 4.16Å; Q419-L424 WeakPolarHBondContact CG-O 3.39Å; Q419-L424 PolarHBondContact NE2-O 3.38Å; Q419-L424 VanDerWaalsContact NE2-O 3.12Å; Q419-L424 PolarHBondContact O-N 3.41Å; L422-L424 HydrophobicContact CB-CD1 4.02Å; L422-L424 HydrophobicContact CB-CD2 4.27Å; L422-L424 HydrophobicContact CB-CG 3.78Å; L422-L424 HydrophobicContact CD1-CD1 4.11Å; L424-A428 HydrophobicContact CB-CB 4.23Å; L424-A428 HydrophobicContact CD2-CB 4.16Å; L424-L429 HydrophobicContact CB-CD2 4.28Å; L424-L429 HydrophobicContact CB-CG 4.39Å; L424-L429 HydrophobicContact CD1-CD2 4.34Å; L424-I432 HydrophobicContact CD1-CD1 3.76Å; L424-I432 HydrophobicContact CD2-CD1 4.08Å; L424-I432 HydrophobicContact CG-CD1 4.47Å | ||
| 425 | D | 84.5 | Confident | 84.6 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | trans | -86.4 | -177.8 | 171.1 | 59.1 | 20 | 0 | 0 | 0 | 111.6 | D427 A428 L429 | D425-D427 VanDerWaalsContact C-N 3.32Å; D425-D427 PolarHBondContact O-N 2.99Å; D425-D427 PolarHBondContact OD1-N 2.97Å; D425-A428 PolarHBondContact O-N 2.88Å; D425-A428 WeakPolarHBondContact OD1-CB 3.49Å; D425-A428 PolarHBondContact OD1-N 2.68Å; D425-L429 VanDerWaalsContact O-CG 3.27Å; D425-L429 WeakPolarHBondContact O-CG 3.4Å; D425-L429 PolarHBondContact O-N 3.12Å | ||
| 426 | E | 82.3 | Confident | 83.2 | Confident | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | -178.4 | -66.9 | 179.7 | -177.2 | 0 | 0 | 111.6 | K198 L429 D430 | K198-E426 IonicContact NZ-OE1 3.24Å; K198-E426 PolarHBondContact NZ-OE1 2.97Å; E426-L429 PolarHBondContact O-N 3Å; E426-D430 WeakPolarHBondContact O-CB 3.11Å; E426-D430 PolarHBondContact O-N 2.79Å |
| 427 | D | 78.5 | Confident | 81.8 | Confident | 115 Ų | 115 | 57.5 Ų | 57.5 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 177.8 | -74.4 | -37.4 | 0 | 0 | 0 | 112.5 | D425 D430 A431 R435 | D425-D427 VanDerWaalsContact C-N 3.32Å; D425-D427 PolarHBondContact O-N 2.99Å; D425-D427 PolarHBondContact OD1-N 2.97Å; D427-D430 PolarHBondContact O-N 2.86Å; D427-A431 WeakPolarHBondContact O-CB 3.39Å; D427-A431 PolarHBondContact O-N 3.4Å; D427-R435 PolarHBondContact O-NH2 3.18Å; D427-R435 VanDerWaalsContact O-NH2 3.1Å |
| 428 | A | 78.8 | Confident | 80.3 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L424 D425 A431 I432 | L424-A428 HydrophobicContact CB-CB 4.23Å; L424-A428 HydrophobicContact CD2-CB 4.16Å; D425-A428 PolarHBondContact O-N 2.88Å; D425-A428 WeakPolarHBondContact OD1-CB 3.49Å; D425-A428 PolarHBondContact OD1-N 2.68Å; A428-A431 WeakPolarHBondContact O-CB 3.22Å; A428-A431 PolarHBondContact O-N 2.82Å; A428-I432 WeakPolarHBondContact O-CB 3.41Å; A428-I432 WeakPolarHBondContact O-CD1 3.43Å; A428-I432 WeakPolarHBondContact O-CG1 3.47Å; A428-I432 PolarHBondContact O-N 3.36Å |
| 429 | L | 82.2 | Confident | 79 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.3 | -71 | 174.7 | 0 | 0 | 0 | 111.7 | Q419 L424 D425 E426 A431 I432 Y433 | Q419-L429 HydrophobicContact CG-CD1 4.03Å; L424-L429 HydrophobicContact CB-CD2 4.28Å; L424-L429 HydrophobicContact CB-CG 4.39Å; L424-L429 HydrophobicContact CD1-CD2 4.34Å; D425-L429 VanDerWaalsContact O-CG 3.27Å; D425-L429 WeakPolarHBondContact O-CG 3.4Å; D425-L429 PolarHBondContact O-N 3.12Å; E426-L429 PolarHBondContact O-N 3Å; L429-A431 VanDerWaalsContact C-N 3.34Å; L429-I432 PolarHBondContact O-N 2.88Å; L429-Y433 HydrophobicContact CB-CD2 4.48Å; L429-Y433 HydrophobicContact CD2-CD2 4.22Å; L429-Y433 HydrophobicContact CD2-CE2 3.79Å; L429-Y433 WeakPolarHBondContact O-CD2 3.45Å; L429-Y433 PolarHBondContact O-N 3.27Å |
| 430 | D | 80.6 | Confident | 77.6 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 175.1 | -86.1 | 4.6 | 0 | 0 | 0 | 111.7 | E426 D427 I432 K434 R435 | E426-D430 WeakPolarHBondContact O-CB 3.11Å; E426-D430 PolarHBondContact O-N 2.79Å; D427-D430 PolarHBondContact O-N 2.86Å; D430-I432 VanDerWaalsContact C-N 3.32Å; D430-I432 PolarHBondContact O-N 3.03Å; D430-K434 HydrophobicContact CB-CD 4.28Å; D430-K434 WeakPolarHBondContact O-CA 3.29Å; D430-K434 WeakPolarHBondContact O-CB 3.32Å; D430-K434 PolarHBondContact O-N 2.77Å; D430-K434 WeakPolarHBondContact OD1-CD 3.45Å; D430-K434 WeakPolarHBondContact OD1-CE 3.31Å; D430-K434 IonicContact OD1-NZ 2.72Å; D430-K434 PolarHBondContact OD1-NZ 3.09Å; D430-K434 IonicContact OD2-NZ 2.71Å; D430-K434 PolarHBondContact OD2-NZ 2.85Å; D430-R435 PolarHBondContact O-N 3.25Å |
| 431 | A | 72.4 | Confident | 76 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 13% | 0.132 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -57.5 | -47.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D427 A428 L429 A436 | D427-A431 WeakPolarHBondContact O-CB 3.39Å; D427-A431 PolarHBondContact O-N 3.4Å; A428-A431 WeakPolarHBondContact O-CB 3.22Å; A428-A431 PolarHBondContact O-N 2.82Å; L429-A431 VanDerWaalsContact C-N 3.34Å; A431-A436 VanDerWaalsContact O-CB 3.3Å; A431-A436 WeakPolarHBondContact O-CB 3.16Å; A431-A436 PolarHBondContact O-N 2.9Å |
| 432 | I | 74.1 | Confident | 74.7 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -68.9 | -54.6 | -176 | -69.4 | 163.6 | 0 | 0 | 0 | 111.5 | L424 A428 L429 D430 A436 R438 I447 T452 | L424-I432 HydrophobicContact CD1-CD1 3.76Å; L424-I432 HydrophobicContact CD2-CD1 4.08Å; L424-I432 HydrophobicContact CG-CD1 4.47Å; A428-I432 WeakPolarHBondContact O-CB 3.41Å; A428-I432 WeakPolarHBondContact O-CD1 3.43Å; A428-I432 WeakPolarHBondContact O-CG1 3.47Å; A428-I432 PolarHBondContact O-N 3.36Å; L429-I432 PolarHBondContact O-N 2.88Å; D430-I432 VanDerWaalsContact C-N 3.32Å; D430-I432 PolarHBondContact O-N 3.03Å; I432-A436 WeakPolarHBondContact O-CB 3.44Å; I432-R438 HydrophobicContact CG2-CB 3.81Å; I432-R438 HydrophobicContact CG2-CG 4.17Å; I432-R438 WeakPolarHBondContact O-CB 3.29Å; I432-R438 PolarHBondContact O-N 2.74Å; I432-R438 VanDerWaalsContact O-N 3.13Å; I432-I447 HydrophobicContact CB-CD1 4.05Å; I432-I447 HydrophobicContact CG1-CD1 3.52Å; I432-I447 HydrophobicContact CG1-CG1 4.39Å; I432-T452 HydrophobicContact CD1-CG2 4.1Å; I432-T452 HydrophobicContact CG1-CG2 3.96Å |
| 433 | Y | 78.2 | Confident | 73.6 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -93.1 | -38.7 | -167.6 | -67.3 | -70.4 | 0 | 0 | 0 | 113.2 | I415 L429 R438 | I415-Y433 HydrophobicContact CG2-CE2 4.41Å; L429-Y433 HydrophobicContact CB-CD2 4.48Å; L429-Y433 HydrophobicContact CD2-CD2 4.22Å; L429-Y433 HydrophobicContact CD2-CE2 3.79Å; L429-Y433 WeakPolarHBondContact O-CD2 3.45Å; L429-Y433 PolarHBondContact O-N 3.27Å; Y433-R438 HydrophobicContact CD1-CB 4.27Å; Y433-R438 WeakPolarHBondContact CD1-O 3.41Å |
| 434 | K | 75.5 | Confident | 72.4 | Confident | 150 Ų | 150 | 66.5 Ų | 66.5 | 65% | 0.652 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -89.3 | -46 | -177.5 | -60.5 | -179.9 | -174.3 | 156.3 | 0 | 112.3 | D430 | D430-K434 HydrophobicContact CB-CD 4.28Å; D430-K434 WeakPolarHBondContact O-CA 3.29Å; D430-K434 WeakPolarHBondContact O-CB 3.32Å; D430-K434 PolarHBondContact O-N 2.77Å; D430-K434 WeakPolarHBondContact OD1-CD 3.45Å; D430-K434 WeakPolarHBondContact OD1-CE 3.31Å; D430-K434 IonicContact OD1-NZ 2.72Å; D430-K434 PolarHBondContact OD1-NZ 3.09Å; D430-K434 IonicContact OD2-NZ 2.71Å; D430-K434 PolarHBondContact OD2-NZ 2.85Å |
| 435 | R | 64 | Low | 72.1 | Confident | 174 Ų | 174 | 65.9 Ų | 65.9 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -83.4 | -49.3 | -175.9 | -62.7 | -169 | -75.8 | -96.5 | 1.4 | 112.7 | D427 D430 G437 | D427-R435 PolarHBondContact O-NH2 3.18Å; D427-R435 VanDerWaalsContact O-NH2 3.1Å; D430-R435 PolarHBondContact O-N 3.25Å; R435-G437 VanDerWaalsContact C-N 3.33Å |
| 436 | A | 62.7 | Low | 72 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -83 | -9.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A431 I432 R438 I447 | A431-A436 VanDerWaalsContact O-CB 3.3Å; A431-A436 WeakPolarHBondContact O-CB 3.16Å; A431-A436 PolarHBondContact O-N 2.9Å; I432-A436 WeakPolarHBondContact O-CB 3.44Å; A436-R438 VanDerWaalsContact C-N 3.29Å; A436-R438 PolarHBondContact O-N 2.7Å; A436-I447 HydrophobicContact CB-CD1 3.7Å |
| 437 | G | 63.3 | Low | 71.7 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | trans | 67.7 | 25.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R435 | R435-G437 VanDerWaalsContact C-N 3.33Š| ||
| 438 | R | 65 | Low | 71.5 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | trans | -61.8 | 140 | -177 | -168.3 | -168.3 | 175.4 | -168.3 | 12.6 | 112.2 | I432 Y433 A436 D442 F444 T452 | I432-R438 HydrophobicContact CG2-CB 3.81Å; I432-R438 HydrophobicContact CG2-CG 4.17Å; I432-R438 WeakPolarHBondContact O-CB 3.29Å; I432-R438 PolarHBondContact O-N 2.74Å; I432-R438 VanDerWaalsContact O-N 3.13Å; Y433-R438 HydrophobicContact CD1-CB 4.27Å; Y433-R438 WeakPolarHBondContact CD1-O 3.41Å; A436-R438 VanDerWaalsContact C-N 3.29Å; A436-R438 PolarHBondContact O-N 2.7Å; R438-D442 VanDerWaalsContact CA-OD2 3.24Å; R438-D442 WeakPolarHBondContact CA-OD2 3.41Å; R438-D442 VanDerWaalsContact CG-OD1 3.29Å; R438-D442 WeakPolarHBondContact CG-OD1 3.46Å; R438-D442 WeakPolarHBondContact CG-OD2 3.5Å; R438-D442 IonicContact NE-OD1 3.55Å; R438-D442 PolarHBondContact NE-OD1 2.87Å; R438-F444 HydrophobicContact CG-CB 4.31Å; R438-T452 VanDerWaalsContact CZ-O 3.22Å; R438-T452 PolarHBondContact NH1-O 2.7Å; R438-T452 PolarHBondContact NH1-OG1 2.99Å; R438-T452 PolarHBondContact NH2-O 2.81Å; R438-T452 PolarHBondContact NH2-OG1 3.06Å; R438-T452 VanDerWaalsContact NH2-OG1 3.16Å | ||
| 439 | I | 65.4 | Low | 71.4 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | trans | -123.4 | 158.6 | 172.4 | 57.8 | 172 | 0 | 0 | 0 | 111.6 | G441 D442 | I439-G441 PolarHBondContact O-N 2.88Å; I439-G441 VanDerWaalsContact O-N 3.14Å; I439-D442 HydrophobicContact CG1-CB 4.17Å; I439-D442 PolarHBondContact N-OD2 2.73Å; I439-D442 PolarHBondContact O-N 2.81Å; I439-D442 VanDerWaalsContact O-OD2 3.11Å | ||
| 440 | C | 63.8 | Low | 71.6 | Confident | 98 Ų | 98 | 60.2 Ų | 60.2 | 66% | 0.662 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 119.2 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 441 | G | 60 | Low | 72 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.5 | -2.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I439 | I439-G441 PolarHBondContact O-N 2.88Å; I439-G441 VanDerWaalsContact O-N 3.14Å |
| 442 | D | 66.5 | Low | 72.8 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | trans | -74.3 | 174.1 | 169.1 | 67 | 25 | 0 | 0 | 0 | 113.2 | R438 I439 F444 | R438-D442 VanDerWaalsContact CA-OD2 3.24Å; R438-D442 WeakPolarHBondContact CA-OD2 3.41Å; R438-D442 VanDerWaalsContact CG-OD1 3.29Å; R438-D442 WeakPolarHBondContact CG-OD1 3.46Å; R438-D442 WeakPolarHBondContact CG-OD2 3.5Å; R438-D442 IonicContact NE-OD1 3.55Å; R438-D442 PolarHBondContact NE-OD1 2.87Å; I439-D442 HydrophobicContact CG1-CB 4.17Å; I439-D442 PolarHBondContact N-OD2 2.73Å; I439-D442 PolarHBondContact O-N 2.81Å; I439-D442 VanDerWaalsContact O-OD2 3.11Å; D442-F444 HydrophobicContact CB-CD2 4.29Å; D442-F444 PolarHBondContact OD1-N 2.68Å | ||
| 443 | Y | 69.7 | Low | 73.7 | Confident | 33 Ų | 33 | 57 Ų | 57 | 13% | 0.129 | 30% | 0.303 | C | S | . | . | trans | -111.5 | 27.3 | 176.7 | -62.8 | -70.7 | 0 | 0 | 0 | 112.5 | F393 A397 D445 L501 L502 R505 | F393-Y443 HydrophobicContact CD2-CD1 4.5Å; F393-Y443 HydrophobicContact CE2-CD1 4.34Å; A397-Y443 HydrophobicContact CB-CE1 3.84Å; Y443-D445 VanDerWaalsContact C-N 3.28Å; Y443-D445 PolarHBondContact O-N 2.98Å; Y443-L501 HydrophobicContact CE2-CB 3.91Å; Y443-L502 HydrophobicContact CD1-CD2 4.13Å; Y443-L502 HydrophobicContact CD2-CD2 4.16Å; Y443-L502 HydrophobicContact CE1-CD2 3.54Å; Y443-L502 HydrophobicContact CE2-CD2 3.57Å; Y443-L502 HydrophobicContact CE2-CG 4.09Å; Y443-L502 HydrophobicContact CG-CD2 4.41Å; Y443-L502 WeakPolarHBondContact OH-CD2 3.47Å; Y443-R505 HydrophobicContact CD2-CB 4.31Å; Y443-R505 HydrophobicContact CG-CB 4.44Å; Y443-R505 HydrophobicContact CG-CG 4.29Å; Y443-R505 PolarHBondContact O-NE 3.08Å; Y443-R505 PolarHBondContact O-NH1 3.32Å | ||
| 444 | F | 66.5 | Low | 74.5 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 45% | 0.452 | 29% | 0.29 | S | S | . | . | trans | -74.2 | 86.8 | 166.3 | -81.1 | -73.4 | 0 | 0 | 0 | 108.7 | R438 D442 T452 | R438-F444 HydrophobicContact CG-CB 4.31Å; D442-F444 HydrophobicContact CB-CD2 4.29Å; D442-F444 PolarHBondContact OD1-N 2.68Å; F444-T452 PolarHBondContact O-OG1 3.43Å | ||
| 445 | D | 80.6 | Confident | 75.6 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | trans | -97.1 | -29.3 | -163.4 | 54.2 | 14.3 | 0 | 0 | 0 | 115.5 | G392 F393 G394 Y443 P451 T452 R505 | G392-D445 WeakPolarHBondContact CA-OD2 3.42Å; F393-D445 HydrophobicContact CB-CB 4.46Å; F393-D445 HydrophobicContact CD1-CB 3.47Å; F393-D445 VanDerWaalsContact CD1-CB 3.47Å; F393-D445 HydrophobicContact CD2-CB 3.77Å; F393-D445 HydrophobicContact CE1-CB 3.44Å; F393-D445 VanDerWaalsContact CE1-CB 3.44Å; F393-D445 HydrophobicContact CE2-CB 3.75Å; F393-D445 HydrophobicContact CG-CB 3.63Å; F393-D445 VanDerWaalsContact CZ-CA 3.49Å; F393-D445 HydrophobicContact CZ-CB 3.57Å; F393-D445 PolarHBondContact N-OD2 3.15Å; G394-D445 WeakPolarHBondContact CA-OD2 3.25Å; G394-D445 PolarHBondContact N-OD2 2.85Å; Y443-D445 VanDerWaalsContact C-N 3.28Å; Y443-D445 PolarHBondContact O-N 2.98Å; D445-P451 WeakPolarHBondContact O-CA 3.32Å; D445-T452 PolarHBondContact O-N 3.04Å; D445-T452 PolarHBondContact O-OG1 3.28Å; D445-R505 IonicContact OD1-CZ 3.85Å; D445-R505 IonicContact OD1-NH2 3.87Å; D445-R505 PolarHBondContact OD1-NH2 3.4Å; D445-R505 IonicContact OD2-CZ 2.92Å; D445-R505 IonicContact OD2-NE 2.76Å; D445-R505 IonicContact OD2-NH2 2.69Å; D445-R505 PolarHBondContact OD2-NH2 3.43Å | ||
| 446 | L | 82.2 | Confident | 77.2 | Confident | 47 Ų | 47 | 38.7 Ų | 38.7 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.6 | 175.9 | -57.8 | 177.2 | 0 | 0 | 0 | 110.4 | F390 Q450 P451 | F390-L446 HydrophobicContact CB-CD2 3.75Å; F390-L446 WeakPolarHBondContact O-CD1 3.36Å; L446-Q450 CarbonylContact C-O 3.52Å; L446-Q450 VanDerWaalsContact CA-O 3.3Å; L446-Q450 WeakPolarHBondContact CA-O 3.28Å; L446-P451 HydrophobicContact CD2-CB 4.33Å |
| 447 | I | 75.7 | Confident | 78.9 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.3 | 162.7 | -66 | -173 | 0 | 0 | 0 | 107.2 | I432 A436 G449 Q450 T452 | I432-I447 HydrophobicContact CB-CD1 4.05Å; I432-I447 HydrophobicContact CG1-CD1 3.52Å; I432-I447 HydrophobicContact CG1-CG1 4.39Å; A436-I447 HydrophobicContact CB-CD1 3.7Å; I447-G449 PolarHBondContact O-N 3.13Å; I447-Q450 PolarHBondContact N-O 3.36Å; I447-Q450 WeakPolarHBondContact O-CB 3.47Å; I447-Q450 PolarHBondContact O-N 3.38Å; I447-T452 HydrophobicContact CB-CG2 4.22Å; I447-T452 HydrophobicContact CD1-CG2 4.19Å; I447-T452 HydrophobicContact CG1-CG2 3.75Å |
| 448 | D | 74.3 | Confident | 80.6 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 51.5 | -173.5 | -69.7 | -45.8 | 0 | 0 | 0 | 112.3 | Q450 K666 R670 L678 | D448-Q450 PolarHBondContact O-N 3.29Å; D448-K666 IonicContact OD1-NZ 3.24Å; D448-R670 VanDerWaalsContact C-CD 3.45Å; D448-R670 VanDerWaalsContact CA-CZ 3.44Å; D448-R670 VanDerWaalsContact CA-NE 3.29Å; D448-R670 WeakPolarHBondContact O-CD 3.48Å; D448-R670 PolarHBondContact O-NE 3.05Å; D448-R670 IonicContact OD1-CZ 2.86Å; D448-R670 IonicContact OD1-NE 2.92Å; D448-R670 IonicContact OD1-NH2 2.81Å; D448-R670 PolarHBondContact OD1-NH2 3.43Å; D448-R670 VanDerWaalsContact OD1-NH2 3.11Å; D448-L678 HydrophobicContact CB-CD2 4.32Å; D448-L678 WeakPolarHBondContact OD1-CD2 3.31Å |
| 449 | G | 77.1 | Confident | 82.2 | Confident | 16 Ų | 16 | 34 Ų | 34 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -4.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I447 | I447-G449 PolarHBondContact O-N 3.13Š|
| 450 | Q | 85.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 28.4 Ų | 28.4 | 47% | 0.472 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 135.4 | 175.3 | -64.9 | -57.9 | -29.8 | 0 | 0 | 110.3 | L446 I447 D448 T452 | L446-Q450 CarbonylContact C-O 3.52Å; L446-Q450 VanDerWaalsContact CA-O 3.3Å; L446-Q450 WeakPolarHBondContact CA-O 3.28Å; I447-Q450 PolarHBondContact N-O 3.36Å; I447-Q450 WeakPolarHBondContact O-CB 3.47Å; I447-Q450 PolarHBondContact O-N 3.38Å; D448-Q450 PolarHBondContact O-N 3.29Å; Q450-T452 PolarHBondContact O-N 3.22Å |
| 451 | P | 90.7 | Very high | 85.4 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 135.7 | 178.5 | 28.9 | -33.9 | 0 | 0 | 0 | 109.8 | F390 L422 D445 L446 | F390-P451 HydrophobicContact CD1-CG 4.1Å; F390-P451 HydrophobicContact CD2-CG 4.01Å; F390-P451 HydrophobicContact CE1-CG 4.15Å; F390-P451 HydrophobicContact CE2-CG 4.04Å; F390-P451 HydrophobicContact CG-CB 4.49Å; F390-P451 HydrophobicContact CG-CG 4Å; F390-P451 HydrophobicContact CZ-CG 4.1Å; L422-P451 WeakPolarHBondContact CD1-O 3.26Å; L422-P451 HydrophobicContact CD2-CG 4.09Å; D445-P451 WeakPolarHBondContact O-CA 3.32Å; L446-P451 HydrophobicContact CD2-CB 4.33Å |
| 452 | T | 88.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -90.9 | -9 | 173.5 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | F393 C411 C418 L422 I432 R438 F444 D445 I447 Q450 | F393-T452 WeakPolarHBondContact CE1-OG1 3.21Å; C411-T452 PolarHBondContact SG-O 2.98Å; C418-T452 PolarHBondContact SG-O 2.94Å; L422-T452 VanDerWaalsContact CD1-C 3.46Å; I432-T452 HydrophobicContact CD1-CG2 4.1Å; I432-T452 HydrophobicContact CG1-CG2 3.96Å; R438-T452 VanDerWaalsContact CZ-O 3.22Å; R438-T452 PolarHBondContact NH1-O 2.7Å; R438-T452 PolarHBondContact NH1-OG1 2.99Å; R438-T452 PolarHBondContact NH2-O 2.81Å; R438-T452 PolarHBondContact NH2-OG1 3.06Å; R438-T452 VanDerWaalsContact NH2-OG1 3.16Å; F444-T452 PolarHBondContact O-OG1 3.43Å; D445-T452 PolarHBondContact O-N 3.04Å; D445-T452 PolarHBondContact O-OG1 3.28Å; I447-T452 HydrophobicContact CB-CG2 4.22Å; I447-T452 HydrophobicContact CD1-CG2 4.19Å; I447-T452 HydrophobicContact CG1-CG2 3.75Å; Q450-T452 PolarHBondContact O-N 3.22Å |
| 453 | G | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -155.8 | -168.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111 | N382 G410 | N382-G453 PolarHBondContact ND2-O 2.98Å; N382-G453 PolarHBondContact OD1-O 3.42Å; G410-G453 WeakPolarHBondContact O-CA 3.48Å |
| 454 | A | 96.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 175 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | F175 Y364 T409 G410 F412 | F175-A454 HydrophobicContact CE2-CB 4.22Å; F175-A454 HydrophobicContact CZ-CB 3.7Å; Y364-A454 HydrophobicContact CD2-CB 3.91Å; Y364-A454 HydrophobicContact CE2-CB 3.68Å; T409-A454 CarbonylContact C-O 3.5Å; T409-A454 WeakPolarHBondContact CA-O 3.32Å; G410-A454 PolarHBondContact N-O 3.22Å; G410-A454 PolarHBondContact O-N 2.92Å; F412-A454 HydrophobicContact CE2-CB 4.03Å; F412-A454 HydrophobicContact CZ-CB 3.94Å; F412-A454 VanDerWaalsContact CZ-O 3.22Å; F412-A454 WeakPolarHBondContact CZ-O 3.24Å |
| 455 | V | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.8 | 161.1 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | A380 F381 F393 I396 L407 T409 | A380-V455 CarbonylContact C-O 3.56Å; A380-V455 VanDerWaalsContact CA-O 3.29Å; A380-V455 WeakPolarHBondContact CA-O 3.18Å; F381-V455 HydrophobicContact CD2-CB 4.47Å; F381-V455 HydrophobicContact CE1-CB 4.27Å; F381-V455 HydrophobicContact CE1-CG1 3.99Å; F381-V455 HydrophobicContact CE2-CB 4.21Å; F381-V455 HydrophobicContact CE2-CG1 4.32Å; F381-V455 HydrophobicContact CZ-CB 4.1Å; F381-V455 HydrophobicContact CZ-CG1 3.78Å; F381-V455 PolarHBondContact N-O 3.12Å; F381-V455 WeakPolarHBondContact O-CB 3.49Å; F381-V455 PolarHBondContact O-N 2.98Å; F393-V455 HydrophobicContact CB-CG2 4.27Å; I396-V455 HydrophobicContact CB-CG2 4.04Å; I396-V455 HydrophobicContact CG1-CG2 4.12Å; I396-V455 HydrophobicContact CG2-CG2 3.8Å; L407-V455 HydrophobicContact CD1-CG1 3.99Å; L407-V455 HydrophobicContact CD2-CG1 3.93Å; T409-V455 HydrophobicContact CG2-CG2 4.15Å |
| 456 | R | 98 | Very high | 92.1 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 3% | 0.034 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.1 | 172.8 | -179 | -175.1 | 72 | 178.4 | 0.7 | 109.8 | D32 G35 N174 I378 R408 F412 | D32-R456 IonicContact OD1-CZ 2.82Å; D32-R456 IonicContact OD1-NE 3.7Å; D32-R456 IonicContact OD1-NH2 2.68Å; D32-R456 PolarHBondContact OD1-NH2 3.45Å; G35-R456 VanDerWaalsContact N-NH2 3.12Å; N174-R456 WeakPolarHBondContact O-CD 3.34Å; N174-R456 PolarHBondContact O-NH1 3.11Å; I378-R456 HydrophobicContact CG2-CG 3.56Å; R408-R456 PolarHBondContact N-O 3.26Å; R408-R456 PolarHBondContact O-N 3.21Å; F412-R456 HydrophobicContact CD1-CB 3.91Å; F412-R456 HydrophobicContact CD2-CB 4.07Å; F412-R456 HydrophobicContact CE1-CB 3.41Å; F412-R456 VanDerWaalsContact CE1-CB 3.41Å; F412-R456 HydrophobicContact CE2-CB 3.62Å; F412-R456 HydrophobicContact CE2-CG 4.46Å; F412-R456 HydrophobicContact CG-CB 4.23Å; F412-R456 HydrophobicContact CZ-CB 3.27Å; F412-R456 HydrophobicContact CZ-CG 4.49Å |
| 457 | V | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.3 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | L31 L345 I378 V379 F381 F459 L471 | L31-V457 HydrophobicContact CB-CG1 4.11Å; L31-V457 HydrophobicContact CD1-CG1 4.09Å; L31-V457 HydrophobicContact CD2-CG1 4.26Å; L31-V457 HydrophobicContact CG-CG1 4.38Å; L345-V457 HydrophobicContact CD2-CB 4.01Å; L345-V457 HydrophobicContact CD2-CG1 3.62Å; L345-V457 HydrophobicContact CD2-CG2 4.35Å; I378-V457 CarbonylContact C-O 3.59Å; I378-V457 WeakPolarHBondContact CA-O 3.22Å; V379-V457 PolarHBondContact N-O 2.98Å; V379-V457 PolarHBondContact O-N 3.2Å; F381-V457 HydrophobicContact CE1-CG2 3.86Å; V457-F459 HydrophobicContact CG1-CE1 3.69Å; V457-F459 HydrophobicContact CG1-CE2 4.16Å; V457-F459 HydrophobicContact CG1-CZ 3.47Å; V457-F459 VanDerWaalsContact CG1-CZ 3.47Å; V457-L471 HydrophobicContact CB-CD2 4.46Å; V457-L471 HydrophobicContact CG1-CD2 4.12Å; V457-L471 HydrophobicContact CG2-CD2 3.6Å |
| 458 | S | 98.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.3 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | L31 D32 H33 A34 G377 | L31-S458 CarbonylContact C-O 3.56Å; L31-S458 PolarHBondContact O-N 3.32Å; L31-S458 VanDerWaalsContact O-O 3.11Å; L31-S458 PolarHBondContact O-OG 3.46Å; D32-S458 VanDerWaalsContact C-OG 3.25Å; D32-S458 WeakPolarHBondContact CA-OG 3.34Å; H33-S458 PolarHBondContact CD2-O 2.93Å; H33-S458 VanDerWaalsContact CD2-O 3.29Å; H33-S458 PolarHBondContact N-O 3.4Å; H33-S458 PolarHBondContact N-OG 2.89Å; A34-S458 WeakPolarHBondContact CB-OG 3.46Å; A34-S458 PolarHBondContact N-OG 2.84Å; G377-S458 WeakPolarHBondContact O-CA 3.38Å |
| 459 | F | 98.6 | Very high | 95 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | trans | -108.2 | 148.9 | -167.8 | -51.9 | -75 | 0 | 0 | 0 | 112.2 | L31 V338 L341 A342 L345 G377 V379 V457 T463 V468 | L31-F459 HydrophobicContact CD2-CD1 3.94Å; L31-F459 HydrophobicContact CD2-CE1 3.8Å; V338-F459 HydrophobicContact CB-CB 4.03Å; V338-F459 HydrophobicContact CG1-CB 4.09Å; V338-F459 WeakPolarHBondContact CG1-O 3.14Å; L341-F459 HydrophobicContact CB-CB 4.47Å; L341-F459 HydrophobicContact CB-CD1 4.13Å; L341-F459 HydrophobicContact CB-CD2 4.12Å; L341-F459 HydrophobicContact CB-CE1 4.41Å; L341-F459 HydrophobicContact CB-CE2 4.43Å; L341-F459 HydrophobicContact CB-CG 3.95Å; L341-F459 HydrophobicContact CD1-CB 4.05Å; L341-F459 HydrophobicContact CD1-CD1 4.18Å; L341-F459 HydrophobicContact CD1-CG 4.19Å; A342-F459 HydrophobicContact CB-CD2 3.73Å; A342-F459 HydrophobicContact CB-CE2 3.52Å; L345-F459 HydrophobicContact CB-CZ 4.15Å; L345-F459 HydrophobicContact CD2-CE2 4.46Å; L345-F459 HydrophobicContact CD2-CZ 3.69Å; G377-F459 VanDerWaalsContact O-CD2 3.3Å; G377-F459 WeakPolarHBondContact O-CD2 3.39Å; G377-F459 PolarHBondContact O-N 3.04Å; G377-F459 VanDerWaalsContact O-N 3.09Å; V379-F459 HydrophobicContact CG2-CE2 4.27Å; V457-F459 HydrophobicContact CG1-CE1 3.69Å; V457-F459 HydrophobicContact CG1-CE2 4.16Å; V457-F459 HydrophobicContact CG1-CZ 3.47Å; V457-F459 VanDerWaalsContact CG1-CZ 3.47Å; F459-T463 HydrophobicContact CD1-CG2 3.67Å; F459-T463 HydrophobicContact CE1-CG2 4.39Å; F459-V468 HydrophobicContact CD1-CG2 4.42Å; F459-V468 HydrophobicContact CE1-CG2 3.71Å; F459-V468 HydrophobicContact CZ-CG2 4.29Å | ||
| 460 | G | 98 | Very high | 96 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -114.5 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H33 M462 T463 | H33-G460 PolarHBondContact CD2-N 3.35Å; G460-M462 PolarHBondContact O-N 3.11Å; G460-T463 PolarHBondContact N-OG1 2.92Å; G460-T463 PolarHBondContact O-N 2.69Å; G460-T463 VanDerWaalsContact O-N 3.08Å; G460-T463 PolarHBondContact O-OG1 2.79Å | ||
| 461 | Y | 97.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.5 | 177 | 67.6 | -96.8 | 0 | 0 | 0 | 112.9 | F8 I16 F20 L318 L321 V322 I334 | F8-Y461 VanDerWaalsContact CE2-O 3.28Å; F8-Y461 WeakPolarHBondContact CE2-O 3.4Å; I16-Y461 HydrophobicContact CD1-CD2 4.37Å; I16-Y461 HydrophobicContact CG1-CD2 4.47Å; I16-Y461 HydrophobicContact CG2-CD2 4.12Å; I16-Y461 HydrophobicContact CG2-CE2 4.25Å; F20-Y461 HydrophobicContact CE2-CE2 4.01Å; F20-Y461 HydrophobicContact CZ-CE2 4.24Å; L318-Y461 HydrophobicContact CD1-CD1 3.93Å; L318-Y461 HydrophobicContact CD1-CE1 3.62Å; L321-Y461 HydrophobicContact CB-CE2 4.4Å; L321-Y461 HydrophobicContact CD1-CE2 4.01Å; V322-Y461 HydrophobicContact CG2-CD2 3.91Å; V322-Y461 HydrophobicContact CG2-CG 4.09Å; I334-Y461 HydrophobicContact CD1-CD1 4.21Å; I334-Y461 HydrophobicContact CD1-CG 4.45Å |
| 462 | M | 97.2 | Very high | 97 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.044 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -10.3 | 175.5 | 62.4 | -74.4 | -86.5 | 0 | 0 | 114.4 | I16 F20 H33 L38 G460 | I16-M462 HydrophobicContact CG2-CB 3.7Å; F20-M462 HydrophobicContact CD1-CE 4.34Å; F20-M462 HydrophobicContact CD1-CG 4.46Å; F20-M462 HydrophobicContact CD2-CB 3.51Å; F20-M462 HydrophobicContact CD2-CG 4.14Å; F20-M462 HydrophobicContact CE1-CE 3.44Å; F20-M462 VanDerWaalsContact CE1-CE 3.44Å; F20-M462 HydrophobicContact CE1-CG 4.39Å; F20-M462 HydrophobicContact CE2-CB 3.53Å; F20-M462 HydrophobicContact CE2-CE 3.87Å; F20-M462 HydrophobicContact CE2-CG 4.11Å; F20-M462 HydrophobicContact CG-CB 4.15Å; F20-M462 HydrophobicContact CG-CG 4.36Å; F20-M462 HydrophobicContact CZ-CB 4.15Å; F20-M462 HydrophobicContact CZ-CE 3.18Å; F20-M462 HydrophobicContact CZ-CG 4.25Å; H33-M462 PolarHBondContact CE1-SD 2.96Å; L38-M462 HydrophobicContact CB-CE 4.09Å; L38-M462 VanDerWaalsContact O-CE 3.3Å; L38-M462 WeakPolarHBondContact O-CE 3.47Å; G460-M462 PolarHBondContact O-N 3.11Å |
| 463 | T | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | trans | -73.8 | 138.1 | 179.1 | -45.6 | 0 | 0 | 0 | 0 | 110.6 | L31 H33 H337 L341 F459 G460 D467 | L31-T463 HydrophobicContact CD2-CG2 3.81Å; H33-T463 PolarHBondContact NE2-OG1 3.16Å; H337-T463 PolarHBondContact CE1-O 3.43Å; H337-T463 PolarHBondContact NE2-O 3.03Å; L341-T463 HydrophobicContact CD1-CG2 4.19Å; L341-T463 WeakPolarHBondContact CD1-O 3.22Å; F459-T463 HydrophobicContact CD1-CG2 3.67Å; F459-T463 HydrophobicContact CE1-CG2 4.39Å; G460-T463 PolarHBondContact N-OG1 2.92Å; G460-T463 PolarHBondContact O-N 2.69Å; G460-T463 VanDerWaalsContact O-N 3.08Å; G460-T463 PolarHBondContact O-OG1 2.79Å; T463-D467 HydrophobicContact CG2-CB 3.77Å | ||
| 464 | T | 96.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | trans | -106 | 168.4 | -179.8 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | Q466 D467 V468 | T464-Q466 VanDerWaalsContact C-N 3.25Å; T464-Q466 PolarHBondContact O-N 2.98Å; T464-Q466 PolarHBondContact OG1-N 3.33Å; T464-D467 PolarHBondContact N-OD2 3.34Å; T464-D467 WeakPolarHBondContact O-CB 3.48Å; T464-D467 PolarHBondContact O-N 2.8Å; T464-D467 PolarHBondContact OG1-N 3.31Å; T464-D467 PolarHBondContact OG1-OD2 2.85Å; T464-V468 PolarHBondContact O-N 2.88Å | ||
| 465 | I | 96.4 | Very high | 97.8 | Very high | 37 Ų | 37 | 23.8 Ų | 23.8 | 19% | 0.19 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -31.5 | 171.3 | -168.1 | 179.5 | 0 | 0 | 0 | 111.4 | Y4 L341 Y344 D467 V468 D469 | Y4-I465 HydrophobicContact CD1-CB 4.13Å; Y4-I465 HydrophobicContact CD1-CD1 3.67Å; Y4-I465 HydrophobicContact CD1-CG1 4.26Å; Y4-I465 HydrophobicContact CE1-CB 4.14Å; Y4-I465 HydrophobicContact CG-CD1 3.82Å; Y4-I465 HydrophobicContact CG-CG1 4.46Å; L341-I465 HydrophobicContact CD2-CB 4.49Å; Y344-I465 HydrophobicContact CD1-CD1 4.24Å; Y344-I465 HydrophobicContact CD1-CG1 3.96Å; Y344-I465 HydrophobicContact CE1-CD1 3.86Å; Y344-I465 HydrophobicContact CE1-CG1 3.63Å; Y344-I465 HydrophobicContact CE2-CD1 4.24Å; I465-D467 VanDerWaalsContact C-N 3.28Å; I465-D467 PolarHBondContact O-N 2.93Å; I465-V468 WeakPolarHBondContact O-CA 3.35Å; I465-V468 WeakPolarHBondContact O-CB 3.09Å; I465-V468 PolarHBondContact O-N 3.03Å; I465-V468 VanDerWaalsContact O-N 3.09Å; I465-D469 PolarHBondContact O-N 3.38Å |
