| 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 | 47.9 | Very low | 83.6 | Confident | 201 Ų | 201 | 88.5 Ų | 88.5 | 99% | 0.99 | 43% | 0.434 | S | S | * | . | 0 | 134.3 | 0 | -83.8 | 177.5 | -91.1 | 0 | 0 | 108.2 | E274 | M1-E274 WeakPolarHBondContact CE-OE1 3.42Š| |||
| 2 | E | 59.4 | Low | 84.6 | Confident | 170 Ų | 170 | 85.8 Ų | 85.8 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | trans | -68 | 130.8 | 178.4 | -163.2 | 170.2 | -168.8 | 0 | 0 | 109 | T4 | E2-T4 PolarHBondContact O-N 3.12Å; E2-T4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | N | 69.5 | Low | 85.5 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | trans | -64.7 | 117.9 | -178 | -171.9 | -27.9 | 0 | 0 | 0 | 109.5 | R5 C6 K321 | N3-R5 PolarHBondContact OD1-N 2.91Å; N3-C6 PolarHBondContact ND2-SG 3.35Å; N3-C6 PolarHBondContact OD1-N 2.7Å; N3-K321 PolarHBondContact O-NZ 3.25Å | ||
| 4 | T | 82.3 | Confident | 86.2 | Confident | 97 Ų | 97 | 82.1 Ų | 82.1 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -83.6 | -14.2 | -176.5 | 57 | 0 | 0 | 0 | 0 | 112.9 | E2 K321 | E2-T4 PolarHBondContact O-N 3.12Å; E2-T4 VanDerWaalsContact O-N 3.15Å; T4-K321 WeakPolarHBondContact O-CD 3.49Å |
| 5 | R | 90.2 | Very high | 86.7 | Confident | 89 Ų | 89 | 91.5 Ų | 91.5 | 34% | 0.336 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -93.9 | -33.6 | -174.1 | -61.1 | -67 | -174.9 | 149.8 | 1.3 | 113.4 | N3 N275 K321 | N3-R5 PolarHBondContact OD1-N 2.91Å; R5-N275 PolarHBondContact NH2-OD1 3.44Å; R5-N275 VanDerWaalsContact NH2-OD1 3.11Å; R5-K321 PolarHBondContact O-N 3.18Å |
| 6 | C | 93.7 | Very high | 87 | Confident | 10 Ų | 10 | 89.1 Ų | 89.1 | 7% | 0.068 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 158.8 | -178 | 73.3 | 0 | 0 | 0 | 0 | 112.8 | N3 K317 L319 L320 K321 | N3-C6 PolarHBondContact ND2-SG 3.35Å; N3-C6 PolarHBondContact OD1-N 2.7Å; C6-K317 WeakPolarHBondContact CB-O 3.34Å; C6-L319 CarbonylContact C-O 3.46Å; C6-L319 VanDerWaalsContact CA-O 3.24Å; C6-L319 WeakPolarHBondContact CA-O 3.28Å; C6-L319 VanDerWaalsContact CB-O 3.29Å; C6-L319 WeakPolarHBondContact CB-O 3.44Å; C6-L320 HydrophobicContact CB-CD2 4.47Å; C6-K321 WeakPolarHBondContact O-CE 3.31Å |
| 7 | F | 94.7 | Very high | 87 | Confident | 13 Ų | 13 | 87.8 Ų | 87.8 | 6% | 0.057 | 45% | 0.45 | C | S | . | . | trans | -76.5 | 155.6 | 164.6 | -59.7 | -89.9 | 0 | 0 | 0 | 109.6 | N9 L319 K321 F359 E364 F365 | F7-N9 PolarHBondContact O-N 2.97Å; F7-L319 HydrophobicContact CB-CB 4.12Å; F7-L319 VanDerWaalsContact CD2-O 3.31Å; F7-L319 WeakPolarHBondContact CD2-O 3.4Å; F7-L319 PolarHBondContact N-O 2.91Å; F7-K321 HydrophobicContact CD1-CG 4.28Å; F7-K321 HydrophobicContact CD2-CG 3.75Å; F7-K321 HydrophobicContact CE1-CG 4.14Å; F7-K321 HydrophobicContact CE2-CB 4.17Å; F7-K321 HydrophobicContact CE2-CG 3.59Å; F7-K321 HydrophobicContact CG-CG 4.1Å; F7-K321 HydrophobicContact CZ-CG 3.8Å; F7-F359 HydrophobicContact CB-CE1 4.45Å; F7-F359 HydrophobicContact CB-CE2 4.45Å; F7-F359 HydrophobicContact CB-CZ 3.73Å; F7-F359 HydrophobicContact CD1-CZ 4.07Å; F7-F359 AromaticContact CD2-CE1 3.63Å; F7-F359 HydrophobicContact CD2-CE1 3.63Å; F7-F359 AromaticContact CD2-CZ 3.46Å; F7-F359 HydrophobicContact CD2-CZ 3.46Å; F7-F359 VanDerWaalsContact CD2-CZ 3.46Å; F7-F359 HydrophobicContact CE2-CE1 4.02Å; F7-F359 AromaticContact CE2-CZ 3.98Å; F7-F359 HydrophobicContact CE2-CZ 3.98Å; F7-F359 HydrophobicContact CG-CE1 4.16Å; F7-F359 AromaticContact CG-CZ 3.51Å; F7-F359 HydrophobicContact CG-CZ 3.51Å; F7-F359 HydrophobicContact CZ-CZ 4.47Å; F7-E364 HydrophobicContact CD1-CG 3.97Å; F7-E364 HydrophobicContact CE1-CG 4.1Å; F7-F365 AromaticContact CE2-CD2 3.84Å; F7-F365 HydrophobicContact CE2-CD2 3.84Å; F7-F365 HydrophobicContact CE2-CE2 4.38Å; F7-F365 HydrophobicContact CZ-CD2 4.33Å | ||
| 8 | A | 94.5 | Very high | 87 | Confident | 60 Ų | 60 | 86.8 Ų | 86.8 | 50% | 0.496 | 45% | 0.445 | S | S | . | . | trans | -72.8 | 125.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | R10 | A8-R10 PolarHBondContact O-N 3.36Å; A8-R10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | N | 96.4 | Very high | 86.6 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 19% | 0.193 | 43% | 0.429 | C | S | . | . | trans | -73.3 | 108.1 | 172.5 | -173.3 | -2 | 0 | 0 | 0 | 110.4 | F7 F11 W315 L319 | F7-N9 PolarHBondContact O-N 2.97Å; N9-F11 WeakPolarHBondContact OD1-CB 3.46Å; N9-F11 VanDerWaalsContact OD1-CD2 3.29Å; N9-F11 WeakPolarHBondContact OD1-CD2 3.5Å; N9-F11 PolarHBondContact OD1-N 3.06Å; N9-W315 WeakPolarHBondContact CB-O 3.38Å; N9-W315 VanDerWaalsContact ND2-CD2 3.29Å; N9-W315 VanDerWaalsContact ND2-CE2 3.28Å; N9-W315 WeakPolarHBondContact ND2-CZ2 3.4Å; N9-W315 PolarHBondContact ND2-O 2.83Å; N9-L319 HydrophobicContact CB-CD1 3.91Å | ||
| 10 | R | 95.4 | Very high | 85.6 | Confident | 193 Ų | 193 | 85.7 Ų | 85.7 | 73% | 0.728 | 45% | 0.448 | S | S | * | . | trans | -100.9 | 1.1 | 179.4 | -64 | 175.7 | -179.3 | 157.7 | 0.5 | 113.3 | A8 E364 | A8-R10 PolarHBondContact O-N 3.36Å; A8-R10 VanDerWaalsContact O-N 3.15Å; R10-E364 IonicContact NH1-OE1 3.79Å | ||
| 11 | F | 95.5 | Very high | 84.3 | Confident | 44 Ų | 44 | 84.2 Ų | 84.2 | 19% | 0.193 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -72.2 | 140.8 | 177.8 | -63 | -68.8 | 0 | 0 | 0 | 110.7 | N9 W315 L319 R355 F359 | N9-F11 WeakPolarHBondContact OD1-CB 3.46Å; N9-F11 VanDerWaalsContact OD1-CD2 3.29Å; N9-F11 WeakPolarHBondContact OD1-CD2 3.5Å; N9-F11 PolarHBondContact OD1-N 3.06Å; F11-W315 HydrophobicContact CB-CH2 3.93Å; F11-W315 HydrophobicContact CB-CZ2 4.29Å; F11-L319 HydrophobicContact CE2-CD1 4.37Å; F11-R355 HydrophobicContact CB-CG 4.25Å; F11-R355 HydrophobicContact CD2-CB 4.18Å; F11-R355 HydrophobicContact CG-CB 4.27Å; F11-R355 HydrophobicContact CG-CG 4.26Å; F11-F359 HydrophobicContact CE2-CB 3.91Å; F11-F359 AromaticContact CE2-CD2 3.99Å; F11-F359 HydrophobicContact CE2-CD2 3.99Å; F11-F359 HydrophobicContact CE2-CG 4.32Å; F11-F359 HydrophobicContact CZ-CB 4.17Å; F11-F359 HydrophobicContact CZ-CD2 4.26Å |
| 12 | S | 95.4 | Very high | 85.2 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 139.6 | 166.9 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | Y351 | S12-Y351 VanDerWaalsContact O-CE1 3.28Å; S12-Y351 WeakPolarHBondContact O-CE1 3.48Å; S12-Y351 PolarHBondContact O-OH 2.88Å |
| 13 | D | 96.6 | Very high | 85.6 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -74 | 166.3 | 174.3 | -158 | 9.4 | 0 | 0 | 0 | 111.3 | R15 W315 K348 R352 | D13-R15 PolarHBondContact O-N 3.04Å; D13-W315 HydrophobicContact CB-CZ2 4.19Å; D13-K348 WeakPolarHBondContact OD2-CE 3.45Å; D13-K348 IonicContact OD2-NZ 3.3Å; D13-R352 IonicContact OD1-CZ 2.75Å; D13-R352 IonicContact OD1-NE 3.71Å; D13-R352 PolarHBondContact OD1-NE 2.95Å; D13-R352 IonicContact OD1-NH2 3.55Å; D13-R352 IonicContact OD2-CZ 2.78Å; D13-R352 IonicContact OD2-NE 3.78Å; D13-R352 IonicContact OD2-NH2 3.75Å; D13-R352 PolarHBondContact OD2-NH2 3.06Å |
| 14 | Y | 95.1 | Very high | 85.9 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 26% | 0.263 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 130.4 | -174.8 | -178.8 | -111.2 | 0 | 0 | 0 | 113.2 | G16 A17 L18 K348 Y351 | Y14-G16 VanDerWaalsContact CZ-C 3.44Å; Y14-G16 VanDerWaalsContact OH-C 3.24Å; Y14-G16 WeakPolarHBondContact OH-CA 3.3Å; Y14-G16 PolarHBondContact OH-O 3Å; Y14-A17 WeakPolarHBondContact CD2-O 3.31Å; Y14-A17 VanDerWaalsContact CE2-C 3.46Å; Y14-A17 VanDerWaalsContact CE2-N 3.32Å; Y14-A17 VanDerWaalsContact CE2-O 3.29Å; Y14-A17 WeakPolarHBondContact CE2-O 3.5Å; Y14-L18 HydrophobicContact CE2-CD2 4.45Å; Y14-K348 HydrophobicContact CD1-CB 3.89Å; Y14-K348 HydrophobicContact CD1-CG 4.43Å; Y14-K348 HydrophobicContact CG-CB 4.17Å; Y14-K348 HydrophobicContact CG-CG 4.45Å; Y14-Y351 HydrophobicContact CD2-CD1 4.33Å; Y14-Y351 AromaticContact CD2-CD2 4Å; Y14-Y351 HydrophobicContact CD2-CD2 4Å; Y14-Y351 AromaticContact CD2-CG 3.73Å; Y14-Y351 HydrophobicContact CD2-CG 3.73Å; Y14-Y351 HydrophobicContact CG-CG 4.39Å |
| 15 | R | 93.5 | Very high | 85.5 | Confident | 224 Ų | 224 | 72.4 Ų | 72.4 | 85% | 0.845 | 40% | 0.399 | S | S | * | . | trans | -119.2 | 24.4 | 178.6 | -62 | -173.1 | -179.6 | -177 | -0.9 | 113.7 | D13 | D13-R15 PolarHBondContact O-N 3.04Š| ||
| 16 | G | 91.4 | Very high | 85 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 100.5 | 3.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y14 | Y14-G16 VanDerWaalsContact CZ-C 3.44Å; Y14-G16 VanDerWaalsContact OH-C 3.24Å; Y14-G16 WeakPolarHBondContact OH-CA 3.3Å; Y14-G16 PolarHBondContact OH-O 3Å |
| 17 | A | 87.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 71 Ų | 71 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -140.3 | 144.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y14 | Y14-A17 WeakPolarHBondContact CD2-O 3.31Å; Y14-A17 VanDerWaalsContact CE2-C 3.46Å; Y14-A17 VanDerWaalsContact CE2-N 3.32Å; Y14-A17 VanDerWaalsContact CE2-O 3.29Å; Y14-A17 WeakPolarHBondContact CE2-O 3.5Å |
| 18 | L | 86 | Confident | 84.4 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 166.4 | 172.6 | -65.4 | 179.8 | 0 | 0 | 0 | 111 | Y14 L350 | Y14-L18 HydrophobicContact CE2-CD2 4.45Å; L18-L350 HydrophobicContact CD1-CD2 3.87Å; L18-L350 HydrophobicContact CD2-CB 4.24Å; L18-L350 HydrophobicContact CD2-CD2 4.31Å; L18-L350 HydrophobicContact CD2-CG 4.21Å |
| 19 | L | 79.4 | Confident | 84.3 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 14% | 0.136 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 128.2 | -178.2 | -69.9 | 172.1 | 0 | 0 | 0 | 112.2 | Q22 Y351 Q354 R355 | L19-Q22 HydrophobicContact CB-CB 4.49Å; L19-Q22 HydrophobicContact CB-CG 3.97Å; L19-Q22 HydrophobicContact CD1-CG 4.41Å; L19-Y351 HydrophobicContact CD1-CE2 4.4Å; L19-Y351 HydrophobicContact CD2-CD2 4.23Å; L19-Y351 HydrophobicContact CD2-CE2 3.52Å; L19-Y351 HydrophobicContact CG-CD2 3.89Å; L19-Y351 HydrophobicContact CG-CE2 3.69Å; L19-Q354 HydrophobicContact CD1-CB 3.81Å; L19-R355 HydrophobicContact CD1-CG 3.95Å; L19-R355 VanDerWaalsContact CD2-NH2 3.3Å |
| 20 | P | 66.8 | Low | 84 | Confident | 124 Ų | 124 | 72.7 Ų | 72.7 | 81% | 0.805 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 138.8 | 169.3 | 27.4 | -30.9 | 0 | 0 | 0 | 109.4 | ||
| 21 | G | 59.7 | Low | 83.9 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 57% | 0.567 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 8.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S23 A26 | G21-S23 PolarHBondContact O-N 2.84Å; G21-A26 WeakPolarHBondContact O-CB 3.26Å |
| 22 | Q | 66.6 | Low | 83.9 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 18% | 0.178 | 38% | 0.384 | C | S | . | . | trans | -93.1 | 34.3 | 163.2 | -68.9 | -121.5 | 4.5 | 0 | 0 | 111.3 | L19 Q354 | L19-Q22 HydrophobicContact CB-CB 4.49Å; L19-Q22 HydrophobicContact CB-CG 3.97Å; L19-Q22 HydrophobicContact CD1-CG 4.41Å; Q22-Q354 HydrophobicContact CB-CG 4.3Å; Q22-Q354 HydrophobicContact CG-CB 4.28Å; Q22-Q354 HydrophobicContact CG-CG 4.43Å; Q22-Q354 PolarHBondContact NE2-O 2.83Å | ||
| 23 | S | 67.4 | Low | 83.9 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -70.7 | 162.8 | 171.2 | 62.5 | 0 | 0 | 0 | 0 | 110 | G21 E25 A26 V27 | G21-S23 PolarHBondContact O-N 2.84Å; S23-E25 WeakPolarHBondContact CB-OE2 3.43Å; S23-E25 PolarHBondContact O-N 2.94Å; S23-E25 VanDerWaalsContact O-N 3.1Å; S23-E25 PolarHBondContact OG-OE2 2.92Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-V27 PolarHBondContact O-N 3.26Å |
| 24 | A | 75 | Confident | 83.7 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -45.4 | -41.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A26 V27 L28 L72 L393 | A24-A26 PolarHBondContact O-N 2.86Å; A24-A26 VanDerWaalsContact O-N 3.16Å; A24-V27 PolarHBondContact O-N 2.81Å; A24-L28 VanDerWaalsContact C-CD1 3.45Å; A24-L28 HydrophobicContact CB-CD1 3.55Å; A24-L28 WeakPolarHBondContact O-CB 3.19Å; A24-L28 WeakPolarHBondContact O-CD1 3.3Å; A24-L28 PolarHBondContact O-N 3.24Å; A24-L72 HydrophobicContact CB-CD1 4.26Å; A24-L393 HydrophobicContact CB-CD2 4.34Å |
| 25 | E | 75.2 | Confident | 83.8 | Confident | 159 Ų | 159 | 59 Ų | 59 | 74% | 0.743 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58 | -31.4 | -178.4 | -59.3 | 138.6 | 165.6 | 0 | 0 | 113.9 | S23 P29 | S23-E25 WeakPolarHBondContact CB-OE2 3.43Å; S23-E25 PolarHBondContact O-N 2.94Å; S23-E25 VanDerWaalsContact O-N 3.1Å; S23-E25 PolarHBondContact OG-OE2 2.92Å; E25-P29 WeakPolarHBondContact O-CD 3.39Å; E25-P29 WeakPolarHBondContact O-CG 3.29Å |
| 26 | A | 78.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -86.1 | -36 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G21 S23 A24 | G21-A26 WeakPolarHBondContact O-CB 3.26Å; S23-A26 PolarHBondContact O-N 3.34Å; A24-A26 PolarHBondContact O-N 2.86Å; A24-A26 VanDerWaalsContact O-N 3.16Å |
| 27 | V | 85.9 | Confident | 83.9 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -83.5 | -38.2 | -173.8 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | S23 A24 A30 V31 L389 L393 | S23-V27 PolarHBondContact O-N 3.26Å; A24-V27 PolarHBondContact O-N 2.81Å; V27-A30 WeakPolarHBondContact O-CB 3.48Å; V27-A30 PolarHBondContact O-N 3.34Å; V27-A30 VanDerWaalsContact O-N 3.17Å; V27-V31 HydrophobicContact CG1-CG2 4.07Å; V27-V31 WeakPolarHBondContact O-CG2 3.45Å; V27-V31 PolarHBondContact O-N 3.39Å; V27-L389 HydrophobicContact CG1-CB 4.08Å; V27-L389 HydrophobicContact CG1-CD2 4.45Å; V27-L393 HydrophobicContact CB-CD1 4.3Å; V27-L393 HydrophobicContact CB-CD2 3.94Å; V27-L393 HydrophobicContact CB-CG 4.36Å; V27-L393 HydrophobicContact CG1-CD1 4.01Å; V27-L393 HydrophobicContact CG1-CD2 4.22Å; V27-L393 HydrophobicContact CG1-CG 4.1Å; V27-L393 HydrophobicContact CG2-CD2 4.18Å |
| 28 | L | 90.8 | Very high | 84.2 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.2 | -52.2 | -176.8 | -92.9 | 118.1 | 0 | 0 | 0 | 113.2 | A24 A30 V31 V32 L72 F73 L393 | A24-L28 VanDerWaalsContact C-CD1 3.45Å; A24-L28 HydrophobicContact CB-CD1 3.55Å; A24-L28 WeakPolarHBondContact O-CB 3.19Å; A24-L28 WeakPolarHBondContact O-CD1 3.3Å; A24-L28 PolarHBondContact O-N 3.24Å; L28-A30 PolarHBondContact O-N 3.01Å; L28-V31 PolarHBondContact O-N 3.4Å; L28-V31 VanDerWaalsContact O-N 3.1Å; L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 3.27Å; L28-L72 HydrophobicContact CD1-CB 4.29Å; L28-L72 HydrophobicContact CD1-CD1 4.15Å; L28-L72 HydrophobicContact CD2-CB 4.17Å; L28-F73 HydrophobicContact CD2-CD1 4.33Å; L28-F73 HydrophobicContact CD2-CE1 3.91Å; L28-F73 HydrophobicContact CD2-CE2 4.28Å; L28-F73 HydrophobicContact CD2-CZ 3.89Å; L28-F73 HydrophobicContact CG-CE1 4.47Å; L28-F73 HydrophobicContact CG-CZ 4.05Å; L28-L393 HydrophobicContact CD1-CD1 4.37Å; L28-L393 HydrophobicContact CG-CD1 4.46Å |
| 29 | P | 91.3 | Very high | 84.5 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 178.7 | -24.5 | 34.8 | 0 | 0 | 0 | 112.8 | E25 V32 A33 | E25-P29 WeakPolarHBondContact O-CD 3.39Å; E25-P29 WeakPolarHBondContact O-CG 3.29Å; P29-V32 PolarHBondContact O-N 3.5Å; P29-A33 WeakPolarHBondContact O-CB 3.28Å; P29-A33 PolarHBondContact O-N 3.38Å |
| 30 | A | 90.3 | Very high | 85.1 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.8 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V27 L28 K34 F361 | V27-A30 WeakPolarHBondContact O-CB 3.48Å; V27-A30 PolarHBondContact O-N 3.34Å; V27-A30 VanDerWaalsContact O-N 3.17Å; L28-A30 PolarHBondContact O-N 3.01Å; A30-K34 WeakPolarHBondContact O-CD 3.29Å; A30-K34 VanDerWaalsContact O-CG 3.24Å; A30-K34 WeakPolarHBondContact O-CG 3.46Å; A30-K34 PolarHBondContact O-N 3.36Å; A30-F361 HydrophobicContact CB-CE1 3.98Å; A30-F361 HydrophobicContact CB-CZ 3.85Å |