| 466 | Q | 96 | Very high | 97.8 | Very high | 124 Ų | 124 | 28.1 Ų | 28.1 | 58% | 0.579 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -63.7 | -35.4 | 177.9 | -68.6 | 76 | 9.8 | 0 | 0 | 111.7 | T464 V468 D469 K470 | T464-Q466 VanDerWaalsContact C-N 3.25Å; T464-Q466 PolarHBondContact O-N 2.98Å; T464-Q466 PolarHBondContact OG1-N 3.33Å; Q466-V468 VanDerWaalsContact C-N 3.33Å; Q466-D469 PolarHBondContact O-N 3.22Å; Q466-K470 WeakPolarHBondContact O-CB 3.44Å; Q466-K470 PolarHBondContact O-N 3.08Å |
| 467 | D | 97.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 172.7 | -65 | -44.8 | 0 | 0 | 0 | 111.5 | V29 T463 T464 I465 K470 L471 | V29-D467 HydrophobicContact CG1-CB 3.69Å; T463-D467 HydrophobicContact CG2-CB 3.77Å; T464-D467 PolarHBondContact N-OD2 3.34Å; T464-D467 WeakPolarHBondContact O-CB 3.48Å; T464-D467 PolarHBondContact O-N 2.8Å; T464-D467 PolarHBondContact OG1-N 3.31Å; T464-D467 PolarHBondContact OG1-OD2 2.85Å; I465-D467 VanDerWaalsContact C-N 3.28Å; I465-D467 PolarHBondContact O-N 2.93Å; D467-K470 PolarHBondContact O-N 3.27Å; D467-L471 PolarHBondContact O-N 3.43Å |
| 468 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | L341 Y344 L345 F459 T464 I465 Q466 K470 L471 L472 | L341-V468 HydrophobicContact CB-CG2 4.44Å; L341-V468 HydrophobicContact CD2-CG2 4Å; Y344-V468 HydrophobicContact CD1-CB 4.31Å; Y344-V468 HydrophobicContact CD1-CG1 3.81Å; Y344-V468 HydrophobicContact CE1-CB 4.38Å; Y344-V468 HydrophobicContact CE1-CG1 4.02Å; L345-V468 HydrophobicContact CB-CG1 3.67Å; L345-V468 HydrophobicContact CD1-CG1 3.82Å; L345-V468 HydrophobicContact CG-CG1 4.22Å; F459-V468 HydrophobicContact CD1-CG2 4.42Å; F459-V468 HydrophobicContact CE1-CG2 3.71Å; F459-V468 HydrophobicContact CZ-CG2 4.29Å; T464-V468 PolarHBondContact O-N 2.88Å; I465-V468 WeakPolarHBondContact O-CA 3.35Å; I465-V468 WeakPolarHBondContact O-CB 3.09Å; I465-V468 PolarHBondContact O-N 3.03Å; I465-V468 VanDerWaalsContact O-N 3.09Å; Q466-V468 VanDerWaalsContact C-N 3.33Å; V468-K470 VanDerWaalsContact C-N 3.3Å; V468-K470 PolarHBondContact O-N 2.93Å; V468-L471 WeakPolarHBondContact O-CB 3.36Å; V468-L471 PolarHBondContact O-N 3.31Å; V468-L472 HydrophobicContact CG1-CD1 4.19Å; V468-L472 WeakPolarHBondContact O-CG 3.23Å; V468-L472 PolarHBondContact O-N 3.48Å |
| 469 | D | 97.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 31% | 0.305 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.1 | -33.7 | 179.5 | -73.9 | -28.3 | 0 | 0 | 0 | 112.1 | Y344 I465 Q466 L472 Q473 | Y344-D469 WeakPolarHBondContact CE1-OD1 3.36Å; Y344-D469 PolarHBondContact OH-OD1 3.04Å; I465-D469 PolarHBondContact O-N 3.38Å; Q466-D469 PolarHBondContact O-N 3.22Å; D469-L472 PolarHBondContact O-N 3.45Å; D469-Q473 WeakPolarHBondContact O-CB 3.45Å; D469-Q473 PolarHBondContact O-N 3.27Å |
| 470 | K | 98.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 30% | 0.296 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.4 | -38.6 | 174.5 | -175.7 | 157.4 | 161.5 | -164.2 | 0 | 112 | K27 V29 H403 I405 Q466 D467 V468 Q473 M474 | K27-K470 PolarHBondContact O-NZ 3.42Å; K27-K470 VanDerWaalsContact O-NZ 3.14Å; V29-K470 HydrophobicContact CG2-CB 4.34Å; V29-K470 HydrophobicContact CG2-CD 3.6Å; V29-K470 HydrophobicContact CG2-CG 4.17Å; H403-K470 VanDerWaalsContact O-CE 3.22Å; H403-K470 WeakPolarHBondContact O-CE 3.39Å; I405-K470 HydrophobicContact CD1-CG 4.28Å; Q466-K470 WeakPolarHBondContact O-CB 3.44Å; Q466-K470 PolarHBondContact O-N 3.08Å; D467-K470 PolarHBondContact O-N 3.27Å; V468-K470 VanDerWaalsContact C-N 3.3Å; V468-K470 PolarHBondContact O-N 2.93Å; K470-Q473 PolarHBondContact O-N 2.83Å; K470-M474 PolarHBondContact O-N 3.2Å |
| 471 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 170 | 175 | 69.9 | 0 | 0 | 0 | 111.7 | L31 L345 I405 L407 V457 D467 V468 Q473 M474 L475 | L31-L471 HydrophobicContact CD1-CB 4.04Å; L31-L471 HydrophobicContact CD1-CD2 4.05Å; L31-L471 HydrophobicContact CD1-CG 4.47Å; L345-L471 HydrophobicContact CD1-CD2 4.06Å; L345-L471 HydrophobicContact CD2-CD2 3.92Å; I405-L471 HydrophobicContact CD1-CB 4.3Å; I405-L471 HydrophobicContact CD1-CD1 4.33Å; I405-L471 HydrophobicContact CG2-CD1 4.38Å; L407-L471 HydrophobicContact CD2-CD1 4.08Å; V457-L471 HydrophobicContact CB-CD2 4.46Å; V457-L471 HydrophobicContact CG1-CD2 4.12Å; V457-L471 HydrophobicContact CG2-CD2 3.6Å; D467-L471 PolarHBondContact O-N 3.43Å; V468-L471 WeakPolarHBondContact O-CB 3.36Å; V468-L471 PolarHBondContact O-N 3.31Å; L471-Q473 VanDerWaalsContact C-N 3.3Å; L471-Q473 PolarHBondContact O-N 2.92Å; L471-M474 HydrophobicContact CD1-CE 3.7Å; L471-M474 HydrophobicContact CD1-SD 4.48Å; L471-M474 WeakPolarHBondContact O-CB 3.3Å; L471-M474 PolarHBondContact O-N 3.49Å; L471-L475 HydrophobicContact CG-CD1 4.38Å; L471-L475 WeakPolarHBondContact O-CG 3.24Å; L471-L475 PolarHBondContact O-N 3.25Å |
| 472 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 177.9 | -72 | 167.3 | 0 | 0 | 0 | 111.8 | Y344 L345 Q348 L349 L352 V468 D469 L475 R476 | Y344-L472 HydrophobicContact CE1-CD1 4.26Å; L345-L472 HydrophobicContact CD1-CD1 4.45Å; L345-L472 HydrophobicContact CD1-CD2 3.78Å; L345-L472 HydrophobicContact CD1-CG 3.94Å; Q348-L472 HydrophobicContact CB-CD1 3.5Å; Q348-L472 HydrophobicContact CB-CD2 3.66Å; Q348-L472 HydrophobicContact CB-CG 4.25Å; Q348-L472 HydrophobicContact CG-CD1 3.69Å; L349-L472 HydrophobicContact CD2-CD2 3.98Å; L349-L472 HydrophobicContact CG-CD2 4.3Å; L352-L472 HydrophobicContact CD1-CD2 4.24Å; V468-L472 HydrophobicContact CG1-CD1 4.19Å; V468-L472 WeakPolarHBondContact O-CG 3.23Å; V468-L472 PolarHBondContact O-N 3.48Å; D469-L472 PolarHBondContact O-N 3.45Å; L472-L475 PolarHBondContact O-N 3.41Å; L472-R476 VanDerWaalsContact O-CG 3.3Å; L472-R476 WeakPolarHBondContact O-CG 3.29Å; L472-R476 PolarHBondContact O-N 3.28Å |
| 473 | Q | 98.2 | Very high | 96.2 | Very high | 133 Ų | 133 | 45.6 Ų | 45.6 | 62% | 0.621 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.9 | -47.1 | 175.2 | -175.5 | -179.9 | 10.2 | 0 | 0 | 111.1 | D469 K470 L471 L475 R476 S477 | D469-Q473 WeakPolarHBondContact O-CB 3.45Å; D469-Q473 PolarHBondContact O-N 3.27Å; K470-Q473 PolarHBondContact O-N 2.83Å; L471-Q473 VanDerWaalsContact C-N 3.3Å; L471-Q473 PolarHBondContact O-N 2.92Å; Q473-L475 VanDerWaalsContact C-N 3.31Å; Q473-L475 PolarHBondContact O-N 3.11Å; Q473-R476 PolarHBondContact O-N 2.85Å; Q473-S477 WeakPolarHBondContact O-CB 3.43Å; Q473-S477 PolarHBondContact O-N 3.29Å; Q473-S477 PolarHBondContact O-OG 3.45Å; Q473-S477 VanDerWaalsContact O-OG 3.08Å |
| 474 | M | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -45.7 | 174.8 | 178.1 | -149.2 | 74.1 | 0 | 0 | 111.3 | V399 A400 H403 I405 K470 L471 S477 S478 | V399-M474 HydrophobicContact CG1-CG 3.74Å; V399-M474 HydrophobicContact CG1-SD 3.94Å; A400-M474 VanDerWaalsContact CA-SD 3.53Å; A400-M474 HydrophobicContact CB-SD 3.98Å; H403-M474 HydrophobicContact CB-CB 4.46Å; H403-M474 HydrophobicContact CB-CG 4.11Å; I405-M474 HydrophobicContact CD1-CB 3.96Å; I405-M474 HydrophobicContact CD1-CG 4.38Å; I405-M474 HydrophobicContact CD1-SD 3.91Å; K470-M474 PolarHBondContact O-N 3.2Å; L471-M474 HydrophobicContact CD1-CE 3.7Å; L471-M474 HydrophobicContact CD1-SD 4.48Å; L471-M474 WeakPolarHBondContact O-CB 3.3Å; L471-M474 PolarHBondContact O-N 3.49Å; M474-S477 PolarHBondContact O-OG 3.01Å; M474-S477 VanDerWaalsContact O-OG 3.12Å; M474-S478 WeakPolarHBondContact O-CB 2.97Å; M474-S478 PolarHBondContact O-N 3.17Å; M474-S478 PolarHBondContact O-OG 3.48Å |
| 475 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 179 | -71.4 | 172.5 | 0 | 0 | 0 | 111.9 | L349 L352 L360 F381 V383 L471 L472 Q473 Y479 | L349-L475 HydrophobicContact CD2-CD1 3.43Å; L349-L475 VanDerWaalsContact CD2-CD1 3.43Å; L352-L475 HydrophobicContact CD1-CB 4.35Å; L360-L475 HydrophobicContact CD2-CB 4.33Å; F381-L475 HydrophobicContact CE2-CD1 4.4Å; F381-L475 HydrophobicContact CE2-CD2 4.45Å; F381-L475 HydrophobicContact CZ-CD1 4.26Å; V383-L475 HydrophobicContact CG2-CD2 4.05Å; L471-L475 HydrophobicContact CG-CD1 4.38Å; L471-L475 WeakPolarHBondContact O-CG 3.24Å; L471-L475 PolarHBondContact O-N 3.25Å; L472-L475 PolarHBondContact O-N 3.41Å; Q473-L475 VanDerWaalsContact C-N 3.31Å; Q473-L475 PolarHBondContact O-N 3.11Å; L475-Y479 HydrophobicContact CD2-CD2 4Å; L475-Y479 HydrophobicContact CD2-CE2 4.2Å; L475-Y479 WeakPolarHBondContact O-CB 3.41Å; L475-Y479 PolarHBondContact O-N 3.48Å |
| 476 | R | 97.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -64.3 | -49.9 | 178 | -71.8 | 176.5 | -176 | 119 | 1.3 | 111.9 | L352 L472 Q473 S478 L480 A481 | L352-R476 HydrophobicContact CD2-CG 3.9Å; L472-R476 VanDerWaalsContact O-CG 3.3Å; L472-R476 WeakPolarHBondContact O-CG 3.29Å; L472-R476 PolarHBondContact O-N 3.28Å; Q473-R476 PolarHBondContact O-N 2.85Å; R476-S478 PolarHBondContact O-N 3.49Å; R476-L480 HydrophobicContact CG-CD1 4.27Å; R476-L480 WeakPolarHBondContact O-CB 3.2Å; R476-L480 PolarHBondContact O-N 2.65Å; R476-A481 PolarHBondContact O-N 2.78Å |
| 477 | S | 96.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -64.2 | -42.3 | -178.3 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | Q473 M474 T482 | Q473-S477 WeakPolarHBondContact O-CB 3.43Å; Q473-S477 PolarHBondContact O-N 3.29Å; Q473-S477 PolarHBondContact O-OG 3.45Å; Q473-S477 VanDerWaalsContact O-OG 3.08Å; M474-S477 PolarHBondContact O-OG 3.01Å; M474-S477 VanDerWaalsContact O-OG 3.12Å; S477-T482 WeakPolarHBondContact O-CB 3.47Å; S477-T482 PolarHBondContact O-N 3.03Å; S477-T482 PolarHBondContact O-OG1 3.37Å |
| 478 | S | 96 | Very high | 94 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -85.7 | -37.4 | -170.8 | -52.9 | 0 | 0 | 0 | 0 | 113 | V399 M474 R476 R487 | V399-S478 VanDerWaalsContact CG1-OG 3.29Å; V399-S478 WeakPolarHBondContact CG1-OG 3.48Å; M474-S478 WeakPolarHBondContact O-CB 2.97Å; M474-S478 PolarHBondContact O-N 3.17Å; M474-S478 PolarHBondContact O-OG 3.48Å; R476-S478 PolarHBondContact O-N 3.49Å; S478-R487 VanDerWaalsContact O-CD 3.3Å; S478-R487 WeakPolarHBondContact O-CD 3.46Å; S478-R487 PolarHBondContact O-NH1 3.3Å |
| 479 | Y | 95.7 | Very high | 93.6 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -113.8 | -12.7 | -170.2 | -58.7 | -82.1 | 0 | 0 | 0 | 114.9 | V383 V391 I396 V399 L475 R487 | V383-Y479 HydrophobicContact CG1-CD1 3.87Å; V383-Y479 HydrophobicContact CG1-CD2 4.5Å; V383-Y479 HydrophobicContact CG1-CE1 4.41Å; V383-Y479 HydrophobicContact CG1-CG 3.95Å; V391-Y479 HydrophobicContact CG1-CE1 3.86Å; V391-Y479 HydrophobicContact CG2-CD1 4.32Å; V391-Y479 HydrophobicContact CG2-CE1 4.43Å; I396-Y479 HydrophobicContact CD1-CD1 4.5Å; I396-Y479 HydrophobicContact CD1-CE1 3.58Å; I396-Y479 HydrophobicContact CD1-CE2 3.85Å; I396-Y479 WeakPolarHBondContact CD1-OH 3.47Å; V399-Y479 HydrophobicContact CG1-CE2 4.29Å; V399-Y479 VanDerWaalsContact CG2-OH 3.28Å; V399-Y479 WeakPolarHBondContact CG2-OH 3.3Å; L475-Y479 HydrophobicContact CD2-CD2 4Å; L475-Y479 HydrophobicContact CD2-CE2 4.2Å; L475-Y479 WeakPolarHBondContact O-CB 3.41Å; L475-Y479 PolarHBondContact O-N 3.48Å; Y479-R487 VanDerWaalsContact CE1-NE 3.29Å |
| 480 | L | 95.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -109.3 | -38 | 172.9 | -61.8 | 177.7 | 0 | 0 | 0 | 112.7 | L352 H353 L360 R476 | L352-L480 HydrophobicContact CB-CD1 4.34Å; L352-L480 HydrophobicContact CD2-CD1 4.28Å; H353-L480 WeakPolarHBondContact O-CD2 3.15Å; L360-L480 HydrophobicContact CB-CD2 4.29Å; L360-L480 HydrophobicContact CD1-CD2 3.97Å; L360-L480 HydrophobicContact CD1-CG 4.42Å; L360-L480 HydrophobicContact CD2-CD1 4.16Å; L360-L480 HydrophobicContact CD2-CD2 4.16Å; L360-L480 HydrophobicContact CD2-CG 3.94Å; L360-L480 HydrophobicContact CG-CD2 4.35Å; R476-L480 HydrophobicContact CG-CD1 4.27Å; R476-L480 WeakPolarHBondContact O-CB 3.2Å; R476-L480 PolarHBondContact O-N 2.65Å |
| 481 | A | 92.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -93 | -20.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R476 | R476-A481 PolarHBondContact O-N 2.78Š|
| 482 | T | 90 | Very high | 92.7 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -114.3 | 131.2 | -173.3 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | S477 Q486 R487 | S477-T482 WeakPolarHBondContact O-CB 3.47Å; S477-T482 PolarHBondContact O-N 3.03Å; S477-T482 PolarHBondContact O-OG1 3.37Å; T482-Q486 HydrophobicContact CG2-CB 3.67Å; T482-R487 HydrophobicContact CG2-CB 4.01Å; T482-R487 PolarHBondContact O-NH1 2.86Å |
| 483 | K | 87.5 | Confident | 92.5 | Very high | 150 Ų | 150 | 60.7 Ų | 60.7 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | trans | -68.1 | 151.1 | 176.6 | -66.8 | -174.6 | 178 | -177.5 | 0 | 111 | L485 Q486 R487 | K483-L485 PolarHBondContact O-N 3.22Å; K483-Q486 HydrophobicContact CB-CG 4.45Å; K483-Q486 PolarHBondContact O-N 2.79Å; K483-Q486 VanDerWaalsContact O-N 3.14Å; K483-R487 PolarHBondContact O-N 3.28Å | ||
| 484 | P | 85.6 | Confident | 92.3 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -50.2 | -48.3 | -178.8 | -29 | 35.5 | 0 | 0 | 0 | 114.6 | Q486 R487 I488 | P484-Q486 PolarHBondContact O-N 2.99Å; P484-R487 WeakPolarHBondContact O-CB 3.17Å; P484-R487 PolarHBondContact O-N 3.29Å; P484-I488 WeakPolarHBondContact O-CG1 3.47Å; P484-I488 PolarHBondContact O-N 3.43Å |
| 485 | L | 82.4 | Confident | 91.9 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 179.9 | -66.4 | 175.1 | 0 | 0 | 0 | 112.9 | K483 R487 I488 Q489 V780 | K483-L485 PolarHBondContact O-N 3.22Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 2.99Å; L485-I488 PolarHBondContact O-N 3.08Å; L485-Q489 WeakPolarHBondContact O-CB 3.43Å; L485-Q489 PolarHBondContact O-N 3.45Å; L485-V780 HydrophobicContact CD1-CB 4.39Å |
| 486 | Q | 88.5 | Confident | 91.7 | Very high | 108 Ų | 108 | 65.1 Ų | 65.1 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 177.2 | -68.8 | 174.2 | -33.8 | 0 | 0 | 111.3 | T482 K483 P484 F490 | T482-Q486 HydrophobicContact CG2-CB 3.67Å; K483-Q486 HydrophobicContact CB-CG 4.45Å; K483-Q486 PolarHBondContact O-N 2.79Å; K483-Q486 VanDerWaalsContact O-N 3.14Å; P484-Q486 PolarHBondContact O-N 2.99Å; Q486-F490 WeakPolarHBondContact O-CB 3.44Å; Q486-F490 PolarHBondContact O-N 2.78Å |
| 487 | R | 91.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 67 Ų | 67 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 176.9 | -177 | 171.8 | 62.9 | -102 | -4.9 | 112 | E395 V399 S478 Y479 T482 K483 P484 L485 Q489 F490 I491 | E395-R487 IonicContact OE1-CZ 3.4Å; E395-R487 IonicContact OE1-NE 2.8Å; E395-R487 PolarHBondContact OE1-NE 3.41Å; E395-R487 IonicContact OE1-NH2 2.69Å; E395-R487 PolarHBondContact OE1-NH2 2.82Å; V399-R487 HydrophobicContact CG2-CG 4.27Å; S478-R487 VanDerWaalsContact O-CD 3.3Å; S478-R487 WeakPolarHBondContact O-CD 3.46Å; S478-R487 PolarHBondContact O-NH1 3.3Å; Y479-R487 VanDerWaalsContact CE1-NE 3.29Å; T482-R487 HydrophobicContact CG2-CB 4.01Å; T482-R487 PolarHBondContact O-NH1 2.86Å; K483-R487 PolarHBondContact O-N 3.28Å; P484-R487 WeakPolarHBondContact O-CB 3.17Å; P484-R487 PolarHBondContact O-N 3.29Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 2.99Å; R487-Q489 VanDerWaalsContact C-N 3.33Å; R487-F490 WeakPolarHBondContact O-CB 3.49Å; R487-F490 PolarHBondContact O-N 3.47Å; R487-I491 HydrophobicContact CG-CD1 4.31Å; R487-I491 WeakPolarHBondContact O-CG1 3.27Å; R487-I491 PolarHBondContact O-N 2.89Å |
| 488 | I | 89.1 | Confident | 91.2 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.4 | -67.7 | 168.7 | 0 | 0 | 0 | 110 | P484 L485 F490 I491 E492 L509 R510 | P484-I488 WeakPolarHBondContact O-CG1 3.47Å; P484-I488 PolarHBondContact O-N 3.43Å; L485-I488 PolarHBondContact O-N 3.08Å; I488-F490 PolarHBondContact O-N 2.88Å; I488-I491 WeakPolarHBondContact O-CB 3.3Å; I488-I491 PolarHBondContact O-N 2.95Å; I488-I491 VanDerWaalsContact O-N 3.12Å; I488-E492 HydrophobicContact CG2-CG 4.5Å; I488-E492 WeakPolarHBondContact O-CG 3.46Å; I488-E492 PolarHBondContact O-N 3.05Å; I488-L509 HydrophobicContact CG2-CB 4.27Å; I488-R510 HydrophobicContact CG2-CG 3.98Å |
| 489 | Q | 89.5 | Confident | 90.8 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 175.9 | -178.2 | 179.8 | -5.9 | 0 | 0 | 112 | L485 R487 I491 E492 E493 | L485-Q489 WeakPolarHBondContact O-CB 3.43Å; L485-Q489 PolarHBondContact O-N 3.45Å; R487-Q489 VanDerWaalsContact C-N 3.33Å; Q489-I491 VanDerWaalsContact C-N 3.3Å; Q489-I491 PolarHBondContact O-N 2.9Å; Q489-E492 PolarHBondContact O-N 2.78Å; Q489-E493 HydrophobicContact CG-CG 4.36Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.46Å; Q489-E493 PolarHBondContact NE2-OE1 3.14Å; Q489-E493 WeakPolarHBondContact O-CG 3.36Å; Q489-E493 PolarHBondContact O-N 2.76Å |
| 490 | F | 92.7 | Very high | 90.4 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 174.8 | 167.4 | -101.5 | 0 | 0 | 0 | 112.3 | L402 Q486 R487 I488 E492 Q494 | L402-F490 HydrophobicContact CB-CE1 4.18Å; L402-F490 HydrophobicContact CB-CZ 4.35Å; L402-F490 HydrophobicContact CD1-CD1 4.11Å; L402-F490 HydrophobicContact CD1-CE1 3.56Å; L402-F490 HydrophobicContact CD1-CZ 4.13Å; Q486-F490 WeakPolarHBondContact O-CB 3.44Å; Q486-F490 PolarHBondContact O-N 2.78Å; R487-F490 WeakPolarHBondContact O-CB 3.49Å; R487-F490 PolarHBondContact O-N 3.47Å; I488-F490 PolarHBondContact O-N 2.88Å; F490-E492 VanDerWaalsContact C-N 3.35Å; F490-Q494 HydrophobicContact CD2-CG 4.18Å; F490-Q494 HydrophobicContact CE2-CG 3.86Å; F490-Q494 HydrophobicContact CZ-CG 4.27Å; F490-Q494 WeakPolarHBondContact O-CG 3.32Å; F490-Q494 PolarHBondContact O-N 2.82Å |
| 491 | I | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.6 | -66.2 | 164.1 | 0 | 0 | 0 | 110.9 | E395 C398 V399 L402 R487 I488 Q489 Q494 A495 L498 V506 L509 | E395-I491 HydrophobicContact CG-CD1 3.85Å; C398-I491 HydrophobicContact CB-CD1 4.25Å; C398-I491 HydrophobicContact CB-CG1 4.4Å; C398-I491 HydrophobicContact CB-CG2 3.82Å; V399-I491 HydrophobicContact CG2-CD1 3.69Å; V399-I491 HydrophobicContact CG2-CG1 4.06Å; L402-I491 HydrophobicContact CD1-CB 4.49Å; L402-I491 HydrophobicContact CD1-CG1 4.24Å; R487-I491 HydrophobicContact CG-CD1 4.31Å; R487-I491 WeakPolarHBondContact O-CG1 3.27Å; R487-I491 PolarHBondContact O-N 2.89Å; I488-I491 WeakPolarHBondContact O-CB 3.3Å; I488-I491 PolarHBondContact O-N 2.95Å; I488-I491 VanDerWaalsContact O-N 3.12Å; Q489-I491 VanDerWaalsContact C-N 3.3Å; Q489-I491 PolarHBondContact O-N 2.9Å; I491-Q494 CarbonylContact O-C 3.56Å; I491-Q494 PolarHBondContact O-N 2.99Å; I491-A495 WeakPolarHBondContact O-CA 3.29Å; I491-A495 PolarHBondContact O-N 3.12Å; I491-L498 HydrophobicContact CG2-CD1 4.19Å; I491-V506 HydrophobicContact CG2-CB 4.46Å; I491-V506 HydrophobicContact CG2-CG1 4.14Å; I491-V506 HydrophobicContact CG2-CG2 3.62Å; I491-L509 HydrophobicContact CB-CD1 4.41Å; I491-L509 HydrophobicContact CD1-CD1 3.93Å; I491-L509 HydrophobicContact CG2-CD1 3.87Å |
| 492 | E | 91.2 | Very high | 89.6 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 179.3 | -71.8 | 167.6 | 156.3 | 0 | 0 | 112.6 | I488 Q489 F490 Q494 A495 V506 R510 | I488-E492 HydrophobicContact CG2-CG 4.5Å; I488-E492 WeakPolarHBondContact O-CG 3.46Å; I488-E492 PolarHBondContact O-N 3.05Å; Q489-E492 PolarHBondContact O-N 2.78Å; F490-E492 VanDerWaalsContact C-N 3.35Å; E492-Q494 PolarHBondContact O-N 3.36Å; E492-A495 VanDerWaalsContact O-CB 3.23Å; E492-A495 WeakPolarHBondContact O-CB 3.36Å; E492-A495 PolarHBondContact O-N 3.22Å; E492-A495 VanDerWaalsContact O-N 3.12Å; E492-V506 HydrophobicContact CB-CG1 4.24Å; E492-V506 HydrophobicContact CG-CG1 3.46Å; E492-V506 VanDerWaalsContact CG-CG1 3.46Å; E492-R510 WeakPolarHBondContact OE1-CD 3.45Å; E492-R510 WeakPolarHBondContact OE1-CG 3.4Å; E492-R510 IonicContact OE1-CZ 3.11Å; E492-R510 IonicContact OE1-NE 3.37Å; E492-R510 PolarHBondContact OE1-NE 3.43Å; E492-R510 IonicContact OE1-NH2 2.77Å; E492-R510 IonicContact OE2-CZ 3.9Å; E492-R510 VanDerWaalsContact OE2-CZ 3.24Å; E492-R510 IonicContact OE2-NE 2.78Å; E492-R510 PolarHBondContact OE2-NE 3.44Å; E492-R510 IonicContact OE2-NH2 3.96Å; E492-R510 PolarHBondContact OE2-NH2 3.28Å |
| 493 | E | 93.4 | Very high | 89.5 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.8 | -29.6 | 177.8 | -73.5 | 174 | -176.4 | 0 | 0 | 112.4 | Q489 | Q489-E493 HydrophobicContact CG-CG 4.36Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.46Å; Q489-E493 PolarHBondContact NE2-OE1 3.14Å; Q489-E493 WeakPolarHBondContact O-CG 3.36Å; Q489-E493 PolarHBondContact O-N 2.76Å |
| 494 | Q | 94.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 71 Ų | 71 | 27% | 0.271 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 10.1 | 179.2 | -54 | -62.9 | -56.9 | 0 | 0 | 112.9 | L402 F490 I491 E492 E496 Q497 | L402-Q494 HydrophobicContact CD1-CB 3.98Å; L402-Q494 HydrophobicContact CD2-CB 3.58Å; L402-Q494 HydrophobicContact CG-CB 4.42Å; F490-Q494 HydrophobicContact CD2-CG 4.18Å; F490-Q494 HydrophobicContact CE2-CG 3.86Å; F490-Q494 HydrophobicContact CZ-CG 4.27Å; F490-Q494 WeakPolarHBondContact O-CG 3.32Å; F490-Q494 PolarHBondContact O-N 2.82Å; I491-Q494 CarbonylContact O-C 3.56Å; I491-Q494 PolarHBondContact O-N 2.99Å; E492-Q494 PolarHBondContact O-N 3.36Å; Q494-E496 PolarHBondContact O-N 2.88Å; Q494-Q497 WeakPolarHBondContact O-CB 3.24Å; Q494-Q497 PolarHBondContact O-N 3.17Å |
| 495 | A | 90.7 | Very high | 89 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -57.3 | -31.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I491 E492 Q497 L498 K503 V506 | I491-A495 WeakPolarHBondContact O-CA 3.29Å; I491-A495 PolarHBondContact O-N 3.12Å; E492-A495 VanDerWaalsContact O-CB 3.23Å; E492-A495 WeakPolarHBondContact O-CB 3.36Å; E492-A495 PolarHBondContact O-N 3.22Å; E492-A495 VanDerWaalsContact O-N 3.12Å; A495-Q497 PolarHBondContact O-N 2.93Å; A495-Q497 VanDerWaalsContact O-N 3.16Å; A495-L498 WeakPolarHBondContact O-CB 3.29Å; A495-L498 PolarHBondContact O-N 2.91Å; A495-K503 VanDerWaalsContact O-CE 3.29Å; A495-K503 WeakPolarHBondContact O-CE 3.36Å; A495-K503 WeakPolarHBondContact O-CG 3.28Å; A495-V506 HydrophobicContact CB-CG1 4.34Å; A495-V506 HydrophobicContact CB-CG2 4.28Å |
| 496 | E | 93.1 | Very high | 89 | Confident | 151 Ų | 151 | 65.7 Ų | 65.7 | 71% | 0.706 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -62.2 | -23.2 | 179 | -73.5 | -54.6 | 143.3 | 0 | 0 | 114.6 | Q494 L498 K503 | Q494-E496 PolarHBondContact O-N 2.88Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-K503 VanDerWaalsContact O-CE 3.24Å; E496-K503 WeakPolarHBondContact O-CE 3.37Å; E496-K503 PolarHBondContact O-NZ 2.79Å; E496-K503 IonicContact OE2-NZ 3.24Å; E496-K503 PolarHBondContact OE2-NZ 3.5Å |
| 497 | Q | 92.2 | Very high | 88.4 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -82.4 | -13.2 | 177.8 | -61 | 174.9 | 28.3 | 0 | 0 | 112.9 | L402 Q494 A495 | L402-Q497 HydrophobicContact CD2-CB 4.16Å; Q494-Q497 WeakPolarHBondContact O-CB 3.24Å; Q494-Q497 PolarHBondContact O-N 3.17Å; A495-Q497 PolarHBondContact O-N 2.93Å; A495-Q497 VanDerWaalsContact O-N 3.16Å |
| 498 | L | 92 | Very high | 87.7 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -77.6 | 149.6 | -178.3 | -66.9 | 173.2 | 0 | 0 | 0 | 111.7 | C398 A401 L402 I491 A495 E496 L502 K503 V506 | C398-L498 HydrophobicContact CB-CD1 4.26Å; C398-L498 HydrophobicContact CB-CD2 4.41Å; A401-L498 HydrophobicContact CB-CD2 3.74Å; L402-L498 HydrophobicContact CD2-CD2 3.91Å; L402-L498 HydrophobicContact CD2-CG 4.18Å; L402-L498 HydrophobicContact CG-CD2 3.88Å; I491-L498 HydrophobicContact CG2-CD1 4.19Å; A495-L498 WeakPolarHBondContact O-CB 3.29Å; A495-L498 PolarHBondContact O-N 2.91Å; E496-L498 VanDerWaalsContact C-N 3.33Å; L498-L502 HydrophobicContact CB-CB 4.02Å; L498-L502 HydrophobicContact CD1-CB 4.34Å; L498-L502 HydrophobicContact CD2-CB 4.42Å; L498-L502 HydrophobicContact CD2-CD1 4.37Å; L498-K503 HydrophobicContact CB-CG 4.03Å; L498-K503 WeakPolarHBondContact O-CE 3.27Å; L498-V506 HydrophobicContact CD1-CG2 3.39Å |
| 499 | P | 87.7 | Confident | 87.4 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | trans | -55.6 | 150.8 | 166.1 | -23.7 | 32.2 | 0 | 0 | 0 | 112.1 | L501 L502 K503 | P499-L501 VanDerWaalsContact C-N 3.33Å; P499-L501 PolarHBondContact O-N 3.15Å; P499-L501 VanDerWaalsContact O-N 3.15Å; P499-L502 HydrophobicContact CG-CD1 4.32Å; P499-L502 WeakPolarHBondContact O-CA 3.46Å; P499-L502 PolarHBondContact O-N 3.37Å; P499-K503 PolarHBondContact O-N 3.17Å; P499-K503 VanDerWaalsContact O-N 3.08Å | ||
| 500 | P | 86.7 | Confident | 87.2 | Confident | 101 Ų | 101 | 70 Ų | 70 | 66% | 0.656 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -48.9 | -46.4 | -175.1 | -30.5 | 35.3 | 0 | 0 | 0 | 115 | L502 K503 E504 | P500-L502 VanDerWaalsContact C-N 3.26Å; P500-L502 PolarHBondContact O-N 3Å; P500-K503 WeakPolarHBondContact O-CB 3.47Å; P500-K503 PolarHBondContact O-N 2.81Å; P500-K503 VanDerWaalsContact O-N 3.12Å; P500-E504 PolarHBondContact O-N 2.81Å |
| 501 | L | 83.5 | Confident | 86.9 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.5 | -29.8 | 179.5 | -64.8 | 172.8 | 0 | 0 | 0 | 113.4 | Y443 P499 | Y443-L501 HydrophobicContact CE2-CB 3.91Å; P499-L501 VanDerWaalsContact C-N 3.33Å; P499-L501 PolarHBondContact O-N 3.15Å; P499-L501 VanDerWaalsContact O-N 3.15Å |
| 502 | L | 87.8 | Confident | 86.7 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -81.7 | -28.9 | 176.2 | -73.5 | 176.4 | 0 | 0 | 0 | 111.7 | A397 A401 Y443 L498 P499 P500 R505 V506 | A397-L502 HydrophobicContact CB-CD1 4.42Å; A397-L502 HydrophobicContact CB-CD2 3.78Å; A401-L502 HydrophobicContact CB-CD1 3.98Å; Y443-L502 HydrophobicContact CD1-CD2 4.13Å; Y443-L502 HydrophobicContact CD2-CD2 4.16Å; Y443-L502 HydrophobicContact CE1-CD2 3.54Å; Y443-L502 HydrophobicContact CE2-CD2 3.57Å; Y443-L502 HydrophobicContact CE2-CG 4.09Å; Y443-L502 HydrophobicContact CG-CD2 4.41Å; Y443-L502 WeakPolarHBondContact OH-CD2 3.47Å; L498-L502 HydrophobicContact CB-CB 4.02Å; L498-L502 HydrophobicContact CD1-CB 4.34Å; L498-L502 HydrophobicContact CD2-CB 4.42Å; L498-L502 HydrophobicContact CD2-CD1 4.37Å; P499-L502 HydrophobicContact CG-CD1 4.32Å; P499-L502 WeakPolarHBondContact O-CA 3.46Å; P499-L502 PolarHBondContact O-N 3.37Å; P500-L502 VanDerWaalsContact C-N 3.26Å; P500-L502 PolarHBondContact O-N 3Å; L502-R505 WeakPolarHBondContact O-CB 3.36Å; L502-R505 PolarHBondContact O-N 3.24Å; L502-R505 VanDerWaalsContact O-N 3.15Å; L502-V506 WeakPolarHBondContact O-CG2 3.33Å; L502-V506 PolarHBondContact O-N 3.47Å; L502-V506 VanDerWaalsContact O-N 3.07Å |
| 503 | K | 86.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 27% | 0.274 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 173.2 | -65.3 | -166.9 | -178.4 | -171.4 | 0 | 111.8 | A495 E496 L498 P499 P500 R505 V506 | A495-K503 VanDerWaalsContact O-CE 3.29Å; A495-K503 WeakPolarHBondContact O-CE 3.36Å; A495-K503 WeakPolarHBondContact O-CG 3.28Å; E496-K503 VanDerWaalsContact O-CE 3.24Å; E496-K503 WeakPolarHBondContact O-CE 3.37Å; E496-K503 PolarHBondContact O-NZ 2.79Å; E496-K503 IonicContact OE2-NZ 3.24Å; E496-K503 PolarHBondContact OE2-NZ 3.5Å; L498-K503 HydrophobicContact CB-CG 4.03Å; L498-K503 WeakPolarHBondContact O-CE 3.27Å; P499-K503 PolarHBondContact O-N 3.17Å; P499-K503 VanDerWaalsContact O-N 3.08Å; P500-K503 WeakPolarHBondContact O-CB 3.47Å; P500-K503 PolarHBondContact O-N 2.81Å; P500-K503 VanDerWaalsContact O-N 3.12Å; K503-R505 PolarHBondContact O-N 3.2Å; K503-V506 WeakPolarHBondContact O-CB 3.4Å; K503-V506 PolarHBondContact O-N 2.92Å |
| 504 | E | 82.9 | Confident | 86.8 | Confident | 127 Ų | 127 | 65 Ų | 65 | 59% | 0.593 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.6 | -38.5 | 174.4 | -68.2 | 177 | -176.1 | 0 | 0 | 111.4 | P500 V506 Q507 | P500-E504 PolarHBondContact O-N 2.81Å; E504-V506 PolarHBondContact O-N 3.16Å; E504-Q507 PolarHBondContact O-N 3.43Å |
| 505 | R | 80.3 | Confident | 86.8 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 178.3 | -177.5 | 55.9 | -178.8 | 171.6 | 5 | 113 | Y443 D445 L502 K503 Q507 L508 L509 | Y443-R505 HydrophobicContact CD2-CB 4.31Å; Y443-R505 HydrophobicContact CG-CB 4.44Å; Y443-R505 HydrophobicContact CG-CG 4.29Å; Y443-R505 PolarHBondContact O-NE 3.08Å; Y443-R505 PolarHBondContact O-NH1 3.32Å; D445-R505 IonicContact OD1-CZ 3.85Å; D445-R505 IonicContact OD1-NH2 3.87Å; D445-R505 PolarHBondContact OD1-NH2 3.4Å; D445-R505 IonicContact OD2-CZ 2.92Å; D445-R505 IonicContact OD2-NE 2.76Å; D445-R505 IonicContact OD2-NH2 2.69Å; D445-R505 PolarHBondContact OD2-NH2 3.43Å; L502-R505 WeakPolarHBondContact O-CB 3.36Å; L502-R505 PolarHBondContact O-N 3.24Å; L502-R505 VanDerWaalsContact O-N 3.15Å; K503-R505 PolarHBondContact O-N 3.2Å; R505-Q507 PolarHBondContact O-N 2.98Å; R505-L508 WeakPolarHBondContact O-CA 3.49Å; R505-L508 WeakPolarHBondContact O-CB 3.47Å; R505-L508 PolarHBondContact O-N 3.23Å; R505-L509 PolarHBondContact O-N 2.86Å |