| 31 | V | 94.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -51.4 | 172.8 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | V27 L28 A33 K34 I35 F73 V386 L389 V390 | V27-V31 HydrophobicContact CG1-CG2 4.07Å; V27-V31 WeakPolarHBondContact O-CG2 3.45Å; V27-V31 PolarHBondContact O-N 3.39Å; L28-V31 PolarHBondContact O-N 3.4Å; L28-V31 VanDerWaalsContact O-N 3.1Å; V31-A33 PolarHBondContact O-N 3.01Å; V31-K34 WeakPolarHBondContact O-CB 3.26Å; V31-K34 PolarHBondContact O-N 3.42Å; V31-K34 VanDerWaalsContact O-N 3.12Å; V31-I35 HydrophobicContact CG1-CD1 3.79Å; V31-I35 HydrophobicContact CG1-CG1 4.43Å; V31-I35 WeakPolarHBondContact O-CG1 3.34Å; V31-I35 PolarHBondContact O-N 3.03Å; V31-F73 HydrophobicContact CB-CE1 4.33Å; V31-F73 HydrophobicContact CB-CZ 3.91Å; V31-F73 HydrophobicContact CG1-CE1 3.81Å; V31-F73 HydrophobicContact CG1-CE2 4.46Å; V31-F73 HydrophobicContact CG1-CZ 3.51Å; V31-F73 HydrophobicContact CG2-CZ 4.47Å; V31-V386 HydrophobicContact CG1-CG1 3.97Å; V31-L389 HydrophobicContact CG2-CB 3.67Å; V31-L389 HydrophobicContact CG2-CD1 4.22Å; V31-V390 HydrophobicContact CG1-CG2 4.17Å |
| 32 | V | 95.5 | Very high | 87.2 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 179.9 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L28 P29 K34 I35 D36 F73 | L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 3.27Å; P29-V32 PolarHBondContact O-N 3.5Å; V32-K34 PolarHBondContact O-N 2.91Å; V32-I35 PolarHBondContact O-N 3.41Å; V32-I35 VanDerWaalsContact O-N 3.12Å; V32-D36 PolarHBondContact O-N 2.92Å; V32-F73 HydrophobicContact CG2-CE1 3.99Å |
| 33 | A | 93.5 | Very high | 87.3 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 49% | 0.488 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -32.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P29 V31 K37 | P29-A33 WeakPolarHBondContact O-CB 3.28Å; P29-A33 PolarHBondContact O-N 3.38Å; V31-A33 PolarHBondContact O-N 3.01Å; A33-K37 PolarHBondContact O-N 2.84Å; A33-K37 VanDerWaalsContact O-N 3.11Å |
| 34 | K | 93.5 | Very high | 87.3 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.1 | -42.2 | 175.4 | -75.7 | 167.9 | 179.4 | -178.6 | 0 | 112 | A30 V31 V32 D36 K37 I38 V386 L389 | A30-K34 WeakPolarHBondContact O-CD 3.29Å; A30-K34 VanDerWaalsContact O-CG 3.24Å; A30-K34 WeakPolarHBondContact O-CG 3.46Å; A30-K34 PolarHBondContact O-N 3.36Å; V31-K34 WeakPolarHBondContact O-CB 3.26Å; V31-K34 PolarHBondContact O-N 3.42Å; V31-K34 VanDerWaalsContact O-N 3.12Å; V32-K34 PolarHBondContact O-N 2.91Å; K34-D36 VanDerWaalsContact C-N 3.29Å; K34-D36 PolarHBondContact O-N 3.17Å; K34-K37 WeakPolarHBondContact O-CB 3.22Å; K34-K37 PolarHBondContact O-N 3.39Å; K34-I38 WeakPolarHBondContact O-CD1 3.3Å; K34-I38 VanDerWaalsContact O-CG1 3.26Å; K34-I38 WeakPolarHBondContact O-CG1 3.32Å; K34-I38 PolarHBondContact O-N 3.26Å; K34-V386 HydrophobicContact CB-CG2 3.72Å; K34-V386 HydrophobicContact CD-CG2 4.28Å; K34-L389 HydrophobicContact CD-CD1 4.22Å |
| 35 | I | 96.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 174.3 | -67.1 | 169.1 | 0 | 0 | 0 | 109.1 | V31 V32 K37 I38 L39 M63 L64 V67 Y80 V386 | V31-I35 HydrophobicContact CG1-CD1 3.79Å; V31-I35 HydrophobicContact CG1-CG1 4.43Å; V31-I35 WeakPolarHBondContact O-CG1 3.34Å; V31-I35 PolarHBondContact O-N 3.03Å; V32-I35 PolarHBondContact O-N 3.41Å; V32-I35 VanDerWaalsContact O-N 3.12Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.41Å; I35-I38 WeakPolarHBondContact O-CB 3.4Å; I35-I38 PolarHBondContact O-N 3.21Å; I35-I38 VanDerWaalsContact O-N 3.11Å; I35-L39 HydrophobicContact CG2-CD1 3.78Å; I35-L39 HydrophobicContact CG2-CG 4.16Å; I35-L39 WeakPolarHBondContact O-CG 3.41Å; I35-L39 PolarHBondContact O-N 2.73Å; I35-M63 HydrophobicContact CD1-SD 4.41Å; I35-M63 HydrophobicContact CG1-CE 4.42Å; I35-M63 HydrophobicContact CG1-SD 3.95Å; I35-L64 HydrophobicContact CG2-CD2 3.84Å; I35-V67 HydrophobicContact CD1-CB 4.46Å; I35-V67 HydrophobicContact CD1-CG1 3.97Å; I35-V67 HydrophobicContact CD1-CG2 3.97Å; I35-Y80 HydrophobicContact CD1-CE1 4.43Å; I35-Y80 HydrophobicContact CD1-CE2 4.06Å; I35-Y80 HydrophobicContact CG2-CE1 3.93Å; I35-V386 HydrophobicContact CD1-CG1 4.26Å; I35-V386 HydrophobicContact CG1-CG1 4.08Å; I35-V386 HydrophobicContact CG1-CG2 4.36Å |
| 36 | D | 94.3 | Very high | 87.1 | Confident | 78 Ų | 78 | 55.5 Ų | 55.5 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 177.3 | -69.5 | -18.4 | 0 | 0 | 0 | 112.7 | V32 K34 K40 | V32-D36 PolarHBondContact O-N 2.92Å; K34-D36 VanDerWaalsContact C-N 3.29Å; K34-D36 PolarHBondContact O-N 3.17Å; D36-K40 VanDerWaalsContact O-CG 3.27Å; D36-K40 WeakPolarHBondContact O-CG 3.18Å; D36-K40 PolarHBondContact O-N 2.52Å |
| 37 | K | 92.9 | Very high | 86.7 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.8 | -176.3 | -174.7 | -178.9 | -168 | 0 | 111.8 | A33 K34 I35 T373 L382 | A33-K37 PolarHBondContact O-N 2.84Å; A33-K37 VanDerWaalsContact O-N 3.11Å; K34-K37 WeakPolarHBondContact O-CB 3.22Å; K34-K37 PolarHBondContact O-N 3.39Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.41Å; K37-T373 PolarHBondContact NZ-O 3.4Å; K37-T373 VanDerWaalsContact NZ-O 3.09Å; K37-L382 HydrophobicContact CD-CD1 3.98Å |
| 38 | I | 94.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.1 | -52 | 178.3 | -71.1 | 159.4 | 0 | 0 | 0 | 109.4 | K34 I35 K40 K41 I42 V60 M63 C376 L382 V386 | K34-I38 WeakPolarHBondContact O-CD1 3.3Å; K34-I38 VanDerWaalsContact O-CG1 3.26Å; K34-I38 WeakPolarHBondContact O-CG1 3.32Å; K34-I38 PolarHBondContact O-N 3.26Å; I35-I38 WeakPolarHBondContact O-CB 3.4Å; I35-I38 PolarHBondContact O-N 3.21Å; I35-I38 VanDerWaalsContact O-N 3.11Å; I38-K40 PolarHBondContact O-N 2.6Å; I38-K41 PolarHBondContact O-N 2.89Å; I38-I42 HydrophobicContact CG2-CG1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.29Å; I38-I42 PolarHBondContact O-N 2.62Å; I38-V60 HydrophobicContact CG2-CG1 3.66Å; I38-V60 HydrophobicContact CG2-CG2 4.33Å; I38-M63 HydrophobicContact CD1-CE 4.06Å; I38-M63 HydrophobicContact CG2-CE 4.2Å; I38-C376 HydrophobicContact CG1-CB 4.26Å; I38-C376 HydrophobicContact CG2-CB 4.11Å; I38-L382 HydrophobicContact CD1-CB 3.84Å; I38-L382 HydrophobicContact CG1-CB 4.04Å; I38-V386 HydrophobicContact CD1-CG2 4.06Å |
| 39 | L | 93.2 | Very high | 85.7 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 29% | 0.288 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.2 | -26.3 | -176.1 | -66.5 | -179.3 | 0 | 0 | 0 | 113.7 | I35 K41 L64 T83 I87 | I35-L39 HydrophobicContact CG2-CD1 3.78Å; I35-L39 HydrophobicContact CG2-CG 4.16Å; I35-L39 WeakPolarHBondContact O-CG 3.41Å; I35-L39 PolarHBondContact O-N 2.73Å; L39-K41 PolarHBondContact O-N 2.88Å; L39-L64 HydrophobicContact CD2-CD1 4.12Å; L39-T83 HydrophobicContact CD1-CG2 4.31Å; L39-T83 HydrophobicContact CD2-CG2 3.88Å; L39-I87 HydrophobicContact CD2-CD1 4.27Å |
| 40 | K | 91.3 | Very high | 85.4 | Confident | 181 Ų | 181 | 61.5 Ų | 61.5 | 79% | 0.787 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.3 | 172.2 | -75.8 | 170.7 | -175.2 | 175.8 | 0 | 114.2 | D36 I38 | D36-K40 VanDerWaalsContact O-CG 3.27Å; D36-K40 WeakPolarHBondContact O-CG 3.18Å; D36-K40 PolarHBondContact O-N 2.52Å; I38-K40 PolarHBondContact O-N 2.6Å |
| 41 | K | 87.6 | Confident | 85.2 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -17.8 | -172.7 | -69 | -176.4 | 170.6 | -159.7 | 0 | 114.2 | I38 L39 P43 S374 | I38-K41 PolarHBondContact O-N 2.89Å; L39-K41 PolarHBondContact O-N 2.88Å; K41-P43 VanDerWaalsContact O-CD 3.28Å; K41-P43 WeakPolarHBondContact O-CD 3.18Å; K41-S374 PolarHBondContact NZ-O 3.17Å |
| 42 | I | 82.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | trans | -83.2 | 115.1 | -176.4 | -64.7 | -61 | 0 | 0 | 0 | 109.2 | I38 P57 V60 I87 C376 | I38-I42 HydrophobicContact CG2-CG1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.29Å; I38-I42 PolarHBondContact O-N 2.62Å; I42-P57 HydrophobicContact CG2-CB 4.24Å; I42-V60 HydrophobicContact CD1-CG2 3.69Å; I42-V60 HydrophobicContact CG1-CG1 4.19Å; I42-V60 HydrophobicContact CG1-CG2 3.94Å; I42-I87 HydrophobicContact CG2-CD1 4.42Å; I42-C376 HydrophobicContact CD1-CB 3.8Å; I42-C376 HydrophobicContact CG1-CB 4.45Å | ||
| 43 | P | 68.6 | Low | 85.2 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | trans | -70.5 | 146.2 | 172 | 25.6 | -24.2 | 0 | 0 | 0 | 110 | K41 D48 | K41-P43 VanDerWaalsContact O-CD 3.28Å; K41-P43 WeakPolarHBondContact O-CD 3.18Å; P43-D48 HydrophobicContact CG-CB 3.78Å; P43-D48 WeakPolarHBondContact CG-OD2 3.41Å | ||
| 44 | V | 68.6 | Low | 85.4 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | trans | -108.1 | 58.7 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 107.8 | V90 | V44-V90 HydrophobicContact CG1-CG2 3.7Š| ||
| 45 | D | 73.6 | Confident | 85.3 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -136.5 | 147.8 | 177.2 | -173.2 | 19.7 | 0 | 0 | 0 | 110.9 | S47 D48 C49 | D45-S47 PolarHBondContact O-N 3.25Å; D45-S47 PolarHBondContact OD2-OG 2.9Å; D45-D48 PolarHBondContact O-N 2.69Å; D45-C49 PolarHBondContact O-SG 3.04Å |
| 46 | I | 72.3 | Confident | 85.2 | Confident | 71 Ų | 71 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -67.1 | -23.6 | -177.4 | -158.6 | 167.8 | 0 | 0 | 0 | 112.4 | D48 V90 R93 Y94 | I46-D48 PolarHBondContact O-N 3.44Å; I46-V90 HydrophobicContact CB-CG1 4.07Å; I46-R93 HydrophobicContact CD1-CB 3.99Å; I46-Y94 HydrophobicContact CG1-CD2 4.31Å |
| 47 | S | 69 | Low | 85.2 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 70% | 0.699 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -68.5 | -14.2 | -179.7 | 62.3 | 0 | 0 | 0 | 0 | 114 | D45 | D45-S47 PolarHBondContact O-N 3.25Å; D45-S47 PolarHBondContact OD2-OG 2.9Å |
| 48 | D | 77 | Confident | 85.3 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -131.1 | 45 | -178.5 | -163.3 | 15.5 | 0 | 0 | 0 | 111.2 | P43 D45 I46 | P43-D48 HydrophobicContact CG-CB 3.78Å; P43-D48 WeakPolarHBondContact CG-OD2 3.41Å; D45-D48 PolarHBondContact O-N 2.69Å; I46-D48 PolarHBondContact O-N 3.44Å |
| 49 | C | 80 | Confident | 85.5 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | trans | -110.3 | 6.1 | -178.9 | -79.9 | 0 | 0 | 0 | 0 | 114.8 | D45 P57 V90 Y94 | D45-C49 PolarHBondContact O-SG 3.04Å; C49-P57 HydrophobicContact CB-CG 4.21Å; C49-V90 WeakPolarHBondContact SG-CG1 3.48Å; C49-Y94 HydrophobicContact CB-CD1 4.3Å; C49-Y94 HydrophobicContact CB-CD2 3.76Å; C49-Y94 HydrophobicContact CB-CE2 4.44Å; C49-Y94 HydrophobicContact CB-CG 3.67Å | ||
| 50 | D | 84.3 | Confident | 85.7 | Confident | 117 Ų | 117 | 50.1 Ų | 50.1 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 159 | 175.2 | -166.2 | 12.9 | 0 | 0 | 0 | 111.2 | G56 | D50-G56 WeakPolarHBondContact O-CA 3.39Š|
| 51 | G | 85.9 | Confident | 86 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 1.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L53 Y54 D55 G56 | G51-L53 PolarHBondContact O-N 3.4Å; G51-Y54 PolarHBondContact O-N 2.98Å; G51-D55 WeakPolarHBondContact CA-OD1 3.23Å; G51-D55 PolarHBondContact O-N 3.24Å; G51-D55 VanDerWaalsContact O-N 3.14Å; G51-G56 PolarHBondContact O-N 3.18Å |
| 52 | G | 94.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -131 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G56 A58 | G52-G56 CarbonylContact O-C 3.3Å; G52-G56 VanDerWaalsContact O-CA 3.31Å; G52-G56 WeakPolarHBondContact O-CA 3.36Å; G52-A58 WeakPolarHBondContact O-CB 3.34Å |
| 53 | L | 97.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18 | 174.8 | -60.7 | -175.6 | 0 | 0 | 0 | 113 | G51 A58 F107 L108 G113 V117 L378 L402 | G51-L53 PolarHBondContact O-N 3.4Å; L53-A58 HydrophobicContact CD2-CB 3.64Å; L53-F107 HydrophobicContact CD1-CE2 4.34Å; L53-L108 WeakPolarHBondContact CA-O 3.38Å; L53-L108 HydrophobicContact CB-CD2 4.49Å; L53-L108 PolarHBondContact N-O 3.19Å; L53-G113 VanDerWaalsContact CD1-CA 3.42Å; L53-V117 HydrophobicContact CD1-CG2 3.91Å; L53-V117 HydrophobicContact CD2-CB 4.23Å; L53-V117 HydrophobicContact CD2-CG2 3.61Å; L53-V117 HydrophobicContact CG-CG2 4.45Å; L53-L378 WeakPolarHBondContact O-CB 3.24Å; L53-L402 HydrophobicContact CB-CD1 4.3Å; L53-L402 HydrophobicContact CD1-CD1 3.6Å; L53-L402 HydrophobicContact CD1-CD2 4.48Å |
| 54 | Y | 97.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 9% | 0.09 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -69.5 | -172.8 | -175.2 | -94.8 | 0 | 0 | 0 | 111.3 | G51 L108 L109 F158 C327 H328 F379 E380 | G51-Y54 PolarHBondContact O-N 2.98Å; Y54-L108 PolarHBondContact N-O 3.06Å; Y54-L109 HydrophobicContact CD1-CD2 4.28Å; Y54-L109 HydrophobicContact CG-CD2 4Å; Y54-F158 HydrophobicContact CD2-CD2 4.49Å; Y54-F158 AromaticContact CD2-CE2 3.66Å; Y54-F158 HydrophobicContact CD2-CE2 3.66Å; Y54-F158 AromaticContact CD2-CZ 3.88Å; Y54-F158 HydrophobicContact CD2-CZ 3.88Å; Y54-F158 AromaticContact CE2-CE2 3.56Å; Y54-F158 HydrophobicContact CE2-CE2 3.56Å; Y54-F158 AromaticContact CE2-CZ 3.62Å; Y54-F158 HydrophobicContact CE2-CZ 3.62Å; Y54-F158 HydrophobicContact CG-CE2 4.41Å; Y54-C327 HydrophobicContact CE2-CB 4.11Å; Y54-C327 PolarHBondContact OH-SG 3.39Å; Y54-H328 PolarHBondContact OH-CE1 3.46Å; Y54-F379 HydrophobicContact CD1-CB 4.46Å; Y54-F379 HydrophobicContact CD2-CB 3.33Å; Y54-F379 AromaticContact CD2-CD1 3.81Å; Y54-F379 HydrophobicContact CD2-CD1 3.81Å; Y54-F379 AromaticContact CD2-CD2 3.98Å; Y54-F379 HydrophobicContact CD2-CD2 3.98Å; Y54-F379 AromaticContact CD2-CG 3.42Å; Y54-F379 HydrophobicContact CD2-CG 3.42Å; Y54-F379 VanDerWaalsContact CD2-CG 3.42Å; Y54-F379 HydrophobicContact CE1-CB 4.48Å; Y54-F379 HydrophobicContact CE2-CB 3.38Å; Y54-F379 AromaticContact CE2-CD1 3.87Å; Y54-F379 HydrophobicContact CE2-CD1 3.87Å; Y54-F379 AromaticContact CE2-CG 3.76Å; Y54-F379 HydrophobicContact CE2-CG 3.76Å; Y54-F379 HydrophobicContact CG-CB 3.9Å; Y54-F379 HydrophobicContact CG-CG 4.23Å; Y54-F379 PolarHBondContact O-N 2.85Å; Y54-E380 HydrophobicContact CE1-CG 3.73Å; Y54-E380 WeakPolarHBondContact CE1-OE1 3.23Å; Y54-E380 PolarHBondContact OH-OE1 3.49Å |
| 55 | D | 92.2 | Very high | 90.2 | Very high | 83 Ų | 83 | 29.2 Ų | 29.2 | 44% | 0.444 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -10.3 | -179.2 | 54.6 | -21.1 | 0 | 0 | 0 | 113.7 | G51 S377 | G51-D55 WeakPolarHBondContact CA-OD1 3.23Å; G51-D55 PolarHBondContact O-N 3.24Å; G51-D55 VanDerWaalsContact O-N 3.14Å; D55-S377 VanDerWaalsContact CA-CB 3.41Å; D55-S377 VanDerWaalsContact O-CB 3.3Å; D55-S377 WeakPolarHBondContact O-CB 3.3Å |
| 56 | G | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -86.5 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | D50 G51 G52 A58 G59 | D50-G56 WeakPolarHBondContact O-CA 3.39Å; G51-G56 PolarHBondContact O-N 3.18Å; G52-G56 CarbonylContact O-C 3.3Å; G52-G56 VanDerWaalsContact O-CA 3.31Å; G52-G56 WeakPolarHBondContact O-CA 3.36Å; G56-A58 VanDerWaalsContact C-N 3.29Å; G56-A58 PolarHBondContact O-N 2.95Å; G56-G59 PolarHBondContact O-N 3.49Å |
| 57 | P | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 7% | 0.065 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -23.9 | -177.3 | 25.4 | -33.7 | 0 | 0 | 0 | 113.8 | I42 C49 G59 V60 A61 I87 | I42-P57 HydrophobicContact CG2-CB 4.24Å; C49-P57 HydrophobicContact CB-CG 4.21Å; P57-G59 PolarHBondContact O-N 3.39Å; P57-V60 WeakPolarHBondContact O-CA 3.47Å; P57-V60 WeakPolarHBondContact O-CB 3.4Å; P57-V60 PolarHBondContact O-N 2.85Å; P57-A61 PolarHBondContact O-N 2.82Å; P57-A61 VanDerWaalsContact O-N 3.1Å; P57-I87 HydrophobicContact CB-CG2 3.86Å; P57-I87 WeakPolarHBondContact O-CG2 3.49Å |
| 58 | A | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -28.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G52 L53 G56 V60 A61 Y62 I88 I114 | G52-A58 WeakPolarHBondContact O-CB 3.34Å; L53-A58 HydrophobicContact CD2-CB 3.64Å; G56-A58 VanDerWaalsContact C-N 3.29Å; G56-A58 PolarHBondContact O-N 2.95Å; A58-V60 VanDerWaalsContact C-N 3.31Å; A58-V60 PolarHBondContact O-N 3.13Å; A58-A61 WeakPolarHBondContact O-CB 3.49Å; A58-A61 PolarHBondContact O-N 2.94Å; A58-Y62 PolarHBondContact O-N 3.21Å; A58-I88 HydrophobicContact CB-CD1 3.68Å; A58-I114 HydrophobicContact CB-CG1 3.87Å |
| 59 | G | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65 | -32.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G56 P57 Y62 M63 | G56-G59 PolarHBondContact O-N 3.49Å; P57-G59 PolarHBondContact O-N 3.39Å; G59-Y62 PolarHBondContact O-N 2.85Å; G59-M63 PolarHBondContact O-N 3.08Å |