| 506 | V | 82.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -53.8 | -39.8 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | I491 E492 A495 L498 L502 K503 E504 L508 L509 | I491-V506 HydrophobicContact CG2-CB 4.46Å; I491-V506 HydrophobicContact CG2-CG1 4.14Å; I491-V506 HydrophobicContact CG2-CG2 3.62Å; E492-V506 HydrophobicContact CB-CG1 4.24Å; E492-V506 HydrophobicContact CG-CG1 3.46Å; E492-V506 VanDerWaalsContact CG-CG1 3.46Å; A495-V506 HydrophobicContact CB-CG1 4.34Å; A495-V506 HydrophobicContact CB-CG2 4.28Å; L498-V506 HydrophobicContact CD1-CG2 3.39Å; L502-V506 WeakPolarHBondContact O-CG2 3.33Å; L502-V506 PolarHBondContact O-N 3.47Å; L502-V506 VanDerWaalsContact O-N 3.07Å; K503-V506 WeakPolarHBondContact O-CB 3.4Å; K503-V506 PolarHBondContact O-N 2.92Å; E504-V506 PolarHBondContact O-N 3.16Å; V506-L508 PolarHBondContact O-N 2.89Å; V506-L508 VanDerWaalsContact O-N 3.09Å; V506-L509 PolarHBondContact O-N 3.48Å; V506-L509 VanDerWaalsContact O-N 3.14Å |
| 507 | Q | 74.9 | Confident | 87.3 | Confident | 147 Ų | 147 | 55.2 Ų | 55.2 | 69% | 0.687 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.8 | 179.3 | -58.2 | 179.8 | -6 | 0 | 0 | 114.1 | E504 R505 | E504-Q507 PolarHBondContact O-N 3.43Å; R505-Q507 PolarHBondContact O-N 2.98Å |
| 508 | L | 77.1 | Confident | 87.4 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 42% | 0.424 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -0.4 | 179.7 | -56.8 | 179.5 | 0 | 0 | 0 | 112.9 | R505 V506 | R505-L508 WeakPolarHBondContact O-CA 3.49Å; R505-L508 WeakPolarHBondContact O-CB 3.47Å; R505-L508 PolarHBondContact O-N 3.23Å; V506-L508 PolarHBondContact O-N 2.89Å; V506-L508 VanDerWaalsContact O-N 3.09Å |
| 509 | L | 82.7 | Confident | 87.6 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -77.2 | -29.7 | -179.6 | -66.5 | 179.3 | 0 | 0 | 0 | 112.9 | E395 I488 I491 R505 V506 | E395-L509 HydrophobicContact CB-CD2 3.88Å; E395-L509 HydrophobicContact CG-CD2 4.3Å; I488-L509 HydrophobicContact CG2-CB 4.27Å; I491-L509 HydrophobicContact CB-CD1 4.41Å; I491-L509 HydrophobicContact CD1-CD1 3.93Å; I491-L509 HydrophobicContact CG2-CD1 3.87Å; R505-L509 PolarHBondContact O-N 2.86Å; V506-L509 PolarHBondContact O-N 3.48Å; V506-L509 VanDerWaalsContact O-N 3.14Å |
| 510 | R | 84.9 | Confident | 87.9 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -76.6 | 142.2 | 176.8 | -68 | -162.2 | -178.7 | -167.6 | -7.2 | 111 | I488 E492 V777 L779 | I488-R510 HydrophobicContact CG2-CG 3.98Å; E492-R510 WeakPolarHBondContact OE1-CD 3.45Å; E492-R510 WeakPolarHBondContact OE1-CG 3.4Å; E492-R510 IonicContact OE1-CZ 3.11Å; E492-R510 IonicContact OE1-NE 3.37Å; E492-R510 PolarHBondContact OE1-NE 3.43Å; E492-R510 IonicContact OE1-NH2 2.77Å; E492-R510 IonicContact OE2-CZ 3.9Å; E492-R510 VanDerWaalsContact OE2-CZ 3.24Å; E492-R510 IonicContact OE2-NE 2.78Å; E492-R510 PolarHBondContact OE2-NE 3.44Å; E492-R510 IonicContact OE2-NH2 3.96Å; E492-R510 PolarHBondContact OE2-NH2 3.28Å; R510-V777 HydrophobicContact CB-CG1 3.53Å; R510-V777 HydrophobicContact CG-CG1 4.22Å; R510-L779 VanDerWaalsContact CD-CD2 3.43Å |
| 511 | P | 86.7 | Confident | 88.3 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | trans | -56.5 | 147.4 | 173.3 | -21.9 | 33 | 0 | 0 | 0 | 111.1 | T693 V778 | P511-T693 HydrophobicContact CB-CG2 4.23Å; P511-T693 HydrophobicContact CG-CG2 4.2Å; P511-V778 HydrophobicContact CB-CB 4.26Å; P511-V778 PolarHBondContact O-N 3.32Å | ||
| 512 | K | 89.3 | Confident | 88.7 | Confident | 61 Ų | 61 | 36.9 Ų | 36.9 | 27% | 0.265 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 153.8 | 179.4 | -68 | -177.9 | 177.5 | -171.2 | 0 | 111.2 | L514 G775 D776 | K512-L514 PolarHBondContact O-N 3.24Å; K512-G775 WeakPolarHBondContact CD-O 3.32Å; K512-D776 CarbonylContact C-O 3.52Å; K512-D776 VanDerWaalsContact CA-O 3.29Å; K512-D776 WeakPolarHBondContact CA-O 3.46Å |
| 513 | L | 94.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 110.2 | 165.2 | 175.3 | 54.2 | 0 | 0 | 0 | 109.1 | Q515 M516 I689 I707 M772 C774 G775 D776 | L513-Q515 WeakPolarHBondContact CD1-O 3.36Å; L513-M516 HydrophobicContact CD1-CG 4.23Å; L513-M516 HydrophobicContact CD2-CG 3.88Å; L513-M516 HydrophobicContact CD2-SD 4.14Å; L513-M516 HydrophobicContact CG-CG 4.41Å; L513-I689 HydrophobicContact CD1-CG2 3.75Å; L513-I707 HydrophobicContact CB-CG2 3.94Å; L513-I707 HydrophobicContact CD2-CG2 3.99Å; L513-M772 HydrophobicContact CD2-CE 4.09Å; L513-M772 HydrophobicContact CD2-CG 3.53Å; L513-M772 HydrophobicContact CD2-SD 3.9Å; L513-C774 CarbonylContact O-C 3.51Å; L513-G775 PolarHBondContact O-N 3.06Å; L513-D776 PolarHBondContact N-O 3.08Å |
| 514 | L | 92.2 | Very high | 89.3 | Confident | 70 Ų | 70 | 34 Ų | 34 | 37% | 0.366 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -45.9 | -177.4 | -61.3 | -174.7 | 0 | 0 | 0 | 112 | K512 K666 I690 D692 | K512-L514 PolarHBondContact O-N 3.24Å; L514-K666 HydrophobicContact CD1-CD 4.07Å; L514-I690 WeakPolarHBondContact CB-O 3.3Å; L514-I690 PolarHBondContact N-O 3.22Å; L514-D692 HydrophobicContact CD1-CB 3.56Å; L514-D692 HydrophobicContact CG-CB 4.42Å |
| 515 | Q | 95.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.1 | -172.4 | -177.1 | -178 | 88.3 | 0 | 0 | 109.7 | L513 I529 E530 I690 | L513-Q515 WeakPolarHBondContact CD1-O 3.36Å; Q515-I529 WeakPolarHBondContact CA-O 3.31Å; Q515-I529 WeakPolarHBondContact CG-O 3.41Å; Q515-E530 HydrophobicContact CG-CG 4.07Å; Q515-E530 PolarHBondContact NE2-OE1 3.16Å; Q515-I690 HydrophobicContact CB-CB 4.25Å; Q515-I690 HydrophobicContact CB-CD1 4.23Å; Q515-I690 HydrophobicContact CG-CD1 4.34Å; Q515-I690 PolarHBondContact N-O 3.32Å; Q515-I690 WeakPolarHBondContact O-CD1 3.28Å; Q515-I690 PolarHBondContact O-N 2.93Å |
| 516 | M | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 143.7 | 164 | -60.6 | 175.1 | -81.3 | 0 | 0 | 109.6 | L513 K528 I529 W535 L542 N688 M772 | L513-M516 HydrophobicContact CD1-CG 4.23Å; L513-M516 HydrophobicContact CD2-CG 3.88Å; L513-M516 HydrophobicContact CD2-SD 4.14Å; L513-M516 HydrophobicContact CG-CG 4.41Å; M516-K528 WeakPolarHBondContact O-CA 3.47Å; M516-I529 HydrophobicContact CB-CB 4.18Å; M516-I529 HydrophobicContact CB-CG1 4.42Å; M516-I529 HydrophobicContact CE-CB 4.11Å; M516-I529 HydrophobicContact CE-CG2 3.85Å; M516-I529 PolarHBondContact N-O 3.25Å; M516-I529 PolarHBondContact O-N 2.93Å; M516-W535 HydrophobicContact CE-CB 3.89Å; M516-W535 HydrophobicContact SD-CB 4.16Å; M516-L542 HydrophobicContact CB-CD1 4.32Å; M516-L542 HydrophobicContact SD-CD2 3.88Å; M516-N688 CarbonylContact C-O 3.5Å; M516-N688 VanDerWaalsContact CA-O 3.25Å; M516-N688 WeakPolarHBondContact CA-O 3.18Å; M516-M772 WeakPolarHBondContact CE-O 3.48Å; M516-M772 HydrophobicContact CG-CE 3.81Å; M516-M772 HydrophobicContact SD-CB 4.03Å; M516-M772 HydrophobicContact SD-CE 3.32Å; M516-M772 WeakPolarHBondContact SD-CE 3.45Å; M516-M772 HydrophobicContact SD-CG 4.09Å |
| 517 | A | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y519 A526 A687 N688 I690 | A517-Y519 HydrophobicContact CB-CE2 4.13Å; A517-A526 HydrophobicContact CB-CB 4Å; A517-A687 VanDerWaalsContact CB-O 3.3Å; A517-A687 WeakPolarHBondContact CB-O 3.49Å; A517-N688 PolarHBondContact N-O 3.38Å; A517-N688 WeakPolarHBondContact O-CA 3.47Å; A517-N688 PolarHBondContact O-ND2 3.2Å; A517-I690 HydrophobicContact CB-CD1 4.24Å |
| 518 | I | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.8 | 179.1 | -54.1 | 147.9 | 0 | 0 | 0 | 106.6 | P520 A526 F527 I529 W535 L542 D545 | I518-P520 VanDerWaalsContact C-CD 3.46Å; I518-P520 HydrophobicContact CG2-CG 4.02Å; I518-P520 WeakPolarHBondContact O-CD 3.26Å; I518-A526 CarbonylContact O-C 3.46Å; I518-A526 WeakPolarHBondContact O-CA 3.37Å; I518-F527 HydrophobicContact CB-CB 4.45Å; I518-F527 HydrophobicContact CD1-CD1 3.8Å; I518-F527 HydrophobicContact CD1-CE1 4.29Å; I518-F527 PolarHBondContact N-O 3.43Å; I518-F527 PolarHBondContact O-N 3.28Å; I518-I529 HydrophobicContact CD1-CD1 3.96Å; I518-I529 HydrophobicContact CD1-CG1 3.8Å; I518-W535 HydrophobicContact CD1-CD2 3.51Å; I518-W535 HydrophobicContact CD1-CE3 4.21Å; I518-W535 HydrophobicContact CD1-CG 3.73Å; I518-W535 HydrophobicContact CD1-CH2 4.46Å; I518-W535 HydrophobicContact CD1-CZ2 3.77Å; I518-W535 VanDerWaalsContact CD1-NE1 3.3Å; I518-L542 HydrophobicContact CG1-CB 4.16Å; I518-L542 HydrophobicContact CG1-CD1 3.74Å; I518-L542 HydrophobicContact CG1-CG 4.48Å; I518-D545 WeakPolarHBondContact CA-OD1 3.32Å; I518-D545 HydrophobicContact CG2-CB 4.07Å |
| 519 | Y | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | trans | -119.3 | 76.5 | 177 | -56.7 | -86.7 | 0 | 0 | 0 | 109 | A517 V521 A526 D545 R546 R686 A687 | A517-Y519 HydrophobicContact CB-CE2 4.13Å; Y519-V521 PolarHBondContact O-N 3.33Å; Y519-A526 HydrophobicContact CD1-CB 4.08Å; Y519-A526 HydrophobicContact CE1-CB 3.51Å; Y519-D545 PolarHBondContact N-OD1 3.09Å; Y519-R546 VanDerWaalsContact O-CA 3.29Å; Y519-R546 WeakPolarHBondContact O-CA 3.4Å; Y519-R546 PolarHBondContact O-N 2.71Å; Y519-R686 HydrophobicContact CE1-CB 4.14Å; Y519-R686 HydrophobicContact CE1-CG 4.34Å; Y519-R686 WeakPolarHBondContact OH-CA 3.22Å; Y519-A687 VanDerWaalsContact CE2-O 3.31Å; Y519-A687 WeakPolarHBondContact CE2-O 3.3Å; Y519-A687 PolarHBondContact OH-N 3.07Å; Y519-A687 PolarHBondContact OH-O 3.37Å | ||
| 520 | P | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -53.5 | -52.2 | -175 | -27.2 | 35.6 | 0 | 0 | 0 | 112.8 | I518 Y544 E547 W548 P571 I573 L578 | I518-P520 VanDerWaalsContact C-CD 3.46Å; I518-P520 HydrophobicContact CG2-CG 4.02Å; I518-P520 WeakPolarHBondContact O-CD 3.26Å; P520-Y544 VanDerWaalsContact CA-O 3.27Å; P520-Y544 WeakPolarHBondContact CA-O 3.32Å; P520-E547 PolarHBondContact O-N 2.61Å; P520-W548 HydrophobicContact CB-CE3 3.96Å; P520-W548 HydrophobicContact CB-CZ3 4.03Å; P520-W548 PolarHBondContact O-N 2.93Å; P520-P571 HydrophobicContact CB-CB 4.17Å; P520-P571 HydrophobicContact CG-CB 3.97Å; P520-P571 HydrophobicContact CG-CG 4.19Å; P520-I573 HydrophobicContact CB-CD1 4.49Å; P520-I573 HydrophobicContact CG-CD1 3.76Å; P520-I573 HydrophobicContact CG-CG1 4.14Å; P520-L578 HydrophobicContact CB-CD1 3.81Å; P520-L578 HydrophobicContact CB-CD2 4.5Å; P520-L578 HydrophobicContact CG-CD1 4.29Å |
| 521 | V | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.7 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | Y519 S523 C524 W548 I550 L578 L580 L637 | Y519-V521 PolarHBondContact O-N 3.33Å; V521-S523 PolarHBondContact O-N 3.17Å; V521-C524 HydrophobicContact CB-CB 3.96Å; V521-C524 HydrophobicContact CG1-CB 4.41Å; V521-C524 VanDerWaalsContact CG1-SG 3.55Å; V521-C524 WeakPolarHBondContact O-CB 3.46Å; V521-C524 PolarHBondContact O-N 2.89Å; V521-W548 HydrophobicContact CB-CB 4.35Å; V521-W548 HydrophobicContact CG1-CB 4.39Å; V521-W548 HydrophobicContact CG2-CB 3.97Å; V521-I550 HydrophobicContact CG1-CD1 3.98Å; V521-I550 HydrophobicContact CG1-CG1 3.91Å; V521-L578 HydrophobicContact CG2-CD2 4.06Å; V521-L580 HydrophobicContact CG2-CD1 4.39Å; V521-L580 HydrophobicContact CG2-CD2 3.61Å; V521-L637 HydrophobicContact CG1-CD1 3.87Å; V521-L637 HydrophobicContact CG2-CD1 4.25Å |
| 522 | K | 91.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 130.6 | 177.1 | -177.9 | 169.8 | -177.7 | 160.4 | 0 | 110.7 | C524 W548 M549 L655 | K522-C524 VanDerWaalsContact C-N 3.25Å; K522-C524 PolarHBondContact O-N 2.96Å; K522-W548 WeakPolarHBondContact CB-O 3Å; K522-W548 PolarHBondContact N-O 2.72Å; K522-M549 HydrophobicContact CB-CB 4.16Å; K522-L655 HydrophobicContact CD-CB 4.13Å; K522-L655 HydrophobicContact CD-CD1 4.34Å; K522-L655 PolarHBondContact NZ-O 2.71Å |
| 523 | S | 91.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -3.9 | -176.1 | -45.2 | 0 | 0 | 0 | 0 | 115.9 | V521 L558 Q560 | V521-S523 PolarHBondContact O-N 3.17Å; S523-L558 PolarHBondContact OG-O 3.37Å; S523-Q560 WeakPolarHBondContact O-CG 3.3Å; S523-Q560 PolarHBondContact O-NE2 2.92Å |
| 524 | C | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -85.2 | 178.7 | 174.9 | -63 | 0 | 0 | 0 | 0 | 112.6 | V521 K522 L566 I569 R686 | V521-C524 HydrophobicContact CB-CB 3.96Å; V521-C524 HydrophobicContact CG1-CB 4.41Å; V521-C524 VanDerWaalsContact CG1-SG 3.55Å; V521-C524 WeakPolarHBondContact O-CB 3.46Å; V521-C524 PolarHBondContact O-N 2.89Å; K522-C524 VanDerWaalsContact C-N 3.25Å; K522-C524 PolarHBondContact O-N 2.96Å; C524-L566 VanDerWaalsContact CA-O 3.27Å; C524-L566 WeakPolarHBondContact CA-O 2.97Å; C524-I569 HydrophobicContact CB-CB 4.27Å; C524-I569 HydrophobicContact CB-CG2 4.41Å; C524-I569 WeakPolarHBondContact CB-O 3.47Å; C524-R686 VanDerWaalsContact O-CZ 3.27Å; C524-R686 PolarHBondContact O-NH1 3.36Å; C524-R686 PolarHBondContact O-NH2 3.44Å |
| 525 | A | 95.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 32 Ų | 32 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | trans | -60.9 | 163.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C567 I569 R570 P571 | A525-C567 VanDerWaalsContact CB-O 3.26Å; A525-C567 WeakPolarHBondContact CB-O 3.22Å; A525-I569 VanDerWaalsContact CB-O 3.25Å; A525-I569 WeakPolarHBondContact CB-O 3.47Å; A525-I569 PolarHBondContact N-O 2.88Å; A525-R570 HydrophobicContact CB-CB 4.49Å; A525-R570 HydrophobicContact CB-CG 3.94Å; A525-P571 VanDerWaalsContact O-CD 3.24Å; A525-P571 WeakPolarHBondContact O-CD 3.35Å; A525-P571 VanDerWaalsContact O-CG 3.22Å; A525-P571 WeakPolarHBondContact O-CG 3.33Å | ||
| 526 | A | 95.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | trans | -76.8 | 141 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A517 I518 Y519 K528 | A517-A526 HydrophobicContact CB-CB 4Å; I518-A526 CarbonylContact O-C 3.46Å; I518-A526 WeakPolarHBondContact O-CA 3.37Å; Y519-A526 HydrophobicContact CD1-CB 4.08Å; Y519-A526 HydrophobicContact CE1-CB 3.51Å; A526-K528 HydrophobicContact CB-CG 4.18Å | ||
| 527 | F | 95.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 17% | 0.167 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.7 | 155.5 | 178.8 | -123.9 | 0 | 0 | 0 | 108.3 | I518 I529 W535 P571 V572 I573 | I518-F527 HydrophobicContact CB-CB 4.45Å; I518-F527 HydrophobicContact CD1-CD1 3.8Å; I518-F527 HydrophobicContact CD1-CE1 4.29Å; I518-F527 PolarHBondContact N-O 3.43Å; I518-F527 PolarHBondContact O-N 3.28Å; F527-I529 HydrophobicContact CD1-CD1 3.88Å; F527-I529 HydrophobicContact CE1-CD1 3.38Å; F527-I529 HydrophobicContact CZ-CD1 3.81Å; F527-W535 HydrophobicContact CD1-CH2 4.33Å; F527-W535 AromaticContact CE1-CH2 3.52Å; F527-W535 HydrophobicContact CE1-CH2 3.52Å; F527-W535 HydrophobicContact CE1-CZ2 4.17Å; F527-W535 AromaticContact CE1-CZ3 3.71Å; F527-W535 HydrophobicContact CE1-CZ3 3.71Å; F527-W535 HydrophobicContact CZ-CH2 4.42Å; F527-W535 HydrophobicContact CZ-CZ3 4.41Å; F527-P571 WeakPolarHBondContact CB-O 3.22Å; F527-V572 HydrophobicContact CD2-CG1 4.39Å; F527-V572 HydrophobicContact CE2-CG1 3.98Å; F527-I573 HydrophobicContact CD1-CB 4.41Å; F527-I573 HydrophobicContact CD1-CD1 4.36Å; F527-I573 HydrophobicContact CD1-CG1 4.42Å; F527-I573 HydrophobicContact CE1-CB 4.14Å |
| 528 | K | 95.5 | Very high | 92.9 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 27% | 0.27 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.3 | -170.8 | -66.8 | -178.4 | 172.2 | -167.7 | 0 | 111.6 | M516 A526 D683 | M516-K528 WeakPolarHBondContact O-CA 3.47Å; A526-K528 HydrophobicContact CB-CG 4.18Å; K528-D683 WeakPolarHBondContact CE-OD1 3.45Å; K528-D683 IonicContact NZ-OD1 3.37Å; K528-D683 PolarHBondContact NZ-OD1 2.89Å; K528-D683 IonicContact NZ-OD2 3.9Å; K528-D683 PolarHBondContact NZ-OD2 3.25Å |
| 529 | I | 95.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.7 | 171.2 | -43.9 | -51.3 | 0 | 0 | 0 | 107.3 | Q515 M516 I518 F527 W535 C774 | Q515-I529 WeakPolarHBondContact CA-O 3.31Å; Q515-I529 WeakPolarHBondContact CG-O 3.41Å; M516-I529 HydrophobicContact CB-CB 4.18Å; M516-I529 HydrophobicContact CB-CG1 4.42Å; M516-I529 HydrophobicContact CE-CB 4.11Å; M516-I529 HydrophobicContact CE-CG2 3.85Å; M516-I529 PolarHBondContact N-O 3.25Å; M516-I529 PolarHBondContact O-N 2.93Å; I518-I529 HydrophobicContact CD1-CD1 3.96Å; I518-I529 HydrophobicContact CD1-CG1 3.8Å; F527-I529 HydrophobicContact CD1-CD1 3.88Å; F527-I529 HydrophobicContact CE1-CD1 3.38Å; F527-I529 HydrophobicContact CZ-CD1 3.81Å; I529-W535 HydrophobicContact CD1-CD2 4.26Å; I529-W535 HydrophobicContact CD1-CE3 3.63Å; I529-W535 HydrophobicContact CD1-CZ3 3.88Å; I529-W535 HydrophobicContact CG1-CB 4.42Å; I529-W535 HydrophobicContact CG1-CD2 4.27Å; I529-W535 HydrophobicContact CG1-CE3 3.99Å; I529-W535 HydrophobicContact CG1-CG 4.48Å; I529-C774 PolarHBondContact O-SG 3.18Å |
| 530 | E | 90.2 | Very high | 91.6 | Very high | 116 Ų | 116 | 41.6 Ų | 41.6 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 163.8 | -178.4 | -63.7 | -178.4 | 166.4 | 0 | 0 | 109.9 | Q515 G533 | Q515-E530 HydrophobicContact CG-CG 4.07Å; Q515-E530 PolarHBondContact NE2-OE1 3.16Å; E530-G533 WeakPolarHBondContact O-CA 3.13Å; E530-G533 PolarHBondContact O-N 3.17Å |
| 531 | L | 84.9 | Confident | 91.3 | Very high | 121 Ų | 121 | 41.6 Ų | 41.6 | 63% | 0.634 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 134 | -178.1 | -166.6 | 148.7 | 0 | 0 | 0 | 111.4 | C774 | L531-C774 HydrophobicContact CB-CB 4.15Š|
| 532 | P | 85.9 | Confident | 91.2 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 72% | 0.721 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -93.6 | 26.6 | 6.1 | 38.8 | -37.2 | 0 | 0 | 0 | 115.4 | ||
| 533 | G | 92.2 | Very high | 91.2 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 24% | 0.237 | 24% | 0.238 | C | C | . | . | trans | -66.7 | 142 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E530 C774 | E530-G533 WeakPolarHBondContact O-CA 3.13Å; E530-G533 PolarHBondContact O-N 3.17Å; G533-C774 PolarHBondContact O-N 3.35Å | ||
| 534 | S | 94.6 | Very high | 91.2 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 153.8 | 172.3 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | M772 T773 | S534-M772 CarbonylContact C-O 3.53Å; S534-M772 VanDerWaalsContact CA-O 3.27Å; S534-M772 WeakPolarHBondContact CA-O 3.35Å; S534-T773 WeakPolarHBondContact OG-CB 3.38Å; S534-T773 VanDerWaalsContact OG-CG2 3.25Å; S534-T773 WeakPolarHBondContact OG-CG2 3.45Å; S534-T773 PolarHBondContact OG-OG1 2.74Å |
| 535 | W | 95.2 | Very high | 91 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.5 | 176.3 | -156.1 | -100.7 | 0 | 0 | 0 | 112.7 | M516 I518 F527 I529 L542 K543 Y544 I573 H771 M772 | M516-W535 HydrophobicContact CE-CB 3.89Å; M516-W535 HydrophobicContact SD-CB 4.16Å; I518-W535 HydrophobicContact CD1-CD2 3.51Å; I518-W535 HydrophobicContact CD1-CE3 4.21Å; I518-W535 HydrophobicContact CD1-CG 3.73Å; I518-W535 HydrophobicContact CD1-CH2 4.46Å; I518-W535 HydrophobicContact CD1-CZ2 3.77Å; I518-W535 VanDerWaalsContact CD1-NE1 3.3Å; F527-W535 HydrophobicContact CD1-CH2 4.33Å; F527-W535 AromaticContact CE1-CH2 3.52Å; F527-W535 HydrophobicContact CE1-CH2 3.52Å; F527-W535 HydrophobicContact CE1-CZ2 4.17Å; F527-W535 AromaticContact CE1-CZ3 3.71Å; F527-W535 HydrophobicContact CE1-CZ3 3.71Å; F527-W535 HydrophobicContact CZ-CH2 4.42Å; F527-W535 HydrophobicContact CZ-CZ3 4.41Å; I529-W535 HydrophobicContact CD1-CD2 4.26Å; I529-W535 HydrophobicContact CD1-CE3 3.63Å; I529-W535 HydrophobicContact CD1-CZ3 3.88Å; I529-W535 HydrophobicContact CG1-CB 4.42Å; I529-W535 HydrophobicContact CG1-CD2 4.27Å; I529-W535 HydrophobicContact CG1-CE3 3.99Å; I529-W535 HydrophobicContact CG1-CG 4.48Å; W535-L542 HydrophobicContact CB-CD2 4.35Å; W535-K543 PolarHBondContact NE1-O 3.17Å; W535-Y544 HydrophobicContact CZ2-CD2 4.16Å; W535-I573 HydrophobicContact CH2-CB 4.09Å; W535-I573 HydrophobicContact CH2-CD1 4.38Å; W535-I573 HydrophobicContact CH2-CG2 3.98Å; W535-I573 HydrophobicContact CZ2-CB 4.41Å; W535-I573 HydrophobicContact CZ2-CD1 3.86Å; W535-I573 HydrophobicContact CZ2-CG2 4.25Å; W535-H771 WeakPolarHBondContact O-CA 3.28Å; W535-M772 PolarHBondContact N-O 2.97Å; W535-M772 PolarHBondContact O-N 2.83Å |
| 536 | P | 93.7 | Very high | 90.7 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 144.1 | 178.8 | 23.6 | -32.7 | 0 | 0 | 0 | 113.8 | K543 E769 | P536-K543 HydrophobicContact CB-CB 4.21Å; P536-K543 HydrophobicContact CB-CD 4.03Å; P536-K543 HydrophobicContact CG-CB 3.76Å; P536-K543 HydrophobicContact CG-CD 3.52Å; P536-K543 HydrophobicContact CG-CG 4.31Å; P536-K543 WeakPolarHBondContact O-CB 3.25Å; P536-K543 PolarHBondContact O-N 2.93Å; P536-E769 HydrophobicContact CB-CG 3.73Å; P536-E769 WeakPolarHBondContact CB-OE2 3.46Å |
| 537 | L | 91.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.9 | 173.9 | -61.9 | 178.2 | 0 | 0 | 0 | 111.3 | L542 F661 I710 Q770 M772 | L537-L542 HydrophobicContact CD2-CD2 3.87Å; L537-F661 HydrophobicContact CD2-CE1 3.95Å; L537-F661 HydrophobicContact CD2-CZ 3.89Å; L537-I710 HydrophobicContact CD1-CD1 3.73Å; L537-I710 HydrophobicContact CD1-CG2 4.23Å; L537-Q770 WeakPolarHBondContact CB-O 3.4Å; L537-Q770 HydrophobicContact CD1-CG 4.36Å; L537-Q770 PolarHBondContact N-O 3.4Å; L537-M772 HydrophobicContact CD1-CB 4.3Å; L537-M772 HydrophobicContact CD2-CB 4.4Å; L537-M772 HydrophobicContact CG-CB 4.39Å |
| 538 | T | 87.7 | Confident | 90.3 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 173.4 | 173.4 | 69.3 | 0 | 0 | 0 | 0 | 109.6 | Q540 G541 K543 | T538-Q540 PolarHBondContact O-N 2.98Å; T538-Q540 VanDerWaalsContact O-N 3.07Å; T538-Q540 PolarHBondContact OG1-N 3.28Å; T538-G541 PolarHBondContact N-O 2.87Å; T538-G541 PolarHBondContact O-N 2.88Å; T538-G541 PolarHBondContact OG1-N 2.72Å; T538-G541 PolarHBondContact OG1-O 2.88Å; T538-K543 HydrophobicContact CG2-CB 3.87Å; T538-K543 HydrophobicContact CG2-CG 3.94Å |
| 539 | D | 82.4 | Confident | 90.1 | Very high | 103 Ų | 103 | 43.1 Ų | 43.1 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.3 | 171.8 | -66.8 | -15.4 | 0 | 0 | 0 | 113.6 | Q660 R757 | D539-Q660 PolarHBondContact O-NE2 2.96Å; D539-R757 IonicContact OD1-NH2 3.53Å; D539-R757 PolarHBondContact OD1-NH2 3.39Å |
| 540 | Q | 79.4 | Confident | 90 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -14.4 | -179.7 | -59.9 | -54.8 | -72.2 | 0 | 0 | 113.7 | T538 K652 L653 | T538-Q540 PolarHBondContact O-N 2.98Å; T538-Q540 VanDerWaalsContact O-N 3.07Å; T538-Q540 PolarHBondContact OG1-N 3.28Å; Q540-K652 PolarHBondContact NE2-O 2.8Å; Q540-K652 PolarHBondContact OE1-O 3.27Å; Q540-L653 VanDerWaalsContact OE1-C 3.23Å |
| 541 | G | 89.5 | Confident | 90.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -151.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T538 K543 F661 | T538-G541 PolarHBondContact N-O 2.87Å; T538-G541 PolarHBondContact O-N 2.88Å; T538-G541 PolarHBondContact OG1-N 2.72Å; T538-G541 PolarHBondContact OG1-O 2.88Å; G541-K543 PolarHBondContact O-N 3.34Å; G541-F661 VanDerWaalsContact CA-CZ 3.44Å |
| 542 | L | 92.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 133 | 170.1 | -66.3 | 170 | 0 | 0 | 0 | 109.3 | M516 I518 W535 L537 Y544 D545 F661 N688 M772 | M516-L542 HydrophobicContact CB-CD1 4.32Å; M516-L542 HydrophobicContact SD-CD2 3.88Å; I518-L542 HydrophobicContact CG1-CB 4.16Å; I518-L542 HydrophobicContact CG1-CD1 3.74Å; I518-L542 HydrophobicContact CG1-CG 4.48Å; W535-L542 HydrophobicContact CB-CD2 4.35Å; L537-L542 HydrophobicContact CD2-CD2 3.87Å; L542-Y544 PolarHBondContact O-N 3.06Å; L542-D545 HydrophobicContact CB-CB 4.21Å; L542-D545 WeakPolarHBondContact O-CB 3.3Å; L542-D545 PolarHBondContact O-N 3.01Å; L542-F661 HydrophobicContact CD2-CE1 4.37Å; L542-F661 HydrophobicContact CG-CD1 4.29Å; L542-F661 HydrophobicContact CG-CE1 3.92Å; L542-N688 HydrophobicContact CD1-CB 4.25Å; L542-M772 HydrophobicContact CD2-CE 3.96Å |
| 543 | K | 91.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 133.8 | 177.4 | -165.9 | 178 | -171.2 | 166 | 0 | 109.9 | W535 P536 T538 G541 D545 E769 | W535-K543 PolarHBondContact NE1-O 3.17Å; P536-K543 HydrophobicContact CB-CB 4.21Å; P536-K543 HydrophobicContact CB-CD 4.03Å; P536-K543 HydrophobicContact CG-CB 3.76Å; P536-K543 HydrophobicContact CG-CD 3.52Å; P536-K543 HydrophobicContact CG-CG 4.31Å; P536-K543 WeakPolarHBondContact O-CB 3.25Å; P536-K543 PolarHBondContact O-N 2.93Å; T538-K543 HydrophobicContact CG2-CB 3.87Å; T538-K543 HydrophobicContact CG2-CG 3.94Å; G541-K543 PolarHBondContact O-N 3.34Å; K543-D545 VanDerWaalsContact C-N 3.28Å; K543-D545 PolarHBondContact O-N 3.5Å; K543-E769 IonicContact NZ-OE1 3.86Å; K543-E769 PolarHBondContact NZ-OE1 3.25Å |
| 544 | Y | 91.6 | Very high | 90.2 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 0.5 | -177.5 | -49.8 | -55 | 0 | 0 | 0 | 116.5 | P520 W535 L542 R546 E547 W548 I573 L592 | P520-Y544 VanDerWaalsContact CA-O 3.27Å; P520-Y544 WeakPolarHBondContact CA-O 3.32Å; W535-Y544 HydrophobicContact CZ2-CD2 4.16Å; L542-Y544 PolarHBondContact O-N 3.06Å; Y544-R546 PolarHBondContact O-N 3.41Å; Y544-E547 WeakPolarHBondContact CA-OE1 3.41Å; Y544-E547 PolarHBondContact N-OE1 2.87Å; Y544-W548 AromaticContact CD1-CH2 3.92Å; Y544-W548 HydrophobicContact CD1-CH2 3.92Å; Y544-W548 HydrophobicContact CD1-CZ3 4.29Å; Y544-W548 HydrophobicContact CG-CH2 4.44Å; Y544-I573 HydrophobicContact CD2-CD1 3.64Å; Y544-I573 HydrophobicContact CD2-CG2 4.17Å; Y544-I573 HydrophobicContact CE2-CG2 4.2Å; Y544-I573 HydrophobicContact CG-CD1 3.91Å; Y544-L592 HydrophobicContact CD1-CD2 4.31Å; Y544-L592 HydrophobicContact CE1-CD2 4.17Å; Y544-L592 HydrophobicContact CE2-CD1 4.15Å |
| 545 | D | 92 | Very high | 89.7 | Confident | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 121.9 | 176.6 | -164.7 | 62.9 | 0 | 0 | 0 | 111.6 | I518 Y519 L542 K543 E547 N688 | I518-D545 WeakPolarHBondContact CA-OD1 3.32Å; I518-D545 HydrophobicContact CG2-CB 4.07Å; Y519-D545 PolarHBondContact N-OD1 3.09Å; L542-D545 HydrophobicContact CB-CB 4.21Å; L542-D545 WeakPolarHBondContact O-CB 3.3Å; L542-D545 PolarHBondContact O-N 3.01Å; K543-D545 VanDerWaalsContact C-N 3.28Å; K543-D545 PolarHBondContact O-N 3.5Å; D545-E547 PolarHBondContact O-N 3.43Å; D545-N688 PolarHBondContact OD1-ND2 3.23Å; D545-N688 PolarHBondContact OD2-ND2 3.24Å |
| 546 | R | 89.1 | Confident | 89.2 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31.8 | 175.5 | -58.4 | 168.3 | 179.8 | -127.2 | 4 | 114.4 | Y519 Y544 S654 | Y519-R546 VanDerWaalsContact O-CA 3.29Å; Y519-R546 WeakPolarHBondContact O-CA 3.4Å; Y519-R546 PolarHBondContact O-N 2.71Å; Y544-R546 PolarHBondContact O-N 3.41Å; R546-S654 PolarHBondContact O-OG 2.91Å |
| 547 | E | 88.8 | Confident | 88.9 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | trans | -77.3 | -20.9 | 174.6 | -77.7 | -174.7 | -152.8 | 0 | 0 | 113.2 | P520 Y544 D545 R639 Q640 | P520-E547 PolarHBondContact O-N 2.61Å; Y544-E547 WeakPolarHBondContact CA-OE1 3.41Å; Y544-E547 PolarHBondContact N-OE1 2.87Å; D545-E547 PolarHBondContact O-N 3.43Å; E547-R639 CarbonylContact O-C 3.55Å; E547-R639 WeakPolarHBondContact O-CA 3.46Å; E547-R639 IonicContact OE2-CZ 3.98Å; E547-R639 IonicContact OE2-NE 2.99Å; E547-R639 PolarHBondContact OE2-NE 2.9Å; E547-R639 IonicContact OE2-NH2 3.62Å; E547-R639 PolarHBondContact OE2-NH2 3.02Å; E547-Q640 PolarHBondContact O-N 3.35Å | ||
| 548 | W | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 154 | 179.6 | -64.4 | -98.5 | 0 | 0 | 0 | 112.5 | P520 V521 K522 Y544 L578 L592 L637 L638 R639 | P520-W548 HydrophobicContact CB-CE3 3.96Å; P520-W548 HydrophobicContact CB-CZ3 4.03Å; P520-W548 PolarHBondContact O-N 2.93Å; V521-W548 HydrophobicContact CB-CB 4.35Å; V521-W548 HydrophobicContact CG1-CB 4.39Å; V521-W548 HydrophobicContact CG2-CB 3.97Å; K522-W548 WeakPolarHBondContact CB-O 3Å; K522-W548 PolarHBondContact N-O 2.72Å; Y544-W548 AromaticContact CD1-CH2 3.92Å; Y544-W548 HydrophobicContact CD1-CH2 3.92Å; Y544-W548 HydrophobicContact CD1-CZ3 4.29Å; Y544-W548 HydrophobicContact CG-CH2 4.44Å; W548-L578 HydrophobicContact CD2-CD2 3.61Å; W548-L578 HydrophobicContact CE3-CD2 3.87Å; W548-L578 HydrophobicContact CG-CD2 4.05Å; W548-L578 HydrophobicContact CH2-CD2 4.31Å; W548-L578 HydrophobicContact CZ2-CD2 4.04Å; W548-L578 HydrophobicContact CZ3-CD2 4.21Å; W548-L592 HydrophobicContact CH2-CD2 3.59Å; W548-L592 HydrophobicContact CZ2-CD2 3.94Å; W548-L637 HydrophobicContact CB-CD1 4.02Å; W548-L638 CarbonylContact C-O 3.54Å; W548-L638 VanDerWaalsContact CA-O 3.28Å; W548-L638 WeakPolarHBondContact CA-O 3.43Å; W548-R639 HydrophobicContact CD2-CG 4.27Å; W548-R639 HydrophobicContact CG-CB 4.35Å; W548-R639 HydrophobicContact CG-CG 4.32Å; W548-R639 HydrophobicContact CZ2-CG 4.3Å |