| 60 | V | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.7 | -40.9 | 174 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | I38 I42 P57 A58 Y62 M63 L64 I87 | I38-V60 HydrophobicContact CG2-CG1 3.66Å; I38-V60 HydrophobicContact CG2-CG2 4.33Å; I42-V60 HydrophobicContact CD1-CG2 3.69Å; I42-V60 HydrophobicContact CG1-CG1 4.19Å; I42-V60 HydrophobicContact CG1-CG2 3.94Å; P57-V60 WeakPolarHBondContact O-CA 3.47Å; P57-V60 WeakPolarHBondContact O-CB 3.4Å; P57-V60 PolarHBondContact O-N 2.85Å; A58-V60 VanDerWaalsContact C-N 3.31Å; A58-V60 PolarHBondContact O-N 3.13Å; V60-Y62 VanDerWaalsContact C-N 3.28Å; V60-Y62 PolarHBondContact O-N 3.48Å; V60-M63 HydrophobicContact CG1-CE 3.88Å; V60-M63 WeakPolarHBondContact O-CB 3.49Å; V60-M63 PolarHBondContact O-N 3.44Å; V60-M63 VanDerWaalsContact O-N 3.12Å; V60-L64 PolarHBondContact O-N 2.97Å; V60-I87 HydrophobicContact CG1-CD1 4.11Å |
| 61 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P57 A58 L64 Y65 A84 I87 I88 I121 | P57-A61 PolarHBondContact O-N 2.82Å; P57-A61 VanDerWaalsContact O-N 3.1Å; A58-A61 WeakPolarHBondContact O-CB 3.49Å; A58-A61 PolarHBondContact O-N 2.94Å; A61-L64 PolarHBondContact O-N 2.91Å; A61-Y65 PolarHBondContact O-N 3.44Å; A61-A84 HydrophobicContact CB-CB 4.49Å; A61-I87 HydrophobicContact CB-CB 4.07Å; A61-I87 HydrophobicContact CB-CG2 3.97Å; A61-I88 HydrophobicContact CB-CB 3.92Å; A61-I88 HydrophobicContact CB-CD1 4.18Å; A61-I121 HydrophobicContact CB-CD1 3.98Å |
| 62 | Y | 98.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 19.5 Ų | 19.5 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 172.6 | 174.9 | -92.9 | 0 | 0 | 0 | 112.3 | A58 G59 V60 L64 Y65 H66 V117 M120 L378 P401 L402 | A58-Y62 PolarHBondContact O-N 3.21Å; G59-Y62 PolarHBondContact O-N 2.85Å; V60-Y62 VanDerWaalsContact C-N 3.28Å; V60-Y62 PolarHBondContact O-N 3.48Å; Y62-L64 PolarHBondContact O-N 3.27Å; Y62-Y65 HydrophobicContact CD2-CD1 4.27Å; Y62-Y65 HydrophobicContact CE2-CD1 4.33Å; Y62-Y65 WeakPolarHBondContact O-CB 3.41Å; Y62-Y65 PolarHBondContact O-N 3.01Å; Y62-H66 HydrophobicContact CE1-CB 4.15Å; Y62-H66 WeakPolarHBondContact O-CB 3.44Å; Y62-H66 PolarHBondContact O-N 3.38Å; Y62-V117 HydrophobicContact CD2-CG2 3.96Å; Y62-V117 HydrophobicContact CG-CG2 4.44Å; Y62-M120 HydrophobicContact CD2-CE 4.17Å; Y62-M120 HydrophobicContact CE2-CE 4.27Å; Y62-L378 HydrophobicContact CD1-CD1 3.96Å; Y62-L378 HydrophobicContact CD1-CD2 3.66Å; Y62-L378 HydrophobicContact CD1-CG 4.5Å; Y62-L378 HydrophobicContact CE1-CD1 4.46Å; Y62-L378 HydrophobicContact CE1-CD2 4.38Å; Y62-L378 HydrophobicContact CG-CD2 4.25Å; Y62-P401 HydrophobicContact CE1-CB 3.8Å; Y62-L402 HydrophobicContact CD2-CD2 3.77Å; Y62-L402 HydrophobicContact CD2-CG 4.23Å; Y62-L402 HydrophobicContact CE1-CG 4.31Å; Y62-L402 HydrophobicContact CE2-CD2 3.48Å; Y62-L402 VanDerWaalsContact CE2-CD2 3.48Å; Y62-L402 HydrophobicContact CE2-CG 3.91Å; Y62-L402 HydrophobicContact CG-CD1 4.43Å; Y62-L402 HydrophobicContact CG-CD2 4.48Å |
| 63 | M | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.4 | 172.7 | -81.4 | -63.7 | 0 | 0 | 111.8 | I35 I38 G59 V60 Y65 H66 V67 S383 V386 | I35-M63 HydrophobicContact CD1-SD 4.41Å; I35-M63 HydrophobicContact CG1-CE 4.42Å; I35-M63 HydrophobicContact CG1-SD 3.95Å; I38-M63 HydrophobicContact CD1-CE 4.06Å; I38-M63 HydrophobicContact CG2-CE 4.2Å; G59-M63 PolarHBondContact O-N 3.08Å; V60-M63 HydrophobicContact CG1-CE 3.88Å; V60-M63 WeakPolarHBondContact O-CB 3.49Å; V60-M63 PolarHBondContact O-N 3.44Å; V60-M63 VanDerWaalsContact O-N 3.12Å; M63-Y65 PolarHBondContact O-N 3.21Å; M63-H66 PolarHBondContact O-N 2.91Å; M63-V67 HydrophobicContact CG-CG2 4.46Å; M63-V67 WeakPolarHBondContact O-CG2 3.22Å; M63-V67 PolarHBondContact O-N 3.3Å; M63-V67 HydrophobicContact SD-CG2 3.9Å; M63-S383 WeakPolarHBondContact CG-O 3.43Å; M63-V386 HydrophobicContact CG-CB 3.87Å; M63-V386 HydrophobicContact CG-CG1 3.71Å; M63-V386 HydrophobicContact SD-CB 4.15Å; M63-V386 HydrophobicContact SD-CG1 3.59Å; M63-V386 VanDerWaalsContact SD-CG1 3.59Å |
| 64 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 177 | -68.8 | 172.4 | 0 | 0 | 0 | 112.1 | I35 L39 V60 A61 Y62 S68 Y80 T83 A84 I87 | I35-L64 HydrophobicContact CG2-CD2 3.84Å; L39-L64 HydrophobicContact CD2-CD1 4.12Å; V60-L64 PolarHBondContact O-N 2.97Å; A61-L64 PolarHBondContact O-N 2.91Å; Y62-L64 PolarHBondContact O-N 3.27Å; L64-S68 WeakPolarHBondContact O-CB 3.41Å; L64-S68 PolarHBondContact O-N 3.37Å; L64-Y80 HydrophobicContact CD2-CD1 4.03Å; L64-Y80 HydrophobicContact CD2-CG 4.28Å; L64-T83 HydrophobicContact CD1-CG2 3.73Å; L64-A84 HydrophobicContact CB-CB 3.75Å; L64-A84 HydrophobicContact CD1-CB 4.12Å; L64-I87 HydrophobicContact CD1-CD1 3.95Å |
| 65 | Y | 98.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.9 | -51.9 | 171.9 | 167 | -108 | 0 | 0 | 0 | 110.8 | A61 Y62 M63 V67 S68 E69 L81 M120 I121 | A61-Y65 PolarHBondContact O-N 3.44Å; Y62-Y65 HydrophobicContact CD2-CD1 4.27Å; Y62-Y65 HydrophobicContact CE2-CD1 4.33Å; Y62-Y65 WeakPolarHBondContact O-CB 3.41Å; Y62-Y65 PolarHBondContact O-N 3.01Å; M63-Y65 PolarHBondContact O-N 3.21Å; Y65-V67 PolarHBondContact O-N 2.95Å; Y65-S68 WeakPolarHBondContact O-CB 3.49Å; Y65-S68 PolarHBondContact O-N 3.12Å; Y65-S68 PolarHBondContact O-OG 3.3Å; Y65-E69 HydrophobicContact CD2-CG 4.33Å; Y65-E69 HydrophobicContact CE1-CG 4.36Å; Y65-E69 HydrophobicContact CE2-CG 3.78Å; Y65-E69 WeakPolarHBondContact O-CG 3.45Å; Y65-E69 PolarHBondContact O-N 3.37Å; Y65-E69 PolarHBondContact OH-OE2 2.9Å; Y65-E69 VanDerWaalsContact OH-OE2 3.13Å; Y65-L81 HydrophobicContact CD2-CD2 3.97Å; Y65-M120 HydrophobicContact CD1-CB 4.48Å; Y65-M120 HydrophobicContact CE1-CB 4.04Å; Y65-M120 HydrophobicContact CE1-SD 4.03Å; Y65-M120 HydrophobicContact CE2-CB 4.25Å; Y65-I121 HydrophobicContact CD2-CG1 4.3Å; Y65-I121 HydrophobicContact CG-CG1 4.2Å |
| 66 | H | 98.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 29 Ų | 29 | 9% | 0.088 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | -178.8 | 177.8 | 84.4 | 0 | 0 | 0 | 112.4 | Y62 M63 S68 E69 C387 D391 | Y62-H66 HydrophobicContact CE1-CB 4.15Å; Y62-H66 WeakPolarHBondContact O-CB 3.44Å; Y62-H66 PolarHBondContact O-N 3.38Å; M63-H66 PolarHBondContact O-N 2.91Å; H66-S68 VanDerWaalsContact C-N 3.29Å; H66-S68 PolarHBondContact O-N 3.16Å; H66-E69 PolarHBondContact O-N 3.23Å; H66-C387 PolarHBondContact NE2-O 2.85Å; H66-D391 IonicContact CE1-OD1 2.73Å; H66-D391 PolarHBondContact CE1-OD1 3.21Å; H66-D391 IonicContact CE1-OD2 2.62Å; H66-D391 IonicContact NE2-OD1 2.88Å; H66-D391 PolarHBondContact NE2-OD1 3.15Å |
| 67 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 111 | I35 M63 Y65 E69 C70 F73 Y80 V386 V390 | I35-V67 HydrophobicContact CD1-CB 4.46Å; I35-V67 HydrophobicContact CD1-CG1 3.97Å; I35-V67 HydrophobicContact CD1-CG2 3.97Å; M63-V67 HydrophobicContact CG-CG2 4.46Å; M63-V67 WeakPolarHBondContact O-CG2 3.22Å; M63-V67 PolarHBondContact O-N 3.3Å; M63-V67 HydrophobicContact SD-CG2 3.9Å; Y65-V67 PolarHBondContact O-N 2.95Å; V67-E69 PolarHBondContact O-N 3.39Å; V67-C70 WeakPolarHBondContact O-CB 3.42Å; V67-C70 PolarHBondContact O-N 3.25Å; V67-C70 VanDerWaalsContact O-N 3.09Å; V67-F73 HydrophobicContact CG1-CB 4.1Å; V67-F73 HydrophobicContact CG1-CD1 3.82Å; V67-F73 HydrophobicContact CG1-CD2 3.83Å; V67-F73 HydrophobicContact CG1-CE1 4.17Å; V67-F73 HydrophobicContact CG1-CE2 4.19Å; V67-F73 HydrophobicContact CG1-CG 3.63Å; V67-F73 HydrophobicContact CG1-CZ 4.35Å; V67-Y80 HydrophobicContact CB-CD2 4.36Å; V67-Y80 HydrophobicContact CG1-CD2 3.76Å; V67-Y80 HydrophobicContact CG1-CE2 3.58Å; V67-V386 HydrophobicContact CG2-CG1 3.56Å; V67-V390 HydrophobicContact CB-CG2 4.48Å; V67-V390 HydrophobicContact CG1-CG2 4.46Å; V67-V390 HydrophobicContact CG2-CG2 3.91Å |
| 68 | S | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -19.4 | -177.7 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | L64 Y65 H66 C70 R77 L81 | L64-S68 WeakPolarHBondContact O-CB 3.41Å; L64-S68 PolarHBondContact O-N 3.37Å; Y65-S68 WeakPolarHBondContact O-CB 3.49Å; Y65-S68 PolarHBondContact O-N 3.12Å; Y65-S68 PolarHBondContact O-OG 3.3Å; H66-S68 VanDerWaalsContact C-N 3.29Å; H66-S68 PolarHBondContact O-N 3.16Å; S68-C70 VanDerWaalsContact C-N 3.31Å; S68-R77 WeakPolarHBondContact O-CG 3.36Å; S68-L81 VanDerWaalsContact OG-CD2 3.22Å; S68-L81 WeakPolarHBondContact OG-CD2 3.23Å; S68-L81 WeakPolarHBondContact OG-CG 3.43Å |
| 69 | E | 96.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.8 | 176 | -59.3 | -73.8 | 101.7 | 0 | 0 | 111.9 | Y65 H66 V67 P71 S124 | Y65-E69 HydrophobicContact CD2-CG 4.33Å; Y65-E69 HydrophobicContact CE1-CG 4.36Å; Y65-E69 HydrophobicContact CE2-CG 3.78Å; Y65-E69 WeakPolarHBondContact O-CG 3.45Å; Y65-E69 PolarHBondContact O-N 3.37Å; Y65-E69 PolarHBondContact OH-OE2 2.9Å; Y65-E69 VanDerWaalsContact OH-OE2 3.13Å; H66-E69 PolarHBondContact O-N 3.23Å; V67-E69 PolarHBondContact O-N 3.39Å; E69-P71 WeakPolarHBondContact O-CD 3.49Å; E69-S124 PolarHBondContact OE1-OG 3.21Å |
| 70 | C | 96 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -79.5 | 122.6 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | V67 S68 L72 F73 V390 Q394 | V67-C70 WeakPolarHBondContact O-CB 3.42Å; V67-C70 PolarHBondContact O-N 3.25Å; V67-C70 VanDerWaalsContact O-N 3.09Å; S68-C70 VanDerWaalsContact C-N 3.31Å; C70-L72 PolarHBondContact O-N 3.45Å; C70-F73 HydrophobicContact CB-CD2 3.88Å; C70-F73 PolarHBondContact O-N 3.44Å; C70-V390 HydrophobicContact CB-CG1 3.65Å; C70-Q394 PolarHBondContact SG-OE1 3.46Å |
| 71 | P | 95.6 | Very high | 97.3 | Very high | 85 Ų | 85 | 40.8 Ų | 40.8 | 55% | 0.552 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -58.1 | -24 | -179 | -26.2 | 35.3 | 0 | 0 | 0 | 114.5 | E69 F73 S74 Q394 | E69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-F73 PolarHBondContact O-N 3.01Å; P71-S74 WeakPolarHBondContact O-CB 3.41Å; P71-S74 PolarHBondContact O-N 3.23Å; P71-S74 PolarHBondContact O-OG 3.49Å; P71-Q394 VanDerWaalsContact CD-NE2 3.34Å |
| 72 | L | 95.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 41% | 0.408 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -69 | -15.3 | 178.1 | -61.5 | 174.3 | 0 | 0 | 0 | 113.3 | A24 L28 C70 L393 | A24-L72 HydrophobicContact CB-CD1 4.26Å; L28-L72 HydrophobicContact CD1-CB 4.29Å; L28-L72 HydrophobicContact CD1-CD1 4.15Å; L28-L72 HydrophobicContact CD2-CB 4.17Å; C70-L72 PolarHBondContact O-N 3.45Å; L72-L393 HydrophobicContact CD1-CB 3.96Å; L72-L393 HydrophobicContact CD1-CD1 3.9Å; L72-L393 HydrophobicContact CD1-CG 4.37Å |
| 73 | F | 95.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -110 | 25.3 | 177 | -63.3 | -89.3 | 0 | 0 | 0 | 111.9 | L28 V31 V32 V67 C70 P71 E75 Q76 R77 Y80 V390 | L28-F73 HydrophobicContact CD2-CD1 4.33Å; L28-F73 HydrophobicContact CD2-CE1 3.91Å; L28-F73 HydrophobicContact CD2-CE2 4.28Å; L28-F73 HydrophobicContact CD2-CZ 3.89Å; L28-F73 HydrophobicContact CG-CE1 4.47Å; L28-F73 HydrophobicContact CG-CZ 4.05Å; V31-F73 HydrophobicContact CB-CE1 4.33Å; V31-F73 HydrophobicContact CB-CZ 3.91Å; V31-F73 HydrophobicContact CG1-CE1 3.81Å; V31-F73 HydrophobicContact CG1-CE2 4.46Å; V31-F73 HydrophobicContact CG1-CZ 3.51Å; V31-F73 HydrophobicContact CG2-CZ 4.47Å; V32-F73 HydrophobicContact CG2-CE1 3.99Å; V67-F73 HydrophobicContact CG1-CB 4.1Å; V67-F73 HydrophobicContact CG1-CD1 3.82Å; V67-F73 HydrophobicContact CG1-CD2 3.83Å; V67-F73 HydrophobicContact CG1-CE1 4.17Å; V67-F73 HydrophobicContact CG1-CE2 4.19Å; V67-F73 HydrophobicContact CG1-CG 3.63Å; V67-F73 HydrophobicContact CG1-CZ 4.35Å; C70-F73 HydrophobicContact CB-CD2 3.88Å; C70-F73 PolarHBondContact O-N 3.44Å; P71-F73 PolarHBondContact O-N 3.01Å; F73-E75 PolarHBondContact O-N 3.5Å; F73-Q76 PolarHBondContact O-N 3.26Å; F73-Q76 VanDerWaalsContact O-N 3.09Å; F73-R77 PolarHBondContact O-N 3Å; F73-Y80 HydrophobicContact CB-CE2 4.43Å; F73-Y80 HydrophobicContact CD1-CE2 4.05Å; F73-V390 HydrophobicContact CE2-CG2 4.05Å; F73-V390 HydrophobicContact CZ-CG2 4.47Å |
| 74 | S | 95.8 | Very high | 97.3 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 57% | 0.573 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.1 | -176.6 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | P71 R77 | P71-S74 WeakPolarHBondContact O-CB 3.41Å; P71-S74 PolarHBondContact O-N 3.23Å; P71-S74 PolarHBondContact O-OG 3.49Å; S74-R77 WeakPolarHBondContact O-CB 3.45Å |
| 75 | E | 95.6 | Very high | 97.2 | Very high | 169 Ų | 169 | 50.3 Ų | 50.3 | 79% | 0.79 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -35.3 | 178.1 | -64.7 | -175.7 | 164.7 | 0 | 0 | 112.5 | F73 | F73-E75 PolarHBondContact O-N 3.5Š|
| 76 | Q | 96.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 27% | 0.271 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.3 | -179.2 | -60.7 | 74.5 | 24.4 | 0 | 0 | 112.6 | F73 D78 V79 Y80 | F73-Q76 PolarHBondContact O-N 3.26Å; F73-Q76 VanDerWaalsContact O-N 3.09Å; Q76-D78 VanDerWaalsContact C-N 3.34Å; Q76-D78 PolarHBondContact O-N 2.79Å; Q76-V79 WeakPolarHBondContact O-CB 3.49Å; Q76-V79 PolarHBondContact O-N 2.94Å; Q76-Y80 HydrophobicContact CB-CD1 4.45Å; Q76-Y80 HydrophobicContact CB-CD2 3.82Å; Q76-Y80 HydrophobicContact CB-CE1 4.13Å; Q76-Y80 HydrophobicContact CB-CE2 3.45Å; Q76-Y80 VanDerWaalsContact CB-CE2 3.45Å; Q76-Y80 HydrophobicContact CB-CG 4.31Å; Q76-Y80 HydrophobicContact CG-CE2 4.27Å; Q76-Y80 PolarHBondContact O-N 2.91Å |
| 77 | R | 97.5 | Very high | 97 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -46.1 | -53.1 | -173.6 | -177.3 | -176.9 | -179.2 | -71.9 | -4.6 | 113 | S68 F73 S74 V79 Y80 L81 S124 | S68-R77 WeakPolarHBondContact O-CG 3.36Å; F73-R77 PolarHBondContact O-N 3Å; S74-R77 WeakPolarHBondContact O-CB 3.45Å; R77-V79 VanDerWaalsContact C-N 3.34Å; R77-V79 PolarHBondContact O-N 3.41Å; R77-Y80 PolarHBondContact O-N 2.9Å; R77-L81 HydrophobicContact CG-CD1 4.13Å; R77-L81 WeakPolarHBondContact O-CG 3.36Å; R77-L81 PolarHBondContact O-N 3.32Å; R77-S124 PolarHBondContact NH2-O 3.32Å; R77-S124 PolarHBondContact NH2-OG 3.41Å |
| 78 | D | 97.9 | Very high | 97 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -35.4 | -176.4 | -77.1 | -6.2 | 0 | 0 | 0 | 112.6 | Q76 K82 | Q76-D78 VanDerWaalsContact C-N 3.34Å; Q76-D78 PolarHBondContact O-N 2.79Å; D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CD 3.01Å; D78-K82 WeakPolarHBondContact O-CG 3.39Å; D78-K82 PolarHBondContact O-N 3.44Å; D78-K82 VanDerWaalsContact O-N 3.1Å |
| 79 | V | 97.8 | Very high | 97 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.4 | -49.6 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | Q76 R77 L81 K82 T83 | Q76-V79 WeakPolarHBondContact O-CB 3.49Å; Q76-V79 PolarHBondContact O-N 2.94Å; R77-V79 VanDerWaalsContact C-N 3.34Å; R77-V79 PolarHBondContact O-N 3.41Å; V79-L81 PolarHBondContact O-N 3.1Å; V79-K82 PolarHBondContact O-N 3.12Å; V79-T83 PolarHBondContact O-N 3.44Å; V79-T83 PolarHBondContact O-OG1 3.26Å; V79-T83 VanDerWaalsContact O-OG1 3.12Å |
| 80 | Y | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179.7 | -67.4 | -20.1 | 0 | 0 | 0 | 112.6 | I35 L64 V67 F73 Q76 R77 T83 A84 | I35-Y80 HydrophobicContact CD1-CE1 4.43Å; I35-Y80 HydrophobicContact CD1-CE2 4.06Å; I35-Y80 HydrophobicContact CG2-CE1 3.93Å; L64-Y80 HydrophobicContact CD2-CD1 4.03Å; L64-Y80 HydrophobicContact CD2-CG 4.28Å; V67-Y80 HydrophobicContact CB-CD2 4.36Å; V67-Y80 HydrophobicContact CG1-CD2 3.76Å; V67-Y80 HydrophobicContact CG1-CE2 3.58Å; F73-Y80 HydrophobicContact CB-CE2 4.43Å; F73-Y80 HydrophobicContact CD1-CE2 4.05Å; Q76-Y80 HydrophobicContact CB-CD1 4.45Å; Q76-Y80 HydrophobicContact CB-CD2 3.82Å; Q76-Y80 HydrophobicContact CB-CE1 4.13Å; Q76-Y80 HydrophobicContact CB-CE2 3.45Å; Q76-Y80 VanDerWaalsContact CB-CE2 3.45Å; Q76-Y80 HydrophobicContact CB-CG 4.31Å; Q76-Y80 HydrophobicContact CG-CE2 4.27Å; Q76-Y80 PolarHBondContact O-N 2.91Å; R77-Y80 PolarHBondContact O-N 2.9Å; Y80-T83 PolarHBondContact O-N 3.33Å; Y80-A84 VanDerWaalsContact O-CB 3.25Å; Y80-A84 WeakPolarHBondContact O-CB 3.29Å; Y80-A84 PolarHBondContact O-N 2.92Å |