| 549 | M | 92.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.7 | 170.2 | 62.3 | -178.9 | -179.1 | 0 | 0 | 111.6 | K522 V551 A557 V608 L638 L655 | K522-M549 HydrophobicContact CB-CB 4.16Å; M549-V551 HydrophobicContact CE-CG1 4.16Å; M549-V551 HydrophobicContact CG-CG1 4.3Å; M549-V551 HydrophobicContact SD-CG1 4.42Å; M549-A557 HydrophobicContact SD-CB 4.17Å; M549-V608 HydrophobicContact CE-CG2 4.05Å; M549-V608 HydrophobicContact SD-CG2 3.71Å; M549-L638 HydrophobicContact CE-CB 4.33Å; M549-L638 HydrophobicContact CE-CD1 4.09Å; M549-L638 HydrophobicContact CG-CB 4.3Å; M549-L638 PolarHBondContact N-O 3.35Å; M549-L638 PolarHBondContact O-N 2.85Å; M549-L655 HydrophobicContact CB-CD1 3.92Å; M549-L655 HydrophobicContact CG-CD1 3.98Å; M549-L655 HydrophobicContact SD-CD1 3.8Å; M549-L655 HydrophobicContact SD-CD2 3.87Å |
| 550 | I | 93.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.9 | 172.4 | -59.9 | 160 | 0 | 0 | 0 | 108.1 | V521 A557 L558 L566 I569 L626 L635 R636 L637 | V521-I550 HydrophobicContact CG1-CD1 3.98Å; V521-I550 HydrophobicContact CG1-CG1 3.91Å; I550-A557 CarbonylContact O-C 3.57Å; I550-A557 WeakPolarHBondContact O-CA 3.1Å; I550-L558 HydrophobicContact CB-CB 4.46Å; I550-L558 HydrophobicContact CG2-CB 4.43Å; I550-L558 HydrophobicContact CG2-CD1 4.26Å; I550-L558 HydrophobicContact CG2-CD2 4.2Å; I550-L558 PolarHBondContact O-N 3.38Å; I550-L566 HydrophobicContact CD1-CD2 3.68Å; I550-I569 HydrophobicContact CD1-CD1 4.2Å; I550-L626 HydrophobicContact CD1-CD1 4.38Å; I550-L626 HydrophobicContact CD1-CD2 3.66Å; I550-L626 HydrophobicContact CG1-CD1 3.96Å; I550-L626 HydrophobicContact CG1-CD2 4.17Å; I550-L626 HydrophobicContact CG2-CD1 4.2Å; I550-L635 HydrophobicContact CG2-CB 4.29Å; I550-L635 HydrophobicContact CG2-CD1 4.32Å; I550-L635 HydrophobicContact CG2-CD2 4.39Å; I550-R636 CarbonylContact C-O 3.58Å; I550-R636 VanDerWaalsContact CA-O 3.32Å; I550-R636 WeakPolarHBondContact CA-O 3.45Å; I550-L637 HydrophobicContact CG1-CD1 3.89Å |
| 551 | V | 92 | Very high | 89.9 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 152.3 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | M549 M556 L558 L635 R636 L638 | M549-V551 HydrophobicContact CE-CG1 4.16Å; M549-V551 HydrophobicContact CG-CG1 4.3Å; M549-V551 HydrophobicContact SD-CG1 4.42Å; V551-M556 CarbonylContact C-O 3.49Å; V551-M556 VanDerWaalsContact CA-O 3.27Å; V551-M556 WeakPolarHBondContact CA-O 3.41Å; V551-L558 VanDerWaalsContact C-CD1 3.45Å; V551-L635 WeakPolarHBondContact O-CA 3.41Å; V551-R636 HydrophobicContact CG2-CB 3.83Å; V551-R636 PolarHBondContact N-O 3.01Å; V551-R636 PolarHBondContact O-N 3.14Å; V551-L638 HydrophobicContact CB-CD1 4.5Å; V551-L638 HydrophobicContact CG1-CD1 3.85Å; V551-L638 HydrophobicContact CG1-CG 4.31Å; V551-L638 HydrophobicContact CG2-CD1 3.8Å; V551-L638 HydrophobicContact CG2-CG 3.92Å |
| 552 | D | 90.7 | Very high | 89.8 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | trans | -83.7 | 179.7 | 172.5 | 70.5 | 8.5 | 0 | 0 | 0 | 112.4 | N554 G555 M556 L558 R562 G634 L635 | D552-N554 PolarHBondContact O-N 3.29Å; D552-N554 WeakPolarHBondContact OD1-CA 3.24Å; D552-N554 WeakPolarHBondContact OD1-CB 3.39Å; D552-N554 PolarHBondContact OD1-N 3.42Å; D552-G555 WeakPolarHBondContact O-CA 3.3Å; D552-G555 PolarHBondContact O-N 3.2Å; D552-G555 PolarHBondContact OD1-N 3.09Å; D552-M556 PolarHBondContact N-O 3.15Å; D552-M556 WeakPolarHBondContact OD1-CB 3.42Å; D552-M556 PolarHBondContact OD1-N 3.02Å; D552-L558 HydrophobicContact CB-CD1 3.75Å; D552-R562 IonicContact OD2-CZ 3.53Å; D552-R562 IonicContact OD2-NH1 2.7Å; D552-R562 PolarHBondContact OD2-NH1 3.38Å; D552-R562 IonicContact OD2-NH2 3.44Å; D552-R562 PolarHBondContact OD2-NH2 3.24Å; D552-G634 CarbonylContact C-O 3.53Å; D552-L635 HydrophobicContact CB-CD2 4.4Å | ||
| 553 | M | 87.8 | Confident | 89.8 | Confident | 152 Ų | 152 | 43.8 Ų | 43.8 | 75% | 0.749 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19.9 | 176.7 | 66.5 | -178.1 | 178.9 | 0 | 0 | 114.7 | G555 G634 | M553-G555 VanDerWaalsContact C-N 3.32Å; M553-G634 PolarHBondContact N-O 3.09Å |
| 554 | N | 86.4 | Confident | 89.9 | Confident | 117 Ų | 117 | 42.5 Ų | 42.5 | 63% | 0.626 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 3.4 | 175.9 | -56.2 | -59 | 0 | 0 | 0 | 112.2 | D552 M556 | D552-N554 PolarHBondContact O-N 3.29Å; D552-N554 WeakPolarHBondContact OD1-CA 3.24Å; D552-N554 WeakPolarHBondContact OD1-CB 3.39Å; D552-N554 PolarHBondContact OD1-N 3.42Å; N554-M556 VanDerWaalsContact C-N 3.27Å; N554-M556 HydrophobicContact CB-CG 4.27Å; N554-M556 PolarHBondContact O-N 2.92Å |
| 555 | G | 83.8 | Confident | 90.1 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 72.6 | 16.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D552 M553 S606 | D552-G555 WeakPolarHBondContact O-CA 3.3Å; D552-G555 PolarHBondContact O-N 3.2Å; D552-G555 PolarHBondContact OD1-N 3.09Å; M553-G555 VanDerWaalsContact C-N 3.32Å; G555-S606 WeakPolarHBondContact O-CB 3.29Å; G555-S606 PolarHBondContact O-OG 2.94Å |
| 556 | M | 85.6 | Confident | 90.3 | Very high | 94 Ų | 94 | 44 Ų | 44 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -88.4 | 129.3 | 179 | -66.5 | -64.4 | -62.1 | 0 | 0 | 110.6 | V551 D552 N554 L558 | V551-M556 CarbonylContact C-O 3.49Å; V551-M556 VanDerWaalsContact CA-O 3.27Å; V551-M556 WeakPolarHBondContact CA-O 3.41Å; D552-M556 PolarHBondContact N-O 3.15Å; D552-M556 WeakPolarHBondContact OD1-CB 3.42Å; D552-M556 PolarHBondContact OD1-N 3.02Å; N554-M556 VanDerWaalsContact C-N 3.27Å; N554-M556 HydrophobicContact CB-CG 4.27Å; N554-M556 PolarHBondContact O-N 2.92Å; M556-L558 PolarHBondContact O-N 2.92Å |
| 557 | A | 87.8 | Confident | 90.5 | Very high | 25 Ų | 25 | 42 Ų | 42 | 21% | 0.207 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 125.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M549 I550 V608 | M549-A557 HydrophobicContact SD-CB 4.17Å; I550-A557 CarbonylContact O-C 3.57Å; I550-A557 WeakPolarHBondContact O-CA 3.1Å; A557-V608 HydrophobicContact CB-CG2 4.38Å |
| 558 | L | 91.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 143.1 | 172.1 | -89.1 | 75.3 | 0 | 0 | 0 | 110.2 | S523 I550 V551 D552 M556 C563 L566 M632 L635 | S523-L558 PolarHBondContact OG-O 3.37Å; I550-L558 HydrophobicContact CB-CB 4.46Å; I550-L558 HydrophobicContact CG2-CB 4.43Å; I550-L558 HydrophobicContact CG2-CD1 4.26Å; I550-L558 HydrophobicContact CG2-CD2 4.2Å; I550-L558 PolarHBondContact O-N 3.38Å; V551-L558 VanDerWaalsContact C-CD1 3.45Å; D552-L558 HydrophobicContact CB-CD1 3.75Å; M556-L558 PolarHBondContact O-N 2.92Å; L558-C563 HydrophobicContact CD2-CB 4.41Å; L558-L566 HydrophobicContact CB-CD1 3.98Å; L558-M632 HydrophobicContact CD2-CE 4.02Å; L558-M632 HydrophobicContact CD2-SD 3.97Å; L558-L635 HydrophobicContact CD1-CD2 3.69Å; L558-L635 HydrophobicContact CD2-CD1 4.25Å; L558-L635 HydrophobicContact CD2-CD2 3.74Å; L558-L635 HydrophobicContact CG-CD2 4.37Å |
| 559 | T | 90.4 | Very high | 91.1 | Very high | 51 Ų | 51 | 42 Ų | 42 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | trans | -130.9 | 153.2 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 109.4 | K561 R562 C563 | T559-K561 PolarHBondContact O-N 2.77Å; T559-R562 PolarHBondContact O-N 3.14Å; T559-C563 PolarHBondContact O-N 3.14Å; T559-C563 VanDerWaalsContact O-N 3.07Å | ||
| 560 | Q | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -19.3 | 175 | -101.6 | -176.4 | 40.6 | 0 | 0 | 113.2 | S523 R562 C563 T564 L566 C567 M723 I726 | S523-Q560 WeakPolarHBondContact O-CG 3.3Å; S523-Q560 PolarHBondContact O-NE2 2.92Å; Q560-R562 VanDerWaalsContact C-N 3.33Å; Q560-C563 VanDerWaalsContact CA-O 3.31Å; Q560-C563 WeakPolarHBondContact CA-O 3.35Å; Q560-T564 WeakPolarHBondContact O-CG2 3.27Å; Q560-L566 HydrophobicContact CG-CB 4.03Å; Q560-C567 HydrophobicContact CG-CB 4.21Å; Q560-C567 VanDerWaalsContact NE2-CB 3.29Å; Q560-M723 HydrophobicContact CB-CE 4Å; Q560-M723 HydrophobicContact CB-SD 3.16Å; Q560-M723 WeakPolarHBondContact CB-SD 3.49Å; Q560-M723 HydrophobicContact CG-SD 4.32Å; Q560-I726 HydrophobicContact CB-CD1 3.72Å; Q560-I726 HydrophobicContact CG-CD1 4.4Å; Q560-I726 VanDerWaalsContact O-CD1 3.28Å; Q560-I726 WeakPolarHBondContact O-CD1 3.4Å |
| 561 | K | 86.2 | Confident | 91.4 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32 | 172.5 | -66.3 | -167.2 | 177.8 | -156.3 | 0 | 113.2 | T559 D722 M723 R733 | T559-K561 PolarHBondContact O-N 2.77Å; K561-D722 IonicContact NZ-OD2 3.63Å; K561-D722 PolarHBondContact NZ-OD2 3.07Å; K561-M723 HydrophobicContact CG-CE 3.98Å; K561-M723 HydrophobicContact CG-SD 4.16Å; K561-R733 PolarHBondContact O-NH2 3.13Å |
| 562 | R | 88.3 | Confident | 91.6 | Very high | 149 Ų | 149 | 49.3 Ų | 49.3 | 56% | 0.562 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -34.9 | -179.2 | -176.2 | 178.4 | 174.6 | -169 | -2.4 | 112.3 | D552 T559 Q560 | D552-R562 IonicContact OD2-CZ 3.53Å; D552-R562 IonicContact OD2-NH1 2.7Å; D552-R562 PolarHBondContact OD2-NH1 3.38Å; D552-R562 IonicContact OD2-NH2 3.44Å; D552-R562 PolarHBondContact OD2-NH2 3.24Å; T559-R562 PolarHBondContact O-N 3.14Å; Q560-R562 VanDerWaalsContact C-N 3.33Å |
| 563 | C | 93 | Very high | 91.7 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -140.3 | 97.6 | -178.5 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | L558 T559 Q560 E565 L566 M632 | L558-C563 HydrophobicContact CD2-CB 4.41Å; T559-C563 PolarHBondContact O-N 3.14Å; T559-C563 VanDerWaalsContact O-N 3.07Å; Q560-C563 VanDerWaalsContact CA-O 3.31Å; Q560-C563 WeakPolarHBondContact CA-O 3.35Å; C563-E565 VanDerWaalsContact C-N 3.25Å; C563-E565 PolarHBondContact O-N 2.87Å; C563-L566 HydrophobicContact CB-CD1 4.18Å; C563-L566 HydrophobicContact CB-CG 4.15Å; C563-L566 WeakPolarHBondContact O-CD1 3.33Å; C563-L566 VanDerWaalsContact O-CG 3.28Å; C563-L566 WeakPolarHBondContact O-CG 3.49Å; C563-L566 PolarHBondContact O-N 2.99Å; C563-M632 HydrophobicContact CB-SD 4.28Å | ||
| 564 | T | 93.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -65.7 | -31.7 | -175.1 | 30.9 | 0 | 0 | 0 | 0 | 112.1 | Q560 L566 C567 I726 G731 | Q560-T564 WeakPolarHBondContact O-CG2 3.27Å; T564-L566 PolarHBondContact O-N 2.88Å; T564-C567 PolarHBondContact O-N 2.81Å; T564-C567 PolarHBondContact O-SG 2.89Å; T564-I726 HydrophobicContact CG2-CD1 3.89Å; T564-I726 HydrophobicContact CG2-CG1 4.01Å; T564-I726 HydrophobicContact CG2-CG2 4.18Å; T564-G731 VanDerWaalsContact CB-O 3.23Å; T564-G731 WeakPolarHBondContact CB-O 3.47Å; T564-G731 WeakPolarHBondContact CG2-O 3.44Å |
| 565 | E | 94.8 | Very high | 91.3 | Very high | 85 Ų | 85 | 49 Ų | 49 | 40% | 0.397 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -58.5 | -19.3 | -179.6 | -63.6 | 76.8 | -172 | 0 | 0 | 112.8 | C563 C567 L568 F582 L630 | C563-E565 VanDerWaalsContact C-N 3.25Å; C563-E565 PolarHBondContact O-N 2.87Å; E565-C567 PolarHBondContact O-N 3.05Å; E565-L568 WeakPolarHBondContact O-CA 3.36Å; E565-L568 VanDerWaalsContact O-CB 3.3Å; E565-L568 WeakPolarHBondContact O-CB 3.3Å; E565-L568 PolarHBondContact O-N 3.14Å; E565-F582 HydrophobicContact CB-CE2 4.48Å; E565-L630 HydrophobicContact CB-CD2 3.82Å |
| 566 | L | 95.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -53 | -36.2 | 169.9 | -67.2 | 171.5 | 0 | 0 | 0 | 111.9 | C524 I550 L558 Q560 C563 T564 L568 I569 L630 | C524-L566 VanDerWaalsContact CA-O 3.27Å; C524-L566 WeakPolarHBondContact CA-O 2.97Å; I550-L566 HydrophobicContact CD1-CD2 3.68Å; L558-L566 HydrophobicContact CB-CD1 3.98Å; Q560-L566 HydrophobicContact CG-CB 4.03Å; C563-L566 HydrophobicContact CB-CD1 4.18Å; C563-L566 HydrophobicContact CB-CG 4.15Å; C563-L566 WeakPolarHBondContact O-CD1 3.33Å; C563-L566 VanDerWaalsContact O-CG 3.28Å; C563-L566 WeakPolarHBondContact O-CG 3.49Å; C563-L566 PolarHBondContact O-N 2.99Å; T564-L566 PolarHBondContact O-N 2.88Å; L566-L568 PolarHBondContact O-N 3.36Å; L566-L568 VanDerWaalsContact O-N 3.17Å; L566-I569 HydrophobicContact CD2-CD1 4.27Å; L566-I569 PolarHBondContact O-N 3.11Å; L566-I569 VanDerWaalsContact O-N 3.13Å; L566-L630 HydrophobicContact CD2-CD1 3.71Å |
| 567 | C | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -65.5 | -16.5 | 177.8 | 77.9 | 0 | 0 | 0 | 0 | 113.5 | A525 Q560 T564 E565 G731 | A525-C567 VanDerWaalsContact CB-O 3.26Å; A525-C567 WeakPolarHBondContact CB-O 3.22Å; Q560-C567 HydrophobicContact CG-CB 4.21Å; Q560-C567 VanDerWaalsContact NE2-CB 3.29Å; T564-C567 PolarHBondContact O-N 2.81Å; T564-C567 PolarHBondContact O-SG 2.89Å; E565-C567 PolarHBondContact O-N 3.05Å; C567-G731 VanDerWaalsContact SG-CA 3.57Å |
| 568 | L | 95.3 | Very high | 92.1 | Very high | 44 Ų | 44 | 50.2 Ų | 50.2 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -89.1 | -14.7 | 178.4 | -51.4 | 179.6 | 0 | 0 | 0 | 112.2 | E565 L566 R570 F582 R729 | E565-L568 WeakPolarHBondContact O-CA 3.36Å; E565-L568 VanDerWaalsContact O-CB 3.3Å; E565-L568 WeakPolarHBondContact O-CB 3.3Å; E565-L568 PolarHBondContact O-N 3.14Å; L566-L568 PolarHBondContact O-N 3.36Å; L566-L568 VanDerWaalsContact O-N 3.17Å; L568-R570 PolarHBondContact O-N 2.81Å; L568-F582 HydrophobicContact CB-CD2 4.15Å; L568-F582 HydrophobicContact CB-CE2 3.79Å; L568-R729 WeakPolarHBondContact CD2-O 3.36Å |
| 569 | I | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.3 | 169.3 | -60.8 | 175.9 | 0 | 0 | 0 | 108 | C524 A525 I550 L566 P571 L580 Q581 F582 W625 L626 L630 | C524-I569 HydrophobicContact CB-CB 4.27Å; C524-I569 HydrophobicContact CB-CG2 4.41Å; C524-I569 WeakPolarHBondContact CB-O 3.47Å; A525-I569 VanDerWaalsContact CB-O 3.25Å; A525-I569 WeakPolarHBondContact CB-O 3.47Å; A525-I569 PolarHBondContact N-O 2.88Å; I550-I569 HydrophobicContact CD1-CD1 4.2Å; L566-I569 HydrophobicContact CD2-CD1 4.27Å; L566-I569 PolarHBondContact O-N 3.11Å; L566-I569 VanDerWaalsContact O-N 3.13Å; I569-P571 VanDerWaalsContact O-CD 3.26Å; I569-P571 WeakPolarHBondContact O-CD 3.43Å; I569-L580 HydrophobicContact CG2-CB 4.07Å; I569-L580 HydrophobicContact CG2-CD2 4.39Å; I569-Q581 CarbonylContact C-O 3.58Å; I569-Q581 WeakPolarHBondContact CA-O 3.17Å; I569-F582 HydrophobicContact CG1-CD2 3.72Å; I569-F582 HydrophobicContact CG1-CE2 4.36Å; I569-W625 HydrophobicContact CD1-CZ3 4.48Å; I569-W625 HydrophobicContact CG2-CH2 4.32Å; I569-W625 HydrophobicContact CG2-CZ3 4.42Å; I569-L626 HydrophobicContact CD1-CD2 3.88Å; I569-L630 HydrophobicContact CD1-CD1 3.96Å; I569-L630 HydrophobicContact CD1-CD2 4.01Å; I569-L630 HydrophobicContact CD1-CG 4.19Å |
| 570 | R | 96.2 | Very high | 92.6 | Very high | 134 Ų | 134 | 49.2 Ų | 49.2 | 51% | 0.506 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 106.2 | -178.8 | -66.7 | -180 | -176.8 | 154 | 2.3 | 110.8 | A525 L568 Q581 | A525-R570 HydrophobicContact CB-CB 4.49Å; A525-R570 HydrophobicContact CB-CG 3.94Å; L568-R570 PolarHBondContact O-N 2.81Å; R570-Q581 HydrophobicContact CB-CB 4.31Å; R570-Q581 PolarHBondContact N-O 2.96Å; R570-Q581 PolarHBondContact O-N 3.06Å |
| 571 | P | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.9 | 172.1 | 30.5 | -32.4 | 0 | 0 | 0 | 110.8 | P520 A525 F527 I569 L578 E579 L580 | P520-P571 HydrophobicContact CB-CB 4.17Å; P520-P571 HydrophobicContact CG-CB 3.97Å; P520-P571 HydrophobicContact CG-CG 4.19Å; A525-P571 VanDerWaalsContact O-CD 3.24Å; A525-P571 WeakPolarHBondContact O-CD 3.35Å; A525-P571 VanDerWaalsContact O-CG 3.22Å; A525-P571 WeakPolarHBondContact O-CG 3.33Å; F527-P571 WeakPolarHBondContact CB-O 3.22Å; I569-P571 VanDerWaalsContact O-CD 3.26Å; I569-P571 WeakPolarHBondContact O-CD 3.43Å; P571-L578 HydrophobicContact CB-CD1 3.87Å; P571-E579 CarbonylContact C-O 3.57Å; P571-E579 VanDerWaalsContact CA-O 3.27Å; P571-E579 WeakPolarHBondContact CA-O 3.39Å; P571-L580 HydrophobicContact CB-CD2 3.87Å |
| 572 | V | 95 | Very high | 93.2 | Very high | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.4 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | F527 K574 E579 | F527-V572 HydrophobicContact CD2-CG1 4.39Å; F527-V572 HydrophobicContact CE2-CG1 3.98Å; V572-K574 HydrophobicContact CG1-CG 4.01Å; V572-E579 HydrophobicContact CB-CB 4.35Å; V572-E579 PolarHBondContact N-O 2.97Å; V572-E579 PolarHBondContact O-N 3.44Å |
| 573 | I | 93 | Very high | 93.2 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117.3 | 177.1 | -63.4 | 174.4 | 0 | 0 | 0 | 107.8 | P520 F527 W535 Y544 L578 L592 | P520-I573 HydrophobicContact CB-CD1 4.49Å; P520-I573 HydrophobicContact CG-CD1 3.76Å; P520-I573 HydrophobicContact CG-CG1 4.14Å; F527-I573 HydrophobicContact CD1-CB 4.41Å; F527-I573 HydrophobicContact CD1-CD1 4.36Å; F527-I573 HydrophobicContact CD1-CG1 4.42Å; F527-I573 HydrophobicContact CE1-CB 4.14Å; W535-I573 HydrophobicContact CH2-CB 4.09Å; W535-I573 HydrophobicContact CH2-CD1 4.38Å; W535-I573 HydrophobicContact CH2-CG2 3.98Å; W535-I573 HydrophobicContact CZ2-CB 4.41Å; W535-I573 HydrophobicContact CZ2-CD1 3.86Å; W535-I573 HydrophobicContact CZ2-CG2 4.25Å; Y544-I573 HydrophobicContact CD2-CD1 3.64Å; Y544-I573 HydrophobicContact CD2-CG2 4.17Å; Y544-I573 HydrophobicContact CE2-CG2 4.2Å; Y544-I573 HydrophobicContact CG-CD1 3.91Å; I573-L578 HydrophobicContact CG1-CD1 4.27Å; I573-L592 HydrophobicContact CG2-CD1 3.85Å |
| 574 | K | 87 | Confident | 92.8 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.6 | 177.6 | -68 | -175.9 | -178.6 | 165.2 | 0 | 109.1 | V572 D576 Q577 E579 | V572-K574 HydrophobicContact CG1-CG 4.01Å; K574-D576 VanDerWaalsContact C-N 3.34Å; K574-D576 PolarHBondContact O-N 2.89Å; K574-Q577 PolarHBondContact N-O 2.92Å; K574-Q577 PolarHBondContact O-N 3.13Å; K574-E579 VanDerWaalsContact CD-OE2 3.25Å; K574-E579 WeakPolarHBondContact CD-OE2 3.48Å; K574-E579 WeakPolarHBondContact CE-OE2 3.38Å; K574-E579 IonicContact NZ-OE1 2.72Å; K574-E579 IonicContact NZ-OE2 3.96Å; K574-E579 PolarHBondContact NZ-OE2 2.75Å |
| 575 | V | 79.9 | Confident | 92.4 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 89% | 0.891 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | -87 | 173 | -172.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 576 | D | 86.2 | Confident | 92.3 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 5.2 | -175.9 | 64.7 | -35 | 0 | 0 | 0 | 113.6 | K574 L592 | K574-D576 VanDerWaalsContact C-N 3.34Å; K574-D576 PolarHBondContact O-N 2.89Å; D576-L592 WeakPolarHBondContact O-CB 3.25Å; D576-L592 WeakPolarHBondContact O-CG 3.39Å; D576-L592 PolarHBondContact O-N 3.42Å |
| 577 | Q | 92.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.4 | -174.9 | -61.4 | -174.6 | 8 | 0 | 0 | 113.8 | K574 S589 V590 | K574-Q577 PolarHBondContact N-O 2.92Å; K574-Q577 PolarHBondContact O-N 3.13Å; Q577-S589 PolarHBondContact OE1-OG 3.02Å; Q577-V590 WeakPolarHBondContact CA-O 3.33Å |
| 578 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.4 | 162.6 | 173.8 | 63.2 | 0 | 0 | 0 | 108.6 | P520 V521 W548 P571 I573 L580 S589 V590 L592 | P520-L578 HydrophobicContact CB-CD1 3.81Å; P520-L578 HydrophobicContact CB-CD2 4.5Å; P520-L578 HydrophobicContact CG-CD1 4.29Å; V521-L578 HydrophobicContact CG2-CD2 4.06Å; W548-L578 HydrophobicContact CD2-CD2 3.61Å; W548-L578 HydrophobicContact CE3-CD2 3.87Å; W548-L578 HydrophobicContact CG-CD2 4.05Å; W548-L578 HydrophobicContact CH2-CD2 4.31Å; W548-L578 HydrophobicContact CZ2-CD2 4.04Å; W548-L578 HydrophobicContact CZ3-CD2 4.21Å; P571-L578 HydrophobicContact CB-CD1 3.87Å; I573-L578 HydrophobicContact CG1-CD1 4.27Å; L578-L580 HydrophobicContact CD1-CD2 4.12Å; L578-L580 HydrophobicContact CD2-CD2 4.26Å; L578-L580 HydrophobicContact CG-CD2 4.02Å; L578-S589 CarbonylContact O-C 3.54Å; L578-S589 WeakPolarHBondContact O-CA 3.47Å; L578-V590 PolarHBondContact N-O 2.99Å; L578-V590 PolarHBondContact O-N 3.17Å; L578-L592 HydrophobicContact CB-CD2 3.95Å |
| 579 | E | 95.3 | Very high | 92.2 | Very high | 35 Ų | 35 | 62 Ų | 62 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.5 | 169 | -105.7 | -177.1 | 137 | 0 | 0 | 110.2 | P571 V572 K574 T587 I588 S589 | P571-E579 CarbonylContact C-O 3.57Å; P571-E579 VanDerWaalsContact CA-O 3.27Å; P571-E579 WeakPolarHBondContact CA-O 3.39Å; V572-E579 HydrophobicContact CB-CB 4.35Å; V572-E579 PolarHBondContact N-O 2.97Å; V572-E579 PolarHBondContact O-N 3.44Å; K574-E579 VanDerWaalsContact CD-OE2 3.25Å; K574-E579 WeakPolarHBondContact CD-OE2 3.48Å; K574-E579 WeakPolarHBondContact CE-OE2 3.38Å; K574-E579 IonicContact NZ-OE1 2.72Å; K574-E579 IonicContact NZ-OE2 3.96Å; K574-E579 PolarHBondContact NZ-OE2 2.75Å; E579-T587 HydrophobicContact CB-CG2 4.39Å; E579-T587 HydrophobicContact CG-CG2 3.78Å; E579-T587 WeakPolarHBondContact OE1-CG2 3.29Å; E579-I588 CarbonylContact C-O 3.5Å; E579-I588 WeakPolarHBondContact CA-O 3.44Å; E579-S589 WeakPolarHBondContact CG-OG 3.38Å |
| 580 | L | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.5 | 169.8 | -53.8 | -178.9 | 0 | 0 | 0 | 108.5 | V521 I569 P571 L578 T587 I588 V622 W625 L637 | V521-L580 HydrophobicContact CG2-CD1 4.39Å; V521-L580 HydrophobicContact CG2-CD2 3.61Å; I569-L580 HydrophobicContact CG2-CB 4.07Å; I569-L580 HydrophobicContact CG2-CD2 4.39Å; P571-L580 HydrophobicContact CB-CD2 3.87Å; L578-L580 HydrophobicContact CD1-CD2 4.12Å; L578-L580 HydrophobicContact CD2-CD2 4.26Å; L578-L580 HydrophobicContact CG-CD2 4.02Å; L580-T587 CarbonylContact O-C 3.43Å; L580-T587 VanDerWaalsContact O-CA 3.28Å; L580-T587 WeakPolarHBondContact O-CA 3.32Å; L580-I588 HydrophobicContact CB-CG2 3.92Å; L580-I588 HydrophobicContact CD1-CG2 4.44Å; L580-I588 HydrophobicContact CG-CG2 4.46Å; L580-I588 PolarHBondContact N-O 3.21Å; L580-I588 PolarHBondContact O-N 3.37Å; L580-V622 HydrophobicContact CD1-CG2 4.27Å; L580-W625 HydrophobicContact CB-CH2 3.94Å; L580-W625 HydrophobicContact CB-CZ3 3.94Å; L580-W625 HydrophobicContact CD1-CZ3 4.39Å; L580-L637 HydrophobicContact CD1-CD2 4.19Å |
| 581 | Q | 96 | Very high | 91.5 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.6 | -179.1 | -59.6 | 174.6 | -4 | 0 | 0 | 110.3 | I569 R570 S586 T587 | I569-Q581 CarbonylContact C-O 3.58Å; I569-Q581 WeakPolarHBondContact CA-O 3.17Å; R570-Q581 HydrophobicContact CB-CB 4.31Å; R570-Q581 PolarHBondContact N-O 2.96Å; R570-Q581 PolarHBondContact O-N 3.06Å; Q581-S586 CarbonylContact C-O 3.54Å; Q581-S586 WeakPolarHBondContact CA-O 3.37Å; Q581-T587 HydrophobicContact CG-CG2 3.8Å |
| 582 | F | 94.9 | Very high | 91 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 109.7 | 174.9 | -171.9 | -96 | 0 | 0 | 0 | 109.8 | E565 L568 I569 S586 W625 N629 L630 | E565-F582 HydrophobicContact CB-CE2 4.48Å; L568-F582 HydrophobicContact CB-CD2 4.15Å; L568-F582 HydrophobicContact CB-CE2 3.79Å; I569-F582 HydrophobicContact CG1-CD2 3.72Å; I569-F582 HydrophobicContact CG1-CE2 4.36Å; F582-S586 PolarHBondContact N-O 3.28Å; F582-S586 WeakPolarHBondContact O-CB 3.41Å; F582-W625 HydrophobicContact CB-CH2 3.78Å; F582-W625 HydrophobicContact CB-CZ2 3.74Å; F582-N629 HydrophobicContact CB-CB 4.42Å; F582-N629 HydrophobicContact CD1-CB 3.84Å; F582-N629 WeakPolarHBondContact CD1-OD1 3.33Å; F582-N629 HydrophobicContact CE1-CB 4.22Å; F582-N629 HydrophobicContact CG-CB 4.08Å; F582-L630 HydrophobicContact CE2-CD2 4.42Å |
| 583 | G | 89.5 | Confident | 90.1 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -163.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 584 | E | 83.8 | Confident | 88.9 | Confident | 187 Ų | 187 | 62 Ų | 62 | 87% | 0.874 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -25.2 | -173.3 | -65.1 | -175 | 165.1 | 0 | 0 | 114.1 | ||
| 585 | N | 84.9 | Confident | 87.7 | Confident | 162 Ų | 162 | 63.5 Ų | 63.5 | 87% | 0.866 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 8.5 | -166.8 | -65.2 | -34.2 | 0 | 0 | 0 | 114.8 | ||
| 586 | S | 93 | Very high | 86.5 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 112.1 | -178.1 | -166.7 | 0 | 0 | 0 | 0 | 110.4 | Q581 F582 W625 N629 | Q581-S586 CarbonylContact C-O 3.54Å; Q581-S586 WeakPolarHBondContact CA-O 3.37Å; F582-S586 PolarHBondContact N-O 3.28Å; F582-S586 WeakPolarHBondContact O-CB 3.41Å; S586-W625 PolarHBondContact OG-NE1 3.41Å; S586-N629 WeakPolarHBondContact CB-OD1 3.39Å; S586-N629 PolarHBondContact OG-ND2 3.49Å; S586-N629 PolarHBondContact OG-OD1 3.23Å |
| 587 | T | 95 | Very high | 84.9 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.8 | -178.1 | -53.7 | 0 | 0 | 0 | 0 | 111 | E579 L580 Q581 | E579-T587 HydrophobicContact CB-CG2 4.39Å; E579-T587 HydrophobicContact CG-CG2 3.78Å; E579-T587 WeakPolarHBondContact OE1-CG2 3.29Å; L580-T587 CarbonylContact O-C 3.43Å; L580-T587 VanDerWaalsContact O-CA 3.28Å; L580-T587 WeakPolarHBondContact O-CA 3.32Å; Q581-T587 HydrophobicContact CG-CG2 3.8Å |
| 588 | I | 95.3 | Very high | 82.8 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.2 | 173.8 | -168.3 | 65 | 0 | 0 | 0 | 110.4 | E579 L580 V622 W625 | E579-I588 CarbonylContact C-O 3.5Å; E579-I588 WeakPolarHBondContact CA-O 3.44Å; L580-I588 HydrophobicContact CB-CG2 3.92Å; L580-I588 HydrophobicContact CD1-CG2 4.44Å; L580-I588 HydrophobicContact CG-CG2 4.46Å; L580-I588 PolarHBondContact N-O 3.21Å; L580-I588 PolarHBondContact O-N 3.37Å; I588-V622 HydrophobicContact CG1-CB 4.43Å; I588-V622 HydrophobicContact CG2-CG2 4.17Å; I588-W625 HydrophobicContact CB-CB 4.39Å; I588-W625 HydrophobicContact CB-CD2 3.94Å; I588-W625 HydrophobicContact CB-CG 3.85Å; I588-W625 HydrophobicContact CG1-CB 4.41Å; I588-W625 HydrophobicContact CG1-CG 4.39Å; I588-W625 HydrophobicContact CG2-CB 4.38Å; I588-W625 HydrophobicContact CG2-CD2 3.4Å; I588-W625 VanDerWaalsContact CG2-CD2 3.4Å; I588-W625 HydrophobicContact CG2-CE3 3.51Å; I588-W625 HydrophobicContact CG2-CG 3.8Å; I588-W625 HydrophobicContact CG2-CH2 4.36Å; I588-W625 HydrophobicContact CG2-CZ2 4.28Å; I588-W625 HydrophobicContact CG2-CZ3 4Å |
| 589 | S | 93 | Very high | 80.6 | Confident | 50 Ų | 50 | 61 Ų | 61 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.1 | 179.3 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | Q577 L578 E579 | Q577-S589 PolarHBondContact OE1-OG 3.02Å; L578-S589 CarbonylContact O-C 3.54Å; L578-S589 WeakPolarHBondContact O-CA 3.47Å; E579-S589 WeakPolarHBondContact CG-OG 3.38Å |
| 590 | V | 91.5 | Very high | 78.3 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.03 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.4 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 109 | Q577 L578 C618 V622 L637 | Q577-V590 WeakPolarHBondContact CA-O 3.33Å; L578-V590 PolarHBondContact N-O 2.99Å; L578-V590 PolarHBondContact O-N 3.17Å; V590-C618 HydrophobicContact CG1-CB 3.87Å; V590-C618 HydrophobicContact CG2-CB 4.43Å; V590-V622 HydrophobicContact CG2-CB 4.13Å; V590-V622 HydrophobicContact CG2-CG1 4.31Å; V590-V622 HydrophobicContact CG2-CG2 4.06Å; V590-L637 HydrophobicContact CG2-CD2 4.13Å |
| 591 | P | 88.3 | Confident | 76 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 143.6 | 176.6 | -23.1 | 33.3 | 0 | 0 | 0 | 112.9 | D596 Q597 | P591-D596 HydrophobicContact CB-CB 3.99Å; P591-D596 HydrophobicContact CG-CB 4.38Å; P591-Q597 PolarHBondContact O-NE2 3.26Å |
| 592 | L | 84.9 | Confident | 73.9 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.047 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -83.5 | -21.1 | 173.4 | -65 | 171.6 | 0 | 0 | 0 | 112.7 | Y544 W548 I573 D576 L578 R639 | Y544-L592 HydrophobicContact CD1-CD2 4.31Å; Y544-L592 HydrophobicContact CE1-CD2 4.17Å; Y544-L592 HydrophobicContact CE2-CD1 4.15Å; W548-L592 HydrophobicContact CH2-CD2 3.59Å; W548-L592 HydrophobicContact CZ2-CD2 3.94Å; I573-L592 HydrophobicContact CG2-CD1 3.85Å; D576-L592 WeakPolarHBondContact O-CB 3.25Å; D576-L592 WeakPolarHBondContact O-CG 3.39Å; D576-L592 PolarHBondContact O-N 3.42Å; L578-L592 HydrophobicContact CB-CD2 3.95Å; L592-R639 VanDerWaalsContact O-CZ 3.31Å; L592-R639 PolarHBondContact O-NH1 2.7Å; L592-R639 PolarHBondContact O-NH2 3.38Å; L592-R639 VanDerWaalsContact O-NH2 3.14Å |
| 593 | S | 76.6 | Confident | 71.8 | Confident | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | trans | -68.9 | 135.5 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | D595 D596 Q597 | S593-D595 VanDerWaalsContact C-N 3.34Å; S593-D595 PolarHBondContact OG-N 2.76Å; S593-D596 WeakPolarHBondContact CB-OD2 3.47Å; S593-Q597 PolarHBondContact O-N 2.79Å | ||
| 594 | L | 68.3 | Low | 70.1 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 40% | 0.403 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.7 | -30.7 | 170.2 | -74.1 | 169.5 | 0 | 0 | 0 | 111.4 | D596 Q597 A598 L616 | L594-D596 VanDerWaalsContact C-N 3.32Å; L594-D596 PolarHBondContact O-N 3.28Å; L594-Q597 PolarHBondContact O-N 3.29Å; L594-A598 VanDerWaalsContact O-CB 3.31Å; L594-A598 WeakPolarHBondContact O-CB 3.35Å; L594-A598 PolarHBondContact O-N 2.97Å; L594-L616 HydrophobicContact CD2-CD1 3.59Å |
| 595 | D | 61.4 | Low | 68.5 | Low | 138 Ų | 138 | 69.4 Ų | 69.4 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | -179.7 | -62.9 | -33.3 | 0 | 0 | 0 | 111.1 | S593 | S593-D595 VanDerWaalsContact C-N 3.34Å; S593-D595 PolarHBondContact OG-N 2.76Å |
| 596 | D | 55 | Low | 67 | Low | 106 Ų | 106 | 61.8 Ų | 61.8 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.4 | -28.3 | 175.7 | -64.6 | -34.3 | 0 | 0 | 0 | 112.6 | P591 S593 L594 | P591-D596 HydrophobicContact CB-CB 3.99Å; P591-D596 HydrophobicContact CG-CB 4.38Å; S593-D596 WeakPolarHBondContact CB-OD2 3.47Å; L594-D596 VanDerWaalsContact C-N 3.32Å; L594-D596 PolarHBondContact O-N 3.28Å |
| 597 | Q | 51.9 | Low | 64.9 | Low | 11 Ų | 11 | 67.4 Ų | 67.4 | 5% | 0.051 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -79.1 | -38.9 | 175.2 | -72.2 | -178.5 | -0.7 | 0 | 0 | 111.6 | P591 S593 L594 A599 T601 | P591-Q597 PolarHBondContact O-NE2 3.26Å; S593-Q597 PolarHBondContact O-N 2.79Å; L594-Q597 PolarHBondContact O-N 3.29Å; Q597-A599 PolarHBondContact O-N 2.8Å; Q597-A599 VanDerWaalsContact O-N 3.1Å; Q597-T601 WeakPolarHBondContact O-CB 3.13Å; Q597-T601 WeakPolarHBondContact O-CG2 3.14Å; Q597-T601 PolarHBondContact O-OG1 2.74Å |
| 598 | A | 49.6 | Very low | 62.7 | Low | 64 Ų | 64 | 65 Ų | 65 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -18.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L594 D600 | L594-A598 VanDerWaalsContact O-CB 3.31Å; L594-A598 WeakPolarHBondContact O-CB 3.35Å; L594-A598 PolarHBondContact O-N 2.97Å; A598-D600 PolarHBondContact O-N 2.9Å |
| 599 | A | 48.4 | Very low | 60.4 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 65% | 0.653 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q597 | Q597-A599 PolarHBondContact O-N 2.8Å; Q597-A599 VanDerWaalsContact O-N 3.1Å |
| 600 | D | 46.6 | Very low | 58.1 | Low | 164 Ų | 164 | 77.9 Ų | 77.9 | 88% | 0.877 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.2 | 11.8 | -177.3 | -90.8 | -35.9 | 0 | 0 | 0 | 115.6 | A598 | A598-D600 PolarHBondContact O-N 2.9Š|
| 601 | T | 47.4 | Very low | 56.2 | Low | 34 Ų | 34 | 82.9 Ų | 82.9 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 124.5 | -168.1 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | Q597 D617 | Q597-T601 WeakPolarHBondContact O-CB 3.13Å; Q597-T601 WeakPolarHBondContact O-CG2 3.14Å; Q597-T601 PolarHBondContact O-OG1 2.74Å; T601-D617 WeakPolarHBondContact CG2-O 3.42Å |
| 602 | A | 53 | Low | 54.6 | Low | 63 Ų | 63 | 85.2 Ų | 85.2 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -67 | 129.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C604 | A602-C604 PolarHBondContact O-N 3.4Š|
| 603 | K | 51.1 | Low | 53.4 | Low | 145 Ų | 145 | 85.2 Ų | 85.2 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 117.3 | 166 | -75.2 | -173.4 | 175.6 | -169.2 | 0 | 108.7 | E614 L616 | K603-E614 IonicContact NZ-OE2 3.33Å; K603-L616 HydrophobicContact CG-CD2 4.12Å |
| 604 | C | 54 | Low | 52.9 | Low | 46 Ų | 46 | 88 Ų | 88 | 31% | 0.311 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.6 | 177.7 | -73.1 | 0 | 0 | 0 | 0 | 110.2 | A602 G615 L638 | A602-C604 PolarHBondContact O-N 3.4Å; C604-G615 PolarHBondContact N-O 3.19Å; C604-G615 PolarHBondContact O-N 2.77Å; C604-L638 HydrophobicContact CB-CD1 4.37Å; C604-L638 HydrophobicContact CB-CD2 4.35Å |
| 605 | V | 49.5 | Very low | 53.2 | Low | 102 Ų | 102 | 84.4 Ų | 84.4 | 62% | 0.618 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 107 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108.4 | P612 E614 | V605-P612 HydrophobicContact CG1-CB 3.52Å; V605-E614 HydrophobicContact CG2-CG 4.46Å |
| 606 | S | 52.5 | Low | 54.2 | Low | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.014 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 156.7 | 172.5 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | G555 P612 V613 | G555-S606 WeakPolarHBondContact O-CB 3.29Å; G555-S606 PolarHBondContact O-OG 2.94Å; S606-P612 CarbonylContact O-C 3.57Å; S606-P612 VanDerWaalsContact O-CA 3.31Å; S606-P612 WeakPolarHBondContact O-CA 3.43Å; S606-V613 PolarHBondContact N-O 3.3Å; S606-V613 PolarHBondContact O-N 3.31Å |
| 607 | K | 49.3 | Very low | 55.7 | Low | 145 Ų | 145 | 74.1 Ų | 74.1 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.3 | 172.3 | -70.9 | -179.3 | -176.9 | 173.3 | 0 | 110.3 | ||
| 608 | V | 49.6 | Very low | 57.5 | Low | 11 Ų | 11 | 74.6 Ų | 74.6 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.4 | 170.7 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | M549 A557 R610 Q611 V613 L655 | M549-V608 HydrophobicContact CE-CG2 4.05Å; M549-V608 HydrophobicContact SD-CG2 3.71Å; A557-V608 HydrophobicContact CB-CG2 4.38Å; V608-R610 PolarHBondContact O-N 3.09Å; V608-R610 VanDerWaalsContact O-N 3.15Å; V608-Q611 PolarHBondContact N-O 3.18Å; V608-Q611 PolarHBondContact O-N 2.93Å; V608-Q611 VanDerWaalsContact O-O 3.14Å; V608-V613 HydrophobicContact CB-CG2 3.95Å; V608-V613 HydrophobicContact CG2-CB 4.49Å; V608-V613 HydrophobicContact CG2-CG2 4Å; V608-L655 HydrophobicContact CB-CD2 4.44Å; V608-L655 HydrophobicContact CG1-CD2 4.2Å; V608-L655 HydrophobicContact CG2-CD2 4.01Å |
| 609 | C | 46.1 | Very low | 59.4 | Low | 97 Ų | 97 | 72.9 Ų | 72.9 | 66% | 0.655 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 41.4 | -178.6 | -65.3 | 0 | 0 | 0 | 0 | 114 | Q611 | C609-Q611 PolarHBondContact O-N 2.96Š|
| 610 | R | 45.8 | Very low | 61.5 | Low | 246 Ų | 246 | 74.4 Ų | 74.4 | 93% | 0.928 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 8.7 | -177.4 | -51.2 | 178.8 | 179.5 | 176.1 | -0.8 | 115.6 | V608 | V608-R610 PolarHBondContact O-N 3.09Å; V608-R610 VanDerWaalsContact O-N 3.15Å |
| 611 | Q | 50.7 | Low | 63.7 | Low | 111 Ų | 111 | 76.1 Ų | 76.1 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.9 | 171.5 | -67.2 | -172 | -21.1 | 0 | 0 | 110.9 | V608 C609 | V608-Q611 PolarHBondContact N-O 3.18Å; V608-Q611 PolarHBondContact O-N 2.93Å; V608-Q611 VanDerWaalsContact O-O 3.14Å; C609-Q611 PolarHBondContact O-N 2.96Å |
| 612 | P | 54.3 | Low | 66 | Low | 98 Ų | 98 | 74.6 Ų | 74.6 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.8 | 170.7 | 26.5 | -30.1 | 0 | 0 | 0 | 110 | V605 S606 | V605-P612 HydrophobicContact CG1-CB 3.52Å; S606-P612 CarbonylContact O-C 3.57Å; S606-P612 VanDerWaalsContact O-CA 3.31Å; S606-P612 WeakPolarHBondContact O-CA 3.43Å |
| 613 | V | 59.8 | Low | 67.9 | Low | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.3 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | S606 V608 Q640 L655 | S606-V613 PolarHBondContact N-O 3.3Å; S606-V613 PolarHBondContact O-N 3.31Å; V608-V613 HydrophobicContact CB-CG2 3.95Å; V608-V613 HydrophobicContact CG2-CB 4.49Å; V608-V613 HydrophobicContact CG2-CG2 4Å; V613-Q640 HydrophobicContact CG1-CG 4.18Å; V613-L655 HydrophobicContact CG1-CD2 4.43Å; V613-L655 HydrophobicContact CG2-CD2 4.45Å |
| 614 | E | 67.8 | Low | 70 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.3 | 169.3 | -70.5 | -174.1 | -169.2 | 0 | 0 | 109.3 | K603 V605 S641 | K603-E614 IonicContact NZ-OE2 3.33Å; V605-E614 HydrophobicContact CG2-CG 4.46Å; E614-S641 PolarHBondContact O-N 2.89Å; E614-S641 PolarHBondContact O-OG 3.25Å |
| 615 | G | 73.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C604 R639 | C604-G615 PolarHBondContact N-O 3.19Å; C604-G615 PolarHBondContact O-N 2.77Å; G615-R639 CarbonylContact C-O 3.51Å; G615-R639 WeakPolarHBondContact CA-O 3.44Å |
| 616 | L | 83.3 | Confident | 74.3 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.8 | 168.7 | -60.4 | 173.9 | 0 | 0 | 0 | 108.3 | L594 K603 L638 R639 | L594-L616 HydrophobicContact CD2-CD1 3.59Å; K603-L616 HydrophobicContact CG-CD2 4.12Å; L616-L638 CarbonylContact O-C 3.54Å; L616-L638 WeakPolarHBondContact O-CA 3.42Å; L616-R639 PolarHBondContact N-O 2.9Å; L616-R639 PolarHBondContact O-N 2.88Å |
| 617 | D | 86.8 | Confident | 76.4 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.7 | 170.5 | -164.2 | -28.8 | 0 | 0 | 0 | 109.9 | T601 G619 R636 L638 | T601-D617 WeakPolarHBondContact CG2-O 3.42Å; D617-G619 PolarHBondContact OD1-N 3.41Å; D617-R636 IonicContact OD1-NE 3.76Å; D617-R636 IonicContact OD2-CZ 3.14Å; D617-R636 IonicContact OD2-NE 2.8Å; D617-R636 PolarHBondContact OD2-NE 2.83Å; D617-R636 IonicContact OD2-NH2 2.75Å; D617-R636 PolarHBondContact OD2-NH2 3.05Å; D617-L638 HydrophobicContact CB-CD2 4.09Å |
| 618 | C | 89.8 | Confident | 78.5 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 14% | 0.142 | 32% | 0.318 | C | S | . | . | trans | -93.9 | 6.5 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 113.4 | V590 V622 L637 | V590-C618 HydrophobicContact CG1-CB 3.87Å; V590-C618 HydrophobicContact CG2-CB 4.43Å; C618-V622 HydrophobicContact CB-CG1 3.77Å; C618-V622 WeakPolarHBondContact O-CG1 3.42Å; C618-L637 HydrophobicContact CB-CB 4.08Å; C618-L637 HydrophobicContact CB-CD2 3.96Å; C618-L637 HydrophobicContact CB-CG 4.16Å; C618-L637 PolarHBondContact N-O 3.28Å | ||
| 619 | G | 89.6 | Confident | 80.7 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | trans | 100.7 | 166.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D617 R621 V622 A623 | D617-G619 PolarHBondContact OD1-N 3.41Å; G619-R621 VanDerWaalsContact C-N 3.34Å; G619-R621 PolarHBondContact O-N 3.24Å; G619-V622 VanDerWaalsContact O-CG1 3.28Å; G619-V622 WeakPolarHBondContact O-CG1 3.32Å; G619-V622 PolarHBondContact O-N 2.95Å; G619-A623 PolarHBondContact O-N 3.32Å | ||
| 620 | D | 91.4 | Very high | 82.9 | Confident | 111 Ų | 111 | 62.1 Ų | 62.1 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.2 | -30.1 | -169.4 | -65.9 | -31.3 | 0 | 0 | 0 | 113.8 | A623 Q624 R636 | D620-A623 WeakPolarHBondContact O-CB 3.07Å; D620-A623 PolarHBondContact O-N 2.98Å; D620-Q624 WeakPolarHBondContact O-CB 2.95Å; D620-Q624 PolarHBondContact O-N 3.4Å; D620-R636 IonicContact OD1-CZ 3.38Å; D620-R636 IonicContact OD1-NH1 2.7Å; D620-R636 PolarHBondContact OD1-NH1 2.81Å; D620-R636 IonicContact OD1-NH2 3.23Å; D620-R636 PolarHBondContact OD1-NH2 3.43Å |
| 621 | R | 94 | Very high | 85.1 | Confident | 200 Ų | 200 | 53.8 Ų | 53.8 | 76% | 0.755 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | -179.6 | -69.8 | -177.5 | 65.9 | -167.2 | -0.7 | 112.3 | G619 W625 | G619-R621 VanDerWaalsContact C-N 3.34Å; G619-R621 PolarHBondContact O-N 3.24Å; R621-W625 WeakPolarHBondContact O-CB 3.49Å; R621-W625 PolarHBondContact O-N 3.47Å; R621-W625 VanDerWaalsContact O-N 3.07Å |
| 622 | V | 93.9 | Very high | 87.1 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.9 | -32.7 | 177.4 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | L580 I588 V590 C618 G619 W625 L626 L637 | L580-V622 HydrophobicContact CD1-CG2 4.27Å; I588-V622 HydrophobicContact CG1-CB 4.43Å; I588-V622 HydrophobicContact CG2-CG2 4.17Å; V590-V622 HydrophobicContact CG2-CB 4.13Å; V590-V622 HydrophobicContact CG2-CG1 4.31Å; V590-V622 HydrophobicContact CG2-CG2 4.06Å; C618-V622 HydrophobicContact CB-CG1 3.77Å; C618-V622 WeakPolarHBondContact O-CG1 3.42Å; G619-V622 VanDerWaalsContact O-CG1 3.28Å; G619-V622 WeakPolarHBondContact O-CG1 3.32Å; G619-V622 PolarHBondContact O-N 2.95Å; V622-W625 PolarHBondContact O-N 3.38Å; V622-L626 HydrophobicContact CG2-CD1 4.24Å; V622-L626 HydrophobicContact CG2-CG 4.37Å; V622-L626 WeakPolarHBondContact O-CB 3.25Å; V622-L626 VanDerWaalsContact O-CG 3.23Å; V622-L626 WeakPolarHBondContact O-CG 3.49Å; V622-L626 PolarHBondContact O-N 3.39Å; V622-L637 HydrophobicContact CG1-CB 4.05Å; V622-L637 HydrophobicContact CG1-CD2 4.36Å; V622-L637 HydrophobicContact CG2-CB 4.24Å; V622-L637 HydrophobicContact CG2-CD2 3.83Å |
| 623 | A | 93.9 | Very high | 89 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G619 D620 L626 S627 L635 | G619-A623 PolarHBondContact O-N 3.32Å; D620-A623 WeakPolarHBondContact O-CB 3.07Å; D620-A623 PolarHBondContact O-N 2.98Å; A623-L626 PolarHBondContact O-N 3.07Å; A623-S627 WeakPolarHBondContact O-CB 3.28Å; A623-S627 PolarHBondContact O-N 3.35Å; A623-S627 PolarHBondContact O-OG 3.43Å; A623-L635 WeakPolarHBondContact CA-O 3.23Å; A623-L635 VanDerWaalsContact CB-O 3.23Å; A623-L635 WeakPolarHBondContact CB-O 3.07Å |
| 624 | Q | 95.1 | Very high | 90.5 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.7 | -47.8 | 175.8 | -177.9 | 175.3 | -2.2 | 0 | 0 | 110.9 | D620 L626 S627 E628 | D620-Q624 WeakPolarHBondContact O-CB 2.95Å; D620-Q624 PolarHBondContact O-N 3.4Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 3.24Å; Q624-S627 PolarHBondContact O-N 2.98Å; Q624-S627 VanDerWaalsContact O-N 3.11Å; Q624-E628 HydrophobicContact CG-CG 4.34Å; Q624-E628 VanDerWaalsContact CG-OE1 3.24Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.34Å; Q624-E628 PolarHBondContact NE2-OE1 3.37Å; Q624-E628 WeakPolarHBondContact O-CG 3.36Å; Q624-E628 PolarHBondContact O-N 2.91Å |
| 625 | W | 97.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 177.9 | -178 | 88.6 | 0 | 0 | 0 | 112.4 | I569 L580 F582 S586 I588 R621 V622 N629 | I569-W625 HydrophobicContact CD1-CZ3 4.48Å; I569-W625 HydrophobicContact CG2-CH2 4.32Å; I569-W625 HydrophobicContact CG2-CZ3 4.42Å; L580-W625 HydrophobicContact CB-CH2 3.94Å; L580-W625 HydrophobicContact CB-CZ3 3.94Å; L580-W625 HydrophobicContact CD1-CZ3 4.39Å; F582-W625 HydrophobicContact CB-CH2 3.78Å; F582-W625 HydrophobicContact CB-CZ2 3.74Å; S586-W625 PolarHBondContact OG-NE1 3.41Å; I588-W625 HydrophobicContact CB-CB 4.39Å; I588-W625 HydrophobicContact CB-CD2 3.94Å; I588-W625 HydrophobicContact CB-CG 3.85Å; I588-W625 HydrophobicContact CG1-CB 4.41Å; I588-W625 HydrophobicContact CG1-CG 4.39Å; I588-W625 HydrophobicContact CG2-CB 4.38Å; I588-W625 HydrophobicContact CG2-CD2 3.4Å; I588-W625 VanDerWaalsContact CG2-CD2 3.4Å; I588-W625 HydrophobicContact CG2-CE3 3.51Å; I588-W625 HydrophobicContact CG2-CG 3.8Å; I588-W625 HydrophobicContact CG2-CH2 4.36Å; I588-W625 HydrophobicContact CG2-CZ2 4.28Å; I588-W625 HydrophobicContact CG2-CZ3 4Å; R621-W625 WeakPolarHBondContact O-CB 3.49Å; R621-W625 PolarHBondContact O-N 3.47Å; R621-W625 VanDerWaalsContact O-N 3.07Å; V622-W625 PolarHBondContact O-N 3.38Å; W625-N629 VanDerWaalsContact CE2-ND2 3.33Å; W625-N629 PolarHBondContact NE1-ND2 3.4Å; W625-N629 WeakPolarHBondContact O-CB 3.46Å; W625-N629 PolarHBondContact O-N 2.85Å; W625-N629 PolarHBondContact O-ND2 3.43Å |
| 626 | L | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176 | -75.9 | 169.9 | 0 | 0 | 0 | 111.7 | I550 I569 V622 A623 Q624 L630 L635 L637 | I550-L626 HydrophobicContact CD1-CD1 4.38Å; I550-L626 HydrophobicContact CD1-CD2 3.66Å; I550-L626 HydrophobicContact CG1-CD1 3.96Å; I550-L626 HydrophobicContact CG1-CD2 4.17Å; I550-L626 HydrophobicContact CG2-CD1 4.2Å; I569-L626 HydrophobicContact CD1-CD2 3.88Å; V622-L626 HydrophobicContact CG2-CD1 4.24Å; V622-L626 HydrophobicContact CG2-CG 4.37Å; V622-L626 WeakPolarHBondContact O-CB 3.25Å; V622-L626 VanDerWaalsContact O-CG 3.23Å; V622-L626 WeakPolarHBondContact O-CG 3.49Å; V622-L626 PolarHBondContact O-N 3.39Å; A623-L626 PolarHBondContact O-N 3.07Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 3.24Å; L626-L630 HydrophobicContact CD2-CD1 4.45Å; L626-L630 VanDerWaalsContact O-CB 3.31Å; L626-L630 WeakPolarHBondContact O-CB 3.48Å; L626-L630 WeakPolarHBondContact O-CG 3.41Å; L626-L630 PolarHBondContact O-N 2.85Å; L626-L635 HydrophobicContact CB-CB 4.12Å; L626-L635 HydrophobicContact CB-CD1 4.2Å; L626-L637 HydrophobicContact CD1-CB 3.91Å |
| 627 | S | 95.7 | Very high | 93.3 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | -177.6 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | A623 Q624 G631 M632 L635 | A623-S627 WeakPolarHBondContact O-CB 3.28Å; A623-S627 PolarHBondContact O-N 3.35Å; A623-S627 PolarHBondContact O-OG 3.43Å; Q624-S627 PolarHBondContact O-N 2.98Å; Q624-S627 VanDerWaalsContact O-N 3.11Å; S627-G631 WeakPolarHBondContact O-CA 3.26Å; S627-G631 PolarHBondContact O-N 3.08Å; S627-M632 WeakPolarHBondContact CA-O 3.42Å; S627-M632 WeakPolarHBondContact CB-O 3.19Å; S627-M632 PolarHBondContact O-N 3.2Å; S627-M632 VanDerWaalsContact O-N 3.16Å; S627-M632 PolarHBondContact OG-O 2.82Å; S627-L635 PolarHBondContact OG-N 3.42Å |
| 628 | E | 94.8 | Very high | 93.4 | Very high | 122 Ų | 122 | 54 Ų | 54 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.7 | -48.5 | 177.1 | -72.1 | 172.5 | -178.3 | 0 | 0 | 112.2 | Q624 | Q624-E628 HydrophobicContact CG-CG 4.34Å; Q624-E628 VanDerWaalsContact CG-OE1 3.24Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.34Å; Q624-E628 PolarHBondContact NE2-OE1 3.37Å; Q624-E628 WeakPolarHBondContact O-CG 3.36Å; Q624-E628 PolarHBondContact O-N 2.91Å |
| 629 | N | 94.5 | Very high | 93.4 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.7 | -28.1 | -175.5 | -73.6 | -90.4 | 0 | 0 | 0 | 113.1 | F582 S586 W625 | F582-N629 HydrophobicContact CB-CB 4.42Å; F582-N629 HydrophobicContact CD1-CB 3.84Å; F582-N629 WeakPolarHBondContact CD1-OD1 3.33Å; F582-N629 HydrophobicContact CE1-CB 4.22Å; F582-N629 HydrophobicContact CG-CB 4.08Å; S586-N629 WeakPolarHBondContact CB-OD1 3.39Å; S586-N629 PolarHBondContact OG-ND2 3.49Å; S586-N629 PolarHBondContact OG-OD1 3.23Å; W625-N629 VanDerWaalsContact CE2-ND2 3.33Å; W625-N629 PolarHBondContact NE1-ND2 3.4Å; W625-N629 WeakPolarHBondContact O-CB 3.46Å; W625-N629 PolarHBondContact O-N 2.85Å; W625-N629 PolarHBondContact O-ND2 3.43Å |
| 630 | L | 93.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -97.3 | -5.3 | 178.5 | -62.9 | 175.3 | 0 | 0 | 0 | 113.7 | E565 L566 I569 F582 L626 M632 L635 | E565-L630 HydrophobicContact CB-CD2 3.82Å; L566-L630 HydrophobicContact CD2-CD1 3.71Å; I569-L630 HydrophobicContact CD1-CD1 3.96Å; I569-L630 HydrophobicContact CD1-CD2 4.01Å; I569-L630 HydrophobicContact CD1-CG 4.19Å; F582-L630 HydrophobicContact CE2-CD2 4.42Å; L626-L630 HydrophobicContact CD2-CD1 4.45Å; L626-L630 VanDerWaalsContact O-CB 3.31Å; L626-L630 WeakPolarHBondContact O-CB 3.48Å; L626-L630 WeakPolarHBondContact O-CG 3.41Å; L626-L630 PolarHBondContact O-N 2.85Å; L630-M632 VanDerWaalsContact C-N 3.27Å; L630-M632 PolarHBondContact O-N 2.75Å; L630-L635 HydrophobicContact CB-CD1 4.06Å; L630-L635 HydrophobicContact CD1-CD1 3.62Å; L630-L635 HydrophobicContact CG-CD1 4.42Å |
| 631 | G | 92.2 | Very high | 91.5 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 73% | 0.732 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 30.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S627 | S627-G631 WeakPolarHBondContact O-CA 3.26Å; S627-G631 PolarHBondContact O-N 3.08Å |
| 632 | M | 92.8 | Very high | 89.4 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | trans | -130.5 | 124.2 | -177.7 | -67.7 | 179.6 | 65.8 | 0 | 0 | 109.8 | L558 C563 S627 L630 L635 | L558-M632 HydrophobicContact CD2-CE 4.02Å; L558-M632 HydrophobicContact CD2-SD 3.97Å; C563-M632 HydrophobicContact CB-SD 4.28Å; S627-M632 WeakPolarHBondContact CA-O 3.42Å; S627-M632 WeakPolarHBondContact CB-O 3.19Å; S627-M632 PolarHBondContact O-N 3.2Å; S627-M632 VanDerWaalsContact O-N 3.16Å; S627-M632 PolarHBondContact OG-O 2.82Å; L630-M632 VanDerWaalsContact C-N 3.27Å; L630-M632 PolarHBondContact O-N 2.75Å; M632-L635 HydrophobicContact CB-CD1 3.97Å; M632-L635 HydrophobicContact CB-CD2 4.2Å; M632-L635 HydrophobicContact CB-CG 4.06Å; M632-L635 HydrophobicContact CE-CD2 4.3Å | ||
| 633 | E | 92.5 | Very high | 87 | Confident | 180 Ų | 180 | 50.9 Ų | 50.9 | 84% | 0.841 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 152 | 179.8 | -64.5 | -177.5 | 176.8 | 0 | 0 | 112.9 | L635 | E633-L635 PolarHBondContact O-N 3.2Š|
| 634 | G | 92 | Very high | 84.5 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 23.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D552 M553 | D552-G634 CarbonylContact C-O 3.53Å; M553-G634 PolarHBondContact N-O 3.09Å |
| 635 | L | 94.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -73.7 | 142 | 174.4 | -62 | -173.6 | 0 | 0 | 0 | 111.3 | I550 V551 D552 L558 A623 L626 S627 L630 M632 E633 | I550-L635 HydrophobicContact CG2-CB 4.29Å; I550-L635 HydrophobicContact CG2-CD1 4.32Å; I550-L635 HydrophobicContact CG2-CD2 4.39Å; V551-L635 WeakPolarHBondContact O-CA 3.41Å; D552-L635 HydrophobicContact CB-CD2 4.4Å; L558-L635 HydrophobicContact CD1-CD2 3.69Å; L558-L635 HydrophobicContact CD2-CD1 4.25Å; L558-L635 HydrophobicContact CD2-CD2 3.74Å; L558-L635 HydrophobicContact CG-CD2 4.37Å; A623-L635 WeakPolarHBondContact CA-O 3.23Å; A623-L635 VanDerWaalsContact CB-O 3.23Å; A623-L635 WeakPolarHBondContact CB-O 3.07Å; L626-L635 HydrophobicContact CB-CB 4.12Å; L626-L635 HydrophobicContact CB-CD1 4.2Å; S627-L635 PolarHBondContact OG-N 3.42Å; L630-L635 HydrophobicContact CB-CD1 4.06Å; L630-L635 HydrophobicContact CD1-CD1 3.62Å; L630-L635 HydrophobicContact CG-CD1 4.42Å; M632-L635 HydrophobicContact CB-CD1 3.97Å; M632-L635 HydrophobicContact CB-CD2 4.2Å; M632-L635 HydrophobicContact CB-CG 4.06Å; M632-L635 HydrophobicContact CE-CD2 4.3Å; E633-L635 PolarHBondContact O-N 3.2Å | ||
| 636 | R | 93.6 | Very high | 78.7 | Confident | 85 Ų | 85 | 57 Ų | 57 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.6 | 173.3 | -53.4 | -67.2 | -93.3 | -161.5 | -4.5 | 110.4 | I550 V551 D617 D620 L638 | I550-R636 CarbonylContact C-O 3.58Å; I550-R636 VanDerWaalsContact CA-O 3.32Å; I550-R636 WeakPolarHBondContact CA-O 3.45Å; V551-R636 HydrophobicContact CG2-CB 3.83Å; V551-R636 PolarHBondContact N-O 3.01Å; V551-R636 PolarHBondContact O-N 3.14Å; D617-R636 IonicContact OD1-NE 3.76Å; D617-R636 IonicContact OD2-CZ 3.14Å; D617-R636 IonicContact OD2-NE 2.8Å; D617-R636 PolarHBondContact OD2-NE 2.83Å; D617-R636 IonicContact OD2-NH2 2.75Å; D617-R636 PolarHBondContact OD2-NH2 3.05Å; D620-R636 IonicContact OD1-CZ 3.38Å; D620-R636 IonicContact OD1-NH1 2.7Å; D620-R636 PolarHBondContact OD1-NH1 2.81Å; D620-R636 IonicContact OD1-NH2 3.23Å; D620-R636 PolarHBondContact OD1-NH2 3.43Å; R636-L638 HydrophobicContact CB-CD2 4.42Å |
| 637 | L | 93.7 | Very high | 75.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.4 | 169.6 | -175.4 | 68.8 | 0 | 0 | 0 | 108.2 | V521 W548 I550 L580 V590 C618 V622 L626 | V521-L637 HydrophobicContact CG1-CD1 3.87Å; V521-L637 HydrophobicContact CG2-CD1 4.25Å; W548-L637 HydrophobicContact CB-CD1 4.02Å; I550-L637 HydrophobicContact CG1-CD1 3.89Å; L580-L637 HydrophobicContact CD1-CD2 4.19Å; V590-L637 HydrophobicContact CG2-CD2 4.13Å; C618-L637 HydrophobicContact CB-CB 4.08Å; C618-L637 HydrophobicContact CB-CD2 3.96Å; C618-L637 HydrophobicContact CB-CG 4.16Å; C618-L637 PolarHBondContact N-O 3.28Å; V622-L637 HydrophobicContact CG1-CB 4.05Å; V622-L637 HydrophobicContact CG1-CD2 4.36Å; V622-L637 HydrophobicContact CG2-CB 4.24Å; V622-L637 HydrophobicContact CG2-CD2 3.83Å; L626-L637 HydrophobicContact CD1-CB 3.91Å |
| 638 | L | 90.6 | Very high | 72.9 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.3 | 177.4 | -57.2 | -174 | 0 | 0 | 0 | 110 | W548 M549 V551 C604 L616 D617 R636 | W548-L638 CarbonylContact C-O 3.54Å; W548-L638 VanDerWaalsContact CA-O 3.28Å; W548-L638 WeakPolarHBondContact CA-O 3.43Å; M549-L638 HydrophobicContact CE-CB 4.33Å; M549-L638 HydrophobicContact CE-CD1 4.09Å; M549-L638 HydrophobicContact CG-CB 4.3Å; M549-L638 PolarHBondContact N-O 3.35Å; M549-L638 PolarHBondContact O-N 2.85Å; V551-L638 HydrophobicContact CB-CD1 4.5Å; V551-L638 HydrophobicContact CG1-CD1 3.85Å; V551-L638 HydrophobicContact CG1-CG 4.31Å; V551-L638 HydrophobicContact CG2-CD1 3.8Å; V551-L638 HydrophobicContact CG2-CG 3.92Å; C604-L638 HydrophobicContact CB-CD1 4.37Å; C604-L638 HydrophobicContact CB-CD2 4.35Å; L616-L638 CarbonylContact O-C 3.54Å; L616-L638 WeakPolarHBondContact O-CA 3.42Å; D617-L638 HydrophobicContact CB-CD2 4.09Å; R636-L638 HydrophobicContact CB-CD2 4.42Å |
| 639 | R | 88.5 | Confident | 70.3 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.1 | 168.2 | -169.1 | -177.3 | -176.5 | -179.6 | 4.4 | 110.4 | E547 W548 L592 G615 L616 S641 | E547-R639 CarbonylContact O-C 3.55Å; E547-R639 WeakPolarHBondContact O-CA 3.46Å; E547-R639 IonicContact OE2-CZ 3.98Å; E547-R639 IonicContact OE2-NE 2.99Å; E547-R639 PolarHBondContact OE2-NE 2.9Å; E547-R639 IonicContact OE2-NH2 3.62Å; E547-R639 PolarHBondContact OE2-NH2 3.02Å; W548-R639 HydrophobicContact CD2-CG 4.27Å; W548-R639 HydrophobicContact CG-CB 4.35Å; W548-R639 HydrophobicContact CG-CG 4.32Å; W548-R639 HydrophobicContact CZ2-CG 4.3Å; L592-R639 VanDerWaalsContact O-CZ 3.31Å; L592-R639 PolarHBondContact O-NH1 2.7Å; L592-R639 PolarHBondContact O-NH2 3.38Å; L592-R639 VanDerWaalsContact O-NH2 3.14Å; G615-R639 CarbonylContact C-O 3.51Å; G615-R639 WeakPolarHBondContact CA-O 3.44Å; L616-R639 PolarHBondContact N-O 2.9Å; L616-R639 PolarHBondContact O-N 2.88Å; R639-S641 PolarHBondContact O-N 3.12Å |
| 640 | Q | 77.3 | Confident | 67.7 | Low | 26 Ų | 26 | 77.5 Ų | 77.5 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.5 | 177.3 | -174 | 176.2 | -0.5 | 0 | 0 | 111.4 | E547 V613 S654 | E547-Q640 PolarHBondContact O-N 3.35Å; V613-Q640 HydrophobicContact CG1-CG 4.18Å; Q640-S654 PolarHBondContact OE1-OG 3.13Å |
| 641 | S | 64 | Low | 65.4 | Low | 31 Ų | 31 | 81.6 Ų | 81.6 | 22% | 0.217 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 126.3 | 169.3 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | E614 R639 Q643 | E614-S641 PolarHBondContact O-N 2.89Å; E614-S641 PolarHBondContact O-OG 3.25Å; R639-S641 PolarHBondContact O-N 3.12Å; S641-Q643 VanDerWaalsContact C-N 3.34Å; S641-Q643 PolarHBondContact O-N 2.89Å |
| 642 | G | 51.2 | Low | 63.3 | Low | 76 Ų | 76 | 83.8 Ų | 83.8 | 78% | 0.784 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -68.3 | 30.7 | -153.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 643 | Q | 43 | Very low | 61.1 | Low | 148 Ų | 148 | 83.3 Ų | 83.3 | 69% | 0.692 | 44% | 0.436 | S | S | * | . | trans | -140.4 | 103.5 | 170 | -67.6 | -158.9 | -6.5 | 0 | 0 | 113.6 | S641 N645 | S641-Q643 VanDerWaalsContact C-N 3.34Å; S641-Q643 PolarHBondContact O-N 2.89Å; Q643-N645 PolarHBondContact O-N 3Å | ||
| 644 | R | 41.3 | Very low | 59.2 | Low | 82 Ų | 82 | 75.2 Ų | 75.2 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | trans | -69.6 | 113.4 | 149.2 | -94.3 | 177.8 | 167.5 | 166 | -10.6 | 107 | S646 L653 S654 | R644-S646 PolarHBondContact O-N 3.32Å; R644-L653 WeakPolarHBondContact CD-O 3.4Å; R644-L653 PolarHBondContact NH1-O 2.8Å; R644-S654 PolarHBondContact NH1-O 3.08Å | ||
| 645 | N | 32.5 | Very low | 57.1 | Low | 153 Ų | 153 | 73.7 Ų | 73.7 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | trans | -69.8 | 69.3 | 160.2 | -78.8 | -20.4 | 0 | 0 | 0 | 108.7 | Q643 | Q643-N645 PolarHBondContact O-N 3Š| ||
| 646 | S | 36.9 | Very low | 55 | Low | 40 Ų | 40 | 74.3 Ų | 74.3 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | trans | -87.5 | 122.9 | 163.4 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | R644 Q650 | R644-S646 PolarHBondContact O-N 3.32Å; S646-Q650 PolarHBondContact OG-O 3.46Å; S646-Q650 VanDerWaalsContact OG-O 3.11Å | ||
| 647 | S | 33.2 | Very low | 53.1 | Low | 95 Ų | 95 | 75.6 Ų | 75.6 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | trans | -36.4 | 140.3 | 172.3 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | D649 Q650 | S647-D649 PolarHBondContact O-N 2.89Å; S647-Q650 PolarHBondContact O-N 3.32Å; S647-Q650 VanDerWaalsContact O-N 3.09Å | ||
| 648 | K | 38.7 | Very low | 51.4 | Low | 215 Ų | 215 | 80.9 Ų | 80.9 | 94% | 0.935 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36 | -8.9 | -167.8 | -82.2 | -176.9 | 172.7 | -178.6 | 0 | 120.6 | ||
| 649 | D | 39.7 | Very low | 50.3 | Low | 162 Ų | 162 | 80.8 Ų | 80.8 | 87% | 0.866 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -2 | -178.2 | -65.3 | -36 | 0 | 0 | 0 | 115 | S647 | S647-D649 PolarHBondContact O-N 2.89Š|
| 650 | Q | 40.7 | Very low | 50 | Low | 140 Ų | 140 | 80.9 Ų | 80.9 | 65% | 0.654 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -104.9 | 105.8 | 170.6 | -74.1 | -174.6 | -7.3 | 0 | 0 | 109.5 | S646 S647 K652 | S646-Q650 PolarHBondContact OG-O 3.46Å; S646-Q650 VanDerWaalsContact OG-O 3.11Å; S647-Q650 PolarHBondContact O-N 3.32Å; S647-Q650 VanDerWaalsContact O-N 3.09Å; Q650-K652 PolarHBondContact O-N 2.68Å |
| 651 | Q | 45.5 | Very low | 50.7 | Low | 108 Ų | 108 | 79.7 Ų | 79.7 | 51% | 0.505 | 42% | 0.42 | S | S | . | . | trans | -37.7 | 128.2 | 173 | -74 | 171.6 | -7.1 | 0 | 0 | 110.3 | L653 | Q651-L653 PolarHBondContact O-N 2.91Š| ||
| 652 | K | 47.5 | Very low | 52.2 | Low | 117 Ų | 117 | 78.8 Ų | 78.8 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | trans | -55.3 | 109.2 | 176.5 | -64.7 | 173.4 | -176.2 | 173.6 | 0 | 107.1 | Q540 Q650 | Q540-K652 PolarHBondContact NE2-O 2.8Å; Q540-K652 PolarHBondContact OE1-O 3.27Å; Q650-K652 PolarHBondContact O-N 2.68Å | ||
| 653 | L | 45.2 | Very low | 54.3 | Low | 36 Ų | 36 | 75.2 Ų | 75.2 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | trans | -115.4 | 126.7 | 175.2 | -72.3 | 164.7 | 0 | 0 | 0 | 107.6 | Q540 R644 Q651 Q660 | Q540-L653 VanDerWaalsContact OE1-C 3.23Å; R644-L653 WeakPolarHBondContact CD-O 3.4Å; R644-L653 PolarHBondContact NH1-O 2.8Å; Q651-L653 PolarHBondContact O-N 2.91Å; L653-Q660 HydrophobicContact CD2-CG 4.38Å | ||