| 81 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.9 | -75 | 174.3 | 0 | 0 | 0 | 113.1 | Y65 S68 R77 V79 A84 K85 L125 | Y65-L81 HydrophobicContact CD2-CD2 3.97Å; S68-L81 VanDerWaalsContact OG-CD2 3.22Å; S68-L81 WeakPolarHBondContact OG-CD2 3.23Å; S68-L81 WeakPolarHBondContact OG-CG 3.43Å; R77-L81 HydrophobicContact CG-CD1 4.13Å; R77-L81 WeakPolarHBondContact O-CG 3.36Å; R77-L81 PolarHBondContact O-N 3.32Å; V79-L81 PolarHBondContact O-N 3.1Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-K85 WeakPolarHBondContact O-CB 3.39Å; L81-K85 PolarHBondContact O-N 2.83Å; L81-L125 HydrophobicContact CB-CD2 3.55Å; L81-L125 HydrophobicContact CB-CG 3.91Å; L81-L125 HydrophobicContact CD1-CD2 4.26Å; L81-L125 HydrophobicContact CD1-CG 4.46Å |
| 82 | K | 98.1 | Very high | 97 | Very high | 127 Ų | 127 | 49.8 Ų | 49.8 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 175.5 | -75.7 | 170 | -174.2 | 169.6 | 0 | 111.3 | D78 V79 K85 Q86 L125 | D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CD 3.01Å; D78-K82 WeakPolarHBondContact O-CG 3.39Å; D78-K82 PolarHBondContact O-N 3.44Å; D78-K82 VanDerWaalsContact O-N 3.1Å; V79-K82 PolarHBondContact O-N 3.12Å; K82-K85 WeakPolarHBondContact O-CB 3.49Å; K82-K85 PolarHBondContact O-N 3.37Å; K82-Q86 WeakPolarHBondContact O-CG 3.46Å; K82-Q86 PolarHBondContact O-N 3.14Å; K82-L125 HydrophobicContact CG-CD2 4.48Å |
| 83 | T | 97.7 | Very high | 97 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 175.1 | -58 | 0 | 0 | 0 | 0 | 111.5 | L39 L64 V79 Y80 K85 Q86 I87 | L39-T83 HydrophobicContact CD1-CG2 4.31Å; L39-T83 HydrophobicContact CD2-CG2 3.88Å; L64-T83 HydrophobicContact CD1-CG2 3.73Å; V79-T83 PolarHBondContact O-N 3.44Å; V79-T83 PolarHBondContact O-OG1 3.26Å; V79-T83 VanDerWaalsContact O-OG1 3.12Å; Y80-T83 PolarHBondContact O-N 3.33Å; T83-K85 PolarHBondContact O-N 3.4Å; T83-Q86 WeakPolarHBondContact O-CB 3.44Å; T83-Q86 PolarHBondContact O-N 3.07Å; T83-Q86 VanDerWaalsContact O-N 3.14Å; T83-I87 HydrophobicContact CG2-CD1 4.2Å; T83-I87 WeakPolarHBondContact O-CG1 3.41Å; T83-I87 PolarHBondContact O-N 3.39Å; T83-I87 VanDerWaalsContact O-N 3.1Å |
| 84 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A61 L64 Y80 L81 I87 I88 I121 | A61-A84 HydrophobicContact CB-CB 4.49Å; L64-A84 HydrophobicContact CB-CB 3.75Å; L64-A84 HydrophobicContact CD1-CB 4.12Å; Y80-A84 VanDerWaalsContact O-CB 3.25Å; Y80-A84 WeakPolarHBondContact O-CB 3.29Å; Y80-A84 PolarHBondContact O-N 2.92Å; L81-A84 PolarHBondContact O-N 3.25Å; A84-I87 PolarHBondContact O-N 2.9Å; A84-I88 WeakPolarHBondContact O-CB 3.31Å; A84-I88 WeakPolarHBondContact O-CG2 3.42Å; A84-I88 PolarHBondContact O-N 3.4Å; A84-I121 HydrophobicContact CB-CD1 3.8Å; A84-I121 HydrophobicContact CB-CG1 4.2Å; A84-I121 HydrophobicContact CB-CG2 4.31Å |
| 85 | K | 98 | Very high | 97 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.8 | -163.9 | -161.1 | -178.4 | -53.3 | 0 | 112.1 | L81 K82 T83 I87 I88 D89 I121 Y122 L125 L127 | L81-K85 WeakPolarHBondContact O-CB 3.39Å; L81-K85 PolarHBondContact O-N 2.83Å; K82-K85 WeakPolarHBondContact O-CB 3.49Å; K82-K85 PolarHBondContact O-N 3.37Å; T83-K85 PolarHBondContact O-N 3.4Å; K85-I87 VanDerWaalsContact C-N 3.28Å; K85-I87 PolarHBondContact O-N 3.24Å; K85-I88 WeakPolarHBondContact O-CG2 3.45Å; K85-I88 PolarHBondContact O-N 3.1Å; K85-D89 IonicContact NZ-OD1 3.38Å; K85-D89 PolarHBondContact NZ-OD1 3.43Å; K85-D89 IonicContact NZ-OD2 3.7Å; K85-D89 PolarHBondContact NZ-OD2 3.1Å; K85-D89 VanDerWaalsContact O-CB 3.31Å; K85-D89 WeakPolarHBondContact O-CB 3.42Å; K85-D89 PolarHBondContact O-N 3.44Å; K85-I121 HydrophobicContact CB-CG2 4.05Å; K85-Y122 HydrophobicContact CG-CD1 4.14Å; K85-Y122 HydrophobicContact CG-CE1 3.76Å; K85-L125 HydrophobicContact CB-CD1 3.83Å; K85-L125 HydrophobicContact CD-CD1 3.9Å; K85-L125 HydrophobicContact CG-CD1 4.06Å; K85-L127 HydrophobicContact CD-CD1 4.07Å; K85-L127 VanDerWaalsContact CE-CD1 3.49Å |
| 86 | Q | 96.4 | Very high | 97 | Very high | 113 Ų | 113 | 47.8 Ų | 47.8 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58 | -43.6 | 178.6 | -71.9 | 170.7 | -22.5 | 0 | 0 | 111.6 | K82 T83 V90 | K82-Q86 WeakPolarHBondContact O-CG 3.46Å; K82-Q86 PolarHBondContact O-N 3.14Å; T83-Q86 WeakPolarHBondContact O-CB 3.44Å; T83-Q86 PolarHBondContact O-N 3.07Å; T83-Q86 VanDerWaalsContact O-N 3.14Å; Q86-V90 WeakPolarHBondContact O-CG2 3.46Å |
| 87 | I | 96.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.9 | -51.3 | 178.9 | -62 | 169.9 | 0 | 0 | 0 | 110.5 | L39 I42 P57 V60 A61 L64 T83 A84 K85 D89 V90 S91 | L39-I87 HydrophobicContact CD2-CD1 4.27Å; I42-I87 HydrophobicContact CG2-CD1 4.42Å; P57-I87 HydrophobicContact CB-CG2 3.86Å; P57-I87 WeakPolarHBondContact O-CG2 3.49Å; V60-I87 HydrophobicContact CG1-CD1 4.11Å; A61-I87 HydrophobicContact CB-CB 4.07Å; A61-I87 HydrophobicContact CB-CG2 3.97Å; L64-I87 HydrophobicContact CD1-CD1 3.95Å; T83-I87 HydrophobicContact CG2-CD1 4.2Å; T83-I87 WeakPolarHBondContact O-CG1 3.41Å; T83-I87 PolarHBondContact O-N 3.39Å; T83-I87 VanDerWaalsContact O-N 3.1Å; A84-I87 PolarHBondContact O-N 2.9Å; K85-I87 VanDerWaalsContact C-N 3.28Å; K85-I87 PolarHBondContact O-N 3.24Å; I87-D89 VanDerWaalsContact C-N 3.3Å; I87-D89 PolarHBondContact O-N 2.89Å; I87-V90 PolarHBondContact O-N 3.27Å; I87-V90 VanDerWaalsContact O-N 3.16Å; I87-S91 PolarHBondContact O-N 3.5Å; I87-S91 PolarHBondContact O-OG 2.99Å |
| 88 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -29.7 | -175.2 | -157.8 | 64.3 | 0 | 0 | 0 | 112.7 | A58 A61 A84 K85 V90 S91 V92 I114 V117 A118 I121 Y122 | A58-I88 HydrophobicContact CB-CD1 3.68Å; A61-I88 HydrophobicContact CB-CB 3.92Å; A61-I88 HydrophobicContact CB-CD1 4.18Å; A84-I88 WeakPolarHBondContact O-CB 3.31Å; A84-I88 WeakPolarHBondContact O-CG2 3.42Å; A84-I88 PolarHBondContact O-N 3.4Å; K85-I88 WeakPolarHBondContact O-CG2 3.45Å; K85-I88 PolarHBondContact O-N 3.1Å; I88-V90 VanDerWaalsContact C-N 3.28Å; I88-V90 PolarHBondContact O-N 2.77Å; I88-S91 PolarHBondContact O-N 3.48Å; I88-V92 HydrophobicContact CG1-CG2 4.48Å; I88-V92 VanDerWaalsContact O-CG2 3.29Å; I88-V92 WeakPolarHBondContact O-CG2 3.43Å; I88-V92 PolarHBondContact O-N 3.3Å; I88-I114 HydrophobicContact CD1-CG2 4.19Å; I88-V117 HydrophobicContact CD1-CB 4.06Å; I88-V117 HydrophobicContact CD1-CG1 3.8Å; I88-V117 HydrophobicContact CG1-CG1 4.22Å; I88-A118 HydrophobicContact CG1-CB 3.75Å; I88-A118 HydrophobicContact CG2-CB 4.41Å; I88-I121 HydrophobicContact CB-CD1 3.96Å; I88-I121 HydrophobicContact CG1-CD1 4.26Å; I88-I121 HydrophobicContact CG2-CD1 3.85Å; I88-Y122 HydrophobicContact CG2-CE1 4.08Å |
| 89 | D | 97 | Very high | 96.6 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 175.3 | -75.4 | -3.1 | 0 | 0 | 0 | 111.8 | K85 I87 R93 Y122 | K85-D89 IonicContact NZ-OD1 3.38Å; K85-D89 PolarHBondContact NZ-OD1 3.43Å; K85-D89 IonicContact NZ-OD2 3.7Å; K85-D89 PolarHBondContact NZ-OD2 3.1Å; K85-D89 VanDerWaalsContact O-CB 3.31Å; K85-D89 WeakPolarHBondContact O-CB 3.42Å; K85-D89 PolarHBondContact O-N 3.44Å; I87-D89 VanDerWaalsContact C-N 3.3Å; I87-D89 PolarHBondContact O-N 2.89Å; D89-R93 WeakPolarHBondContact O-CG 3.49Å; D89-R93 PolarHBondContact O-N 3.15Å; D89-Y122 VanDerWaalsContact OD1-CE1 3.29Å; D89-Y122 WeakPolarHBondContact OD1-CE1 3.21Å; D89-Y122 VanDerWaalsContact OD1-CZ 3.26Å; D89-Y122 PolarHBondContact OD1-OH 3.22Å |
| 90 | V | 95.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.2 | -46.9 | 175 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | V44 I46 C49 Q86 I87 I88 V92 R93 Y94 | V44-V90 HydrophobicContact CG1-CG2 3.7Å; I46-V90 HydrophobicContact CB-CG1 4.07Å; C49-V90 WeakPolarHBondContact SG-CG1 3.48Å; Q86-V90 WeakPolarHBondContact O-CG2 3.46Å; I87-V90 PolarHBondContact O-N 3.27Å; I87-V90 VanDerWaalsContact O-N 3.16Å; I88-V90 VanDerWaalsContact C-N 3.28Å; I88-V90 PolarHBondContact O-N 2.77Å; V90-V92 VanDerWaalsContact C-N 3.3Å; V90-V92 PolarHBondContact O-N 3.16Å; V90-R93 WeakPolarHBondContact O-CB 3.36Å; V90-R93 PolarHBondContact O-N 3.13Å; V90-R93 VanDerWaalsContact O-N 3.1Å; V90-Y94 PolarHBondContact O-N 3.36Å |
| 91 | S | 96.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 178.3 | -52.5 | 0 | 0 | 0 | 0 | 112.8 | I87 I88 Y94 A95 | I87-S91 PolarHBondContact O-N 3.5Å; I87-S91 PolarHBondContact O-OG 2.99Å; I88-S91 PolarHBondContact O-N 3.48Å; S91-Y94 WeakPolarHBondContact O-CB 3.39Å; S91-Y94 PolarHBondContact O-N 3.35Å; S91-A95 WeakPolarHBondContact O-CB 3.48Å; S91-A95 PolarHBondContact O-N 3.04Å |
| 92 | V | 97.3 | Very high | 96 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.085 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 173.8 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | I88 V90 Y94 A95 D96 I114 Y115 A118 | I88-V92 HydrophobicContact CG1-CG2 4.48Å; I88-V92 VanDerWaalsContact O-CG2 3.29Å; I88-V92 WeakPolarHBondContact O-CG2 3.43Å; I88-V92 PolarHBondContact O-N 3.3Å; V90-V92 VanDerWaalsContact C-N 3.3Å; V90-V92 PolarHBondContact O-N 3.16Å; V92-Y94 VanDerWaalsContact C-N 3.32Å; V92-Y94 PolarHBondContact O-N 3.04Å; V92-A95 PolarHBondContact O-N 3.16Å; V92-D96 WeakPolarHBondContact O-CB 3.22Å; V92-D96 PolarHBondContact O-N 3.28Å; V92-I114 HydrophobicContact CB-CG2 4.5Å; V92-I114 HydrophobicContact CG2-CG2 3.85Å; V92-Y115 HydrophobicContact CG1-CE1 4.3Å; V92-Y115 HydrophobicContact CG2-CD1 4.49Å; V92-A118 HydrophobicContact CG2-CB 3.62Å |
| 93 | R | 95.9 | Very high | 95.8 | Very high | 147 Ų | 147 | 51 Ų | 51 | 56% | 0.555 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.2 | -38.6 | 175.2 | -72.2 | -176.2 | -69 | 175.4 | 1.8 | 112 | I46 D89 V90 D96 A97 | I46-R93 HydrophobicContact CD1-CB 3.99Å; D89-R93 WeakPolarHBondContact O-CG 3.49Å; D89-R93 PolarHBondContact O-N 3.15Å; V90-R93 WeakPolarHBondContact O-CB 3.36Å; V90-R93 PolarHBondContact O-N 3.13Å; V90-R93 VanDerWaalsContact O-N 3.1Å; R93-D96 PolarHBondContact O-N 3.44Å; R93-A97 PolarHBondContact O-N 3.24Å; R93-A97 VanDerWaalsContact O-N 3.16Å |
| 94 | Y | 94.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 26% | 0.263 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -51 | 173.1 | 179.9 | -91.9 | 0 | 0 | 0 | 111.2 | I46 C49 V90 S91 V92 D96 A97 E98 | I46-Y94 HydrophobicContact CG1-CD2 4.31Å; C49-Y94 HydrophobicContact CB-CD1 4.3Å; C49-Y94 HydrophobicContact CB-CD2 3.76Å; C49-Y94 HydrophobicContact CB-CE2 4.44Å; C49-Y94 HydrophobicContact CB-CG 3.67Å; V90-Y94 PolarHBondContact O-N 3.36Å; S91-Y94 WeakPolarHBondContact O-CB 3.39Å; S91-Y94 PolarHBondContact O-N 3.35Å; V92-Y94 VanDerWaalsContact C-N 3.32Å; V92-Y94 PolarHBondContact O-N 3.04Å; Y94-D96 VanDerWaalsContact C-N 3.28Å; Y94-D96 PolarHBondContact O-N 3.45Å; Y94-A97 PolarHBondContact O-N 2.8Å; Y94-E98 PolarHBondContact O-N 3Å |
| 95 | A | 95.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S91 V92 A97 E98 R104 I114 Y115 | S91-A95 WeakPolarHBondContact O-CB 3.48Å; S91-A95 PolarHBondContact O-N 3.04Å; V92-A95 PolarHBondContact O-N 3.16Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-E98 WeakPolarHBondContact O-CB 3.46Å; A95-E98 PolarHBondContact O-N 3.28Å; A95-R104 WeakPolarHBondContact O-CD 3.41Å; A95-I114 HydrophobicContact CB-CB 4.43Å; A95-I114 HydrophobicContact CB-CD1 3.95Å; A95-I114 HydrophobicContact CB-CG2 4.22Å; A95-Y115 HydrophobicContact CB-CE1 4.04Å; A95-Y115 PolarHBondContact O-OH 3.01Å |
| 96 | D | 95.8 | Very high | 95.6 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.8 | -28.6 | 175.6 | -72.7 | -14.9 | 0 | 0 | 0 | 112.9 | V92 R93 Y94 Y115 K136 | V92-D96 WeakPolarHBondContact O-CB 3.22Å; V92-D96 PolarHBondContact O-N 3.28Å; R93-D96 PolarHBondContact O-N 3.44Å; Y94-D96 VanDerWaalsContact C-N 3.28Å; Y94-D96 PolarHBondContact O-N 3.45Å; D96-Y115 WeakPolarHBondContact OD1-CE1 3.35Å; D96-Y115 PolarHBondContact OD1-OH 3.24Å; D96-K136 IonicContact OD1-NZ 2.6Å; D96-K136 PolarHBondContact OD1-NZ 3.23Å; D96-K136 IonicContact OD2-NZ 2.83Å; D96-K136 PolarHBondContact OD2-NZ 3.23Å |
| 97 | A | 95.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 45 Ų | 45 | 61% | 0.612 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -85.6 | -9.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | R93 Y94 A95 P99 | R93-A97 PolarHBondContact O-N 3.24Å; R93-A97 VanDerWaalsContact O-N 3.16Å; Y94-A97 PolarHBondContact O-N 2.8Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A97-P99 WeakPolarHBondContact O-CD 3.48Å |
| 98 | E | 94.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | trans | -65.3 | 113.2 | -179.2 | 176.5 | 51.7 | -112.8 | 0 | 0 | 111.3 | Y94 A95 D100 M103 R104 | Y94-E98 PolarHBondContact O-N 3Å; A95-E98 WeakPolarHBondContact O-CB 3.46Å; A95-E98 PolarHBondContact O-N 3.28Å; E98-D100 VanDerWaalsContact OE1-CB 3.32Å; E98-D100 WeakPolarHBondContact OE1-CB 3.4Å; E98-D100 PolarHBondContact OE1-N 3.18Å; E98-M103 HydrophobicContact CG-CB 3.84Å; E98-R104 HydrophobicContact CB-CG 3.75Å; E98-R104 HydrophobicContact CG-CG 3.8Å; E98-R104 WeakPolarHBondContact O-CD 3.34Å; E98-R104 PolarHBondContact O-NE 3.24Å | ||
| 99 | P | 94.4 | Very high | 95.7 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 74% | 0.74 | 24% | 0.242 | S | C | * | . | trans | -69.3 | -31.2 | -179.5 | 28.1 | -36.6 | 0 | 0 | 0 | 113.2 | A97 Q101 | A97-P99 WeakPolarHBondContact O-CD 3.48Å; P99-Q101 PolarHBondContact O-N 3.31Å | ||
| 100 | D | 94.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | trans | -77.1 | 114.1 | -180 | -173.3 | -4.4 | 0 | 0 | 0 | 110.9 | E98 N102 M103 R104 | E98-D100 VanDerWaalsContact OE1-CB 3.32Å; E98-D100 WeakPolarHBondContact OE1-CB 3.4Å; E98-D100 PolarHBondContact OE1-N 3.18Å; D100-N102 PolarHBondContact O-N 2.91Å; D100-N102 VanDerWaalsContact OD1-CB 3.29Å; D100-N102 WeakPolarHBondContact OD1-CB 3.49Å; D100-N102 PolarHBondContact OD1-N 2.96Å; D100-M103 HydrophobicContact CB-CB 4.07Å; D100-M103 HydrophobicContact CB-CG 4.07Å; D100-M103 PolarHBondContact O-N 3.41Å; D100-R104 PolarHBondContact O-N 3.4Å | ||
| 101 | Q | 93.1 | Very high | 95.7 | Very high | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -30.7 | 178.1 | -41.4 | -159.2 | -24.3 | 0 | 0 | 112.1 | P99 R104 A105 V143 | P99-Q101 PolarHBondContact O-N 3.31Å; Q101-R104 PolarHBondContact O-N 2.98Å; Q101-A105 PolarHBondContact O-N 3.26Å; Q101-V143 HydrophobicContact CB-CG2 4.42Å |
| 102 | N | 93.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72 | -41.1 | -179.9 | -60.1 | -28.1 | 0 | 0 | 0 | 111 | D100 R104 A105 A106 F149 L150 | D100-N102 PolarHBondContact O-N 2.91Å; D100-N102 VanDerWaalsContact OD1-CB 3.29Å; D100-N102 WeakPolarHBondContact OD1-CB 3.49Å; D100-N102 PolarHBondContact OD1-N 2.96Å; N102-R104 VanDerWaalsContact C-N 3.29Å; N102-R104 PolarHBondContact O-N 3.48Å; N102-A105 CarbonylContact O-C 3.27Å; N102-A105 WeakPolarHBondContact O-CA 3.45Å; N102-A105 WeakPolarHBondContact O-CB 3.42Å; N102-A105 PolarHBondContact O-N 2.92Å; N102-A106 PolarHBondContact O-N 2.99Å; N102-F149 HydrophobicContact CB-CD2 4.36Å; N102-F149 HydrophobicContact CB-CE2 4.48Å; N102-F149 PolarHBondContact ND2-O 2.95Å; N102-F149 PolarHBondContact OD1-O 3.48Å; N102-L150 HydrophobicContact CB-CD2 3.63Å; N102-L150 HydrophobicContact CB-CG 4.32Å |
| 103 | M | 94.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.7 | -31.2 | 172.4 | -70.2 | -54.1 | -59.8 | 0 | 0 | 112.2 | E98 D100 A105 A106 L109 G110 G111 | E98-M103 HydrophobicContact CG-CB 3.84Å; D100-M103 HydrophobicContact CB-CB 4.07Å; D100-M103 HydrophobicContact CB-CG 4.07Å; D100-M103 PolarHBondContact O-N 3.41Å; M103-A105 VanDerWaalsContact C-N 3.28Å; M103-A105 PolarHBondContact O-N 3.09Å; M103-A106 PolarHBondContact O-N 3.01Å; M103-L109 HydrophobicContact CE-CB 4.29Å; M103-G110 WeakPolarHBondContact O-CA 3.44Å; M103-G111 PolarHBondContact O-N 3.36Å |
| 104 | R | 95.4 | Very high | 96 | Very high | 70 Ų | 70 | 37.5 Ų | 37.5 | 26% | 0.264 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.2 | -31.8 | 168.7 | -71.6 | -173.5 | -70.2 | 161.7 | -0.7 | 112.8 | A95 E98 D100 Q101 N102 G111 A112 L140 | A95-R104 WeakPolarHBondContact O-CD 3.41Å; E98-R104 HydrophobicContact CB-CG 3.75Å; E98-R104 HydrophobicContact CG-CG 3.8Å; E98-R104 WeakPolarHBondContact O-CD 3.34Å; E98-R104 PolarHBondContact O-NE 3.24Å; D100-R104 PolarHBondContact O-N 3.4Å; Q101-R104 PolarHBondContact O-N 2.98Å; N102-R104 VanDerWaalsContact C-N 3.29Å; N102-R104 PolarHBondContact O-N 3.48Å; R104-G111 CarbonylContact O-C 3.53Å; R104-G111 VanDerWaalsContact O-C 3.3Å; R104-G111 WeakPolarHBondContact O-CA 3.26Å; R104-G111 PolarHBondContact O-N 3.09Å; R104-A112 PolarHBondContact O-N 3.28Å; R104-L140 HydrophobicContact CB-CD2 4.12Å; R104-L140 VanDerWaalsContact O-CD1 3.22Å; R104-L140 WeakPolarHBondContact O-CD1 3.49Å |