| 654 | S | 53 | Low | 56.8 | Low | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | trans | -58.7 | -160.5 | 169.6 | 179.2 | 0 | 0 | 0 | 0 | 111 | R546 Q640 R644 V656 | R546-S654 PolarHBondContact O-OG 2.91Å; Q640-S654 PolarHBondContact OE1-OG 3.13Å; R644-S654 PolarHBondContact NH1-O 3.08Å; S654-V656 PolarHBondContact O-N 3.21Å | ||
| 655 | L | 48.4 | Very low | 59.3 | Low | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -58 | 16.3 | 173.9 | -72.7 | 169.8 | 0 | 0 | 0 | 115.4 | K522 M549 V608 V613 | K522-L655 HydrophobicContact CD-CB 4.13Å; K522-L655 HydrophobicContact CD-CD1 4.34Å; K522-L655 PolarHBondContact NZ-O 2.71Å; M549-L655 HydrophobicContact CB-CD1 3.92Å; M549-L655 HydrophobicContact CG-CD1 3.98Å; M549-L655 HydrophobicContact SD-CD1 3.8Å; M549-L655 HydrophobicContact SD-CD2 3.87Å; V608-L655 HydrophobicContact CB-CD2 4.44Å; V608-L655 HydrophobicContact CG1-CD2 4.2Å; V608-L655 HydrophobicContact CG2-CD2 4.01Å; V613-L655 HydrophobicContact CG1-CD2 4.43Å; V613-L655 HydrophobicContact CG2-CD2 4.45Å |
| 656 | V | 51.5 | Low | 62.1 | Low | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -87 | 141.8 | 176.3 | -148.9 | 0 | 0 | 0 | 0 | 110.6 | S654 A659 | S654-V656 PolarHBondContact O-N 3.21Å; V656-A659 WeakPolarHBondContact CG1-O 3.43Å | ||
| 657 | N | 53.8 | Low | 64.5 | Low | 111 Ų | 111 | 56.7 Ų | 56.7 | 59% | 0.594 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -90.9 | -23.3 | -170.4 | -73.8 | -16.3 | 0 | 0 | 0 | 114.3 | ||
| 658 | Q | 57.2 | Low | 67.2 | Low | 111 Ų | 111 | 52.2 Ų | 52.2 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -144.4 | -36.1 | -165.5 | -68.3 | -174.5 | -49.7 | 0 | 0 | 116.4 | Y754 | Q658-Y754 HydrophobicContact CB-CD2 4.22Å; Q658-Y754 HydrophobicContact CB-CE1 4.25Å; Q658-Y754 HydrophobicContact CB-CE2 3.8Å; Q658-Y754 HydrophobicContact CG-CE2 4.35Å; Q658-Y754 PolarHBondContact OE1-OH 3.18Å |
| 659 | A | 67.8 | Low | 69.8 | Low | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | trans | -158.2 | 172 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | V656 E715 Y754 | V656-A659 WeakPolarHBondContact CG1-O 3.43Å; A659-E715 HydrophobicContact CB-CG 4.34Å; A659-Y754 HydrophobicContact CB-CD1 3.85Å; A659-Y754 HydrophobicContact CB-CG 3.91Å | ||
| 660 | Q | 80.9 | Confident | 72 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -68.4 | -40.6 | 179.9 | -70.5 | 176.4 | -19 | 0 | 0 | 113 | D539 L653 T756 | D539-Q660 PolarHBondContact O-NE2 2.96Å; L653-Q660 HydrophobicContact CD2-CG 4.38Å; Q660-T756 HydrophobicContact CG-CG2 4.26Å |
| 661 | F | 92.9 | Very high | 74.1 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 144.2 | -177.9 | -46.6 | -95.8 | 0 | 0 | 0 | 111.4 | L537 G541 L542 N688 I689 F712 I755 R757 | L537-F661 HydrophobicContact CD2-CE1 3.95Å; L537-F661 HydrophobicContact CD2-CZ 3.89Å; G541-F661 VanDerWaalsContact CA-CZ 3.44Å; L542-F661 HydrophobicContact CD2-CE1 4.37Å; L542-F661 HydrophobicContact CG-CD1 4.29Å; L542-F661 HydrophobicContact CG-CE1 3.92Å; F661-N688 HydrophobicContact CB-CB 4.43Å; F661-N688 HydrophobicContact CD1-CB 4.48Å; F661-I689 HydrophobicContact CB-CD1 3.81Å; F661-I689 HydrophobicContact CD1-CD1 3.81Å; F661-I689 HydrophobicContact CD1-CG1 4.4Å; F661-I689 HydrophobicContact CG-CD1 3.88Å; F661-F712 HydrophobicContact CD2-CD1 4.27Å; F661-F712 AromaticContact CD2-CE1 3.87Å; F661-F712 HydrophobicContact CD2-CE1 3.87Å; F661-F712 HydrophobicContact CE2-CD1 4.33Å; F661-F712 AromaticContact CE2-CE1 3.67Å; F661-F712 HydrophobicContact CE2-CE1 3.67Å; F661-F712 HydrophobicContact CZ-CE1 4.2Å; F661-I755 HydrophobicContact CB-CD1 4.46Å; F661-I755 HydrophobicContact CB-CG1 3.79Å; F661-I755 HydrophobicContact CD2-CG1 4.39Å; F661-I755 HydrophobicContact CG-CG1 4.48Å; F661-I755 PolarHBondContact N-O 3.46Å; F661-I755 VanDerWaalsContact N-O 3.09Å; F661-I755 PolarHBondContact O-N 2.93Å; F661-R757 HydrophobicContact CE2-CB 4.24Å |
| 662 | L | 94.9 | Very high | 76 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.9 | 164.2 | 176.2 | 61.4 | 0 | 0 | 0 | 109.1 | F685 A687 N688 I689 C718 R720 Y754 | L662-F685 WeakPolarHBondContact CD2-O 3.33Å; L662-A687 HydrophobicContact CD2-CB 4.24Å; L662-A687 HydrophobicContact CG-CB 4.08Å; L662-N688 PolarHBondContact N-OD1 2.95Å; L662-N688 VanDerWaalsContact N-OD1 3.13Å; L662-N688 PolarHBondContact O-N 3.05Å; L662-I689 PolarHBondContact O-N 2.99Å; L662-I689 VanDerWaalsContact O-N 3.09Å; L662-C718 HydrophobicContact CD1-CB 3.63Å; L662-R720 VanDerWaalsContact CD2-NH1 3.33Å; L662-Y754 HydrophobicContact CD1-CD1 4.22Å; L662-Y754 HydrophobicContact CD1-CE1 4.16Å |
| 663 | L | 96.5 | Very high | 77.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.7 | 174.2 | -178.7 | 154.3 | 0 | 0 | 0 | 110.5 | I689 I691 E699 L705 G752 I753 I755 | L663-I689 CarbonylContact C-O 3.51Å; L663-I689 WeakPolarHBondContact CA-O 3.36Å; L663-I689 HydrophobicContact CB-CB 4.37Å; L663-I689 HydrophobicContact CB-CG2 4.45Å; L663-I689 HydrophobicContact CD1-CG2 3.95Å; L663-I689 HydrophobicContact CG-CB 4.48Å; L663-I689 HydrophobicContact CG-CG2 4.06Å; L663-I691 HydrophobicContact CD1-CD1 4.22Å; L663-I691 HydrophobicContact CD1-CG2 4.38Å; L663-I691 HydrophobicContact CD2-CD1 3.81Å; L663-I691 HydrophobicContact CD2-CG1 4.03Å; L663-I691 HydrophobicContact CG-CD1 4.41Å; L663-I691 HydrophobicContact CG-CG1 4.47Å; L663-E699 HydrophobicContact CD2-CB 4.14Å; L663-L705 HydrophobicContact CD1-CD1 3.59Å; L663-G752 WeakPolarHBondContact O-CA 3.42Å; L663-I753 HydrophobicContact CB-CG1 3.96Å; L663-I753 HydrophobicContact CD2-CD1 4.06Å; L663-I753 HydrophobicContact CD2-CG1 3.87Å; L663-I753 HydrophobicContact CG-CG1 4.44Å; L663-I753 PolarHBondContact N-O 2.92Å; L663-I753 PolarHBondContact O-N 3.33Å; L663-I755 HydrophobicContact CB-CD1 4.07Å; L663-I755 HydrophobicContact CB-CG1 4.44Å; L663-I755 HydrophobicContact CB-CG2 4.39Å; L663-I755 HydrophobicContact CD1-CD1 3.89Å |
| 664 | L | 95.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133 | 177.8 | -164.2 | 74.2 | 0 | 0 | 0 | 110.4 | V669 V682 F685 A687 I689 I690 I691 F751 | L664-V669 HydrophobicContact CD1-CG2 4.21Å; L664-V669 HydrophobicContact CD2-CG2 3.61Å; L664-V669 HydrophobicContact CG-CG2 3.87Å; L664-V682 HydrophobicContact CD2-CG1 4.04Å; L664-F685 HydrophobicContact CD1-CB 3.88Å; L664-F685 HydrophobicContact CD1-CD1 4.36Å; L664-F685 HydrophobicContact CD1-CD2 4.49Å; L664-F685 HydrophobicContact CD1-CG 3.98Å; L664-F685 HydrophobicContact CD2-CB 3.71Å; L664-F685 HydrophobicContact CD2-CD2 4.1Å; L664-F685 HydrophobicContact CD2-CG 4.11Å; L664-F685 HydrophobicContact CG-CB 4.46Å; L664-A687 HydrophobicContact CB-CB 3.46Å; L664-A687 VanDerWaalsContact CB-CB 3.46Å; L664-A687 HydrophobicContact CD2-CB 4.09Å; L664-A687 HydrophobicContact CG-CB 4.31Å; L664-I689 PolarHBondContact N-O 3.48Å; L664-I690 WeakPolarHBondContact O-CA 3.2Å; L664-I691 PolarHBondContact O-N 2.94Å; L664-F751 HydrophobicContact CD1-CD1 3.48Å; L664-F751 VanDerWaalsContact CD1-CD1 3.48Å; L664-F751 HydrophobicContact CD1-CE1 3.5Å; L664-F751 HydrophobicContact CG-CE1 4.46Å |
| 665 | N | 93.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.1 | 170.3 | -177.4 | 3.7 | 0 | 0 | 0 | 109.5 | S667 S668 V669 I691 T693 S695 E699 | N665-S667 PolarHBondContact O-N 3.15Å; N665-S667 WeakPolarHBondContact OD1-CB 3.38Å; N665-S667 PolarHBondContact OD1-N 2.97Å; N665-S667 VanDerWaalsContact OD1-N 3.1Å; N665-S668 VanDerWaalsContact O-CB 3.31Å; N665-S668 WeakPolarHBondContact O-CB 3.14Å; N665-S668 PolarHBondContact O-N 3.48Å; N665-V669 PolarHBondContact O-N 3.4Å; N665-I691 CarbonylContact C-O 3.57Å; N665-I691 WeakPolarHBondContact CA-O 3.41Å; N665-I691 HydrophobicContact CB-CG1 4.36Å; N665-T693 PolarHBondContact ND2-OG1 3.03Å; N665-T693 PolarHBondContact OD1-N 3.1Å; N665-S695 PolarHBondContact ND2-O 2.99Å; N665-E699 HydrophobicContact CB-CB 4.38Å; N665-E699 HydrophobicContact CB-CG 4.13Å; N665-E699 WeakPolarHBondContact CB-OE2 3.46Å; N665-E699 PolarHBondContact ND2-OE2 2.81Å |
| 666 | K | 92.2 | Very high | 82.5 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -33.3 | 178.2 | -167.2 | 174.6 | -173.7 | 175.8 | 0 | 111.3 | D448 L514 S668 V669 R670 L678 D679 V682 I690 I691 D692 | D448-K666 IonicContact OD1-NZ 3.24Å; L514-K666 HydrophobicContact CD1-CD 4.07Å; K666-S668 VanDerWaalsContact C-N 3.33Å; K666-S668 PolarHBondContact O-N 3.23Å; K666-V669 PolarHBondContact O-N 3.38Å; K666-R670 WeakPolarHBondContact O-CB 3.35Å; K666-R670 PolarHBondContact O-N 3.31Å; K666-L678 HydrophobicContact CD-CD2 4.34Å; K666-L678 HydrophobicContact CG-CD2 4.01Å; K666-L678 HydrophobicContact CG-CG 4.34Å; K666-D679 WeakPolarHBondContact CE-OD1 3.3Å; K666-D679 IonicContact NZ-OD1 2.97Å; K666-D679 PolarHBondContact NZ-OD1 3.34Å; K666-V682 HydrophobicContact CG-CG2 4.21Å; K666-I690 HydrophobicContact CB-CG2 4.35Å; K666-I691 WeakPolarHBondContact CB-O 3.19Å; K666-I691 PolarHBondContact N-O 3.45Å; K666-D692 HydrophobicContact CB-CB 4.02Å |
| 667 | S | 86.7 | Confident | 84.1 | Confident | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -37 | 172.3 | -82.4 | 0 | 0 | 0 | 0 | 113.6 | N665 R670 S671 D692 G694 | N665-S667 PolarHBondContact O-N 3.15Å; N665-S667 WeakPolarHBondContact OD1-CB 3.38Å; N665-S667 PolarHBondContact OD1-N 2.97Å; N665-S667 VanDerWaalsContact OD1-N 3.1Å; S667-R670 PolarHBondContact OG-NH1 3.46Å; S667-S671 PolarHBondContact O-N 3.1Å; S667-D692 WeakPolarHBondContact CB-OD1 3.16Å; S667-D692 PolarHBondContact OG-OD1 2.92Å; S667-G694 VanDerWaalsContact OG-CA 3.23Å; S667-G694 WeakPolarHBondContact OG-CA 3.49Å; S667-G694 PolarHBondContact OG-N 2.86Å |
| 668 | S | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 173.7 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | N665 K666 R670 S671 F697 E699 F751 | N665-S668 VanDerWaalsContact O-CB 3.31Å; N665-S668 WeakPolarHBondContact O-CB 3.14Å; N665-S668 PolarHBondContact O-N 3.48Å; K666-S668 VanDerWaalsContact C-N 3.33Å; K666-S668 PolarHBondContact O-N 3.23Å; S668-R670 VanDerWaalsContact C-N 3.32Å; S668-R670 PolarHBondContact O-N 2.76Å; S668-S671 WeakPolarHBondContact O-CB 3.47Å; S668-S671 PolarHBondContact O-N 2.72Å; S668-S671 PolarHBondContact O-OG 2.8Å; S668-F697 WeakPolarHBondContact OG-CA 3.22Å; S668-F697 PolarHBondContact OG-N 3.47Å; S668-E699 WeakPolarHBondContact CB-OE1 3.49Å; S668-E699 PolarHBondContact OG-OE1 3.31Å; S668-E699 PolarHBondContact OG-OE2 3.02Å; S668-F751 VanDerWaalsContact C-CZ 3.5Å |
| 669 | V | 91.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | -179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | L664 N665 K666 S671 L672 L678 T681 V682 F685 F751 | L664-V669 HydrophobicContact CD1-CG2 4.21Å; L664-V669 HydrophobicContact CD2-CG2 3.61Å; L664-V669 HydrophobicContact CG-CG2 3.87Å; N665-V669 PolarHBondContact O-N 3.4Å; K666-V669 PolarHBondContact O-N 3.38Å; V669-S671 PolarHBondContact O-N 3.28Å; V669-L672 WeakPolarHBondContact O-CB 3.48Å; V669-L672 WeakPolarHBondContact O-CG 3.26Å; V669-L672 PolarHBondContact O-N 2.84Å; V669-L678 HydrophobicContact CB-CD1 4.1Å; V669-L678 HydrophobicContact CG1-CD1 3.73Å; V669-T681 HydrophobicContact CG1-CG2 3.49Å; V669-T681 VanDerWaalsContact CG1-CG2 3.49Å; V669-V682 HydrophobicContact CB-CG2 4.18Å; V669-V682 HydrophobicContact CG1-CG2 4.01Å; V669-V682 HydrophobicContact CG2-CG2 4.1Å; V669-F685 HydrophobicContact CB-CE2 4.5Å; V669-F685 HydrophobicContact CG1-CD2 4.38Å; V669-F685 HydrophobicContact CG1-CE2 3.9Å; V669-F685 HydrophobicContact CG2-CD2 3.95Å; V669-F685 HydrophobicContact CG2-CE2 3.96Å; V669-F751 HydrophobicContact CG2-CE1 3.72Å; V669-F751 HydrophobicContact CG2-CZ 4.12Å |
| 670 | R | 86.5 | Confident | 88.2 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -36.6 | 177.7 | -170.6 | -176.2 | -61.9 | 119 | 2.5 | 113.3 | D448 K666 S667 S668 L672 Q673 L678 D692 | D448-R670 VanDerWaalsContact C-CD 3.45Å; D448-R670 VanDerWaalsContact CA-CZ 3.44Å; D448-R670 VanDerWaalsContact CA-NE 3.29Å; D448-R670 WeakPolarHBondContact O-CD 3.48Å; D448-R670 PolarHBondContact O-NE 3.05Å; D448-R670 IonicContact OD1-CZ 2.86Å; D448-R670 IonicContact OD1-NE 2.92Å; D448-R670 IonicContact OD1-NH2 2.81Å; D448-R670 PolarHBondContact OD1-NH2 3.43Å; D448-R670 VanDerWaalsContact OD1-NH2 3.11Å; K666-R670 WeakPolarHBondContact O-CB 3.35Å; K666-R670 PolarHBondContact O-N 3.31Å; S667-R670 PolarHBondContact OG-NH1 3.46Å; S668-R670 VanDerWaalsContact C-N 3.32Å; S668-R670 PolarHBondContact O-N 2.76Å; R670-L672 PolarHBondContact O-N 3.17Å; R670-L672 VanDerWaalsContact O-N 3.12Å; R670-Q673 PolarHBondContact O-N 2.91Å; R670-Q673 VanDerWaalsContact O-N 3.13Å; R670-L678 HydrophobicContact CB-CD1 3.98Å; R670-L678 HydrophobicContact CB-CD2 4.05Å; R670-L678 HydrophobicContact CG-CD2 4.15Å; R670-D692 IonicContact CZ-OD2 3.02Å; R670-D692 IonicContact NH1-OD1 3.93Å; R670-D692 IonicContact NH1-OD2 2.72Å; R670-D692 PolarHBondContact NH1-OD2 3.37Å; R670-D692 IonicContact NH2-OD2 2.82Å; R670-D692 PolarHBondContact NH2-OD2 2.92Å |
| 671 | S | 84.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14 | 177.1 | 78.7 | 0 | 0 | 0 | 0 | 114.1 | S667 S668 V669 Q673 F697 | S667-S671 PolarHBondContact O-N 3.1Å; S668-S671 WeakPolarHBondContact O-CB 3.47Å; S668-S671 PolarHBondContact O-N 2.72Å; S668-S671 PolarHBondContact O-OG 2.8Å; V669-S671 PolarHBondContact O-N 3.28Å; S671-Q673 VanDerWaalsContact C-N 3.32Å; S671-F697 WeakPolarHBondContact OG-CE2 3.43Å; S671-F697 WeakPolarHBondContact OG-CZ 3.33Å |
| 672 | L | 86 | Confident | 88.7 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -19.5 | 176.7 | -54.7 | 177.3 | 0 | 0 | 0 | 112.9 | V669 R670 F674 F685 T740 I741 L744 F751 | V669-L672 WeakPolarHBondContact O-CB 3.48Å; V669-L672 WeakPolarHBondContact O-CG 3.26Å; V669-L672 PolarHBondContact O-N 2.84Å; R670-L672 PolarHBondContact O-N 3.17Å; R670-L672 VanDerWaalsContact O-N 3.12Å; L672-F674 HydrophobicContact CB-CD2 3.74Å; L672-F674 HydrophobicContact CB-CE2 3.31Å; L672-F674 HydrophobicContact CB-CZ 4.04Å; L672-F674 HydrophobicContact CD1-CE2 3.61Å; L672-F674 HydrophobicContact CD1-CZ 4.37Å; L672-F674 HydrophobicContact CG-CE2 4.07Å; L672-F674 PolarHBondContact O-N 2.98Å; L672-F685 HydrophobicContact CD1-CE1 4.49Å; L672-F685 HydrophobicContact CD1-CE2 4.01Å; L672-F685 HydrophobicContact CD1-CZ 3.46Å; L672-F685 VanDerWaalsContact CD1-CZ 3.46Å; L672-T740 HydrophobicContact CB-CG2 4.35Å; L672-T740 HydrophobicContact CD2-CG2 4.35Å; L672-I741 HydrophobicContact CD1-CG1 4.21Å; L672-I741 HydrophobicContact CD2-CG1 4.08Å; L672-L744 HydrophobicContact CD2-CD1 3.46Å; L672-L744 VanDerWaalsContact CD2-CD1 3.46Å; L672-F751 HydrophobicContact CD1-CD2 4.47Å; L672-F751 HydrophobicContact CD1-CE2 3.71Å; L672-F751 HydrophobicContact CD1-CZ 3.73Å; L672-F751 HydrophobicContact CD2-CE2 3.81Å; L672-F751 HydrophobicContact CD2-CZ 4.47Å; L672-F751 HydrophobicContact CG-CE2 4.02Å; L672-F751 HydrophobicContact CG-CZ 4.19Å |
| 673 | Q | 82.8 | Confident | 88.6 | Confident | 174 Ų | 174 | 39.4 Ų | 39.4 | 81% | 0.813 | 20% | 0.198 | S | C | * | . | trans | 54.6 | 48.1 | 173.5 | -59 | -179.2 | -33.5 | 0 | 0 | 114.6 | R670 S671 | R670-Q673 PolarHBondContact O-N 2.91Å; R670-Q673 VanDerWaalsContact O-N 3.13Å; S671-Q673 VanDerWaalsContact C-N 3.32Å | ||
| 674 | F | 84 | Confident | 88.5 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | trans | -74.2 | 155 | 170.2 | -63.1 | -74.7 | 0 | 0 | 0 | 111.4 | L672 E676 T681 E736 T737 T740 | L672-F674 HydrophobicContact CB-CD2 3.74Å; L672-F674 HydrophobicContact CB-CE2 3.31Å; L672-F674 HydrophobicContact CB-CZ 4.04Å; L672-F674 HydrophobicContact CD1-CE2 3.61Å; L672-F674 HydrophobicContact CD1-CZ 4.37Å; L672-F674 HydrophobicContact CG-CE2 4.07Å; L672-F674 PolarHBondContact O-N 2.98Å; F674-E676 HydrophobicContact CB-CG 4.32Å; F674-T681 HydrophobicContact CD2-CG2 3.3Å; F674-T681 HydrophobicContact CE2-CG2 3.74Å; F674-T681 HydrophobicContact CG-CG2 4.22Å; F674-E736 HydrophobicContact CE1-CG 4.15Å; F674-T737 HydrophobicContact CE2-CG2 4.1Å; F674-T737 HydrophobicContact CZ-CG2 3.79Å; F674-T740 HydrophobicContact CE1-CG2 4.42Å; F674-T740 HydrophobicContact CZ-CG2 4.07Å | ||
| 675 | E | 79.9 | Confident | 88.4 | Confident | 203 Ų | 203 | 40.3 Ų | 40.3 | 95% | 0.949 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -73.3 | -26.2 | 179.6 | -63.5 | -175.3 | 167.2 | 0 | 0 | 113.2 | ||
| 676 | E | 83.7 | Confident | 88.4 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -72.9 | 159.1 | 179.2 | 75.3 | -170.2 | 170 | 0 | 0 | 111.9 | F674 L678 E680 T681 R684 N727 | F674-E676 HydrophobicContact CB-CG 4.32Å; E676-L678 PolarHBondContact O-N 3.16Å; E676-E680 HydrophobicContact CG-CB 4.39Å; E676-T681 WeakPolarHBondContact CG-OG1 3.5Å; E676-T681 VanDerWaalsContact OE1-CA 3.27Å; E676-T681 WeakPolarHBondContact OE1-CA 3.16Å; E676-T681 WeakPolarHBondContact OE1-CB 3.44Å; E676-T681 PolarHBondContact OE1-OG1 3.23Å; E676-R684 WeakPolarHBondContact OE1-CD 3.15Å; E676-R684 IonicContact OE1-CZ 3.92Å; E676-R684 IonicContact OE1-NE 3.47Å; E676-R684 PolarHBondContact OE1-NE 2.88Å; E676-R684 IonicContact OE1-NH2 2.65Å; E676-R684 IonicContact OE2-CZ 3.35Å; E676-R684 IonicContact OE2-NE 2.77Å; E676-R684 PolarHBondContact OE2-NE 3.45Å; E676-R684 IonicContact OE2-NH2 2.83Å; E676-R684 PolarHBondContact OE2-NH2 2.98Å; E676-N727 PolarHBondContact OE2-ND2 2.68Å |
| 677 | P | 85.3 | Confident | 88.5 | Confident | 79 Ų | 79 | 40.1 Ų | 40.1 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | trans | -56.9 | 138.9 | 178.1 | -23 | 32.9 | 0 | 0 | 0 | 112.4 | D679 E680 T681 | P677-D679 VanDerWaalsContact C-N 3.27Å; P677-D679 PolarHBondContact O-N 3.19Å; P677-D679 VanDerWaalsContact O-N 3.11Å; P677-E680 HydrophobicContact CB-CG 4.13Å; P677-E680 HydrophobicContact CG-CG 4.34Å; P677-E680 WeakPolarHBondContact O-CA 3.36Å; P677-E680 VanDerWaalsContact O-CB 3.32Å; P677-E680 WeakPolarHBondContact O-CB 3.47Å; P677-E680 PolarHBondContact O-N 2.92Å; P677-T681 PolarHBondContact O-N 3.24Å | ||
| 678 | L | 86.8 | Confident | 89 | Confident | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.5 | -38.9 | -171.8 | 179.7 | 57.7 | 0 | 0 | 0 | 113.8 | D448 K666 V669 R670 E676 E680 T681 V682 | D448-L678 HydrophobicContact CB-CD2 4.32Å; D448-L678 WeakPolarHBondContact OD1-CD2 3.31Å; K666-L678 HydrophobicContact CD-CD2 4.34Å; K666-L678 HydrophobicContact CG-CD2 4.01Å; K666-L678 HydrophobicContact CG-CG 4.34Å; V669-L678 HydrophobicContact CB-CD1 4.1Å; V669-L678 HydrophobicContact CG1-CD1 3.73Å; R670-L678 HydrophobicContact CB-CD1 3.98Å; R670-L678 HydrophobicContact CB-CD2 4.05Å; R670-L678 HydrophobicContact CG-CD2 4.15Å; E676-L678 PolarHBondContact O-N 3.16Å; L678-E680 VanDerWaalsContact C-N 3.26Å; L678-E680 PolarHBondContact O-N 3.27Å; L678-T681 PolarHBondContact O-N 2.98Å; L678-V682 VanDerWaalsContact O-CG2 3.31Å; L678-V682 WeakPolarHBondContact O-CG2 3.46Å; L678-V682 PolarHBondContact O-N 3.25Å |
| 679 | D | 88.7 | Confident | 89.3 | Confident | 80 Ų | 80 | 40 Ų | 40 | 43% | 0.428 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -26.7 | 178.9 | -66.7 | -29.6 | 0 | 0 | 0 | 112.7 | K666 P677 D683 | K666-D679 WeakPolarHBondContact CE-OD1 3.3Å; K666-D679 IonicContact NZ-OD1 2.97Å; K666-D679 PolarHBondContact NZ-OD1 3.34Å; P677-D679 VanDerWaalsContact C-N 3.27Å; P677-D679 PolarHBondContact O-N 3.19Å; P677-D679 VanDerWaalsContact O-N 3.11Å; D679-D683 PolarHBondContact O-N 3.16Å |
| 680 | E | 90.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 17% | 0.173 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.3 | -41.2 | 174.1 | -56.2 | -168.5 | -170.8 | 0 | 0 | 111.2 | E676 P677 L678 V682 D683 R684 R729 | E676-E680 HydrophobicContact CG-CB 4.39Å; P677-E680 HydrophobicContact CB-CG 4.13Å; P677-E680 HydrophobicContact CG-CG 4.34Å; P677-E680 WeakPolarHBondContact O-CA 3.36Å; P677-E680 VanDerWaalsContact O-CB 3.32Å; P677-E680 WeakPolarHBondContact O-CB 3.47Å; P677-E680 PolarHBondContact O-N 2.92Å; L678-E680 VanDerWaalsContact C-N 3.26Å; L678-E680 PolarHBondContact O-N 3.27Å; E680-V682 VanDerWaalsContact C-N 3.31Å; E680-V682 PolarHBondContact O-N 3.19Å; E680-D683 WeakPolarHBondContact O-CB 3.33Å; E680-D683 PolarHBondContact O-N 3.36Å; E680-R684 PolarHBondContact O-N 3.02Å; E680-R729 IonicContact OE1-CZ 2.68Å; E680-R729 VanDerWaalsContact OE1-CZ 3.24Å; E680-R729 IonicContact OE1-NE 3.99Å; E680-R729 IonicContact OE1-NH1 3.83Å; E680-R729 PolarHBondContact OE1-NH1 3.46Å; E680-R729 IonicContact OE1-NH2 2.8Å |
| 681 | T | 90.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.2 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | V669 F674 E676 P677 L678 D683 R684 F685 | V669-T681 HydrophobicContact CG1-CG2 3.49Å; V669-T681 VanDerWaalsContact CG1-CG2 3.49Å; F674-T681 HydrophobicContact CD2-CG2 3.3Å; F674-T681 HydrophobicContact CE2-CG2 3.74Å; F674-T681 HydrophobicContact CG-CG2 4.22Å; E676-T681 WeakPolarHBondContact CG-OG1 3.5Å; E676-T681 VanDerWaalsContact OE1-CA 3.27Å; E676-T681 WeakPolarHBondContact OE1-CA 3.16Å; E676-T681 WeakPolarHBondContact OE1-CB 3.44Å; E676-T681 PolarHBondContact OE1-OG1 3.23Å; P677-T681 PolarHBondContact O-N 3.24Å; L678-T681 PolarHBondContact O-N 2.98Å; T681-D683 PolarHBondContact O-N 3Å; T681-R684 WeakPolarHBondContact O-CB 3.49Å; T681-R684 PolarHBondContact O-N 3.44Å; T681-R684 VanDerWaalsContact O-N 3.16Å; T681-F685 HydrophobicContact CG2-CE2 4.09Å; T681-F685 VanDerWaalsContact O-CD2 3.24Å; T681-F685 WeakPolarHBondContact O-CD2 3.41Å; T681-F685 WeakPolarHBondContact O-CE2 3.19Å |
| 682 | V | 93.2 | Very high | 90 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.5 | -43 | 175.5 | 164.2 | 0 | 0 | 0 | 0 | 110.8 | L664 K666 V669 L678 E680 R684 F685 I690 | L664-V682 HydrophobicContact CD2-CG1 4.04Å; K666-V682 HydrophobicContact CG-CG2 4.21Å; V669-V682 HydrophobicContact CB-CG2 4.18Å; V669-V682 HydrophobicContact CG1-CG2 4.01Å; V669-V682 HydrophobicContact CG2-CG2 4.1Å; L678-V682 VanDerWaalsContact O-CG2 3.31Å; L678-V682 WeakPolarHBondContact O-CG2 3.46Å; L678-V682 PolarHBondContact O-N 3.25Å; E680-V682 VanDerWaalsContact C-N 3.31Å; E680-V682 PolarHBondContact O-N 3.19Å; V682-R684 VanDerWaalsContact C-N 3.27Å; V682-R684 PolarHBondContact O-N 3.26Å; V682-F685 PolarHBondContact O-N 2.99Å; V682-F685 VanDerWaalsContact O-N 3.11Å; V682-I690 HydrophobicContact CG1-CG1 4.04Å; V682-I690 HydrophobicContact CG1-CG2 4.4Å |
| 683 | D | 93.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -31.3 | -178.4 | -70.5 | -20.5 | 0 | 0 | 0 | 113 | K528 D679 E680 T681 F685 R686 Q728 | K528-D683 WeakPolarHBondContact CE-OD1 3.45Å; K528-D683 IonicContact NZ-OD1 3.37Å; K528-D683 PolarHBondContact NZ-OD1 2.89Å; K528-D683 IonicContact NZ-OD2 3.9Å; K528-D683 PolarHBondContact NZ-OD2 3.25Å; D679-D683 PolarHBondContact O-N 3.16Å; E680-D683 WeakPolarHBondContact O-CB 3.33Å; E680-D683 PolarHBondContact O-N 3.36Å; T681-D683 PolarHBondContact O-N 3Å; D683-F685 PolarHBondContact O-N 3.44Å; D683-F685 VanDerWaalsContact O-N 3.15Å; D683-R686 WeakPolarHBondContact O-CG 3.46Å; D683-R686 PolarHBondContact O-N 2.71Å; D683-Q728 HydrophobicContact CB-CB 4.09Å; D683-Q728 HydrophobicContact CB-CG 4.12Å; D683-Q728 WeakPolarHBondContact O-CG 3.37Å |
| 684 | R | 93.1 | Very high | 89.4 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.8 | -31.6 | 175.9 | -62.7 | -179.7 | 176.1 | -100.8 | 1.3 | 112.6 | E676 E680 T681 V682 R686 I724 C725 N727 | E676-R684 WeakPolarHBondContact OE1-CD 3.15Å; E676-R684 IonicContact OE1-CZ 3.92Å; E676-R684 IonicContact OE1-NE 3.47Å; E676-R684 PolarHBondContact OE1-NE 2.88Å; E676-R684 IonicContact OE1-NH2 2.65Å; E676-R684 IonicContact OE2-CZ 3.35Å; E676-R684 IonicContact OE2-NE 2.77Å; E676-R684 PolarHBondContact OE2-NE 3.45Å; E676-R684 IonicContact OE2-NH2 2.83Å; E676-R684 PolarHBondContact OE2-NH2 2.98Å; E680-R684 PolarHBondContact O-N 3.02Å; T681-R684 WeakPolarHBondContact O-CB 3.49Å; T681-R684 PolarHBondContact O-N 3.44Å; T681-R684 VanDerWaalsContact O-N 3.16Å; V682-R684 VanDerWaalsContact C-N 3.27Å; V682-R684 PolarHBondContact O-N 3.26Å; R684-R686 VanDerWaalsContact C-N 3.29Å; R684-R686 PolarHBondContact O-N 3.32Å; R684-I724 WeakPolarHBondContact O-CG2 3.41Å; R684-C725 PolarHBondContact NH1-O 2.87Å; R684-N727 PolarHBondContact NH2-ND2 2.83Å |
| 685 | F | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.4 | -178.8 | -66.1 | -78.3 | 0 | 0 | 0 | 113.7 | L662 L664 V669 L672 T681 V682 D683 A687 R720 I724 T737 I741 F751 | L662-F685 WeakPolarHBondContact CD2-O 3.33Å; L664-F685 HydrophobicContact CD1-CB 3.88Å; L664-F685 HydrophobicContact CD1-CD1 4.36Å; L664-F685 HydrophobicContact CD1-CD2 4.49Å; L664-F685 HydrophobicContact CD1-CG 3.98Å; L664-F685 HydrophobicContact CD2-CB 3.71Å; L664-F685 HydrophobicContact CD2-CD2 4.1Å; L664-F685 HydrophobicContact CD2-CG 4.11Å; L664-F685 HydrophobicContact CG-CB 4.46Å; V669-F685 HydrophobicContact CB-CE2 4.5Å; V669-F685 HydrophobicContact CG1-CD2 4.38Å; V669-F685 HydrophobicContact CG1-CE2 3.9Å; V669-F685 HydrophobicContact CG2-CD2 3.95Å; V669-F685 HydrophobicContact CG2-CE2 3.96Å; L672-F685 HydrophobicContact CD1-CE1 4.49Å; L672-F685 HydrophobicContact CD1-CE2 4.01Å; L672-F685 HydrophobicContact CD1-CZ 3.46Å; L672-F685 VanDerWaalsContact CD1-CZ 3.46Å; T681-F685 HydrophobicContact CG2-CE2 4.09Å; T681-F685 VanDerWaalsContact O-CD2 3.24Å; T681-F685 WeakPolarHBondContact O-CD2 3.41Å; T681-F685 WeakPolarHBondContact O-CE2 3.19Å; V682-F685 PolarHBondContact O-N 2.99Å; V682-F685 VanDerWaalsContact O-N 3.11Å; D683-F685 PolarHBondContact O-N 3.44Å; D683-F685 VanDerWaalsContact O-N 3.15Å; F685-A687 PolarHBondContact O-N 3.04Å; F685-A687 VanDerWaalsContact O-N 3.12Å; F685-R720 PolarHBondContact O-NH1 3.38Å; F685-I724 HydrophobicContact CD1-CG2 4.4Å; F685-I724 HydrophobicContact CE1-CD1 4.37Å; F685-T737 HydrophobicContact CZ-CG2 4.16Å; F685-I741 HydrophobicContact CE1-CD1 3.58Å; F685-I741 HydrophobicContact CZ-CD1 3.93Å; F685-F751 HydrophobicContact CD1-CB 4.18Å; F685-F751 AromaticContact CD1-CD1 3.45Å; F685-F751 HydrophobicContact CD1-CD1 3.45Å; F685-F751 VanDerWaalsContact CD1-CD1 3.45Å; F685-F751 HydrophobicContact CD1-CE1 4.09Å; F685-F751 AromaticContact CD1-CG 4Å; F685-F751 HydrophobicContact CD1-CG 4Å; F685-F751 HydrophobicContact CD2-CE1 4.44Å; F685-F751 HydrophobicContact CE1-CB 3.91Å; F685-F751 AromaticContact CE1-CD1 3.3Å; F685-F751 HydrophobicContact CE1-CD1 3.3Å; F685-F751 HydrophobicContact CE1-CD2 4.22Å; F685-F751 AromaticContact CE1-CE1 3.81Å; F685-F751 HydrophobicContact CE1-CE1 3.81Å; F685-F751 AromaticContact CE1-CG 3.52Å; F685-F751 HydrophobicContact CE1-CG 3.52Å; F685-F751 HydrophobicContact CE1-CZ 4.42Å; F685-F751 HydrophobicContact CE2-CD1 4.45Å; F685-F751 HydrophobicContact CE2-CE1 4.19Å; F685-F751 HydrophobicContact CG-CD1 4.11Å; F685-F751 HydrophobicContact CG-CE1 4.4Å; F685-F751 AromaticContact CZ-CD1 3.87Å; F685-F751 HydrophobicContact CZ-CD1 3.87Å; F685-F751 AromaticContact CZ-CE1 3.88Å; F685-F751 HydrophobicContact CZ-CE1 3.88Å; F685-F751 HydrophobicContact CZ-CG 4.22Å; F685-F751 HydrophobicContact CZ-CZ 4.23Å |
| 686 | R | 93.1 | Very high | 89.2 | Confident | 23 Ų | 23 | 22.3 Ų | 22.3 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | trans | 48.3 | 42.4 | 175.9 | -59.6 | -177.3 | 59.9 | 83 | 1.3 | 113.6 | Y519 C524 D683 R684 | Y519-R686 HydrophobicContact CE1-CB 4.14Å; Y519-R686 HydrophobicContact CE1-CG 4.34Å; Y519-R686 WeakPolarHBondContact OH-CA 3.22Å; C524-R686 VanDerWaalsContact O-CZ 3.27Å; C524-R686 PolarHBondContact O-NH1 3.36Å; C524-R686 PolarHBondContact O-NH2 3.44Å; D683-R686 WeakPolarHBondContact O-CG 3.46Å; D683-R686 PolarHBondContact O-N 2.71Å; R684-R686 VanDerWaalsContact C-N 3.29Å; R684-R686 PolarHBondContact O-N 3.32Å | ||
| 687 | A | 95.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | trans | -76.5 | 158 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | A517 Y519 L662 L664 F685 | A517-A687 VanDerWaalsContact CB-O 3.3Å; A517-A687 WeakPolarHBondContact CB-O 3.49Å; Y519-A687 VanDerWaalsContact CE2-O 3.31Å; Y519-A687 WeakPolarHBondContact CE2-O 3.3Å; Y519-A687 PolarHBondContact OH-N 3.07Å; Y519-A687 PolarHBondContact OH-O 3.37Å; L662-A687 HydrophobicContact CD2-CB 4.24Å; L662-A687 HydrophobicContact CG-CB 4.08Å; L664-A687 HydrophobicContact CB-CB 3.46Å; L664-A687 VanDerWaalsContact CB-CB 3.46Å; L664-A687 HydrophobicContact CD2-CB 4.09Å; L664-A687 HydrophobicContact CG-CB 4.31Å; F685-A687 PolarHBondContact O-N 3.04Å; F685-A687 VanDerWaalsContact O-N 3.12Å | ||