| 105 | A | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -81.6 | -17.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q101 N102 M103 A112 L140 V143 | Q101-A105 PolarHBondContact O-N 3.26Å; N102-A105 CarbonylContact O-C 3.27Å; N102-A105 WeakPolarHBondContact O-CA 3.45Å; N102-A105 WeakPolarHBondContact O-CB 3.42Å; N102-A105 PolarHBondContact O-N 2.92Å; M103-A105 VanDerWaalsContact C-N 3.28Å; M103-A105 PolarHBondContact O-N 3.09Å; A105-A112 VanDerWaalsContact O-CB 3.31Å; A105-A112 WeakPolarHBondContact O-CB 3.49Å; A105-L140 HydrophobicContact CB-CB 4.47Å; A105-L140 HydrophobicContact CB-CD2 4.35Å; A105-V143 HydrophobicContact CB-CB 3.92Å; A105-V143 HydrophobicContact CB-CG1 3.68Å |
| 106 | A | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -63.8 | 142.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N102 M103 G110 G111 A112 V159 | N102-A106 PolarHBondContact O-N 2.99Å; M103-A106 PolarHBondContact O-N 3.01Å; A106-G110 CarbonylContact O-C 3.48Å; A106-G110 VanDerWaalsContact O-CA 3.27Å; A106-G110 WeakPolarHBondContact O-CA 3.33Å; A106-G111 PolarHBondContact O-N 3.22Å; A106-A112 VanDerWaalsContact O-CB 3.29Å; A106-A112 WeakPolarHBondContact O-CB 3.42Å; A106-A112 PolarHBondContact O-N 2.89Å; A106-V159 HydrophobicContact CB-CB 3.78Å; A106-V159 HydrophobicContact CB-CG1 3.72Å | ||
| 107 | F | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -82.6 | -75.6 | -174.6 | 176.5 | -143.2 | 0 | 0 | 0 | 112.5 | L53 L109 G113 L157 F158 G163 C166 A167 L402 | L53-F107 HydrophobicContact CD1-CE2 4.34Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-G113 WeakPolarHBondContact O-CA 3.44Å; F107-G113 PolarHBondContact O-N 3.44Å; F107-L157 HydrophobicContact CD1-CD1 4.3Å; F107-L157 HydrophobicContact CE1-CD1 4.41Å; F107-F158 CarbonylContact C-O 3.5Å; F107-F158 WeakPolarHBondContact CA-O 3.32Å; F107-F158 PolarHBondContact N-O 3.43Å; F107-G163 WeakPolarHBondContact CD1-O 3.32Å; F107-G163 WeakPolarHBondContact CG-O 3.47Å; F107-C166 HydrophobicContact CD1-CB 4.42Å; F107-C166 HydrophobicContact CE1-CB 3.97Å; F107-A167 HydrophobicContact CD2-CB 3.47Å; F107-A167 VanDerWaalsContact CD2-CB 3.47Å; F107-A167 HydrophobicContact CE2-CB 3.38Å; F107-A167 HydrophobicContact CG-CB 4.22Å; F107-A167 HydrophobicContact CZ-CB 4.07Å; F107-L402 HydrophobicContact CZ-CB 3.91Å |
| 108 | L | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -76.2 | -27.3 | -173.4 | -63.7 | -175.3 | 0 | 0 | 0 | 112.3 | L53 Y54 F158 W280 F379 L402 | L53-L108 WeakPolarHBondContact CA-O 3.38Å; L53-L108 HydrophobicContact CB-CD2 4.49Å; L53-L108 PolarHBondContact N-O 3.19Å; Y54-L108 PolarHBondContact N-O 3.06Å; L108-F158 HydrophobicContact CB-CG 4.43Å; L108-F158 HydrophobicContact CD1-CD1 3.66Å; L108-F158 HydrophobicContact CD1-CE1 3.63Å; L108-F158 HydrophobicContact CD1-CG 4.23Å; L108-F158 HydrophobicContact CD1-CZ 4.22Å; L108-F158 PolarHBondContact N-O 2.94Å; L108-W280 HydrophobicContact CD1-CH2 4.29Å; L108-F379 HydrophobicContact CD1-CE1 3.89Å; L108-F379 HydrophobicContact CD1-CE2 4.2Å; L108-F379 HydrophobicContact CD1-CZ 3.63Å; L108-F379 HydrophobicContact CD2-CE2 3.85Å; L108-F379 HydrophobicContact CD2-CZ 3.76Å; L108-F379 HydrophobicContact CG-CZ 4.34Å; L108-L402 HydrophobicContact CD2-CD1 4.29Å |
| 109 | L | 96.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 25.9 Ų | 25.9 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -103.4 | 3.1 | -177.5 | -57.7 | -176.9 | 0 | 0 | 0 | 113.5 | Y54 M103 F107 F158 V159 | Y54-L109 HydrophobicContact CD1-CD2 4.28Å; Y54-L109 HydrophobicContact CG-CD2 4Å; M103-L109 HydrophobicContact CE-CB 4.29Å; F107-L109 VanDerWaalsContact C-N 3.35Å; L109-F158 HydrophobicContact CD1-CB 4.34Å; L109-F158 HydrophobicContact CD1-CD2 4.14Å; L109-F158 HydrophobicContact CD2-CD2 4.41Å; L109-F158 HydrophobicContact CG-CB 4.34Å; L109-F158 HydrophobicContact CG-CD2 4.18Å; L109-V159 HydrophobicContact CB-CG1 4.2Å; L109-V159 HydrophobicContact CD1-CG1 3.93Å; L109-V159 HydrophobicContact CG-CG1 4.37Å |
| 110 | G | 95.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 6% | 0.062 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -147.7 | -169.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | M103 A106 A112 G113 I114 | M103-G110 WeakPolarHBondContact O-CA 3.44Å; A106-G110 CarbonylContact O-C 3.48Å; A106-G110 VanDerWaalsContact O-CA 3.27Å; A106-G110 WeakPolarHBondContact O-CA 3.33Å; G110-A112 VanDerWaalsContact C-N 3.32Å; G110-A112 PolarHBondContact O-N 3.01Å; G110-G113 PolarHBondContact O-N 3.43Å; G110-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 2.93Å |
| 111 | G | 97.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | M103 R104 A106 G113 I114 Y115 | M103-G111 PolarHBondContact O-N 3.36Å; R104-G111 CarbonylContact O-C 3.53Å; R104-G111 VanDerWaalsContact O-C 3.3Å; R104-G111 WeakPolarHBondContact O-CA 3.26Å; R104-G111 PolarHBondContact O-N 3.09Å; A106-G111 PolarHBondContact O-N 3.22Å; G111-G113 PolarHBondContact O-N 3.36Å; G111-I114 PolarHBondContact O-N 2.63Å; G111-Y115 WeakPolarHBondContact O-CB 3.35Å; G111-Y115 WeakPolarHBondContact O-CD2 3.41Å; G111-Y115 PolarHBondContact O-N 3.06Å |
| 112 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R104 A105 A106 G110 A116 F137 L140 Y164 | R104-A112 PolarHBondContact O-N 3.28Å; A105-A112 VanDerWaalsContact O-CB 3.31Å; A105-A112 WeakPolarHBondContact O-CB 3.49Å; A106-A112 VanDerWaalsContact O-CB 3.29Å; A106-A112 WeakPolarHBondContact O-CB 3.42Å; A106-A112 PolarHBondContact O-N 2.89Å; G110-A112 VanDerWaalsContact C-N 3.32Å; G110-A112 PolarHBondContact O-N 3.01Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.81Å; A112-F137 HydrophobicContact CB-CD2 4.1Å; A112-F137 HydrophobicContact CB-CE2 4Å; A112-F137 VanDerWaalsContact O-CD2 3.3Å; A112-F137 WeakPolarHBondContact O-CD2 3.24Å; A112-L140 HydrophobicContact CB-CD1 3.72Å; A112-Y164 HydrophobicContact CB-CD2 4.21Å |
| 113 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L53 F107 G110 G111 Y115 A116 V117 | L53-G113 VanDerWaalsContact CD1-CA 3.42Å; F107-G113 WeakPolarHBondContact O-CA 3.44Å; F107-G113 PolarHBondContact O-N 3.44Å; G110-G113 PolarHBondContact O-N 3.43Å; G111-G113 PolarHBondContact O-N 3.36Å; G113-Y115 PolarHBondContact O-N 3.48Å; G113-A116 WeakPolarHBondContact O-CB 3.3Å; G113-A116 PolarHBondContact O-N 3.4Å; G113-V117 WeakPolarHBondContact O-CG2 3.31Å; G113-V117 PolarHBondContact O-N 3.25Å |
| 114 | I | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.015 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 179 | -66.9 | 168.2 | 0 | 0 | 0 | 110.8 | A58 I88 V92 A95 G110 G111 A116 V117 A118 | A58-I114 HydrophobicContact CB-CG1 3.87Å; I88-I114 HydrophobicContact CD1-CG2 4.19Å; V92-I114 HydrophobicContact CB-CG2 4.5Å; V92-I114 HydrophobicContact CG2-CG2 3.85Å; A95-I114 HydrophobicContact CB-CB 4.43Å; A95-I114 HydrophobicContact CB-CD1 3.95Å; A95-I114 HydrophobicContact CB-CG2 4.22Å; G110-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 2.93Å; G111-I114 PolarHBondContact O-N 2.63Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.49Å; I114-V117 PolarHBondContact O-N 3.01Å; I114-A118 WeakPolarHBondContact O-CB 3.32Å; I114-A118 PolarHBondContact O-N 2.92Å |
| 115 | Y | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 13 Ų | 13 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.1 | -62.4 | -38.3 | 0 | 0 | 0 | 112.1 | V92 A95 D96 G111 G113 A118 A119 P133 K136 L140 | V92-Y115 HydrophobicContact CG1-CE1 4.3Å; V92-Y115 HydrophobicContact CG2-CD1 4.49Å; A95-Y115 HydrophobicContact CB-CE1 4.04Å; A95-Y115 PolarHBondContact O-OH 3.01Å; D96-Y115 WeakPolarHBondContact OD1-CE1 3.35Å; D96-Y115 PolarHBondContact OD1-OH 3.24Å; G111-Y115 WeakPolarHBondContact O-CB 3.35Å; G111-Y115 WeakPolarHBondContact O-CD2 3.41Å; G111-Y115 PolarHBondContact O-N 3.06Å; G113-Y115 PolarHBondContact O-N 3.48Å; Y115-A118 PolarHBondContact O-N 2.87Å; Y115-A119 WeakPolarHBondContact O-CB 3.49Å; Y115-A119 PolarHBondContact O-N 3.42Å; Y115-P133 HydrophobicContact CD1-CB 4.41Å; Y115-K136 HydrophobicContact CD1-CB 4.28Å; Y115-K136 HydrophobicContact CD1-CD 4.09Å; Y115-K136 HydrophobicContact CD2-CB 3.89Å; Y115-K136 HydrophobicContact CE1-CB 4.32Å; Y115-K136 HydrophobicContact CE1-CD 3.63Å; Y115-K136 HydrophobicContact CE2-CB 3.94Å; Y115-K136 HydrophobicContact CE2-CD 4.48Å; Y115-K136 HydrophobicContact CG-CB 4.07Å; Y115-L140 HydrophobicContact CD2-CD1 4.02Å; Y115-L140 HydrophobicContact CE2-CD1 4.32Å |
| 116 | A | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A112 G113 I114 A118 A119 M120 F137 L171 | A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.81Å; G113-A116 WeakPolarHBondContact O-CB 3.3Å; G113-A116 PolarHBondContact O-N 3.4Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.49Å; A116-A118 PolarHBondContact O-N 3.21Å; A116-A119 PolarHBondContact O-N 3.19Å; A116-M120 WeakPolarHBondContact O-CG 3.19Å; A116-M120 PolarHBondContact O-N 3.44Å; A116-M120 VanDerWaalsContact O-N 3.08Å; A116-F137 HydrophobicContact CB-CD2 4.36Å; A116-L171 HydrophobicContact CB-CD1 3.7Å; A116-L171 HydrophobicContact CB-CD2 4.04Å; A116-L171 HydrophobicContact CB-CG 3.82Å; A116-L171 WeakPolarHBondContact O-CD2 3.43Å |
| 117 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | L53 Y62 I88 G113 I114 A119 M120 I121 | L53-V117 HydrophobicContact CD1-CG2 3.91Å; L53-V117 HydrophobicContact CD2-CB 4.23Å; L53-V117 HydrophobicContact CD2-CG2 3.61Å; L53-V117 HydrophobicContact CG-CG2 4.45Å; Y62-V117 HydrophobicContact CD2-CG2 3.96Å; Y62-V117 HydrophobicContact CG-CG2 4.44Å; I88-V117 HydrophobicContact CD1-CB 4.06Å; I88-V117 HydrophobicContact CD1-CG1 3.8Å; I88-V117 HydrophobicContact CG1-CG1 4.22Å; G113-V117 WeakPolarHBondContact O-CG2 3.31Å; G113-V117 PolarHBondContact O-N 3.25Å; I114-V117 PolarHBondContact O-N 3.01Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-A119 PolarHBondContact O-N 3.39Å; V117-M120 HydrophobicContact CB-CE 4.24Å; V117-M120 HydrophobicContact CG2-CE 3.74Å; V117-M120 PolarHBondContact O-N 2.95Å; V117-I121 HydrophobicContact CG1-CD1 3.62Å; V117-I121 HydrophobicContact CG1-CG1 4.35Å; V117-I121 WeakPolarHBondContact O-CG1 3.29Å; V117-I121 PolarHBondContact O-N 3.47Å |
| 118 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I88 V92 I114 Y115 A116 M120 I121 Y122 P133 | I88-A118 HydrophobicContact CG1-CB 3.75Å; I88-A118 HydrophobicContact CG2-CB 4.41Å; V92-A118 HydrophobicContact CG2-CB 3.62Å; I114-A118 WeakPolarHBondContact O-CB 3.32Å; I114-A118 PolarHBondContact O-N 2.92Å; Y115-A118 PolarHBondContact O-N 2.87Å; A116-A118 PolarHBondContact O-N 3.21Å; A118-M120 PolarHBondContact O-N 3.37Å; A118-I121 PolarHBondContact O-N 3.44Å; A118-Y122 WeakPolarHBondContact O-CB 3.48Å; A118-Y122 VanDerWaalsContact O-CD1 3.22Å; A118-Y122 WeakPolarHBondContact O-CD1 3.37Å; A118-Y122 PolarHBondContact O-N 3Å; A118-P133 HydrophobicContact CB-CB 3.79Å; A118-P133 HydrophobicContact CB-CG 3.95Å |
| 119 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y115 A116 V117 K123 P133 L134 L171 | Y115-A119 WeakPolarHBondContact O-CB 3.49Å; Y115-A119 PolarHBondContact O-N 3.42Å; A116-A119 PolarHBondContact O-N 3.19Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-A119 PolarHBondContact O-N 3.39Å; A119-K123 VanDerWaalsContact O-CB 3.29Å; A119-K123 WeakPolarHBondContact O-CB 3.12Å; A119-K123 PolarHBondContact O-N 3.01Å; A119-P133 HydrophobicContact CB-CG 4.18Å; A119-L134 HydrophobicContact CB-CB 4.09Å; A119-L171 HydrophobicContact CB-CD2 4.24Å |
| 120 | M | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 176.5 | -67.4 | -175.2 | -67.1 | 0 | 0 | 112.1 | Y62 Y65 A116 V117 A118 K123 S124 V170 L171 K174 L175 L402 | Y62-M120 HydrophobicContact CD2-CE 4.17Å; Y62-M120 HydrophobicContact CE2-CE 4.27Å; Y65-M120 HydrophobicContact CD1-CB 4.48Å; Y65-M120 HydrophobicContact CE1-CB 4.04Å; Y65-M120 HydrophobicContact CE1-SD 4.03Å; Y65-M120 HydrophobicContact CE2-CB 4.25Å; A116-M120 WeakPolarHBondContact O-CG 3.19Å; A116-M120 PolarHBondContact O-N 3.44Å; A116-M120 VanDerWaalsContact O-N 3.08Å; V117-M120 HydrophobicContact CB-CE 4.24Å; V117-M120 HydrophobicContact CG2-CE 3.74Å; V117-M120 PolarHBondContact O-N 2.95Å; A118-M120 PolarHBondContact O-N 3.37Å; M120-K123 PolarHBondContact O-N 3.04Å; M120-S124 WeakPolarHBondContact O-CB 3.44Å; M120-S124 PolarHBondContact O-N 3.37Å; M120-V170 HydrophobicContact SD-CG1 4.19Å; M120-L171 HydrophobicContact CG-CD2 3.93Å; M120-K174 HydrophobicContact CG-CB 4.25Å; M120-K174 HydrophobicContact SD-CB 3.84Å; M120-K174 HydrophobicContact SD-CG 3.79Å; M120-L175 HydrophobicContact CG-CD2 4.39Å; M120-L402 HydrophobicContact CE-CD2 4.5Å |
| 121 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 179.1 | -69.9 | 164.1 | 0 | 0 | 0 | 110.8 | A61 Y65 A84 K85 I88 V117 A118 K123 S124 L125 | A61-I121 HydrophobicContact CB-CD1 3.98Å; Y65-I121 HydrophobicContact CD2-CG1 4.3Å; Y65-I121 HydrophobicContact CG-CG1 4.2Å; A84-I121 HydrophobicContact CB-CD1 3.8Å; A84-I121 HydrophobicContact CB-CG1 4.2Å; A84-I121 HydrophobicContact CB-CG2 4.31Å; K85-I121 HydrophobicContact CB-CG2 4.05Å; I88-I121 HydrophobicContact CB-CD1 3.96Å; I88-I121 HydrophobicContact CG1-CD1 4.26Å; I88-I121 HydrophobicContact CG2-CD1 3.85Å; V117-I121 HydrophobicContact CG1-CD1 3.62Å; V117-I121 HydrophobicContact CG1-CG1 4.35Å; V117-I121 WeakPolarHBondContact O-CG1 3.29Å; V117-I121 PolarHBondContact O-N 3.47Å; A118-I121 PolarHBondContact O-N 3.44Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 PolarHBondContact O-N 3.44Å; I121-S124 PolarHBondContact O-N 2.83Å; I121-L125 HydrophobicContact CG2-CD1 4.02Å; I121-L125 PolarHBondContact O-N 3.22Å |
| 122 | Y | 98.7 | Very high | 98.2 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | -177.8 | -72 | 13.6 | 0 | 0 | 0 | 111 | K85 I88 D89 A118 L125 G126 L127 D129 P133 | K85-Y122 HydrophobicContact CG-CD1 4.14Å; K85-Y122 HydrophobicContact CG-CE1 3.76Å; I88-Y122 HydrophobicContact CG2-CE1 4.08Å; D89-Y122 VanDerWaalsContact OD1-CE1 3.29Å; D89-Y122 WeakPolarHBondContact OD1-CE1 3.21Å; D89-Y122 VanDerWaalsContact OD1-CZ 3.26Å; D89-Y122 PolarHBondContact OD1-OH 3.22Å; A118-Y122 WeakPolarHBondContact O-CB 3.48Å; A118-Y122 VanDerWaalsContact O-CD1 3.22Å; A118-Y122 WeakPolarHBondContact O-CD1 3.37Å; A118-Y122 PolarHBondContact O-N 3Å; Y122-L125 PolarHBondContact O-N 3.42Å; Y122-G126 PolarHBondContact O-N 3.4Å; Y122-L127 WeakPolarHBondContact O-CB 3.25Å; Y122-L127 PolarHBondContact O-N 3.36Å; Y122-D129 HydrophobicContact CD2-CB 4.31Å; Y122-P133 HydrophobicContact CD2-CG 4.07Å; Y122-P133 HydrophobicContact CE2-CG 4.13Å |
| 123 | K | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 34.6 Ų | 34.6 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.8 | -175.7 | 67.6 | 175.2 | -179.8 | 0 | 111.8 | A119 M120 I121 L125 G126 F130 L175 | A119-K123 VanDerWaalsContact O-CB 3.29Å; A119-K123 WeakPolarHBondContact O-CB 3.12Å; A119-K123 PolarHBondContact O-N 3.01Å; M120-K123 PolarHBondContact O-N 3.04Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 PolarHBondContact O-N 3.44Å; K123-L125 PolarHBondContact O-N 3.07Å; K123-G126 WeakPolarHBondContact O-CA 3.49Å; K123-G126 PolarHBondContact O-N 2.9Å; K123-F130 HydrophobicContact CB-CB 4.16Å; K123-F130 HydrophobicContact CB-CD2 4.18Å; K123-F130 HydrophobicContact CB-CG 4.07Å; K123-F130 HydrophobicContact CD-CD1 3.94Å; K123-F130 HydrophobicContact CD-CD2 4.15Å; K123-F130 HydrophobicContact CD-CE1 3.86Å; K123-F130 HydrophobicContact CD-CE2 4.08Å; K123-F130 HydrophobicContact CD-CG 4.1Å; K123-F130 HydrophobicContact CD-CZ 3.93Å; K123-L175 HydrophobicContact CB-CD2 3.79Å; K123-L175 HydrophobicContact CG-CD2 3.85Å |
| 124 | S | 98 | Very high | 98.2 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -22.9 | -179.9 | -166.6 | 0 | 0 | 0 | 0 | 113 | E69 R77 M120 I121 G126 | E69-S124 PolarHBondContact OE1-OG 3.21Å; R77-S124 PolarHBondContact NH2-O 3.32Å; R77-S124 PolarHBondContact NH2-OG 3.41Å; M120-S124 WeakPolarHBondContact O-CB 3.44Å; M120-S124 PolarHBondContact O-N 3.37Å; I121-S124 PolarHBondContact O-N 2.83Å; S124-G126 VanDerWaalsContact C-N 3.33Å |