| 688 | N | 96 | Very high | 89.3 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -93.5 | -34 | 174.5 | -62 | 102.2 | 0 | 0 | 0 | 112.2 | M516 A517 L542 D545 F661 L662 | M516-N688 CarbonylContact C-O 3.5Å; M516-N688 VanDerWaalsContact CA-O 3.25Å; M516-N688 WeakPolarHBondContact CA-O 3.18Å; A517-N688 PolarHBondContact N-O 3.38Å; A517-N688 WeakPolarHBondContact O-CA 3.47Å; A517-N688 PolarHBondContact O-ND2 3.2Å; L542-N688 HydrophobicContact CD1-CB 4.25Å; D545-N688 PolarHBondContact OD1-ND2 3.23Å; D545-N688 PolarHBondContact OD2-ND2 3.24Å; F661-N688 HydrophobicContact CB-CB 4.43Å; F661-N688 HydrophobicContact CD1-CB 4.48Å; L662-N688 PolarHBondContact N-OD1 2.95Å; L662-N688 VanDerWaalsContact N-OD1 3.13Å; L662-N688 PolarHBondContact O-N 3.05Å |
| 689 | I | 96.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.2 | -174.5 | -68.4 | 171.2 | 0 | 0 | 0 | 107.5 | L513 F661 L662 L663 L664 I691 I707 I755 M772 | L513-I689 HydrophobicContact CD1-CG2 3.75Å; F661-I689 HydrophobicContact CB-CD1 3.81Å; F661-I689 HydrophobicContact CD1-CD1 3.81Å; F661-I689 HydrophobicContact CD1-CG1 4.4Å; F661-I689 HydrophobicContact CG-CD1 3.88Å; L662-I689 PolarHBondContact O-N 2.99Å; L662-I689 VanDerWaalsContact O-N 3.09Å; L663-I689 CarbonylContact C-O 3.51Å; L663-I689 WeakPolarHBondContact CA-O 3.36Å; L663-I689 HydrophobicContact CB-CB 4.37Å; L663-I689 HydrophobicContact CB-CG2 4.45Å; L663-I689 HydrophobicContact CD1-CG2 3.95Å; L663-I689 HydrophobicContact CG-CB 4.48Å; L663-I689 HydrophobicContact CG-CG2 4.06Å; L664-I689 PolarHBondContact N-O 3.48Å; I689-I691 HydrophobicContact CG2-CG2 4.11Å; I689-I707 HydrophobicContact CD1-CD1 4.31Å; I689-I707 HydrophobicContact CG2-CD1 3.88Å; I689-I755 HydrophobicContact CD1-CD1 3.89Å; I689-M772 HydrophobicContact CD1-CE 3.78Å; I689-M772 HydrophobicContact CD1-SD 4.25Å; I689-M772 HydrophobicContact CG1-CE 3.79Å |
| 690 | I | 96.1 | Very high | 89.5 | Confident | 7 Ų | 7 | 19.7 Ų | 19.7 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.5 | 179.1 | -58.4 | 84.7 | 0 | 0 | 0 | 108.5 | L514 Q515 A517 L664 K666 V682 | L514-I690 WeakPolarHBondContact CB-O 3.3Å; L514-I690 PolarHBondContact N-O 3.22Å; Q515-I690 HydrophobicContact CB-CB 4.25Å; Q515-I690 HydrophobicContact CB-CD1 4.23Å; Q515-I690 HydrophobicContact CG-CD1 4.34Å; Q515-I690 PolarHBondContact N-O 3.32Å; Q515-I690 WeakPolarHBondContact O-CD1 3.28Å; Q515-I690 PolarHBondContact O-N 2.93Å; A517-I690 HydrophobicContact CB-CD1 4.24Å; L664-I690 WeakPolarHBondContact O-CA 3.2Å; K666-I690 HydrophobicContact CB-CG2 4.35Å; V682-I690 HydrophobicContact CG1-CG1 4.04Å; V682-I690 HydrophobicContact CG1-CG2 4.4Å |
| 691 | I | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 166.2 | 175.7 | 67.4 | 169.6 | 0 | 0 | 0 | 109.5 | L663 L664 N665 K666 I689 T693 Y702 V778 | L663-I691 HydrophobicContact CD1-CD1 4.22Å; L663-I691 HydrophobicContact CD1-CG2 4.38Å; L663-I691 HydrophobicContact CD2-CD1 3.81Å; L663-I691 HydrophobicContact CD2-CG1 4.03Å; L663-I691 HydrophobicContact CG-CD1 4.41Å; L663-I691 HydrophobicContact CG-CG1 4.47Å; L664-I691 PolarHBondContact O-N 2.94Å; N665-I691 CarbonylContact C-O 3.57Å; N665-I691 WeakPolarHBondContact CA-O 3.41Å; N665-I691 HydrophobicContact CB-CG1 4.36Å; K666-I691 WeakPolarHBondContact CB-O 3.19Å; K666-I691 PolarHBondContact N-O 3.45Å; I689-I691 HydrophobicContact CG2-CG2 4.11Å; I691-T693 HydrophobicContact CD1-CG2 3.61Å; I691-T693 HydrophobicContact CG1-CG2 4.19Å; I691-Y702 HydrophobicContact CD1-CE2 4.43Å; I691-V778 HydrophobicContact CD1-CG1 4.47Å; I691-V778 HydrophobicContact CG2-CG2 3.81Å |
| 692 | D | 87.3 | Confident | 89.5 | Confident | 37 Ų | 37 | 22.7 Ų | 22.7 | 20% | 0.198 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.2 | 165.5 | -165.3 | -13.7 | 0 | 0 | 0 | 109.7 | L514 K666 S667 R670 G694 | L514-D692 HydrophobicContact CD1-CB 3.56Å; L514-D692 HydrophobicContact CG-CB 4.42Å; K666-D692 HydrophobicContact CB-CB 4.02Å; S667-D692 WeakPolarHBondContact CB-OD1 3.16Å; S667-D692 PolarHBondContact OG-OD1 2.92Å; R670-D692 IonicContact CZ-OD2 3.02Å; R670-D692 IonicContact NH1-OD1 3.93Å; R670-D692 IonicContact NH1-OD2 2.72Å; R670-D692 PolarHBondContact NH1-OD2 3.37Å; R670-D692 IonicContact NH2-OD2 2.82Å; R670-D692 PolarHBondContact NH2-OD2 2.92Å; D692-G694 PolarHBondContact OD1-N 3.49Å |
| 693 | T | 82 | Confident | 89.5 | Confident | 22 Ų | 22 | 29.4 Ų | 29.4 | 14% | 0.135 | 16% | 0.156 | C | C | . | . | trans | -97.2 | -4.6 | -177.2 | 77.4 | 0 | 0 | 0 | 0 | 112.8 | P511 N665 I691 S695 E698 Y702 | P511-T693 HydrophobicContact CB-CG2 4.23Å; P511-T693 HydrophobicContact CG-CG2 4.2Å; N665-T693 PolarHBondContact ND2-OG1 3.03Å; N665-T693 PolarHBondContact OD1-N 3.1Å; I691-T693 HydrophobicContact CD1-CG2 3.61Å; I691-T693 HydrophobicContact CG1-CG2 4.19Å; T693-S695 PolarHBondContact O-N 3.41Å; T693-S695 PolarHBondContact OG1-N 2.98Å; T693-S695 PolarHBondContact OG1-O 3.35Å; T693-S695 VanDerWaalsContact OG1-O 3.05Å; T693-E698 WeakPolarHBondContact CB-OE2 3.41Å; T693-E698 PolarHBondContact OG1-OE2 3.47Å; T693-Y702 WeakPolarHBondContact CG2-OH 3.23Å | ||
| 694 | G | 73.9 | Confident | 89.5 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 74.5 | -12.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S667 D692 | S667-G694 VanDerWaalsContact OG-CA 3.23Å; S667-G694 WeakPolarHBondContact OG-CA 3.49Å; S667-G694 PolarHBondContact OG-N 2.86Å; D692-G694 PolarHBondContact OD1-N 3.49Å |
| 695 | S | 77.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 28 Ų | 28 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -121.5 | 124.1 | 177.9 | -65 | 0 | 0 | 0 | 0 | 111.5 | N665 T693 | N665-S695 PolarHBondContact ND2-O 2.99Å; T693-S695 PolarHBondContact O-N 3.41Å; T693-S695 PolarHBondContact OG1-N 2.98Å; T693-S695 PolarHBondContact OG1-O 3.35Å; T693-S695 VanDerWaalsContact OG1-O 3.05Å |
| 696 | A | 83.3 | Confident | 89.6 | Confident | 19 Ų | 19 | 28.3 Ų | 28.3 | 16% | 0.157 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 138.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E698 | A696-E698 PolarHBondContact O-N 3.37Š|
| 697 | F | 85.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 27.2 Ų | 27.2 | 25% | 0.254 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 9.8 | 177.2 | -51.8 | -71.9 | 0 | 0 | 0 | 115.8 | S668 S671 E699 L700 F751 | S668-F697 WeakPolarHBondContact OG-CA 3.22Å; S668-F697 PolarHBondContact OG-N 3.47Å; S671-F697 WeakPolarHBondContact OG-CE2 3.43Å; S671-F697 WeakPolarHBondContact OG-CZ 3.33Å; F697-E699 VanDerWaalsContact C-OE2 3.24Å; F697-E699 VanDerWaalsContact CA-OE2 3.29Å; F697-E699 WeakPolarHBondContact CA-OE2 3.39Å; F697-E699 PolarHBondContact O-N 3.49Å; F697-L700 HydrophobicContact CB-CD1 3.98Å; F697-L700 HydrophobicContact CB-CG 4.34Å; F697-L700 HydrophobicContact CD1-CD1 4.11Å; F697-L700 HydrophobicContact CG-CD1 4.44Å; F697-L700 WeakPolarHBondContact O-CB 3.28Å; F697-L700 PolarHBondContact O-N 3.34Å; F697-L700 VanDerWaalsContact O-N 3.1Å; F697-F751 HydrophobicContact CE1-CD2 4.05Å; F697-F751 AromaticContact CE1-CE2 3.53Å; F697-F751 HydrophobicContact CE1-CE2 3.53Å; F697-F751 HydrophobicContact CE1-CZ 4.33Å; F697-F751 HydrophobicContact CZ-CE2 4.1Å |
| 698 | E | 84.8 | Confident | 89.4 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -55.6 | -38.2 | 177.2 | -167.3 | -166.5 | 140.1 | 0 | 0 | 111.8 | T693 A696 L700 T701 Y702 | T693-E698 WeakPolarHBondContact CB-OE2 3.41Å; T693-E698 PolarHBondContact OG1-OE2 3.47Å; A696-E698 PolarHBondContact O-N 3.37Å; E698-L700 PolarHBondContact O-N 3.27Å; E698-T701 WeakPolarHBondContact O-CB 3.41Å; E698-T701 PolarHBondContact O-N 3.03Å; E698-T701 PolarHBondContact O-OG1 3.47Å; E698-Y702 HydrophobicContact CG-CE1 3.91Å; E698-Y702 WeakPolarHBondContact O-CE1 3.44Å; E698-Y702 PolarHBondContact OE1-OH 3.25Å |
| 699 | E | 90.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -58.6 | -23.9 | 180 | 72.7 | -79.4 | -169.9 | 0 | 0 | 113.6 | L663 N665 S668 F697 T701 Y702 I753 | L663-E699 HydrophobicContact CD2-CB 4.14Å; N665-E699 HydrophobicContact CB-CB 4.38Å; N665-E699 HydrophobicContact CB-CG 4.13Å; N665-E699 WeakPolarHBondContact CB-OE2 3.46Å; N665-E699 PolarHBondContact ND2-OE2 2.81Å; S668-E699 WeakPolarHBondContact CB-OE1 3.49Å; S668-E699 PolarHBondContact OG-OE1 3.31Å; S668-E699 PolarHBondContact OG-OE2 3.02Å; F697-E699 VanDerWaalsContact C-OE2 3.24Å; F697-E699 VanDerWaalsContact CA-OE2 3.29Å; F697-E699 WeakPolarHBondContact CA-OE2 3.39Å; F697-E699 PolarHBondContact O-N 3.49Å; E699-T701 PolarHBondContact O-N 3.48Å; E699-Y702 HydrophobicContact CB-CD2 4.08Å; E699-Y702 HydrophobicContact CB-CE2 3.92Å; E699-Y702 WeakPolarHBondContact O-CB 3.38Å; E699-Y702 PolarHBondContact O-N 3.33Å; E699-I753 HydrophobicContact CB-CD1 4.12Å; E699-I753 HydrophobicContact CB-CG1 4.43Å; E699-I753 HydrophobicContact CG-CG1 4.48Å; E699-I753 HydrophobicContact CG-CG2 4.15Å; E699-I753 WeakPolarHBondContact O-CG2 3.18Å |
| 700 | L | 90 | Very high | 88.9 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -69.3 | -15.2 | 177.6 | -59.3 | -176.2 | 0 | 0 | 0 | 112.7 | F697 E698 P717 I753 | F697-L700 HydrophobicContact CB-CD1 3.98Å; F697-L700 HydrophobicContact CB-CG 4.34Å; F697-L700 HydrophobicContact CD1-CD1 4.11Å; F697-L700 HydrophobicContact CG-CD1 4.44Å; F697-L700 WeakPolarHBondContact O-CB 3.28Å; F697-L700 PolarHBondContact O-N 3.34Å; F697-L700 VanDerWaalsContact O-N 3.1Å; E698-L700 PolarHBondContact O-N 3.27Å; L700-P717 HydrophobicContact CD2-CB 4.16Å; L700-I753 HydrophobicContact CD2-CG2 3.89Å |
| 701 | T | 88.1 | Confident | 88.9 | Confident | 97 Ų | 97 | 33.5 Ų | 33.5 | 60% | 0.595 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -87.7 | -16.7 | 179.2 | 68.4 | 0 | 0 | 0 | 0 | 113 | E698 E699 | E698-T701 WeakPolarHBondContact O-CB 3.41Å; E698-T701 PolarHBondContact O-N 3.03Å; E698-T701 PolarHBondContact O-OG1 3.47Å; E699-T701 PolarHBondContact O-N 3.48Å |
| 702 | Y | 91.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | trans | -66.7 | 144 | -171.1 | -60.1 | -7.5 | 0 | 0 | 0 | 112 | I691 T693 E698 E699 I753 V780 | I691-Y702 HydrophobicContact CD1-CE2 4.43Å; T693-Y702 WeakPolarHBondContact CG2-OH 3.23Å; E698-Y702 HydrophobicContact CG-CE1 3.91Å; E698-Y702 WeakPolarHBondContact O-CE1 3.44Å; E698-Y702 PolarHBondContact OE1-OH 3.25Å; E699-Y702 HydrophobicContact CB-CD2 4.08Å; E699-Y702 HydrophobicContact CB-CE2 3.92Å; E699-Y702 WeakPolarHBondContact O-CB 3.38Å; E699-Y702 PolarHBondContact O-N 3.33Å; Y702-I753 HydrophobicContact CD2-CD1 4.09Å; Y702-V780 HydrophobicContact CD1-CB 4.29Å; Y702-V780 HydrophobicContact CD1-CG1 3.35Å; Y702-V780 HydrophobicContact CD1-CG2 3.91Å; Y702-V780 HydrophobicContact CD2-CG1 4.47Å; Y702-V780 HydrophobicContact CD2-CG2 4.14Å; Y702-V780 HydrophobicContact CE1-CB 4.17Å; Y702-V780 HydrophobicContact CE1-CG1 3.67Å; Y702-V780 HydrophobicContact CE1-CG2 3.43Å; Y702-V780 VanDerWaalsContact CE1-CG2 3.43Å; Y702-V780 HydrophobicContact CE2-CG2 3.69Å; Y702-V780 HydrophobicContact CG-CG1 3.81Å; Y702-V780 HydrophobicContact CG-CG2 4.25Å | ||
| 703 | K | 93.5 | Very high | 89.3 | Confident | 147 Ų | 147 | 35.7 Ų | 35.7 | 64% | 0.639 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -112.9 | -43.7 | 174.2 | -60.4 | -57.2 | 176.3 | -164.3 | 0 | 111.2 | Q713 V714 | K703-Q713 PolarHBondContact O-NE2 2.95Å; K703-V714 WeakPolarHBondContact O-CB 3.39Å; K703-V714 PolarHBondContact O-N 3.26Å |
| 704 | A | 93.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 163 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | F712 E781 | A704-F712 VanDerWaalsContact CA-O 3.28Å; A704-F712 WeakPolarHBondContact CA-O 3.46Å; A704-F712 WeakPolarHBondContact CB-O 3.49Å; A704-E781 HydrophobicContact CB-CB 4.08Å; A704-E781 PolarHBondContact O-N 2.94Å |
| 705 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159 | 175.8 | 71.2 | 159 | 0 | 0 | 0 | 110.4 | L663 I707 Q711 F712 V714 I755 V778 L779 | L663-L705 HydrophobicContact CD1-CD1 3.59Å; L705-I707 HydrophobicContact CD1-CD1 4.32Å; L705-I707 HydrophobicContact CD1-CG1 4.25Å; L705-Q711 PolarHBondContact O-OE1 3.15Å; L705-F712 HydrophobicContact CD2-CB 3.73Å; L705-F712 HydrophobicContact CG-CB 4.1Å; L705-F712 PolarHBondContact N-O 3.48Å; L705-F712 WeakPolarHBondContact O-CA 3.22Å; L705-F712 PolarHBondContact O-N 3.07Å; L705-V714 HydrophobicContact CD2-CG2 3.71Å; L705-I755 HydrophobicContact CD1-CD1 4.45Å; L705-I755 HydrophobicContact CD2-CB 4.38Å; L705-I755 HydrophobicContact CD2-CD1 4.29Å; L705-I755 HydrophobicContact CD2-CG2 3.86Å; L705-V778 HydrophobicContact CD1-CG1 4.04Å; L705-L779 CarbonylContact C-O 3.57Å; L705-L779 WeakPolarHBondContact CA-O 3.41Å; L705-L779 VanDerWaalsContact CB-O 3.25Å; L705-L779 WeakPolarHBondContact CB-O 3.28Å |
| 706 | S | 94.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.8 | 165.8 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | I710 V778 L779 | S706-I710 CarbonylContact C-O 3.48Å; S706-I710 WeakPolarHBondContact CA-O 3.14Å; S706-I710 WeakPolarHBondContact CB-O 3.36Å; S706-V778 CarbonylContact O-C 3.55Å; S706-V778 VanDerWaalsContact O-CA 3.31Å; S706-V778 WeakPolarHBondContact O-CA 3.22Å; S706-L779 PolarHBondContact N-O 2.63Å; S706-L779 PolarHBondContact O-N 3.25Å; S706-L779 WeakPolarHBondContact OG-CB 3.41Å |
| 707 | I | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 113.8 | 174.8 | -52.4 | 179.3 | 0 | 0 | 0 | 106.9 | L513 I689 L705 G709 I710 F712 M772 D776 V778 | L513-I707 HydrophobicContact CB-CG2 3.94Å; L513-I707 HydrophobicContact CD2-CG2 3.99Å; I689-I707 HydrophobicContact CD1-CD1 4.31Å; I689-I707 HydrophobicContact CG2-CD1 3.88Å; L705-I707 HydrophobicContact CD1-CD1 4.32Å; L705-I707 HydrophobicContact CD1-CG1 4.25Å; I707-G709 PolarHBondContact O-N 2.85Å; I707-G709 VanDerWaalsContact O-N 3.14Å; I707-I710 PolarHBondContact N-O 3.1Å; I707-I710 WeakPolarHBondContact O-CB 3.43Å; I707-I710 PolarHBondContact O-N 3.02Å; I707-F712 HydrophobicContact CB-CE2 4.03Å; I707-F712 HydrophobicContact CD1-CD2 4.45Å; I707-F712 HydrophobicContact CD1-CE2 4.09Å; I707-F712 HydrophobicContact CG1-CD2 4.23Å; I707-F712 HydrophobicContact CG1-CE2 3.98Å; I707-M772 HydrophobicContact CB-SD 4.4Å; I707-M772 HydrophobicContact CD1-SD 4.32Å; I707-M772 HydrophobicContact CG2-CG 4.28Å; I707-M772 HydrophobicContact CG2-SD 4.17Å; I707-D776 HydrophobicContact CG2-CB 3.85Å; I707-V778 HydrophobicContact CG1-CG1 4.43Å; I707-V778 HydrophobicContact CG1-CG2 4.26Å; I707-V778 HydrophobicContact CG2-CG2 4.47Å |
| 708 | G | 91 | Very high | 92 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 26.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I710 V777 | G708-I710 VanDerWaalsContact C-N 3.33Å; G708-V777 PolarHBondContact N-O 2.99Å; G708-V777 VanDerWaalsContact N-O 3.13Å |
| 709 | G | 89.6 | Confident | 92.2 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -3.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | I707 Q760 | I707-G709 PolarHBondContact O-N 2.85Å; I707-G709 VanDerWaalsContact O-N 3.14Å; G709-Q760 PolarHBondContact O-NE2 3.32Å |
| 710 | I | 93.1 | Very high | 92 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.3 | 172.6 | -55 | 157.5 | 0 | 0 | 0 | 108.3 | L537 S706 I707 G708 F712 R757 Q770 M772 | L537-I710 HydrophobicContact CD1-CD1 3.73Å; L537-I710 HydrophobicContact CD1-CG2 4.23Å; S706-I710 CarbonylContact C-O 3.48Å; S706-I710 WeakPolarHBondContact CA-O 3.14Å; S706-I710 WeakPolarHBondContact CB-O 3.36Å; I707-I710 PolarHBondContact N-O 3.1Å; I707-I710 WeakPolarHBondContact O-CB 3.43Å; I707-I710 PolarHBondContact O-N 3.02Å; G708-I710 VanDerWaalsContact C-N 3.33Å; I710-F712 HydrophobicContact CB-CE2 3.79Å; I710-F712 HydrophobicContact CB-CZ 4.2Å; I710-F712 HydrophobicContact CG2-CD2 4.36Å; I710-F712 HydrophobicContact CG2-CE1 4.38Å; I710-F712 HydrophobicContact CG2-CE2 3.55Å; I710-F712 HydrophobicContact CG2-CZ 3.57Å; I710-F712 VanDerWaalsContact O-CD2 3.24Å; I710-F712 WeakPolarHBondContact O-CD2 3.33Å; I710-F712 VanDerWaalsContact O-CE2 3.32Å; I710-F712 WeakPolarHBondContact O-CE2 3.34Å; I710-R757 HydrophobicContact CG2-CG 3.94Å; I710-Q770 HydrophobicContact CD1-CG 4.37Å; I710-Q770 HydrophobicContact CG1-CG 4.27Å; I710-M772 HydrophobicContact CD1-CB 3.89Å; I710-M772 HydrophobicContact CD1-CG 4.11Å |
| 711 | Q | 94.3 | Very high | 91.8 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 136.4 | -174.1 | -70.3 | -68.3 | -3.6 | 0 | 0 | 112.4 | L705 R757 I758 E781 | L705-Q711 PolarHBondContact O-OE1 3.15Å; Q711-R757 WeakPolarHBondContact O-CA 3.39Å; Q711-I758 HydrophobicContact CB-CB 4.24Å; Q711-I758 HydrophobicContact CB-CD1 4.37Å; Q711-I758 PolarHBondContact O-N 2.87Å; Q711-E781 PolarHBondContact NE2-OE1 3.08Å; Q711-E781 PolarHBondContact OE1-OE1 2.88Å; Q711-E781 VanDerWaalsContact OE1-OE1 3.13Å |
| 712 | F | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.6 | -178.4 | -61.5 | -91.4 | 0 | 0 | 0 | 111.8 | F661 A704 L705 I707 I710 I755 T756 R757 M772 | F661-F712 HydrophobicContact CD2-CD1 4.27Å; F661-F712 AromaticContact CD2-CE1 3.87Å; F661-F712 HydrophobicContact CD2-CE1 3.87Å; F661-F712 HydrophobicContact CE2-CD1 4.33Å; F661-F712 AromaticContact CE2-CE1 3.67Å; F661-F712 HydrophobicContact CE2-CE1 3.67Å; F661-F712 HydrophobicContact CZ-CE1 4.2Å; A704-F712 VanDerWaalsContact CA-O 3.28Å; A704-F712 WeakPolarHBondContact CA-O 3.46Å; A704-F712 WeakPolarHBondContact CB-O 3.49Å; L705-F712 HydrophobicContact CD2-CB 3.73Å; L705-F712 HydrophobicContact CG-CB 4.1Å; L705-F712 PolarHBondContact N-O 3.48Å; L705-F712 WeakPolarHBondContact O-CA 3.22Å; L705-F712 PolarHBondContact O-N 3.07Å; I707-F712 HydrophobicContact CB-CE2 4.03Å; I707-F712 HydrophobicContact CD1-CD2 4.45Å; I707-F712 HydrophobicContact CD1-CE2 4.09Å; I707-F712 HydrophobicContact CG1-CD2 4.23Å; I707-F712 HydrophobicContact CG1-CE2 3.98Å; I710-F712 HydrophobicContact CB-CE2 3.79Å; I710-F712 HydrophobicContact CB-CZ 4.2Å; I710-F712 HydrophobicContact CG2-CD2 4.36Å; I710-F712 HydrophobicContact CG2-CE1 4.38Å; I710-F712 HydrophobicContact CG2-CE2 3.55Å; I710-F712 HydrophobicContact CG2-CZ 3.57Å; I710-F712 VanDerWaalsContact O-CD2 3.24Å; I710-F712 WeakPolarHBondContact O-CD2 3.33Å; I710-F712 VanDerWaalsContact O-CE2 3.32Å; I710-F712 WeakPolarHBondContact O-CE2 3.34Å; F712-I755 HydrophobicContact CB-CB 4.28Å; F712-I755 HydrophobicContact CB-CD1 4.18Å; F712-I755 HydrophobicContact CD1-CD1 3.85Å; F712-I755 HydrophobicContact CD1-CG1 4.1Å; F712-I755 HydrophobicContact CE1-CD1 4.38Å; F712-I755 HydrophobicContact CG-CD1 3.96Å; F712-T756 CarbonylContact C-O 3.54Å; F712-T756 VanDerWaalsContact CA-O 3.27Å; F712-T756 WeakPolarHBondContact CA-O 3.3Å; F712-R757 HydrophobicContact CD1-CB 4.13Å; F712-R757 HydrophobicContact CE1-CB 4Å; F712-R757 HydrophobicContact CE1-CG 4.46Å; F712-M772 HydrophobicContact CZ-SD 4.15Å |
| 713 | Q | 94.8 | Very high | 91.4 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137 | 168.8 | -176 | 60.3 | 42.6 | 0 | 0 | 109.6 | K703 I755 T756 I758 | K703-Q713 PolarHBondContact O-NE2 2.95Å; Q713-I755 VanDerWaalsContact O-CA 3.29Å; Q713-I755 WeakPolarHBondContact O-CA 3.31Å; Q713-T756 PolarHBondContact N-O 3.4Å; Q713-T756 PolarHBondContact O-N 3.42Å; Q713-I758 HydrophobicContact CB-CD1 4.2Å; Q713-I758 HydrophobicContact CB-CG1 4.08Å |
| 714 | V | 93.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.8 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | K703 L705 I753 I755 | K703-V714 WeakPolarHBondContact O-CB 3.39Å; K703-V714 PolarHBondContact O-N 3.26Å; L705-V714 HydrophobicContact CD2-CG2 3.71Å; V714-I753 HydrophobicContact CG1-CB 4.25Å; V714-I753 HydrophobicContact CG1-CD1 4.01Å; V714-I753 HydrophobicContact CG2-CD1 4.07Å; V714-I755 HydrophobicContact CG2-CG2 4.08Å |
| 715 | E | 92.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 36.5 Ų | 36.5 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -21.3 | 178.7 | -58.7 | -61.6 | 159.9 | 0 | 0 | 112.3 | A659 Y754 T756 | A659-E715 HydrophobicContact CB-CG 4.34Å; E715-Y754 PolarHBondContact N-O 3.45Å; E715-T756 WeakPolarHBondContact CG-OG1 3.12Å; E715-T756 WeakPolarHBondContact OE1-CB 3.46Å; E715-T756 PolarHBondContact OE1-OG1 3.12Å |
| 716 | G | 91.6 | Very high | 91 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.2 | -175.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I753 Y754 | G716-I753 WeakPolarHBondContact O-CA 3.32Å; G716-Y754 PolarHBondContact O-N 3.5Å |
| 717 | P | 91.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 37 Ų | 37 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139.2 | -172.8 | 28.3 | -35.2 | 0 | 0 | 0 | 113.1 | L700 R750 G752 | L700-P717 HydrophobicContact CD2-CB 4.16Å; P717-R750 HydrophobicContact CB-CB 4.18Å; P717-R750 HydrophobicContact CB-CG 4.48Å; P717-G752 WeakPolarHBondContact CA-O 3.43Å |
| 718 | C | 90.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L662 R750 F751 G752 Y754 | L662-C718 HydrophobicContact CD1-CB 3.63Å; C718-R750 CarbonylContact O-C 3.59Å; C718-R750 VanDerWaalsContact O-CA 3.24Å; C718-R750 WeakPolarHBondContact O-CA 3.37Å; C718-F751 WeakPolarHBondContact CB-O 3.4Å; C718-F751 PolarHBondContact O-N 3.42Å; C718-G752 PolarHBondContact N-O 3.1Å; C718-Y754 VanDerWaalsContact CA-CE2 3.47Å; C718-Y754 HydrophobicContact CB-CD2 4.05Å; C718-Y754 HydrophobicContact CB-CE1 4.19Å; C718-Y754 HydrophobicContact CB-CE2 3.6Å; C718-Y754 PolarHBondContact SG-OH 2.95Å |
| 719 | Q | 87.5 | Confident | 90.9 | Very high | 121 Ų | 121 | 41.6 Ų | 41.6 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.4 | 170.3 | -64.5 | -147.2 | 4.9 | 0 | 0 | 110.5 | M749 R750 | Q719-M749 CarbonylContact C-O 3.58Å; Q719-M749 WeakPolarHBondContact CA-O 3.37Å; Q719-R750 HydrophobicContact CG-CG 4.26Å |
| 720 | R | 87.6 | Confident | 91 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -93.5 | 147.4 | -178.9 | -58.7 | -55 | -177 | 156.6 | 1.3 | 111.1 | L662 F685 I724 M749 F751 | L662-R720 VanDerWaalsContact CD2-NH1 3.33Å; F685-R720 PolarHBondContact O-NH1 3.38Å; R720-I724 HydrophobicContact CB-CD1 3.84Å; R720-I724 HydrophobicContact CB-CG2 4.42Å; R720-I724 HydrophobicContact CG-CD1 4.27Å; R720-I724 HydrophobicContact CG-CG2 4.5Å; R720-M749 PolarHBondContact N-O 2.82Å; R720-F751 HydrophobicContact CG-CB 3.74Å; R720-F751 PolarHBondContact NE-O 2.83Å; R720-F751 PolarHBondContact NH2-O 3.18Å |
| 721 | C | 84.6 | Confident | 90.9 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | trans | -126.7 | 177.8 | 175.1 | 71.1 | 0 | 0 | 0 | 0 | 109.4 | M723 I724 | C721-M723 PolarHBondContact O-N 3Å; C721-I724 WeakPolarHBondContact O-CG1 3.33Å; C721-I724 PolarHBondContact O-N 3.27Å | ||
| 722 | D | 85.9 | Confident | 90.8 | Very high | 80 Ų | 80 | 47 Ų | 47 | 43% | 0.428 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -54 | -9.9 | -176.5 | -33.4 | -54 | 0 | 0 | 0 | 115.6 | K561 I724 C725 | K561-D722 IonicContact NZ-OD2 3.63Å; K561-D722 PolarHBondContact NZ-OD2 3.07Å; D722-I724 PolarHBondContact O-N 2.9Å; D722-C725 WeakPolarHBondContact O-CB 3.18Å; D722-C725 PolarHBondContact O-N 3.47Å |
| 723 | M | 86.2 | Confident | 90.6 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -56.7 | -37.2 | 174.1 | -158.5 | 67.2 | 85.5 | 0 | 0 | 112.9 | Q560 K561 C721 C725 I726 | Q560-M723 HydrophobicContact CB-CE 4Å; Q560-M723 HydrophobicContact CB-SD 3.16Å; Q560-M723 WeakPolarHBondContact CB-SD 3.49Å; Q560-M723 HydrophobicContact CG-SD 4.32Å; K561-M723 HydrophobicContact CG-CE 3.98Å; K561-M723 HydrophobicContact CG-SD 4.16Å; C721-M723 PolarHBondContact O-N 3Å; M723-C725 PolarHBondContact O-N 3.49Å; M723-C725 VanDerWaalsContact O-N 3.16Å; M723-I726 PolarHBondContact O-N 3.09Å; M723-I726 HydrophobicContact SD-CD1 3.96Å |
| 724 | I | 88.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -70.6 | -8.2 | 179.5 | 67.4 | 167.7 | 0 | 0 | 0 | 113.1 | R684 F685 R720 C721 D722 I726 T737 L738 I741 | R684-I724 WeakPolarHBondContact O-CG2 3.41Å; F685-I724 HydrophobicContact CD1-CG2 4.4Å; F685-I724 HydrophobicContact CE1-CD1 4.37Å; R720-I724 HydrophobicContact CB-CD1 3.84Å; R720-I724 HydrophobicContact CB-CG2 4.42Å; R720-I724 HydrophobicContact CG-CD1 4.27Å; R720-I724 HydrophobicContact CG-CG2 4.5Å; C721-I724 WeakPolarHBondContact O-CG1 3.33Å; C721-I724 PolarHBondContact O-N 3.27Å; D722-I724 PolarHBondContact O-N 2.9Å; I724-I726 PolarHBondContact O-N 3.02Å; I724-T737 HydrophobicContact CB-CG2 4.49Å; I724-T737 HydrophobicContact CD1-CG2 3.98Å; I724-T737 HydrophobicContact CG1-CG2 4.29Å; I724-L738 HydrophobicContact CD1-CB 4.33Å; I724-L738 HydrophobicContact CG1-CB 4.49Å; I724-I741 HydrophobicContact CD1-CD1 3.43Å; I724-I741 VanDerWaalsContact CD1-CD1 3.43Å |
| 725 | C | 91.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -79.1 | -8.6 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 112 | R684 D722 M723 R733 S734 | R684-C725 PolarHBondContact NH1-O 2.87Å; D722-C725 WeakPolarHBondContact O-CB 3.18Å; D722-C725 PolarHBondContact O-N 3.47Å; M723-C725 PolarHBondContact O-N 3.49Å; M723-C725 VanDerWaalsContact O-N 3.16Å; C725-R733 HydrophobicContact CB-CG 4.2Å; C725-R733 CarbonylContact O-C 3.56Å; C725-R733 WeakPolarHBondContact O-CA 3.34Å; C725-S734 VanDerWaalsContact CA-O 3.25Å; C725-S734 WeakPolarHBondContact CA-O 3.4Å; C725-S734 WeakPolarHBondContact CB-O 3.32Å; C725-S734 PolarHBondContact O-N 3.37Å |
| 726 | I | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 120.5 | -177.1 | -59.5 | 164.6 | 0 | 0 | 0 | 108.9 | Q560 T564 M723 I724 Q728 E732 | Q560-I726 HydrophobicContact CB-CD1 3.72Å; Q560-I726 HydrophobicContact CG-CD1 4.4Å; Q560-I726 VanDerWaalsContact O-CD1 3.28Å; Q560-I726 WeakPolarHBondContact O-CD1 3.4Å; T564-I726 HydrophobicContact CG2-CD1 3.89Å; T564-I726 HydrophobicContact CG2-CG1 4.01Å; T564-I726 HydrophobicContact CG2-CG2 4.18Å; M723-I726 PolarHBondContact O-N 3.09Å; M723-I726 HydrophobicContact SD-CD1 3.96Å; I724-I726 PolarHBondContact O-N 3.02Å; I726-Q728 PolarHBondContact O-N 2.82Å; I726-Q728 PolarHBondContact O-NE2 3.18Å; I726-E732 WeakPolarHBondContact CA-O 3.43Å |
| 727 | N | 92 | Very high | 89.2 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -65.2 | 119.1 | 169.7 | -178 | -49.4 | 0 | 0 | 0 | 108.4 | E676 R684 R729 T730 G731 E732 | E676-N727 PolarHBondContact OE2-ND2 2.68Å; R684-N727 PolarHBondContact NH2-ND2 2.83Å; N727-R729 PolarHBondContact O-N 2.82Å; N727-R729 WeakPolarHBondContact OD1-CA 3.15Å; N727-R729 WeakPolarHBondContact OD1-CB 3.13Å; N727-R729 PolarHBondContact OD1-N 2.9Å; N727-T730 WeakPolarHBondContact CB-OG1 3.47Å; N727-T730 PolarHBondContact O-N 2.72Å; N727-T730 PolarHBondContact OD1-N 3.21Å; N727-T730 VanDerWaalsContact OD1-N 3.15Å; N727-G731 WeakPolarHBondContact O-CA 3.49Å; N727-G731 PolarHBondContact O-N 2.72Å; N727-E732 PolarHBondContact N-O 2.94Å | ||
| 728 | Q | 93.9 | Very high | 89 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.9 | -173.2 | -59.9 | -61.4 | -74.1 | 0 | 0 | 113.7 | D683 I726 | D683-Q728 HydrophobicContact CB-CB 4.09Å; D683-Q728 HydrophobicContact CB-CG 4.12Å; D683-Q728 WeakPolarHBondContact O-CG 3.37Å; I726-Q728 PolarHBondContact O-N 2.82Å; I726-Q728 PolarHBondContact O-NE2 3.18Å |
| 729 | R | 91.2 | Very high | 88.8 | Confident | 122 Ų | 122 | 56 Ų | 56 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -31.4 | 176.6 | -64.6 | -168.1 | 173.8 | -172.9 | 7 | 113.7 | L568 E680 N727 | L568-R729 WeakPolarHBondContact CD2-O 3.36Å; E680-R729 IonicContact OE1-CZ 2.68Å; E680-R729 VanDerWaalsContact OE1-CZ 3.24Å; E680-R729 IonicContact OE1-NE 3.99Å; E680-R729 IonicContact OE1-NH1 3.83Å; E680-R729 PolarHBondContact OE1-NH1 3.46Å; E680-R729 IonicContact OE1-NH2 2.8Å; N727-R729 PolarHBondContact O-N 2.82Å; N727-R729 WeakPolarHBondContact OD1-CA 3.15Å; N727-R729 WeakPolarHBondContact OD1-CB 3.13Å; N727-R729 PolarHBondContact OD1-N 2.9Å |
| 730 | T | 92 | Very high | 88.8 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -20.9 | -177.2 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | N727 E732 | N727-T730 WeakPolarHBondContact CB-OG1 3.47Å; N727-T730 PolarHBondContact O-N 2.72Å; N727-T730 PolarHBondContact OD1-N 3.21Å; N727-T730 VanDerWaalsContact OD1-N 3.15Å; T730-E732 PolarHBondContact O-N 3.01Å; T730-E732 WeakPolarHBondContact OG1-CB 3.3Å; T730-E732 WeakPolarHBondContact OG1-CG 3.48Å; T730-E732 PolarHBondContact OG1-N 2.72Å |
| 731 | G | 91.5 | Very high | 88.7 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | trans | 77.8 | -4.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | T564 C567 N727 | T564-G731 VanDerWaalsContact CB-O 3.23Å; T564-G731 WeakPolarHBondContact CB-O 3.47Å; T564-G731 WeakPolarHBondContact CG2-O 3.44Å; C567-G731 VanDerWaalsContact SG-CA 3.57Å; N727-G731 WeakPolarHBondContact O-CA 3.49Å; N727-G731 PolarHBondContact O-N 2.72Å | ||
| 732 | E | 92.3 | Very high | 88.7 | Confident | 138 Ų | 138 | 48.5 Ų | 48.5 | 65% | 0.645 | 25% | 0.25 | S | S | * | . | trans | -67 | 138.2 | -179 | -66.7 | 176.5 | 162.4 | 0 | 0 | 111.6 | I726 N727 T730 | I726-E732 WeakPolarHBondContact CA-O 3.43Å; N727-E732 PolarHBondContact N-O 2.94Å; T730-E732 PolarHBondContact O-N 3.01Å; T730-E732 WeakPolarHBondContact OG1-CB 3.3Å; T730-E732 WeakPolarHBondContact OG1-CG 3.48Å; T730-E732 PolarHBondContact OG1-N 2.72Å | ||