| 125 | L | 98.1 | Very high | 98.2 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2.8 | 168.4 | -76.7 | 170.1 | 0 | 0 | 0 | 114.3 | L81 K82 K85 I121 Y122 K123 L127 | L81-L125 HydrophobicContact CB-CD2 3.55Å; L81-L125 HydrophobicContact CB-CG 3.91Å; L81-L125 HydrophobicContact CD1-CD2 4.26Å; L81-L125 HydrophobicContact CD1-CG 4.46Å; K82-L125 HydrophobicContact CG-CD2 4.48Å; K85-L125 HydrophobicContact CB-CD1 3.83Å; K85-L125 HydrophobicContact CD-CD1 3.9Å; K85-L125 HydrophobicContact CG-CD1 4.06Å; I121-L125 HydrophobicContact CG2-CD1 4.02Å; I121-L125 PolarHBondContact O-N 3.22Å; Y122-L125 PolarHBondContact O-N 3.42Å; K123-L125 PolarHBondContact O-N 3.07Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 HydrophobicContact CB-CD1 4.11Å; L125-L127 HydrophobicContact CB-CG 3.87Å; L125-L127 HydrophobicContact CD1-CD1 4.16Å; L125-L127 PolarHBondContact O-N 3.35Å |
| 126 | G | 97.7 | Very high | 98.2 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 69% | 0.691 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 15.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y122 K123 S124 | Y122-G126 PolarHBondContact O-N 3.4Å; K123-G126 WeakPolarHBondContact O-CA 3.49Å; K123-G126 PolarHBondContact O-N 2.9Å; S124-G126 VanDerWaalsContact C-N 3.33Å |
| 127 | L | 97.9 | Very high | 98.2 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 34% | 0.335 | 23% | 0.23 | S | C | . | . | trans | -82.9 | 122.3 | -178.8 | -56.2 | 177.2 | 0 | 0 | 0 | 110.7 | K85 Y122 L125 D129 F130 | K85-L127 HydrophobicContact CD-CD1 4.07Å; K85-L127 VanDerWaalsContact CE-CD1 3.49Å; Y122-L127 WeakPolarHBondContact O-CB 3.25Å; Y122-L127 PolarHBondContact O-N 3.36Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 HydrophobicContact CB-CD1 4.11Å; L125-L127 HydrophobicContact CB-CG 3.87Å; L125-L127 HydrophobicContact CD1-CD1 4.16Å; L125-L127 PolarHBondContact O-N 3.35Å; L127-D129 PolarHBondContact O-N 3.07Å; L127-D129 VanDerWaalsContact O-N 3.12Å; L127-F130 VanDerWaalsContact O-CD1 3.31Å; L127-F130 WeakPolarHBondContact O-CD1 3.47Å; L127-F130 PolarHBondContact O-N 3.47Å | ||
| 128 | A | 96.8 | Very high | 98.2 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -59.4 | -23.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F130 V131 | A128-F130 WeakPolarHBondContact O-CD1 3.5Å; A128-F130 PolarHBondContact O-N 3.06Å; A128-V131 WeakPolarHBondContact O-CG2 3.48Å; A128-V131 PolarHBondContact O-N 3.28Å |
| 129 | D | 95.9 | Very high | 98.2 | Very high | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -62.8 | -9.4 | 178.7 | -90.3 | 5 | 0 | 0 | 0 | 114.5 | Y122 L127 V131 K132 P133 | Y122-D129 HydrophobicContact CD2-CB 4.31Å; L127-D129 PolarHBondContact O-N 3.07Å; L127-D129 VanDerWaalsContact O-N 3.12Å; D129-V131 PolarHBondContact O-N 3.36Å; D129-K132 HydrophobicContact CB-CD 4.42Å; D129-K132 WeakPolarHBondContact O-CB 3.22Å; D129-K132 PolarHBondContact O-N 3.33Å; D129-K132 VanDerWaalsContact OD1-CE 3.3Å; D129-K132 WeakPolarHBondContact OD1-CE 3.22Å; D129-K132 IonicContact OD1-NZ 2.73Å; D129-K132 PolarHBondContact OD1-NZ 2.83Å; D129-K132 IonicContact OD2-NZ 3Å; D129-K132 PolarHBondContact OD2-NZ 3.46Å; D129-P133 VanDerWaalsContact O-CD 3.26Å; D129-P133 WeakPolarHBondContact O-CD 3.46Å |
| 130 | F | 98.1 | Very high | 98.1 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -54.7 | -24.9 | 172.7 | 85.5 | -81 | 0 | 0 | 0 | 113.3 | K123 L127 A128 K132 P133 L134 I177 | K123-F130 HydrophobicContact CB-CB 4.16Å; K123-F130 HydrophobicContact CB-CD2 4.18Å; K123-F130 HydrophobicContact CB-CG 4.07Å; K123-F130 HydrophobicContact CD-CD1 3.94Å; K123-F130 HydrophobicContact CD-CD2 4.15Å; K123-F130 HydrophobicContact CD-CE1 3.86Å; K123-F130 HydrophobicContact CD-CE2 4.08Å; K123-F130 HydrophobicContact CD-CG 4.1Å; K123-F130 HydrophobicContact CD-CZ 3.93Å; L127-F130 VanDerWaalsContact O-CD1 3.31Å; L127-F130 WeakPolarHBondContact O-CD1 3.47Å; L127-F130 PolarHBondContact O-N 3.47Å; A128-F130 WeakPolarHBondContact O-CD1 3.5Å; A128-F130 PolarHBondContact O-N 3.06Å; F130-K132 PolarHBondContact O-N 3.05Å; F130-P133 WeakPolarHBondContact O-CD 3.44Å; F130-P133 WeakPolarHBondContact O-CG 3.46Å; F130-L134 HydrophobicContact CD2-CD2 4.36Å; F130-L134 HydrophobicContact CE2-CD2 4.08Å; F130-L134 VanDerWaalsContact O-CB 3.26Å; F130-L134 WeakPolarHBondContact O-CB 3.43Å; F130-L134 PolarHBondContact O-N 2.88Å; F130-I177 HydrophobicContact CE2-CD1 4.36Å |
| 131 | V | 98.1 | Very high | 98.1 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -29.9 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 112 | A128 D129 T135 | A128-V131 WeakPolarHBondContact O-CG2 3.48Å; A128-V131 PolarHBondContact O-N 3.28Å; D129-V131 PolarHBondContact O-N 3.36Å; V131-T135 VanDerWaalsContact O-CB 3.29Å; V131-T135 WeakPolarHBondContact O-CB 3.32Å; V131-T135 PolarHBondContact O-N 3.25Å; V131-T135 PolarHBondContact O-OG1 2.68Å |
| 132 | K | 98.3 | Very high | 98 | Very high | 121 Ų | 121 | 57.8 Ų | 57.8 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -60.6 | -179.3 | -65.7 | 171.8 | -177.4 | 164.4 | 0 | 112.2 | D129 F130 L134 T135 K136 | D129-K132 HydrophobicContact CB-CD 4.42Å; D129-K132 WeakPolarHBondContact O-CB 3.22Å; D129-K132 PolarHBondContact O-N 3.33Å; D129-K132 VanDerWaalsContact OD1-CE 3.3Å; D129-K132 WeakPolarHBondContact OD1-CE 3.22Å; D129-K132 IonicContact OD1-NZ 2.73Å; D129-K132 PolarHBondContact OD1-NZ 2.83Å; D129-K132 IonicContact OD2-NZ 3Å; D129-K132 PolarHBondContact OD2-NZ 3.46Å; F130-K132 PolarHBondContact O-N 3.05Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 3.31Å; K132-T135 PolarHBondContact O-N 2.83Å; K132-K136 PolarHBondContact O-N 3.41Å |
| 133 | P | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.032 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 176 | 26.5 | -34.5 | 0 | 0 | 0 | 111.8 | Y115 A118 A119 Y122 D129 F130 T135 K136 F137 | Y115-P133 HydrophobicContact CD1-CB 4.41Å; A118-P133 HydrophobicContact CB-CB 3.79Å; A118-P133 HydrophobicContact CB-CG 3.95Å; A119-P133 HydrophobicContact CB-CG 4.18Å; Y122-P133 HydrophobicContact CD2-CG 4.07Å; Y122-P133 HydrophobicContact CE2-CG 4.13Å; D129-P133 VanDerWaalsContact O-CD 3.26Å; D129-P133 WeakPolarHBondContact O-CD 3.46Å; F130-P133 WeakPolarHBondContact O-CD 3.44Å; F130-P133 WeakPolarHBondContact O-CG 3.46Å; P133-T135 VanDerWaalsContact C-N 3.33Å; P133-T135 PolarHBondContact O-N 3.22Å; P133-K136 WeakPolarHBondContact O-CB 3.21Å; P133-K136 PolarHBondContact O-N 3.29Å; P133-F137 PolarHBondContact O-N 3.31Å |
| 134 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.5 | -180 | 60.4 | 0 | 0 | 0 | 112.7 | A119 F130 K132 F137 R138 L171 L175 I177 I179 | A119-L134 HydrophobicContact CB-CB 4.09Å; F130-L134 HydrophobicContact CD2-CD2 4.36Å; F130-L134 HydrophobicContact CE2-CD2 4.08Å; F130-L134 VanDerWaalsContact O-CB 3.26Å; F130-L134 WeakPolarHBondContact O-CB 3.43Å; F130-L134 PolarHBondContact O-N 2.88Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 3.31Å; L134-F137 PolarHBondContact O-N 3.46Å; L134-R138 HydrophobicContact CD1-CG 4.48Å; L134-R138 WeakPolarHBondContact O-CB 3.3Å; L134-R138 VanDerWaalsContact O-CG 3.28Å; L134-R138 WeakPolarHBondContact O-CG 3.4Å; L134-R138 PolarHBondContact O-N 3.28Å; L134-L171 HydrophobicContact CD1-CD1 4.29Å; L134-L175 HydrophobicContact CD1-CD1 4.46Å; L134-L175 HydrophobicContact CD2-CD1 4.39Å; L134-I177 HydrophobicContact CD2-CD1 3.84Å; L134-I179 HydrophobicContact CD1-CD1 3.98Å; L134-I179 HydrophobicContact CD1-CG2 4.2Å |
| 135 | T | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 177 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | V131 K132 P133 F137 R138 N139 | V131-T135 VanDerWaalsContact O-CB 3.29Å; V131-T135 WeakPolarHBondContact O-CB 3.32Å; V131-T135 PolarHBondContact O-N 3.25Å; V131-T135 PolarHBondContact O-OG1 2.68Å; K132-T135 PolarHBondContact O-N 2.83Å; P133-T135 VanDerWaalsContact C-N 3.33Å; P133-T135 PolarHBondContact O-N 3.22Å; T135-F137 PolarHBondContact O-N 3.33Å; T135-R138 PolarHBondContact O-N 3.28Å; T135-N139 VanDerWaalsContact O-CG 3.24Å; T135-N139 PolarHBondContact O-N 3.4Å; T135-N139 PolarHBondContact O-OD1 2.77Å |
| 136 | K | 98.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 54 Ų | 54 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58 | -49.6 | 172.9 | -67.2 | 178 | 179.5 | 176.9 | 0 | 111.1 | D96 Y115 K132 P133 R138 N139 L140 | D96-K136 IonicContact OD1-NZ 2.6Å; D96-K136 PolarHBondContact OD1-NZ 3.23Å; D96-K136 IonicContact OD2-NZ 2.83Å; D96-K136 PolarHBondContact OD2-NZ 3.23Å; Y115-K136 HydrophobicContact CD1-CB 4.28Å; Y115-K136 HydrophobicContact CD1-CD 4.09Å; Y115-K136 HydrophobicContact CD2-CB 3.89Å; Y115-K136 HydrophobicContact CE1-CB 4.32Å; Y115-K136 HydrophobicContact CE1-CD 3.63Å; Y115-K136 HydrophobicContact CE2-CB 3.94Å; Y115-K136 HydrophobicContact CE2-CD 4.48Å; Y115-K136 HydrophobicContact CG-CB 4.07Å; K132-K136 PolarHBondContact O-N 3.41Å; P133-K136 WeakPolarHBondContact O-CB 3.21Å; P133-K136 PolarHBondContact O-N 3.29Å; K136-R138 VanDerWaalsContact C-N 3.34Å; K136-R138 PolarHBondContact O-N 3.4Å; K136-N139 PolarHBondContact O-N 3.15Å; K136-L140 WeakPolarHBondContact O-CG 3.17Å; K136-L140 PolarHBondContact O-N 2.98Å |
| 137 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.7 | -48.2 | 175.3 | 175.6 | -90.6 | 0 | 0 | 0 | 112.3 | A112 A116 P133 L134 T135 N139 L140 Y164 A167 A168 L171 I179 | A112-F137 HydrophobicContact CB-CD2 4.1Å; A112-F137 HydrophobicContact CB-CE2 4Å; A112-F137 VanDerWaalsContact O-CD2 3.3Å; A112-F137 WeakPolarHBondContact O-CD2 3.24Å; A116-F137 HydrophobicContact CB-CD2 4.36Å; P133-F137 PolarHBondContact O-N 3.31Å; L134-F137 PolarHBondContact O-N 3.46Å; T135-F137 PolarHBondContact O-N 3.33Å; F137-N139 VanDerWaalsContact C-N 3.3Å; F137-N139 PolarHBondContact O-N 3.36Å; F137-L140 WeakPolarHBondContact O-CB 2.78Å; F137-L140 PolarHBondContact O-N 2.96Å; F137-Y164 HydrophobicContact CD1-CE2 4.46Å; F137-Y164 HydrophobicContact CD2-CE2 4.18Å; F137-Y164 AromaticContact CE1-CE2 3.94Å; F137-Y164 HydrophobicContact CE1-CE2 3.94Å; F137-Y164 AromaticContact CE2-CD2 3.9Å; F137-Y164 HydrophobicContact CE2-CD2 3.9Å; F137-Y164 AromaticContact CE2-CE2 3.65Å; F137-Y164 HydrophobicContact CE2-CE2 3.65Å; F137-Y164 AromaticContact CZ-CD2 3.89Å; F137-Y164 HydrophobicContact CZ-CD2 3.89Å; F137-Y164 AromaticContact CZ-CE2 3.5Å; F137-Y164 HydrophobicContact CZ-CE2 3.5Å; F137-Y164 WeakPolarHBondContact O-CE2 3.41Å; F137-Y164 PolarHBondContact O-OH 2.91Å; F137-A167 HydrophobicContact CE2-CB 3.49Å; F137-A167 VanDerWaalsContact CE2-CB 3.49Å; F137-A167 HydrophobicContact CZ-CB 3.71Å; F137-A168 HydrophobicContact CE1-CB 4.01Å; F137-A168 HydrophobicContact CZ-CB 3.98Å; F137-L171 HydrophobicContact CD1-CD1 3.6Å; F137-L171 HydrophobicContact CD2-CD1 4.14Å; F137-L171 HydrophobicContact CE1-CD1 3.67Å; F137-L171 HydrophobicContact CE2-CD1 4.18Å; F137-L171 HydrophobicContact CG-CD1 3.86Å; F137-L171 HydrophobicContact CZ-CD1 3.97Å; F137-I179 HydrophobicContact CD1-CG2 3.8Å; F137-I179 HydrophobicContact CE1-CG2 3.55Å |
| 138 | R | 98.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 56.3 Ų | 56.3 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | -179.8 | -78.4 | 173.3 | 169 | 162.2 | -1.6 | 111.9 | L134 T135 K136 L140 W141 Y164 E178 I179 L180 | L134-R138 HydrophobicContact CD1-CG 4.48Å; L134-R138 WeakPolarHBondContact O-CB 3.3Å; L134-R138 VanDerWaalsContact O-CG 3.28Å; L134-R138 WeakPolarHBondContact O-CG 3.4Å; L134-R138 PolarHBondContact O-N 3.28Å; T135-R138 PolarHBondContact O-N 3.28Å; K136-R138 VanDerWaalsContact C-N 3.34Å; K136-R138 PolarHBondContact O-N 3.4Å; R138-L140 PolarHBondContact O-N 2.69Å; R138-W141 PolarHBondContact O-N 3Å; R138-Y164 PolarHBondContact O-OH 2.87Å; R138-E178 PolarHBondContact NH2-O 3.37Å; R138-I179 WeakPolarHBondContact CD-O 3.43Å; R138-I179 HydrophobicContact CG-CG2 4.41Å; R138-I179 VanDerWaalsContact CG-O 3.3Å; R138-I179 WeakPolarHBondContact CG-O 3.34Å; R138-I179 PolarHBondContact NE-O 2.93Å; R138-L180 HydrophobicContact CG-CD2 4.4Å |
| 139 | N | 98.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.5 | -19.9 | -177.7 | -67.3 | -8.9 | 0 | 0 | 0 | 113.4 | T135 K136 F137 W141 E142 | T135-N139 VanDerWaalsContact O-CG 3.24Å; T135-N139 PolarHBondContact O-N 3.4Å; T135-N139 PolarHBondContact O-OD1 2.77Å; K136-N139 PolarHBondContact O-N 3.15Å; F137-N139 VanDerWaalsContact C-N 3.3Å; F137-N139 PolarHBondContact O-N 3.36Å; N139-W141 PolarHBondContact O-N 3.28Å; N139-W141 VanDerWaalsContact O-N 3.12Å; N139-E142 PolarHBondContact O-N 3.41Å |
| 140 | L | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.5 | 177.8 | -62.7 | 168.3 | 0 | 0 | 0 | 113.5 | R104 A105 A112 Y115 K136 F137 R138 E142 V143 C144 Y164 | R104-L140 HydrophobicContact CB-CD2 4.12Å; R104-L140 VanDerWaalsContact O-CD1 3.22Å; R104-L140 WeakPolarHBondContact O-CD1 3.49Å; A105-L140 HydrophobicContact CB-CB 4.47Å; A105-L140 HydrophobicContact CB-CD2 4.35Å; A112-L140 HydrophobicContact CB-CD1 3.72Å; Y115-L140 HydrophobicContact CD2-CD1 4.02Å; Y115-L140 HydrophobicContact CE2-CD1 4.32Å; K136-L140 WeakPolarHBondContact O-CG 3.17Å; K136-L140 PolarHBondContact O-N 2.98Å; F137-L140 WeakPolarHBondContact O-CB 2.78Å; F137-L140 PolarHBondContact O-N 2.96Å; R138-L140 PolarHBondContact O-N 2.69Å; L140-E142 PolarHBondContact O-N 3.09Å; L140-E142 VanDerWaalsContact O-N 3.15Å; L140-V143 WeakPolarHBondContact O-CB 3.3Å; L140-V143 PolarHBondContact O-N 2.92Å; L140-C144 PolarHBondContact O-N 3.18Å; L140-Y164 HydrophobicContact CB-CD2 4.47Å; L140-Y164 HydrophobicContact CB-CE2 3.78Å |
| 141 | W | 97.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.4 | -32.1 | 174.6 | 86.4 | -80.4 | 0 | 0 | 0 | 112.3 | R138 N139 V143 C144 A145 Y164 L180 Q184 I188 | R138-W141 PolarHBondContact O-N 3Å; N139-W141 PolarHBondContact O-N 3.28Å; N139-W141 VanDerWaalsContact O-N 3.12Å; W141-V143 VanDerWaalsContact C-N 3.28Å; W141-V143 PolarHBondContact O-N 3.1Å; W141-C144 PolarHBondContact O-N 3.33Å; W141-A145 HydrophobicContact CE3-CB 4.06Å; W141-A145 HydrophobicContact CZ3-CB 4.06Å; W141-A145 WeakPolarHBondContact O-CB 3.3Å; W141-A145 PolarHBondContact O-N 3.21Å; W141-Y164 HydrophobicContact CB-CE1 3.95Å; W141-Y164 PolarHBondContact N-OH 3.23Å; W141-Y164 VanDerWaalsContact N-OH 3.16Å; W141-L180 HydrophobicContact CB-CD2 4.49Å; W141-Q184 VanDerWaalsContact CD1-NE2 3.27Å; W141-Q184 HydrophobicContact CD2-CB 4.32Å; W141-Q184 HydrophobicContact CD2-CG 3.67Å; W141-Q184 HydrophobicContact CE3-CB 4.22Å; W141-Q184 HydrophobicContact CE3-CG 3.84Å; W141-Q184 HydrophobicContact CG-CG 4.11Å; W141-Q184 HydrophobicContact CH2-CG 4.46Å; W141-Q184 HydrophobicContact CZ2-CG 4.33Å; W141-Q184 HydrophobicContact CZ3-CG 4.23Å; W141-Q184 VanDerWaalsContact NE1-NE2 3.13Å; W141-I188 HydrophobicContact CB-CD1 4.28Å |
| 142 | E | 96.6 | Very high | 95.6 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.2 | -32.6 | 179 | -60.8 | -176.5 | 164.2 | 0 | 0 | 111.8 | N139 L140 P146 | N139-E142 PolarHBondContact O-N 3.41Å; L140-E142 PolarHBondContact O-N 3.09Å; L140-E142 VanDerWaalsContact O-N 3.15Å; E142-P146 VanDerWaalsContact O-CD 3.23Å; E142-P146 WeakPolarHBondContact O-CD 3.21Å |
| 143 | V | 96.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 52 Ų | 52 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.6 | -38.6 | 175 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | Q101 A105 L140 W141 P146 F149 | Q101-V143 HydrophobicContact CB-CG2 4.42Å; A105-V143 HydrophobicContact CB-CB 3.92Å; A105-V143 HydrophobicContact CB-CG1 3.68Å; L140-V143 WeakPolarHBondContact O-CB 3.3Å; L140-V143 PolarHBondContact O-N 2.92Å; W141-V143 VanDerWaalsContact C-N 3.28Å; W141-V143 PolarHBondContact O-N 3.1Å; V143-P146 WeakPolarHBondContact O-CD 3.38Å; V143-F149 HydrophobicContact CG1-CD2 3.85Å; V143-F149 HydrophobicContact CG1-CE2 4.34Å; V143-F149 HydrophobicContact CG1-CG 4.49Å; V143-F149 WeakPolarHBondContact O-CB 3.22Å; V143-F149 WeakPolarHBondContact O-CG 3.09Å |
| 144 | C | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79.8 | -21.2 | -177.3 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | L140 W141 R161 Y164 | L140-C144 PolarHBondContact O-N 3.18Å; W141-C144 PolarHBondContact O-N 3.33Å; C144-R161 HydrophobicContact CB-CG 4.3Å; C144-R161 WeakPolarHBondContact O-CD 3.01Å; C144-R161 PolarHBondContact O-NE 2.58Å; C144-Y164 HydrophobicContact CB-CD1 4.17Å |
| 145 | A | 94.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -67.7 | -39.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | W141 A191 | W141-A145 HydrophobicContact CE3-CB 4.06Å; W141-A145 HydrophobicContact CZ3-CB 4.06Å; W141-A145 WeakPolarHBondContact O-CB 3.3Å; W141-A145 PolarHBondContact O-N 3.21Å; A145-A191 WeakPolarHBondContact O-CB 3.49Å |
| 146 | P | 95.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -61.4 | 144.4 | 174.3 | -24 | 34.5 | 0 | 0 | 0 | 112.2 | E142 V143 N148 R161 | E142-P146 VanDerWaalsContact O-CD 3.23Å; E142-P146 WeakPolarHBondContact O-CD 3.21Å; V143-P146 WeakPolarHBondContact O-CD 3.38Å; P146-N148 PolarHBondContact O-N 3.37Å; P146-R161 PolarHBondContact O-NH2 2.86Å |
| 147 | I | 93.6 | Very high | 95.2 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.4 | -176.7 | -67.8 | 173.4 | 0 | 0 | 0 | 113.4 | R161 A191 E194 | I147-R161 PolarHBondContact O-NH2 3.3Å; I147-A191 HydrophobicContact CG1-CB 4.44Å; I147-E194 HydrophobicContact CD1-CB 4.2Å; I147-E194 HydrophobicContact CD1-CG 3.74Å |
| 148 | N | 87.1 | Confident | 95.2 | Very high | 129 Ų | 129 | 47.1 Ų | 47.1 | 69% | 0.69 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 61.2 | -176.9 | -59.7 | -54.8 | 0 | 0 | 0 | 110.7 | P146 | P146-N148 PolarHBondContact O-N 3.37Š|
| 149 | F | 91.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -79.2 | -26.3 | 178.9 | 84.7 | -92.4 | 0 | 0 | 0 | 112.8 | N102 V143 S154 R161 | N102-F149 HydrophobicContact CB-CD2 4.36Å; N102-F149 HydrophobicContact CB-CE2 4.48Å; N102-F149 PolarHBondContact ND2-O 2.95Å; N102-F149 PolarHBondContact OD1-O 3.48Å; V143-F149 HydrophobicContact CG1-CD2 3.85Å; V143-F149 HydrophobicContact CG1-CE2 4.34Å; V143-F149 HydrophobicContact CG1-CG 4.49Å; V143-F149 WeakPolarHBondContact O-CB 3.22Å; V143-F149 WeakPolarHBondContact O-CG 3.09Å; F149-S154 WeakPolarHBondContact CE1-O 3.47Å; F149-S154 PolarHBondContact N-OG 2.59Å; F149-R161 HydrophobicContact CE1-CG 3.94Å |
| 150 | L | 91.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | trans | -115.2 | 127.5 | 171.9 | -77.5 | 165.9 | 0 | 0 | 0 | 111.1 | N102 C152 G153 S154 V159 | N102-L150 HydrophobicContact CB-CD2 3.63Å; N102-L150 HydrophobicContact CB-CG 4.32Å; L150-C152 VanDerWaalsContact C-N 3.3Å; L150-C152 PolarHBondContact O-N 2.92Å; L150-G153 PolarHBondContact O-N 3.38Å; L150-S154 PolarHBondContact N-OG 3.12Å; L150-S154 PolarHBondContact O-OG 3.15Å; L150-V159 HydrophobicContact CD1-CB 4.11Å; L150-V159 HydrophobicContact CD1-CG2 3.72Å | ||
| 151 | E | 89.6 | Confident | 95.1 | Very high | 210 Ų | 210 | 38.8 Ų | 38.8 | 98% | 0.981 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -35.4 | 175.9 | -65.2 | -171.6 | 168.1 | 0 | 0 | 112.6 | G153 | E151-G153 PolarHBondContact O-N 3.38Š|
| 152 | C | 90.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.6 | -178.6 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | L150 Y213 Y214 | L150-C152 VanDerWaalsContact C-N 3.3Å; L150-C152 PolarHBondContact O-N 2.92Å; C152-Y213 HydrophobicContact CB-CD2 4.45Å; C152-Y213 HydrophobicContact CB-CE2 4.22Å; C152-Y213 CarbonylContact O-C 3.34Å; C152-Y213 VanDerWaalsContact O-CA 3.24Å; C152-Y213 WeakPolarHBondContact O-CA 3.03Å; C152-Y214 HydrophobicContact CB-CD1 3.75Å; C152-Y214 HydrophobicContact CB-CD2 3.92Å; C152-Y214 HydrophobicContact CB-CE1 3.49Å; C152-Y214 VanDerWaalsContact CB-CE1 3.49Å; C152-Y214 HydrophobicContact CB-CE2 3.68Å; C152-Y214 HydrophobicContact CB-CG 3.96Å; C152-Y214 VanDerWaalsContact CB-CZ 3.45Å; C152-Y214 PolarHBondContact O-N 3.17Å |
| 153 | G | 93.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | trans | 116.2 | 128.6 | -172 | 0 | 0 | 0 | 0 | 0 | 110.4 | L150 E151 S212 | L150-G153 PolarHBondContact O-N 3.38Å; E151-G153 PolarHBondContact O-N 3.38Å; G153-S212 WeakPolarHBondContact CA-O 3.41Å | ||
| 154 | S | 96.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.035 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -108.3 | 3.2 | -162.7 | -59.9 | 0 | 0 | 0 | 0 | 114.3 | F149 L150 G160 R161 | F149-S154 WeakPolarHBondContact CE1-O 3.47Å; F149-S154 PolarHBondContact N-OG 2.59Å; L150-S154 PolarHBondContact N-OG 3.12Å; L150-S154 PolarHBondContact O-OG 3.15Å; S154-G160 CarbonylContact O-C 3.12Å; S154-G160 WeakPolarHBondContact O-CA 3.25Å; S154-R161 PolarHBondContact O-N 3.28Å; S154-R161 PolarHBondContact O-NH1 3.46Å; S154-R161 VanDerWaalsContact O-NH1 3.12Å |
| 155 | D | 98.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | trans | -113.3 | -19 | -163.3 | -69.7 | -66.3 | 0 | 0 | 0 | 115.4 | R161 A162 I192 S195 Y211 V228 | D155-R161 IonicContact OD1-CZ 2.69Å; D155-R161 IonicContact OD1-NH1 3.95Å; D155-R161 PolarHBondContact OD1-NH1 2.94Å; D155-R161 IonicContact OD2-NH1 3.99Å; D155-R161 PolarHBondContact OD2-NH1 2.91Å; D155-A162 WeakPolarHBondContact O-CB 3.39Å; D155-A162 PolarHBondContact O-N 3.16Å; D155-A162 VanDerWaalsContact O-N 3.08Å; D155-I192 WeakPolarHBondContact OD1-CA 3.49Å; D155-I192 WeakPolarHBondContact OD1-CG1 3.4Å; D155-S195 PolarHBondContact OD1-OG 3.08Å; D155-S195 WeakPolarHBondContact OD2-CB 3.32Å; D155-S195 PolarHBondContact OD2-OG 3.45Å; D155-Y211 HydrophobicContact CB-CD1 3.56Å; D155-Y211 HydrophobicContact CB-CE1 3.99Å; D155-Y211 HydrophobicContact CB-CG 4.2Å; D155-Y211 WeakPolarHBondContact OD2-CD1 3.3Å; D155-V228 HydrophobicContact CB-CG2 4.35Å; D155-V228 WeakPolarHBondContact O-CG2 3.37Å | ||
| 156 | E | 98.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -73 | -179.4 | -172 | 62.7 | 68.1 | -101.3 | 0 | 0 | 114.3 | F158 V159 G160 G163 Y213 H223 | E156-F158 VanDerWaalsContact CD-N 3.33Å; E156-F158 PolarHBondContact OE1-N 3.4Å; E156-F158 VanDerWaalsContact OE1-N 3.1Å; E156-F158 WeakPolarHBondContact OE2-CB 3.42Å; E156-F158 PolarHBondContact OE2-N 3.49Å; E156-V159 WeakPolarHBondContact OE1-CA 3.46Å; E156-V159 WeakPolarHBondContact OE1-CG2 3.47Å; E156-V159 PolarHBondContact OE1-N 3.11Å; E156-G160 CarbonylContact O-C 3.39Å; E156-G160 VanDerWaalsContact O-C 3.27Å; E156-G160 WeakPolarHBondContact O-CA 3.37Å; E156-G160 PolarHBondContact O-N 3.47Å; E156-G160 VanDerWaalsContact O-N 3.15Å; E156-G160 PolarHBondContact OE1-N 2.88Å; E156-G163 PolarHBondContact O-N 3.44Å; E156-Y213 HydrophobicContact CG-CD1 4.41Å; E156-Y213 HydrophobicContact CG-CD2 3.76Å; E156-Y213 HydrophobicContact CG-CE2 4.23Å; E156-Y213 HydrophobicContact CG-CG 3.85Å; E156-H223 WeakPolarHBondContact CB-O 3.24Å; E156-H223 HydrophobicContact CG-CB 4.49Å; E156-H223 IonicContact OE2-CE1 3.33Å; E156-H223 IonicContact OE2-CG 3.23Å; E156-H223 IonicContact OE2-ND1 3.73Å; E156-H223 PolarHBondContact OE2-ND1 3.17Å |
| 157 | L | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -79.4 | -32.3 | -167.6 | -175.9 | 65.7 | 0 | 0 | 0 | 113.8 | F107 G163 C166 A221 A222 W280 F403 | F107-L157 HydrophobicContact CD1-CD1 4.3Å; F107-L157 HydrophobicContact CE1-CD1 4.41Å; L157-G163 WeakPolarHBondContact O-CA 3.2Å; L157-C166 HydrophobicContact CD1-CB 3.85Å; L157-A221 WeakPolarHBondContact CD2-O 3.42Å; L157-A222 WeakPolarHBondContact CB-O 3.41Å; L157-A222 PolarHBondContact N-O 3.33Å; L157-W280 HydrophobicContact CD2-CH2 3.72Å; L157-W280 HydrophobicContact CD2-CZ2 3.65Å; L157-F403 HydrophobicContact CD1-CD2 4.02Å; L157-F403 HydrophobicContact CD1-CE2 3.97Å; L157-F403 HydrophobicContact CD2-CD2 3.75Å; L157-F403 HydrophobicContact CD2-CE2 3.71Å; L157-F403 HydrophobicContact CD2-CZ 4.45Å; L157-F403 HydrophobicContact CG-CE2 4.49Å |
| 158 | F | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -78.3 | -44 | -168.3 | -78.6 | 31.7 | 0 | 0 | 0 | 111.3 | Y54 F107 L108 L109 E156 A222 H223 W280 | Y54-F158 HydrophobicContact CD2-CD2 4.49Å; Y54-F158 AromaticContact CD2-CE2 3.66Å; Y54-F158 HydrophobicContact CD2-CE2 3.66Å; Y54-F158 AromaticContact CD2-CZ 3.88Å; Y54-F158 HydrophobicContact CD2-CZ 3.88Å; Y54-F158 AromaticContact CE2-CE2 3.56Å; Y54-F158 HydrophobicContact CE2-CE2 3.56Å; Y54-F158 AromaticContact CE2-CZ 3.62Å; Y54-F158 HydrophobicContact CE2-CZ 3.62Å; Y54-F158 HydrophobicContact CG-CE2 4.41Å; F107-F158 CarbonylContact C-O 3.5Å; F107-F158 WeakPolarHBondContact CA-O 3.32Å; F107-F158 PolarHBondContact N-O 3.43Å; L108-F158 HydrophobicContact CB-CG 4.43Å; L108-F158 HydrophobicContact CD1-CD1 3.66Å; L108-F158 HydrophobicContact CD1-CE1 3.63Å; L108-F158 HydrophobicContact CD1-CG 4.23Å; L108-F158 HydrophobicContact CD1-CZ 4.22Å; L108-F158 PolarHBondContact N-O 2.94Å; L109-F158 HydrophobicContact CD1-CB 4.34Å; L109-F158 HydrophobicContact CD1-CD2 4.14Å; L109-F158 HydrophobicContact CD2-CD2 4.41Å; L109-F158 HydrophobicContact CG-CB 4.34Å; L109-F158 HydrophobicContact CG-CD2 4.18Å; E156-F158 VanDerWaalsContact CD-N 3.33Å; E156-F158 PolarHBondContact OE1-N 3.4Å; E156-F158 VanDerWaalsContact OE1-N 3.1Å; E156-F158 WeakPolarHBondContact OE2-CB 3.42Å; E156-F158 PolarHBondContact OE2-N 3.49Å; F158-A222 HydrophobicContact CD1-CB 4.14Å; F158-A222 HydrophobicContact CE1-CB 3.37Å; F158-A222 HydrophobicContact CZ-CB 3.64Å; F158-H223 AromaticContact CD2-CE1 3.38Å; F158-H223 WeakPolarHBondContact CD2-CE1 3.32Å; F158-H223 AromaticContact CE2-CE1 3.79Å; F158-H223 AromaticContact CG-CE1 3.53Å; F158-W280 AromaticContact CE1-CH2 3.84Å; F158-W280 HydrophobicContact CE1-CH2 3.84Å; F158-W280 AromaticContact CE1-CZ3 3.84Å; F158-W280 HydrophobicContact CE1-CZ3 3.84Å; F158-W280 HydrophobicContact CZ-CH2 4.46Å; F158-W280 HydrophobicContact CZ-CZ3 4.03Å |
| 159 | V | 97.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -128.1 | -16.2 | -173.3 | -56.9 | 0 | 0 | 0 | 0 | 113.1 | A106 L109 L150 E156 Y213 | A106-V159 HydrophobicContact CB-CB 3.78Å; A106-V159 HydrophobicContact CB-CG1 3.72Å; L109-V159 HydrophobicContact CB-CG1 4.2Å; L109-V159 HydrophobicContact CD1-CG1 3.93Å; L109-V159 HydrophobicContact CG-CG1 4.37Å; L150-V159 HydrophobicContact CD1-CB 4.11Å; L150-V159 HydrophobicContact CD1-CG2 3.72Å; E156-V159 WeakPolarHBondContact OE1-CA 3.46Å; E156-V159 WeakPolarHBondContact OE1-CG2 3.47Å; E156-V159 PolarHBondContact OE1-N 3.11Å; V159-Y213 HydrophobicContact CG2-CE2 3.75Å |
| 160 | G | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -88.5 | -173.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S154 E156 A162 G163 Y164 | S154-G160 CarbonylContact O-C 3.12Å; S154-G160 WeakPolarHBondContact O-CA 3.25Å; E156-G160 CarbonylContact O-C 3.39Å; E156-G160 VanDerWaalsContact O-C 3.27Å; E156-G160 WeakPolarHBondContact O-CA 3.37Å; E156-G160 PolarHBondContact O-N 3.47Å; E156-G160 VanDerWaalsContact O-N 3.15Å; E156-G160 PolarHBondContact OE1-N 2.88Å; G160-A162 VanDerWaalsContact C-N 3.34Å; G160-A162 PolarHBondContact O-N 3.43Å; G160-G163 WeakPolarHBondContact O-CA 3.45Å; G160-G163 PolarHBondContact O-N 3.35Å; G160-G163 VanDerWaalsContact O-N 3.12Å; G160-Y164 PolarHBondContact O-N 3.37Å; G160-Y164 VanDerWaalsContact O-N 3.16Å |
| 161 | R | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.6 | -36.2 | -179.1 | -67.6 | 178.7 | -158.6 | 80.9 | 11.1 | 113.4 | C144 P146 I147 F149 S154 D155 G163 Y164 L165 I188 I192 | C144-R161 HydrophobicContact CB-CG 4.3Å; C144-R161 WeakPolarHBondContact O-CD 3.01Å; C144-R161 PolarHBondContact O-NE 2.58Å; P146-R161 PolarHBondContact O-NH2 2.86Å; I147-R161 PolarHBondContact O-NH2 3.3Å; F149-R161 HydrophobicContact CE1-CG 3.94Å; S154-R161 PolarHBondContact O-N 3.28Å; S154-R161 PolarHBondContact O-NH1 3.46Å; S154-R161 VanDerWaalsContact O-NH1 3.12Å; D155-R161 IonicContact OD1-CZ 2.69Å; D155-R161 IonicContact OD1-NH1 3.95Å; D155-R161 PolarHBondContact OD1-NH1 2.94Å; D155-R161 IonicContact OD2-NH1 3.99Å; D155-R161 PolarHBondContact OD2-NH1 2.91Å; R161-G163 VanDerWaalsContact C-N 3.26Å; R161-G163 PolarHBondContact O-N 3.02Å; R161-Y164 PolarHBondContact O-N 2.96Å; R161-L165 WeakPolarHBondContact O-CB 3.37Å; R161-L165 WeakPolarHBondContact O-CG 3.37Å; R161-L165 PolarHBondContact O-N 3.3Å; R161-I188 HydrophobicContact CB-CG2 3.88Å; R161-I188 HydrophobicContact CG-CG2 4.05Å; R161-I192 HydrophobicContact CB-CD1 3.73Å; R161-I192 HydrophobicContact CB-CG1 3.6Å; R161-I192 HydrophobicContact CG-CG1 4.24Å |
| 162 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D155 G160 L165 C166 V228 M231 | D155-A162 WeakPolarHBondContact O-CB 3.39Å; D155-A162 PolarHBondContact O-N 3.16Å; D155-A162 VanDerWaalsContact O-N 3.08Å; G160-A162 VanDerWaalsContact C-N 3.34Å; G160-A162 PolarHBondContact O-N 3.43Å; A162-L165 PolarHBondContact O-N 3.23Å; A162-C166 VanDerWaalsContact O-CB 3.25Å; A162-C166 WeakPolarHBondContact O-CB 2.97Å; A162-C166 PolarHBondContact O-N 3.12Å; A162-V228 HydrophobicContact CB-CG2 4.24Å; A162-M231 HydrophobicContact CB-CB 4.27Å; A162-M231 HydrophobicContact CB-CG 4.01Å; A162-M231 WeakPolarHBondContact O-CG 3.36Å |
| 163 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.7 | -51.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F107 E156 L157 G160 R161 L165 C166 A167 | F107-G163 WeakPolarHBondContact CD1-O 3.32Å; F107-G163 WeakPolarHBondContact CG-O 3.47Å; E156-G163 PolarHBondContact O-N 3.44Å; L157-G163 WeakPolarHBondContact O-CA 3.2Å; G160-G163 WeakPolarHBondContact O-CA 3.45Å; G160-G163 PolarHBondContact O-N 3.35Å; G160-G163 VanDerWaalsContact O-N 3.12Å; R161-G163 VanDerWaalsContact C-N 3.26Å; R161-G163 PolarHBondContact O-N 3.02Å; G163-L165 PolarHBondContact O-N 2.63Å; G163-C166 WeakPolarHBondContact O-CB 3.48Å; G163-C166 PolarHBondContact O-N 3.41Å; G163-C166 VanDerWaalsContact O-N 3.16Å; G163-A167 PolarHBondContact O-N 3.08Å |
| 164 | Y | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 179.4 | -176.1 | -111.4 | 0 | 0 | 0 | 112.9 | A112 F137 R138 L140 W141 C144 G160 R161 C166 A167 A168 L180 I188 | A112-Y164 HydrophobicContact CB-CD2 4.21Å; F137-Y164 HydrophobicContact CD1-CE2 4.46Å; F137-Y164 HydrophobicContact CD2-CE2 4.18Å; F137-Y164 AromaticContact CE1-CE2 3.94Å; F137-Y164 HydrophobicContact CE1-CE2 3.94Å; F137-Y164 AromaticContact CE2-CD2 3.9Å; F137-Y164 HydrophobicContact CE2-CD2 3.9Å; F137-Y164 AromaticContact CE2-CE2 3.65Å; F137-Y164 HydrophobicContact CE2-CE2 3.65Å; F137-Y164 AromaticContact CZ-CD2 3.89Å; F137-Y164 HydrophobicContact CZ-CD2 3.89Å; F137-Y164 AromaticContact CZ-CE2 3.5Å; F137-Y164 HydrophobicContact CZ-CE2 3.5Å; F137-Y164 WeakPolarHBondContact O-CE2 3.41Å; F137-Y164 PolarHBondContact O-OH 2.91Å; R138-Y164 PolarHBondContact O-OH 2.87Å; L140-Y164 HydrophobicContact CB-CD2 4.47Å; L140-Y164 HydrophobicContact CB-CE2 3.78Å; W141-Y164 HydrophobicContact CB-CE1 3.95Å; W141-Y164 PolarHBondContact N-OH 3.23Å; W141-Y164 VanDerWaalsContact N-OH 3.16Å; C144-Y164 HydrophobicContact CB-CD1 4.17Å; G160-Y164 PolarHBondContact O-N 3.37Å; G160-Y164 VanDerWaalsContact O-N 3.16Å; R161-Y164 PolarHBondContact O-N 2.96Å; Y164-C166 VanDerWaalsContact C-N 3.33Å; Y164-C166 PolarHBondContact O-N 3.16Å; Y164-A167 WeakPolarHBondContact O-CB 3.49Å; Y164-A167 PolarHBondContact O-N 3.44Å; Y164-A168 PolarHBondContact O-N 2.83Å; Y164-L180 HydrophobicContact CD1-CD1 4.49Å; Y164-L180 HydrophobicContact CE1-CD1 3.66Å; Y164-L180 WeakPolarHBondContact OH-CD2 3.28Å; Y164-I188 HydrophobicContact CD1-CD1 3.77Å; Y164-I188 HydrophobicContact CE1-CD1 3.64Å |
| 165 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 175.1 | -74.6 | -176.3 | 0 | 0 | 0 | 112.5 | R161 A162 G163 A168 L169 I185 I188 I192 Y235 | R161-L165 WeakPolarHBondContact O-CB 3.37Å; R161-L165 WeakPolarHBondContact O-CG 3.37Å; R161-L165 PolarHBondContact O-N 3.3Å; A162-L165 PolarHBondContact O-N 3.23Å; G163-L165 PolarHBondContact O-N 2.63Å; L165-A168 PolarHBondContact O-N 3.16Å; L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 PolarHBondContact O-N 3.27Å; L165-I185 HydrophobicContact CD2-CG2 4.46Å; L165-I188 HydrophobicContact CD1-CG2 3.92Å; L165-I188 HydrophobicContact CD2-CB 4.25Å; L165-I188 HydrophobicContact CD2-CD1 4.23Å; L165-I188 HydrophobicContact CD2-CG2 3.96Å; L165-I188 HydrophobicContact CG-CG2 3.79Å; L165-I192 HydrophobicContact CD1-CD1 3.71Å; L165-Y235 HydrophobicContact CB-CD2 4.24Å; L165-Y235 HydrophobicContact CB-CE2 3.71Å; L165-Y235 HydrophobicContact CD1-CD2 4.15Å; L165-Y235 HydrophobicContact CD1-CE2 4.41Å; L165-Y235 HydrophobicContact CD2-CD2 4.43Å; L165-Y235 HydrophobicContact CD2-CE2 4.14Å; L165-Y235 HydrophobicContact CG-CE2 4.3Å; L165-Y235 PolarHBondContact O-OH 2.97Å |