| 733 | R | 90.4 | Very high | 88.5 | Confident | 131 Ų | 131 | 53.3 Ų | 53.3 | 49% | 0.494 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -98.4 | 121.8 | 178.8 | -175.9 | 179.9 | -67.9 | 179.2 | 3.8 | 110.5 | K561 C725 | K561-R733 PolarHBondContact O-NH2 3.13Å; C725-R733 HydrophobicContact CB-CG 4.2Å; C725-R733 CarbonylContact O-C 3.56Å; C725-R733 WeakPolarHBondContact O-CA 3.34Å |
| 734 | S | 87 | Confident | 88 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | trans | -127.2 | 124.2 | 169.9 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | C725 E736 | C725-S734 VanDerWaalsContact CA-O 3.25Å; C725-S734 WeakPolarHBondContact CA-O 3.4Å; C725-S734 WeakPolarHBondContact CB-O 3.32Å; C725-S734 PolarHBondContact O-N 3.37Å; S734-E736 PolarHBondContact O-N 3.06Å; S734-E736 VanDerWaalsContact O-N 3.15Å; S734-E736 VanDerWaalsContact OG-CB 3.31Å; S734-E736 WeakPolarHBondContact OG-CB 3.14Å; S734-E736 PolarHBondContact OG-N 3.38Å | ||
| 735 | P | 86.7 | Confident | 87.4 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.9 | 179.1 | 30.7 | -35.7 | 0 | 0 | 0 | 113.4 | T737 L738 T739 | P735-T737 VanDerWaalsContact C-N 3.29Å; P735-T737 PolarHBondContact O-N 3.47Å; P735-L738 PolarHBondContact O-N 3.02Å; P735-T739 PolarHBondContact O-N 3.48Å; P735-T739 VanDerWaalsContact O-N 3.15Å |
| 736 | E | 85.6 | Confident | 86.7 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51.8 | -45.8 | -172.1 | -169.1 | -176.7 | -178.5 | 0 | 0 | 112.4 | F674 S734 L738 T739 T740 | F674-E736 HydrophobicContact CE1-CG 4.15Å; S734-E736 PolarHBondContact O-N 3.06Å; S734-E736 VanDerWaalsContact O-N 3.15Å; S734-E736 VanDerWaalsContact OG-CB 3.31Å; S734-E736 WeakPolarHBondContact OG-CB 3.14Å; S734-E736 PolarHBondContact OG-N 3.38Å; E736-L738 VanDerWaalsContact C-N 3.31Å; E736-L738 PolarHBondContact O-N 3.32Å; E736-T739 WeakPolarHBondContact CA-OG1 3.5Å; E736-T739 PolarHBondContact O-N 2.83Å; E736-T739 VanDerWaalsContact O-N 3.14Å; E736-T739 PolarHBondContact O-OG1 3.21Å; E736-T740 WeakPolarHBondContact O-CB 3.15Å; E736-T740 PolarHBondContact O-N 3.17Å; E736-T740 PolarHBondContact O-OG1 2.92Å |
| 737 | T | 85.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.3 | -45.3 | -176.8 | -46.1 | 0 | 0 | 0 | 0 | 112.5 | F674 F685 I724 P735 I741 | F674-T737 HydrophobicContact CE2-CG2 4.1Å; F674-T737 HydrophobicContact CZ-CG2 3.79Å; F685-T737 HydrophobicContact CZ-CG2 4.16Å; I724-T737 HydrophobicContact CB-CG2 4.49Å; I724-T737 HydrophobicContact CD1-CG2 3.98Å; I724-T737 HydrophobicContact CG1-CG2 4.29Å; P735-T737 VanDerWaalsContact C-N 3.29Å; P735-T737 PolarHBondContact O-N 3.47Å; T737-I741 HydrophobicContact CG2-CD1 4.26Å; T737-I741 WeakPolarHBondContact O-CD1 3.46Å; T737-I741 WeakPolarHBondContact O-CG1 3.06Å; T737-I741 PolarHBondContact O-N 3.31Å; T737-I741 VanDerWaalsContact O-N 3.16Å |
| 738 | L | 86.5 | Confident | 85.1 | Confident | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74 | -36.7 | -178.7 | -171.6 | 136.9 | 0 | 0 | 0 | 111.7 | I724 P735 E736 S742 M749 | I724-L738 HydrophobicContact CD1-CB 4.33Å; I724-L738 HydrophobicContact CG1-CB 4.49Å; P735-L738 PolarHBondContact O-N 3.02Å; E736-L738 VanDerWaalsContact C-N 3.31Å; E736-L738 PolarHBondContact O-N 3.32Å; L738-S742 WeakPolarHBondContact O-CB 3.36Å; L738-S742 PolarHBondContact O-N 2.91Å; L738-M749 HydrophobicContact CD1-SD 4.03Å; L738-M749 HydrophobicContact CD2-SD 3.64Å; L738-M749 HydrophobicContact CG-CG 4.49Å; L738-M749 HydrophobicContact CG-SD 3.96Å |
| 739 | T | 86.7 | Confident | 84.6 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | P735 E736 S742 R743 | P735-T739 PolarHBondContact O-N 3.48Å; P735-T739 VanDerWaalsContact O-N 3.15Å; E736-T739 WeakPolarHBondContact CA-OG1 3.5Å; E736-T739 PolarHBondContact O-N 2.83Å; E736-T739 VanDerWaalsContact O-N 3.14Å; E736-T739 PolarHBondContact O-OG1 3.21Å; T739-S742 PolarHBondContact O-N 2.93Å; T739-R743 WeakPolarHBondContact O-CB 3.27Å; T739-R743 PolarHBondContact O-N 3.28Å |
| 740 | T | 85.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | L672 F674 E736 R743 L744 | L672-T740 HydrophobicContact CB-CG2 4.35Å; L672-T740 HydrophobicContact CD2-CG2 4.35Å; F674-T740 HydrophobicContact CE1-CG2 4.42Å; F674-T740 HydrophobicContact CZ-CG2 4.07Å; E736-T740 WeakPolarHBondContact O-CB 3.15Å; E736-T740 PolarHBondContact O-N 3.17Å; E736-T740 PolarHBondContact O-OG1 2.92Å; T740-R743 PolarHBondContact O-N 3.41Å; T740-L744 HydrophobicContact CG2-CD1 3.93Å; T740-L744 WeakPolarHBondContact O-CG 3.38Å; T740-L744 PolarHBondContact O-N 2.72Å |
| 741 | I | 85.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.2 | -67.3 | 163.6 | 0 | 0 | 0 | 110.9 | L672 F685 I724 T737 R743 L744 Q745 F751 | L672-I741 HydrophobicContact CD1-CG1 4.21Å; L672-I741 HydrophobicContact CD2-CG1 4.08Å; F685-I741 HydrophobicContact CE1-CD1 3.58Å; F685-I741 HydrophobicContact CZ-CD1 3.93Å; I724-I741 HydrophobicContact CD1-CD1 3.43Å; I724-I741 VanDerWaalsContact CD1-CD1 3.43Å; T737-I741 HydrophobicContact CG2-CD1 4.26Å; T737-I741 WeakPolarHBondContact O-CD1 3.46Å; T737-I741 WeakPolarHBondContact O-CG1 3.06Å; T737-I741 PolarHBondContact O-N 3.31Å; T737-I741 VanDerWaalsContact O-N 3.16Å; I741-R743 VanDerWaalsContact C-N 3.29Å; I741-R743 PolarHBondContact O-N 2.72Å; I741-L744 PolarHBondContact O-N 2.76Å; I741-Q745 WeakPolarHBondContact O-CB 3.21Å; I741-Q745 PolarHBondContact O-N 2.69Å; I741-F751 HydrophobicContact CD1-CB 4.31Å; I741-F751 HydrophobicContact CD1-CD2 4.13Å; I741-F751 HydrophobicContact CD1-CG 4.32Å; I741-F751 HydrophobicContact CG1-CD2 4.05Å; I741-F751 HydrophobicContact CG2-CD2 4.36Å |
| 742 | S | 84.7 | Confident | 84.5 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | L738 T739 K746 G747 | L738-S742 WeakPolarHBondContact O-CB 3.36Å; L738-S742 PolarHBondContact O-N 2.91Å; T739-S742 PolarHBondContact O-N 2.93Å; S742-K746 PolarHBondContact O-N 3.07Å; S742-G747 WeakPolarHBondContact O-CA 3.49Å; S742-G747 PolarHBondContact O-N 2.93Å |
| 743 | R | 82.4 | Confident | 84.6 | Confident | 180 Ų | 180 | 65.8 Ų | 65.8 | 68% | 0.679 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.9 | -50.1 | 175.5 | -177.5 | 179.3 | 64.6 | -161.2 | -1.7 | 112 | T739 T740 I741 Q745 | T739-R743 WeakPolarHBondContact O-CB 3.27Å; T739-R743 PolarHBondContact O-N 3.28Å; T740-R743 PolarHBondContact O-N 3.41Å; I741-R743 VanDerWaalsContact C-N 3.29Å; I741-R743 PolarHBondContact O-N 2.72Å; R743-Q745 PolarHBondContact O-N 2.91Å |
| 744 | L | 76.5 | Confident | 84.9 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 42% | 0.424 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.9 | -31.3 | -175.9 | -70.4 | 172.5 | 0 | 0 | 0 | 113.1 | L672 T740 I741 | L672-L744 HydrophobicContact CD2-CD1 3.46Å; L672-L744 VanDerWaalsContact CD2-CD1 3.46Å; T740-L744 HydrophobicContact CG2-CD1 3.93Å; T740-L744 WeakPolarHBondContact O-CG 3.38Å; T740-L744 PolarHBondContact O-N 2.72Å; I741-L744 PolarHBondContact O-N 2.76Å |
| 745 | Q | 74.7 | Confident | 85.2 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 28 | -179.7 | -66.5 | -158.2 | -0.5 | 0 | 0 | 114 | I741 R743 G747 R748 R750 | I741-Q745 WeakPolarHBondContact O-CB 3.21Å; I741-Q745 PolarHBondContact O-N 2.69Å; R743-Q745 PolarHBondContact O-N 2.91Å; Q745-G747 VanDerWaalsContact C-N 3.31Å; Q745-G747 PolarHBondContact O-N 3.04Å; Q745-R748 HydrophobicContact CB-CB 4.34Å; Q745-R748 VanDerWaalsContact CB-O 3.22Å; Q745-R748 WeakPolarHBondContact CB-O 3.47Å; Q745-R748 WeakPolarHBondContact O-CB 3.5Å; Q745-R748 PolarHBondContact O-N 3.09Å; Q745-R748 PolarHBondContact OE1-O 3.03Å; Q745-R750 PolarHBondContact NE2-O 2.56Å; Q745-R750 PolarHBondContact OE1-O 2.96Å |
| 746 | K | 77.2 | Confident | 85.5 | Confident | 199 Ų | 199 | 55.4 Ų | 55.4 | 87% | 0.865 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 45.6 | 173 | -55.7 | -179.2 | -179.6 | -179.9 | 0 | 112.9 | S742 | S742-K746 PolarHBondContact O-N 3.07Š|
| 747 | G | 75.6 | Confident | 85.8 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -4.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S742 Q745 | S742-G747 WeakPolarHBondContact O-CA 3.49Å; S742-G747 PolarHBondContact O-N 2.93Å; Q745-G747 VanDerWaalsContact C-N 3.31Å; Q745-G747 PolarHBondContact O-N 3.04Å |
| 748 | R | 75.9 | Confident | 86 | Confident | 158 Ų | 158 | 55.4 Ų | 55.4 | 60% | 0.596 | 27% | 0.265 | S | S | * | . | trans | -88.3 | 122.7 | 177 | -63 | -178.2 | 178.4 | 177.4 | 0.1 | 110.1 | Q745 R750 | Q745-R748 HydrophobicContact CB-CB 4.34Å; Q745-R748 VanDerWaalsContact CB-O 3.22Å; Q745-R748 WeakPolarHBondContact CB-O 3.47Å; Q745-R748 WeakPolarHBondContact O-CB 3.5Å; Q745-R748 PolarHBondContact O-N 3.09Å; Q745-R748 PolarHBondContact OE1-O 3.03Å; R748-R750 VanDerWaalsContact C-N 3.28Å; R748-R750 HydrophobicContact CB-CG 4.48Å; R748-R750 PolarHBondContact O-N 3.31Å; R748-R750 VanDerWaalsContact O-N 3.07Å | ||
| 749 | M | 83.5 | Confident | 85.7 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | trans | -86 | 64 | 176.7 | -61.1 | 179.3 | -69.4 | 0 | 0 | 110.8 | Q719 R720 L738 | Q719-M749 CarbonylContact C-O 3.58Å; Q719-M749 WeakPolarHBondContact CA-O 3.37Å; R720-M749 PolarHBondContact N-O 2.82Å; L738-M749 HydrophobicContact CD1-SD 4.03Å; L738-M749 HydrophobicContact CD2-SD 3.64Å; L738-M749 HydrophobicContact CG-CG 4.49Å; L738-M749 HydrophobicContact CG-SD 3.96Å | ||
| 750 | R | 87.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.7 | -179.1 | -62 | 174.4 | -175.4 | -176.2 | -0.2 | 110.6 | P717 C718 Q719 Q745 R748 | P717-R750 HydrophobicContact CB-CB 4.18Å; P717-R750 HydrophobicContact CB-CG 4.48Å; C718-R750 CarbonylContact O-C 3.59Å; C718-R750 VanDerWaalsContact O-CA 3.24Å; C718-R750 WeakPolarHBondContact O-CA 3.37Å; Q719-R750 HydrophobicContact CG-CG 4.26Å; Q745-R750 PolarHBondContact NE2-O 2.56Å; Q745-R750 PolarHBondContact OE1-O 2.96Å; R748-R750 VanDerWaalsContact C-N 3.28Å; R748-R750 HydrophobicContact CB-CG 4.48Å; R748-R750 PolarHBondContact O-N 3.31Å; R748-R750 VanDerWaalsContact O-N 3.07Å |
| 751 | F | 91 | Very high | 83.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 131.1 | 177.1 | -153.7 | -87.8 | 0 | 0 | 0 | 111.6 | L664 S668 V669 L672 F685 F697 C718 R720 I741 | L664-F751 HydrophobicContact CD1-CD1 3.48Å; L664-F751 VanDerWaalsContact CD1-CD1 3.48Å; L664-F751 HydrophobicContact CD1-CE1 3.5Å; L664-F751 HydrophobicContact CG-CE1 4.46Å; S668-F751 VanDerWaalsContact C-CZ 3.5Å; V669-F751 HydrophobicContact CG2-CE1 3.72Å; V669-F751 HydrophobicContact CG2-CZ 4.12Å; L672-F751 HydrophobicContact CD1-CD2 4.47Å; L672-F751 HydrophobicContact CD1-CE2 3.71Å; L672-F751 HydrophobicContact CD1-CZ 3.73Å; L672-F751 HydrophobicContact CD2-CE2 3.81Å; L672-F751 HydrophobicContact CD2-CZ 4.47Å; L672-F751 HydrophobicContact CG-CE2 4.02Å; L672-F751 HydrophobicContact CG-CZ 4.19Å; F685-F751 HydrophobicContact CD1-CB 4.18Å; F685-F751 AromaticContact CD1-CD1 3.45Å; F685-F751 HydrophobicContact CD1-CD1 3.45Å; F685-F751 VanDerWaalsContact CD1-CD1 3.45Å; F685-F751 HydrophobicContact CD1-CE1 4.09Å; F685-F751 AromaticContact CD1-CG 4Å; F685-F751 HydrophobicContact CD1-CG 4Å; F685-F751 HydrophobicContact CD2-CE1 4.44Å; F685-F751 HydrophobicContact CE1-CB 3.91Å; F685-F751 AromaticContact CE1-CD1 3.3Å; F685-F751 HydrophobicContact CE1-CD1 3.3Å; F685-F751 HydrophobicContact CE1-CD2 4.22Å; F685-F751 AromaticContact CE1-CE1 3.81Å; F685-F751 HydrophobicContact CE1-CE1 3.81Å; F685-F751 AromaticContact CE1-CG 3.52Å; F685-F751 HydrophobicContact CE1-CG 3.52Å; F685-F751 HydrophobicContact CE1-CZ 4.42Å; F685-F751 HydrophobicContact CE2-CD1 4.45Å; F685-F751 HydrophobicContact CE2-CE1 4.19Å; F685-F751 HydrophobicContact CG-CD1 4.11Å; F685-F751 HydrophobicContact CG-CE1 4.4Å; F685-F751 AromaticContact CZ-CD1 3.87Å; F685-F751 HydrophobicContact CZ-CD1 3.87Å; F685-F751 AromaticContact CZ-CE1 3.88Å; F685-F751 HydrophobicContact CZ-CE1 3.88Å; F685-F751 HydrophobicContact CZ-CG 4.22Å; F685-F751 HydrophobicContact CZ-CZ 4.23Å; F697-F751 HydrophobicContact CE1-CD2 4.05Å; F697-F751 AromaticContact CE1-CE2 3.53Å; F697-F751 HydrophobicContact CE1-CE2 3.53Å; F697-F751 HydrophobicContact CE1-CZ 4.33Å; F697-F751 HydrophobicContact CZ-CE2 4.1Å; C718-F751 WeakPolarHBondContact CB-O 3.4Å; C718-F751 PolarHBondContact O-N 3.42Å; R720-F751 HydrophobicContact CG-CB 3.74Å; R720-F751 PolarHBondContact NE-O 2.83Å; R720-F751 PolarHBondContact NH2-O 3.18Å; I741-F751 HydrophobicContact CD1-CB 4.31Å; I741-F751 HydrophobicContact CD1-CD2 4.13Å; I741-F751 HydrophobicContact CD1-CG 4.32Å; I741-F751 HydrophobicContact CG1-CD2 4.05Å; I741-F751 HydrophobicContact CG2-CD2 4.36Å |
| 752 | G | 93 | Very high | 82.1 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.5 | 173.6 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | L663 P717 C718 | L663-G752 WeakPolarHBondContact O-CA 3.42Å; P717-G752 WeakPolarHBondContact CA-O 3.43Å; C718-G752 PolarHBondContact N-O 3.1Å |
| 753 | I | 94.8 | Very high | 80.3 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.9 | -175.7 | 60.7 | 171.5 | 0 | 0 | 0 | 111.5 | L663 E699 L700 Y702 V714 G716 I755 | L663-I753 HydrophobicContact CB-CG1 3.96Å; L663-I753 HydrophobicContact CD2-CD1 4.06Å; L663-I753 HydrophobicContact CD2-CG1 3.87Å; L663-I753 HydrophobicContact CG-CG1 4.44Å; L663-I753 PolarHBondContact N-O 2.92Å; L663-I753 PolarHBondContact O-N 3.33Å; E699-I753 HydrophobicContact CB-CD1 4.12Å; E699-I753 HydrophobicContact CB-CG1 4.43Å; E699-I753 HydrophobicContact CG-CG1 4.48Å; E699-I753 HydrophobicContact CG-CG2 4.15Å; E699-I753 WeakPolarHBondContact O-CG2 3.18Å; L700-I753 HydrophobicContact CD2-CG2 3.89Å; Y702-I753 HydrophobicContact CD2-CD1 4.09Å; V714-I753 HydrophobicContact CG1-CB 4.25Å; V714-I753 HydrophobicContact CG1-CD1 4.01Å; V714-I753 HydrophobicContact CG2-CD1 4.07Å; G716-I753 WeakPolarHBondContact O-CA 3.32Å; I753-I755 HydrophobicContact CD1-CG2 3.83Å; I753-I755 HydrophobicContact CG1-CG2 3.99Å |
| 754 | Y | 95.5 | Very high | 78.6 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.6 | 169.2 | -72.6 | -56.2 | 0 | 0 | 0 | 110.3 | Q658 A659 L662 E715 G716 C718 | Q658-Y754 HydrophobicContact CB-CD2 4.22Å; Q658-Y754 HydrophobicContact CB-CE1 4.25Å; Q658-Y754 HydrophobicContact CB-CE2 3.8Å; Q658-Y754 HydrophobicContact CG-CE2 4.35Å; Q658-Y754 PolarHBondContact OE1-OH 3.18Å; A659-Y754 HydrophobicContact CB-CD1 3.85Å; A659-Y754 HydrophobicContact CB-CG 3.91Å; L662-Y754 HydrophobicContact CD1-CD1 4.22Å; L662-Y754 HydrophobicContact CD1-CE1 4.16Å; E715-Y754 PolarHBondContact N-O 3.45Å; G716-Y754 PolarHBondContact O-N 3.5Å; C718-Y754 VanDerWaalsContact CA-CE2 3.47Å; C718-Y754 HydrophobicContact CB-CD2 4.05Å; C718-Y754 HydrophobicContact CB-CE1 4.19Å; C718-Y754 HydrophobicContact CB-CE2 3.6Å; C718-Y754 PolarHBondContact SG-OH 2.95Å |
| 755 | I | 94.7 | Very high | 77.3 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 147.7 | 177.3 | 70.6 | 174.9 | 0 | 0 | 0 | 110.6 | F661 L663 I689 L705 F712 Q713 V714 I753 | F661-I755 HydrophobicContact CB-CD1 4.46Å; F661-I755 HydrophobicContact CB-CG1 3.79Å; F661-I755 HydrophobicContact CD2-CG1 4.39Å; F661-I755 HydrophobicContact CG-CG1 4.48Å; F661-I755 PolarHBondContact N-O 3.46Å; F661-I755 VanDerWaalsContact N-O 3.09Å; F661-I755 PolarHBondContact O-N 2.93Å; L663-I755 HydrophobicContact CB-CD1 4.07Å; L663-I755 HydrophobicContact CB-CG1 4.44Å; L663-I755 HydrophobicContact CB-CG2 4.39Å; L663-I755 HydrophobicContact CD1-CD1 3.89Å; I689-I755 HydrophobicContact CD1-CD1 3.89Å; L705-I755 HydrophobicContact CD1-CD1 4.45Å; L705-I755 HydrophobicContact CD2-CB 4.38Å; L705-I755 HydrophobicContact CD2-CD1 4.29Å; L705-I755 HydrophobicContact CD2-CG2 3.86Å; F712-I755 HydrophobicContact CB-CB 4.28Å; F712-I755 HydrophobicContact CB-CD1 4.18Å; F712-I755 HydrophobicContact CD1-CD1 3.85Å; F712-I755 HydrophobicContact CD1-CG1 4.1Å; F712-I755 HydrophobicContact CE1-CD1 4.38Å; F712-I755 HydrophobicContact CG-CD1 3.96Å; Q713-I755 VanDerWaalsContact O-CA 3.29Å; Q713-I755 WeakPolarHBondContact O-CA 3.31Å; V714-I755 HydrophobicContact CG2-CG2 4.08Å; I753-I755 HydrophobicContact CD1-CG2 3.83Å; I753-I755 HydrophobicContact CG1-CG2 3.99Å |
| 756 | T | 93.1 | Very high | 76.1 | Confident | 4 Ų | 4 | 89 Ų | 89 | 3% | 0.025 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.6 | -178.4 | -55.4 | 0 | 0 | 0 | 0 | 108.9 | Q660 F712 Q713 E715 I758 | Q660-T756 HydrophobicContact CG-CG2 4.26Å; F712-T756 CarbonylContact C-O 3.54Å; F712-T756 VanDerWaalsContact CA-O 3.27Å; F712-T756 WeakPolarHBondContact CA-O 3.3Å; Q713-T756 PolarHBondContact N-O 3.4Å; Q713-T756 PolarHBondContact O-N 3.42Å; E715-T756 WeakPolarHBondContact CG-OG1 3.12Å; E715-T756 WeakPolarHBondContact OE1-CB 3.46Å; E715-T756 PolarHBondContact OE1-OG1 3.12Å; T756-I758 PolarHBondContact O-N 2.87Å |
| 757 | R | 91.8 | Very high | 75.1 | Confident | 35 Ų | 35 | 85.5 Ų | 85.5 | 13% | 0.132 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.4 | 177.3 | -174.4 | -178.2 | 70.9 | 173.5 | -2.4 | 109.8 | D539 F661 I710 Q711 F712 P759 Q770 | D539-R757 IonicContact OD1-NH2 3.53Å; D539-R757 PolarHBondContact OD1-NH2 3.39Å; F661-R757 HydrophobicContact CE2-CB 4.24Å; I710-R757 HydrophobicContact CG2-CG 3.94Å; Q711-R757 WeakPolarHBondContact O-CA 3.39Å; F712-R757 HydrophobicContact CD1-CB 4.13Å; F712-R757 HydrophobicContact CE1-CB 4Å; F712-R757 HydrophobicContact CE1-CG 4.46Å; R757-P759 WeakPolarHBondContact O-CD 3.27Å; R757-Q770 VanDerWaalsContact NH1-OE1 3.15Å |
| 758 | I | 88.8 | Confident | 74.6 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 35% | 0.354 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 121.9 | 171 | -59.6 | 173.5 | 0 | 0 | 0 | 107.5 | Q711 Q713 T756 Q760 | Q711-I758 HydrophobicContact CB-CB 4.24Å; Q711-I758 HydrophobicContact CB-CD1 4.37Å; Q711-I758 PolarHBondContact O-N 2.87Å; Q713-I758 HydrophobicContact CB-CD1 4.2Å; Q713-I758 HydrophobicContact CB-CG1 4.08Å; T756-I758 PolarHBondContact O-N 2.87Å; I758-Q760 PolarHBondContact O-N 3.36Å |
| 759 | P | 80.2 | Confident | 74.7 | Confident | 101 Ų | 101 | 88.7 Ų | 88.7 | 66% | 0.656 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 128 | 175.3 | -20.7 | 32 | 0 | 0 | 0 | 110.4 | R757 | R757-P759 WeakPolarHBondContact O-CD 3.27Š|
| 760 | Q | 69.9 | Low | 75 | Confident | 101 Ų | 101 | 87.7 Ų | 87.7 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 120.3 | 168.7 | -71.5 | 179.8 | -9 | 0 | 0 | 108.1 | G709 I758 T762 | G709-Q760 PolarHBondContact O-NE2 3.32Å; I758-Q760 PolarHBondContact O-N 3.36Å; Q760-T762 PolarHBondContact O-N 3.37Å; Q760-T762 PolarHBondContact O-OG1 3.36Å |
| 761 | D | 58.1 | Low | 75.2 | Confident | 166 Ų | 166 | 87.8 Ų | 87.8 | 89% | 0.888 | 44% | 0.44 | S | S | * | . | trans | -66.7 | 72.7 | 170.7 | -83.9 | -24.2 | 0 | 0 | 0 | 109.9 | K763 | D761-K763 PolarHBondContact O-N 3.02Š| ||
| 762 | T | 54.4 | Low | 75.3 | Confident | 99 Ų | 99 | 87.8 Ų | 87.8 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | trans | -88.7 | 107.4 | 170.7 | 24.8 | 0 | 0 | 0 | 0 | 107.8 | Q760 E764 | Q760-T762 PolarHBondContact O-N 3.37Å; Q760-T762 PolarHBondContact O-OG1 3.36Å; T762-E764 PolarHBondContact O-N 2.98Å | ||
| 763 | K | 46.9 | Very low | 75.4 | Confident | 213 Ų | 213 | 89.7 Ų | 89.7 | 93% | 0.926 | 45% | 0.452 | S | S | * | . | trans | -70.4 | 31.8 | 171.8 | -68.9 | -175.7 | 176 | 178.4 | 0 | 112.7 | D761 | D761-K763 PolarHBondContact O-N 3.02Š| ||
| 764 | E | 47 | Very low | 75.4 | Confident | 133 Ų | 133 | 89.9 Ų | 89.9 | 62% | 0.621 | 45% | 0.453 | S | S | * | . | trans | -89.9 | 136.4 | 176.1 | -69.9 | -166.9 | 171.5 | 0 | 0 | 110.4 | T762 E766 | T762-E764 PolarHBondContact O-N 2.98Å; E764-E766 PolarHBondContact O-N 2.98Å | ||
| 765 | L | 50 | Low | 75.1 | Confident | 180 Ų | 180 | 89 Ų | 89 | 94% | 0.942 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -70.1 | -8.9 | -171.8 | -84.2 | 132.9 | 0 | 0 | 0 | 114.6 | ||
| 766 | E | 49.7 | Very low | 75 | Confident | 159 Ų | 159 | 90.9 Ų | 90.9 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -133.5 | 116.8 | 172.6 | -69.9 | -170.6 | 168.8 | 0 | 0 | 109.5 | E764 K768 | E764-E766 PolarHBondContact O-N 2.98Å; E766-K768 PolarHBondContact O-N 2.93Å |
| 767 | P | 56 | Low | 74.9 | Confident | 127 Ų | 127 | 93.1 Ų | 93.1 | 83% | 0.825 | 48% | 0.479 | S | S | * | . | trans | -68.3 | 100.9 | 175.1 | 26.8 | -30.9 | 0 | 0 | 0 | 108.7 | E769 | P767-E769 PolarHBondContact O-N 3.23Š| ||
| 768 | K | 64 | Low | 74.8 | Confident | 179 Ų | 179 | 91.7 Ų | 91.7 | 78% | 0.778 | 47% | 0.474 | S | S | * | . | trans | -56.4 | 129 | 166.2 | -78.2 | 179.6 | 177.8 | 168.6 | 0 | 108.4 | E766 Q770 | E766-K768 PolarHBondContact O-N 2.93Å; K768-Q770 PolarHBondContact O-N 3.08Å | ||
| 769 | E | 79 | Confident | 74.8 | Confident | 98 Ų | 98 | 91.2 Ų | 91.2 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | trans | -59.8 | 110.2 | 176 | -166 | -178.1 | -126 | 0 | 0 | 108.3 | P536 K543 P767 H771 | P536-E769 HydrophobicContact CB-CG 3.73Å; P536-E769 WeakPolarHBondContact CB-OE2 3.46Å; K543-E769 IonicContact NZ-OE1 3.86Å; K543-E769 PolarHBondContact NZ-OE1 3.25Å; P767-E769 PolarHBondContact O-N 3.23Å; E769-H771 PolarHBondContact O-CD2 3.41Å; E769-H771 VanDerWaalsContact O-CD2 3.27Å; E769-H771 IonicContact OE2-CD2 2.74Å; E769-H771 IonicContact OE2-CE1 3.33Å; E769-H771 IonicContact OE2-NE2 3.54Å; E769-H771 PolarHBondContact OE2-NE2 3.48Å | ||
| 770 | Q | 88.5 | Confident | 75.1 | Confident | 58 Ų | 58 | 88 Ų | 88 | 27% | 0.271 | 45% | 0.451 | S | S | . | . | trans | -75.8 | 131.9 | -179.7 | -171.4 | 176.5 | 43.4 | 0 | 0 | 109.2 | L537 I710 R757 K768 | L537-Q770 WeakPolarHBondContact CB-O 3.4Å; L537-Q770 HydrophobicContact CD1-CG 4.36Å; L537-Q770 PolarHBondContact N-O 3.4Å; I710-Q770 HydrophobicContact CD1-CG 4.37Å; I710-Q770 HydrophobicContact CG1-CG 4.27Å; R757-Q770 VanDerWaalsContact NH1-OE1 3.15Å; K768-Q770 PolarHBondContact O-N 3.08Å | ||
| 771 | H | 92.5 | Very high | 75.4 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 38% | 0.384 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.5 | 179.2 | -74.7 | -148 | 0 | 0 | 0 | 109.8 | W535 E769 | W535-H771 WeakPolarHBondContact O-CA 3.28Å; E769-H771 PolarHBondContact O-CD2 3.41Å; E769-H771 VanDerWaalsContact O-CD2 3.27Å; E769-H771 IonicContact OE2-CD2 2.74Å; E769-H771 IonicContact OE2-CE1 3.33Å; E769-H771 IonicContact OE2-NE2 3.54Å; E769-H771 PolarHBondContact OE2-NE2 3.48Å |
| 772 | M | 93.6 | Very high | 76.2 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.9 | 169.8 | -172.7 | 166.8 | 65.2 | 0 | 0 | 108.6 | L513 M516 S534 W535 L537 L542 I689 I707 I710 F712 | L513-M772 HydrophobicContact CD2-CE 4.09Å; L513-M772 HydrophobicContact CD2-CG 3.53Å; L513-M772 HydrophobicContact CD2-SD 3.9Å; M516-M772 WeakPolarHBondContact CE-O 3.48Å; M516-M772 HydrophobicContact CG-CE 3.81Å; M516-M772 HydrophobicContact SD-CB 4.03Å; M516-M772 HydrophobicContact SD-CE 3.32Å; M516-M772 WeakPolarHBondContact SD-CE 3.45Å; M516-M772 HydrophobicContact SD-CG 4.09Å; S534-M772 CarbonylContact C-O 3.53Å; S534-M772 VanDerWaalsContact CA-O 3.27Å; S534-M772 WeakPolarHBondContact CA-O 3.35Å; W535-M772 PolarHBondContact N-O 2.97Å; W535-M772 PolarHBondContact O-N 2.83Å; L537-M772 HydrophobicContact CD1-CB 4.3Å; L537-M772 HydrophobicContact CD2-CB 4.4Å; L537-M772 HydrophobicContact CG-CB 4.39Å; L542-M772 HydrophobicContact CD2-CE 3.96Å; I689-M772 HydrophobicContact CD1-CE 3.78Å; I689-M772 HydrophobicContact CD1-SD 4.25Å; I689-M772 HydrophobicContact CG1-CE 3.79Å; I707-M772 HydrophobicContact CB-SD 4.4Å; I707-M772 HydrophobicContact CD1-SD 4.32Å; I707-M772 HydrophobicContact CG2-CG 4.28Å; I707-M772 HydrophobicContact CG2-SD 4.17Å; I710-M772 HydrophobicContact CD1-CB 3.89Å; I710-M772 HydrophobicContact CD1-CG 4.11Å; F712-M772 HydrophobicContact CZ-SD 4.15Å |
| 773 | T | 95.5 | Very high | 77.4 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132 | -170.3 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | S534 G775 D776 | S534-T773 WeakPolarHBondContact OG-CB 3.38Å; S534-T773 VanDerWaalsContact OG-CG2 3.25Å; S534-T773 WeakPolarHBondContact OG-CG2 3.45Å; S534-T773 PolarHBondContact OG-OG1 2.74Å; T773-G775 PolarHBondContact O-N 3Å; T773-D776 WeakPolarHBondContact CA-OD2 3.25Å; T773-D776 WeakPolarHBondContact CB-OD2 3.41Å; T773-D776 PolarHBondContact N-OD2 3.34Å; T773-D776 WeakPolarHBondContact O-CB 3.36Å; T773-D776 PolarHBondContact O-N 3.26Å |
| 774 | C | 94.2 | Very high | 79.1 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 3% | 0.027 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 125.6 | 171.5 | -69.1 | 0 | 0 | 0 | 0 | 110 | L513 I529 L531 G533 | L513-C774 CarbonylContact O-C 3.51Å; I529-C774 PolarHBondContact O-SG 3.18Å; L531-C774 HydrophobicContact CB-CB 4.15Å; G533-C774 PolarHBondContact O-N 3.35Å |
| 775 | G | 90.4 | Very high | 81 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 21% | 0.206 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 108.4 | -13.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K512 L513 T773 | K512-G775 WeakPolarHBondContact CD-O 3.32Å; L513-G775 PolarHBondContact O-N 3.06Å; T773-G775 PolarHBondContact O-N 3Å |
| 776 | D | 92.2 | Very high | 82.9 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 137.3 | 175.4 | -77.2 | -18.4 | 0 | 0 | 0 | 111.3 | K512 L513 I707 T773 | K512-D776 CarbonylContact C-O 3.52Å; K512-D776 VanDerWaalsContact CA-O 3.29Å; K512-D776 WeakPolarHBondContact CA-O 3.46Å; L513-D776 PolarHBondContact N-O 3.08Å; I707-D776 HydrophobicContact CG2-CB 3.85Å; T773-D776 WeakPolarHBondContact CA-OD2 3.25Å; T773-D776 WeakPolarHBondContact CB-OD2 3.41Å; T773-D776 PolarHBondContact N-OD2 3.34Å; T773-D776 WeakPolarHBondContact O-CB 3.36Å; T773-D776 PolarHBondContact O-N 3.26Å |
| 777 | V | 89.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 63.7 Ų | 63.7 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 136.7 | 179.1 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | R510 G708 L779 | R510-V777 HydrophobicContact CB-CG1 3.53Å; R510-V777 HydrophobicContact CG-CG1 4.22Å; G708-V777 PolarHBondContact N-O 2.99Å; G708-V777 VanDerWaalsContact N-O 3.13Å; V777-L779 HydrophobicContact CG1-CD2 3.58Å; V777-L779 HydrophobicContact CG1-CG 4.49Å |
| 778 | V | 90.7 | Very high | 87.2 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.3 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | P511 I691 L705 S706 I707 | P511-V778 HydrophobicContact CB-CB 4.26Å; P511-V778 PolarHBondContact O-N 3.32Å; I691-V778 HydrophobicContact CD1-CG1 4.47Å; I691-V778 HydrophobicContact CG2-CG2 3.81Å; L705-V778 HydrophobicContact CD1-CG1 4.04Å; S706-V778 CarbonylContact O-C 3.55Å; S706-V778 VanDerWaalsContact O-CA 3.31Å; S706-V778 WeakPolarHBondContact O-CA 3.22Å; I707-V778 HydrophobicContact CG1-CG1 4.43Å; I707-V778 HydrophobicContact CG1-CG2 4.26Å; I707-V778 HydrophobicContact CG2-CG2 4.47Å |
| 779 | L | 88.5 | Confident | 89 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132 | 177.5 | -48.3 | -172.4 | 0 | 0 | 0 | 109.4 | R510 L705 S706 V777 | R510-L779 VanDerWaalsContact CD-CD2 3.43Å; L705-L779 CarbonylContact C-O 3.57Å; L705-L779 WeakPolarHBondContact CA-O 3.41Å; L705-L779 VanDerWaalsContact CB-O 3.25Å; L705-L779 WeakPolarHBondContact CB-O 3.28Å; S706-L779 PolarHBondContact N-O 2.63Å; S706-L779 PolarHBondContact O-N 3.25Å; S706-L779 WeakPolarHBondContact OG-CB 3.41Å; V777-L779 HydrophobicContact CG1-CD2 3.58Å; V777-L779 HydrophobicContact CG1-CG 4.49Å |
| 780 | V | 85.4 | Confident | 89.8 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.3 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | L485 Y702 | L485-V780 HydrophobicContact CD1-CB 4.39Å; Y702-V780 HydrophobicContact CD1-CB 4.29Å; Y702-V780 HydrophobicContact CD1-CG1 3.35Å; Y702-V780 HydrophobicContact CD1-CG2 3.91Å; Y702-V780 HydrophobicContact CD2-CG1 4.47Å; Y702-V780 HydrophobicContact CD2-CG2 4.14Å; Y702-V780 HydrophobicContact CE1-CB 4.17Å; Y702-V780 HydrophobicContact CE1-CG1 3.67Å; Y702-V780 HydrophobicContact CE1-CG2 3.43Å; Y702-V780 VanDerWaalsContact CE1-CG2 3.43Å; Y702-V780 HydrophobicContact CE2-CG2 3.69Å; Y702-V780 HydrophobicContact CG-CG1 3.81Å; Y702-V780 HydrophobicContact CG-CG2 4.25Å |
| 781 | E | 76.7 | Confident | 89.9 | Confident | 157 Ų | 157 | 44.8 Ų | 44.8 | 73% | 0.734 | 24% | 0.242 | S | C | * | . | trans | -96.2 | 0 | 178.1 | -65 | -172.7 | 173.8 | 0 | 0 | 112.4 | A704 Q711 | A704-E781 HydrophobicContact CB-CB 4.08Å; A704-E781 PolarHBondContact O-N 2.94Å; Q711-E781 PolarHBondContact NE2-OE1 3.08Å; Q711-E781 PolarHBondContact OE1-OE1 2.88Å; Q711-E781 VanDerWaalsContact OE1-OE1 3.13Å |
Retrieved 781 of 781 residues in 299.8 ms
(Link to these results)