| 166 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | 174.7 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | F107 L157 A162 G163 Y164 A168 L169 V170 M231 L402 | F107-C166 HydrophobicContact CD1-CB 4.42Å; F107-C166 HydrophobicContact CE1-CB 3.97Å; L157-C166 HydrophobicContact CD1-CB 3.85Å; A162-C166 VanDerWaalsContact O-CB 3.25Å; A162-C166 WeakPolarHBondContact O-CB 2.97Å; A162-C166 PolarHBondContact O-N 3.12Å; G163-C166 WeakPolarHBondContact O-CB 3.48Å; G163-C166 PolarHBondContact O-N 3.41Å; G163-C166 VanDerWaalsContact O-N 3.16Å; Y164-C166 VanDerWaalsContact C-N 3.33Å; Y164-C166 PolarHBondContact O-N 3.16Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-A168 PolarHBondContact O-N 3.12Å; C166-L169 WeakPolarHBondContact O-CB 3.46Å; C166-L169 PolarHBondContact O-N 3.03Å; C166-V170 WeakPolarHBondContact O-CG2 3.47Å; C166-V170 PolarHBondContact O-N 2.96Å; C166-M231 WeakPolarHBondContact CA-SD 3.35Å; C166-M231 HydrophobicContact CB-CE 4.39Å; C166-M231 HydrophobicContact CB-CG 4.34Å; C166-M231 HydrophobicContact CB-SD 3.53Å; C166-M231 VanDerWaalsContact CB-SD 3.53Å; C166-L402 PolarHBondContact SG-O 3.12Å |
| 167 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F107 F137 G163 Y164 L169 V170 L171 | F107-A167 HydrophobicContact CD2-CB 3.47Å; F107-A167 VanDerWaalsContact CD2-CB 3.47Å; F107-A167 HydrophobicContact CE2-CB 3.38Å; F107-A167 HydrophobicContact CG-CB 4.22Å; F107-A167 HydrophobicContact CZ-CB 4.07Å; F137-A167 HydrophobicContact CE2-CB 3.49Å; F137-A167 VanDerWaalsContact CE2-CB 3.49Å; F137-A167 HydrophobicContact CZ-CB 3.71Å; G163-A167 PolarHBondContact O-N 3.08Å; Y164-A167 WeakPolarHBondContact O-CB 3.49Å; Y164-A167 PolarHBondContact O-N 3.44Å; A167-L169 VanDerWaalsContact C-N 3.28Å; A167-L169 PolarHBondContact O-N 3.12Å; A167-V170 PolarHBondContact O-N 3.46Å; A167-L171 WeakPolarHBondContact O-CB 3.31Å; A167-L171 WeakPolarHBondContact O-CG 3.34Å; A167-L171 PolarHBondContact O-N 3.12Å |
| 168 | A | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F137 Y164 L165 C166 K172 I179 L180 | F137-A168 HydrophobicContact CE1-CB 4.01Å; F137-A168 HydrophobicContact CZ-CB 3.98Å; Y164-A168 PolarHBondContact O-N 2.83Å; L165-A168 PolarHBondContact O-N 3.16Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-A168 PolarHBondContact O-N 3.12Å; A168-K172 WeakPolarHBondContact O-CB 3.48Å; A168-K172 PolarHBondContact O-N 3.36Å; A168-I179 HydrophobicContact CB-CG2 4.36Å; A168-L180 HydrophobicContact CB-CD1 3.88Å; A168-L180 HydrophobicContact CB-CG 4.32Å |
| 169 | L | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -46.9 | 178 | -172.5 | 60.3 | 0 | 0 | 0 | 111.5 | L165 C166 A167 L171 K172 Q173 M231 Y235 V407 | L165-L169 WeakPolarHBondContact O-CB 3.41Å; L165-L169 PolarHBondContact O-N 3.27Å; C166-L169 WeakPolarHBondContact O-CB 3.46Å; C166-L169 PolarHBondContact O-N 3.03Å; A167-L169 VanDerWaalsContact C-N 3.28Å; A167-L169 PolarHBondContact O-N 3.12Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.03Å; L169-K172 WeakPolarHBondContact O-CB 3.27Å; L169-K172 PolarHBondContact O-N 2.92Å; L169-Q173 PolarHBondContact O-N 3.02Å; L169-M231 HydrophobicContact CD2-CE 4.49Å; L169-M231 HydrophobicContact CD2-SD 4.49Å; L169-Y235 HydrophobicContact CB-CE2 4.4Å; L169-Y235 WeakPolarHBondContact CB-OH 3.27Å; L169-Y235 PolarHBondContact N-OH 2.92Å; L169-V407 HydrophobicContact CD1-CB 4.33Å; L169-V407 HydrophobicContact CD1-CG2 3.68Å; L169-V407 HydrophobicContact CD2-CG2 3.5Å; L169-V407 VanDerWaalsContact CD2-CG2 3.5Å; L169-V407 HydrophobicContact CG-CG2 3.57Å |
| 170 | V | 97.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | M120 C166 A167 K172 Q173 K174 L402 | M120-V170 HydrophobicContact SD-CG1 4.19Å; C166-V170 WeakPolarHBondContact O-CG2 3.47Å; C166-V170 PolarHBondContact O-N 2.96Å; A167-V170 PolarHBondContact O-N 3.46Å; V170-K172 PolarHBondContact O-N 2.96Å; V170-Q173 PolarHBondContact O-N 2.8Å; V170-K174 HydrophobicContact CG1-CG 4.3Å; V170-K174 WeakPolarHBondContact O-CB 3.27Å; V170-K174 WeakPolarHBondContact O-CG 3.16Å; V170-K174 PolarHBondContact O-N 3.21Å; V170-L402 HydrophobicContact CG1-CD2 4.3Å |
| 171 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.2 | -81.8 | 171 | 0 | 0 | 0 | 112.2 | A116 A119 M120 L134 F137 A167 L169 Q173 K174 L175 I179 | A116-L171 HydrophobicContact CB-CD1 3.7Å; A116-L171 HydrophobicContact CB-CD2 4.04Å; A116-L171 HydrophobicContact CB-CG 3.82Å; A116-L171 WeakPolarHBondContact O-CD2 3.43Å; A119-L171 HydrophobicContact CB-CD2 4.24Å; M120-L171 HydrophobicContact CG-CD2 3.93Å; L134-L171 HydrophobicContact CD1-CD1 4.29Å; F137-L171 HydrophobicContact CD1-CD1 3.6Å; F137-L171 HydrophobicContact CD2-CD1 4.14Å; F137-L171 HydrophobicContact CE1-CD1 3.67Å; F137-L171 HydrophobicContact CE2-CD1 4.18Å; F137-L171 HydrophobicContact CG-CD1 3.86Å; F137-L171 HydrophobicContact CZ-CD1 3.97Å; A167-L171 WeakPolarHBondContact O-CB 3.31Å; A167-L171 WeakPolarHBondContact O-CG 3.34Å; A167-L171 PolarHBondContact O-N 3.12Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.03Å; L171-Q173 VanDerWaalsContact C-N 3.34Å; L171-Q173 PolarHBondContact O-N 3.38Å; L171-K174 PolarHBondContact O-N 2.68Å; L171-L175 HydrophobicContact CD2-CD1 3.78Å; L171-L175 HydrophobicContact CD2-CG 4.27Å; L171-L175 VanDerWaalsContact O-CB 3.23Å; L171-L175 WeakPolarHBondContact O-CB 3.33Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 2.65Å; L171-I179 HydrophobicContact CB-CD1 3.68Å; L171-I179 HydrophobicContact CB-CG1 3.65Å; L171-I179 HydrophobicContact CB-CG2 4.42Å; L171-I179 HydrophobicContact CD1-CG2 4.16Å |
| 172 | K | 97.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 176.7 | 177.6 | 173.9 | 179.8 | 157.1 | 0 | 111 | A168 L169 V170 G176 E178 I179 | A168-K172 WeakPolarHBondContact O-CB 3.48Å; A168-K172 PolarHBondContact O-N 3.36Å; L169-K172 WeakPolarHBondContact O-CB 3.27Å; L169-K172 PolarHBondContact O-N 2.92Å; V170-K172 PolarHBondContact O-N 2.96Å; K172-G176 WeakPolarHBondContact O-CA 3.29Å; K172-G176 PolarHBondContact O-N 3.33Å; K172-E178 VanDerWaalsContact CE-OE1 3.3Å; K172-E178 WeakPolarHBondContact CE-OE1 3.11Å; K172-E178 IonicContact NZ-OE1 2.77Å; K172-E178 PolarHBondContact NZ-OE1 3.32Å; K172-E178 IonicContact NZ-OE2 3.77Å; K172-E178 PolarHBondContact NZ-OE2 3.1Å; K172-I179 HydrophobicContact CB-CG1 3.99Å |
| 173 | Q | 95.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 178.1 | -175.2 | -169.3 | 12.2 | 0 | 0 | 111.9 | L169 V170 L171 E399 V407 | L169-Q173 PolarHBondContact O-N 3.02Å; V170-Q173 PolarHBondContact O-N 2.8Å; L171-Q173 VanDerWaalsContact C-N 3.34Å; L171-Q173 PolarHBondContact O-N 3.38Å; Q173-E399 PolarHBondContact NE2-OE2 2.89Å; Q173-V407 HydrophobicContact CB-CG1 4.03Å; Q173-V407 HydrophobicContact CG-CG1 3.64Å |
| 174 | K | 95.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -80.8 | -32.6 | -173.7 | -65.7 | -63.6 | -177.4 | -178.3 | 0 | 114 | M120 V170 L171 | M120-K174 HydrophobicContact CG-CB 4.25Å; M120-K174 HydrophobicContact SD-CB 3.84Å; M120-K174 HydrophobicContact SD-CG 3.79Å; V170-K174 HydrophobicContact CG1-CG 4.3Å; V170-K174 WeakPolarHBondContact O-CB 3.27Å; V170-K174 WeakPolarHBondContact O-CG 3.16Å; V170-K174 PolarHBondContact O-N 3.21Å; L171-K174 PolarHBondContact O-N 2.68Å |
| 175 | L | 96 | Very high | 97.3 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -95.1 | -16.3 | -178.5 | -57.6 | -176.4 | 0 | 0 | 0 | 113.2 | M120 K123 L134 L171 I177 I179 | M120-L175 HydrophobicContact CG-CD2 4.39Å; K123-L175 HydrophobicContact CB-CD2 3.79Å; K123-L175 HydrophobicContact CG-CD2 3.85Å; L134-L175 HydrophobicContact CD1-CD1 4.46Å; L134-L175 HydrophobicContact CD2-CD1 4.39Å; L171-L175 HydrophobicContact CD2-CD1 3.78Å; L171-L175 HydrophobicContact CD2-CG 4.27Å; L171-L175 VanDerWaalsContact O-CB 3.23Å; L171-L175 WeakPolarHBondContact O-CB 3.33Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 2.65Å; L175-I177 HydrophobicContact CB-CD1 4.24Å; L175-I177 HydrophobicContact CB-CG1 3.77Å; L175-I177 HydrophobicContact CD1-CD1 4.3Å; L175-I177 PolarHBondContact O-N 2.93Å; L175-I179 HydrophobicContact CD1-CD1 4.19Å |
| 176 | G | 95.6 | Very high | 97.3 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | trans | 65.4 | 25 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K172 | K172-G176 WeakPolarHBondContact O-CA 3.29Å; K172-G176 PolarHBondContact O-N 3.33Å | ||
| 177 | I | 95.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 33% | 0.333 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -131 | 154.4 | -179.4 | 62.5 | 174.4 | 0 | 0 | 0 | 110.7 | F130 L134 L175 I179 | F130-I177 HydrophobicContact CE2-CD1 4.36Å; L134-I177 HydrophobicContact CD2-CD1 3.84Å; L175-I177 HydrophobicContact CB-CD1 4.24Å; L175-I177 HydrophobicContact CB-CG1 3.77Å; L175-I177 HydrophobicContact CD1-CD1 4.3Å; L175-I177 PolarHBondContact O-N 2.93Å; I177-I179 HydrophobicContact CD1-CD1 4.38Å; I177-I179 HydrophobicContact CG1-CD1 3.89Å; I177-I179 PolarHBondContact O-N 3.49Å |
| 178 | E | 95.3 | Very high | 97.2 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | trans | -67.9 | 128.6 | 171 | -66.7 | -61.2 | 160.3 | 0 | 0 | 110.5 | R138 K172 | R138-E178 PolarHBondContact NH2-O 3.37Å; K172-E178 VanDerWaalsContact CE-OE1 3.3Å; K172-E178 WeakPolarHBondContact CE-OE1 3.11Å; K172-E178 IonicContact NZ-OE1 2.77Å; K172-E178 PolarHBondContact NZ-OE1 3.32Å; K172-E178 IonicContact NZ-OE2 3.77Å; K172-E178 PolarHBondContact NZ-OE2 3.1Å | ||
| 179 | I | 97.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | trans | -93 | -49.4 | -176.3 | -54.7 | -59.1 | 0 | 0 | 0 | 110.3 | L134 F137 R138 A168 L171 K172 L175 I177 | L134-I179 HydrophobicContact CD1-CD1 3.98Å; L134-I179 HydrophobicContact CD1-CG2 4.2Å; F137-I179 HydrophobicContact CD1-CG2 3.8Å; F137-I179 HydrophobicContact CE1-CG2 3.55Å; R138-I179 WeakPolarHBondContact CD-O 3.43Å; R138-I179 HydrophobicContact CG-CG2 4.41Å; R138-I179 VanDerWaalsContact CG-O 3.3Å; R138-I179 WeakPolarHBondContact CG-O 3.34Å; R138-I179 PolarHBondContact NE-O 2.93Å; A168-I179 HydrophobicContact CB-CG2 4.36Å; L171-I179 HydrophobicContact CB-CD1 3.68Å; L171-I179 HydrophobicContact CB-CG1 3.65Å; L171-I179 HydrophobicContact CB-CG2 4.42Å; L171-I179 HydrophobicContact CD1-CG2 4.16Å; K172-I179 HydrophobicContact CB-CG1 3.99Å; L175-I179 HydrophobicContact CD1-CD1 4.19Å; I177-I179 HydrophobicContact CD1-CD1 4.38Å; I177-I179 HydrophobicContact CG1-CD1 3.89Å; I177-I179 PolarHBondContact O-N 3.49Å | ||
| 180 | L | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -119.5 | 150.7 | 178.3 | -60.1 | 176.2 | 0 | 0 | 0 | 109.5 | R138 W141 Y164 A168 Q184 I185 I188 | R138-L180 HydrophobicContact CG-CD2 4.4Å; W141-L180 HydrophobicContact CB-CD2 4.49Å; Y164-L180 HydrophobicContact CD1-CD1 4.49Å; Y164-L180 HydrophobicContact CE1-CD1 3.66Å; Y164-L180 WeakPolarHBondContact OH-CD2 3.28Å; A168-L180 HydrophobicContact CB-CD1 3.88Å; A168-L180 HydrophobicContact CB-CG 4.32Å; L180-Q184 HydrophobicContact CB-CB 4.3Å; L180-I185 HydrophobicContact CB-CD1 4.19Å; L180-I185 HydrophobicContact CB-CG1 3.74Å; L180-I185 HydrophobicContact CD1-CG1 4.33Å; L180-I188 HydrophobicContact CD1-CD1 4.25Å |
| 181 | S | 97.6 | Very high | 97.3 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | trans | -67.8 | 157.1 | 171 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | D183 Q184 I185 | S181-D183 PolarHBondContact O-N 3.21Å; S181-Q184 PolarHBondContact O-N 2.97Å; S181-Q184 WeakPolarHBondContact OG-CB 3.2Å; S181-Q184 VanDerWaalsContact OG-CD 3.27Å; S181-Q184 WeakPolarHBondContact OG-CG 2.94Å; S181-Q184 PolarHBondContact OG-N 3.25Å; S181-Q184 PolarHBondContact OG-OE1 3.33Å; S181-I185 WeakPolarHBondContact O-CG1 3Å; S181-I185 PolarHBondContact O-N 3.26Å | ||
| 182 | K | 97.1 | Very high | 97.3 | Very high | 168 Ų | 168 | 55.7 Ų | 55.7 | 73% | 0.73 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -56.2 | -38 | 176.2 | -69.2 | -174.2 | 178.9 | -177.3 | 0 | 112.2 | K186 | K182-K186 WeakPolarHBondContact O-CB 2.99Å; K182-K186 PolarHBondContact O-N 2.87Å |
| 183 | D | 97.8 | Very high | 97.4 | Very high | 125 Ų | 125 | 52 Ų | 52 | 67% | 0.668 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 179.8 | -68.3 | -34 | 0 | 0 | 0 | 112.3 | S181 K186 S187 | S181-D183 PolarHBondContact O-N 3.21Å; D183-K186 PolarHBondContact O-N 3.11Å; D183-S187 WeakPolarHBondContact O-CB 3.44Å; D183-S187 PolarHBondContact O-N 2.9Å |
| 184 | Q | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 173.7 | -72.8 | 166.6 | -45.6 | 0 | 0 | 111.2 | W141 L180 S181 K186 S187 I188 | W141-Q184 VanDerWaalsContact CD1-NE2 3.27Å; W141-Q184 HydrophobicContact CD2-CB 4.32Å; W141-Q184 HydrophobicContact CD2-CG 3.67Å; W141-Q184 HydrophobicContact CE3-CB 4.22Å; W141-Q184 HydrophobicContact CE3-CG 3.84Å; W141-Q184 HydrophobicContact CG-CG 4.11Å; W141-Q184 HydrophobicContact CH2-CG 4.46Å; W141-Q184 HydrophobicContact CZ2-CG 4.33Å; W141-Q184 HydrophobicContact CZ3-CG 4.23Å; W141-Q184 VanDerWaalsContact NE1-NE2 3.13Å; L180-Q184 HydrophobicContact CB-CB 4.3Å; S181-Q184 PolarHBondContact O-N 2.97Å; S181-Q184 WeakPolarHBondContact OG-CB 3.2Å; S181-Q184 VanDerWaalsContact OG-CD 3.27Å; S181-Q184 WeakPolarHBondContact OG-CG 2.94Å; S181-Q184 PolarHBondContact OG-N 3.25Å; S181-Q184 PolarHBondContact OG-OE1 3.33Å; Q184-K186 VanDerWaalsContact C-N 3.34Å; Q184-K186 PolarHBondContact O-N 3.33Å; Q184-S187 WeakPolarHBondContact O-CB 3.35Å; Q184-S187 PolarHBondContact O-N 3.34Å; Q184-I188 WeakPolarHBondContact O-CD1 3.39Å; Q184-I188 WeakPolarHBondContact O-CG1 3.48Å; Q184-I188 PolarHBondContact O-N 3.5Å |
| 185 | I | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 177.1 | -63.8 | 168.2 | 0 | 0 | 0 | 109.9 | L165 L180 S181 S187 I188 C189 Y235 V238 | L165-I185 HydrophobicContact CD2-CG2 4.46Å; L180-I185 HydrophobicContact CB-CD1 4.19Å; L180-I185 HydrophobicContact CB-CG1 3.74Å; L180-I185 HydrophobicContact CD1-CG1 4.33Å; S181-I185 WeakPolarHBondContact O-CG1 3Å; S181-I185 PolarHBondContact O-N 3.26Å; I185-S187 VanDerWaalsContact C-N 3.3Å; I185-S187 PolarHBondContact O-N 3.06Å; I185-I188 PolarHBondContact O-N 3.29Å; I185-C189 PolarHBondContact O-N 3.18Å; I185-C189 PolarHBondContact O-SG 3.39Å; I185-C189 VanDerWaalsContact O-SG 3.38Å; I185-Y235 HydrophobicContact CD1-CD1 4.38Å; I185-Y235 HydrophobicContact CD1-CE1 4.02Å; I185-Y235 HydrophobicContact CG1-CE1 4.43Å; I185-Y235 HydrophobicContact CG2-CD1 3.4Å; I185-Y235 VanDerWaalsContact CG2-CD1 3.4Å; I185-Y235 HydrophobicContact CG2-CE1 3.88Å; I185-Y235 HydrophobicContact CG2-CG 3.92Å; I185-V238 HydrophobicContact CG2-CG1 4.3Å; I185-V238 HydrophobicContact CG2-CG2 3.91Å |
| 186 | K | 98.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 47 Ų | 47 | 30% | 0.3 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 178.5 | -171.3 | 179.2 | -166.2 | -176.5 | 0 | 112.3 | K182 D183 Q184 R190 V238 | K182-K186 WeakPolarHBondContact O-CB 2.99Å; K182-K186 PolarHBondContact O-N 2.87Å; D183-K186 PolarHBondContact O-N 3.11Å; Q184-K186 VanDerWaalsContact C-N 3.34Å; Q184-K186 PolarHBondContact O-N 3.33Å; K186-R190 VanDerWaalsContact CE-NH2 3.27Å; K186-R190 VanDerWaalsContact O-CB 3.32Å; K186-R190 WeakPolarHBondContact O-CB 3.12Å; K186-R190 VanDerWaalsContact O-CG 3.26Å; K186-R190 WeakPolarHBondContact O-CG 3.41Å; K186-R190 PolarHBondContact O-N 3.19Å; K186-V238 HydrophobicContact CB-CB 4.24Å; K186-V238 HydrophobicContact CB-CG2 4.48Å |
| 187 | S | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.3 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | D183 Q184 I185 R190 A191 | D183-S187 WeakPolarHBondContact O-CB 3.44Å; D183-S187 PolarHBondContact O-N 2.9Å; Q184-S187 WeakPolarHBondContact O-CB 3.35Å; Q184-S187 PolarHBondContact O-N 3.34Å; I185-S187 VanDerWaalsContact C-N 3.3Å; I185-S187 PolarHBondContact O-N 3.06Å; S187-R190 PolarHBondContact O-N 3.34Å; S187-A191 PolarHBondContact O-N 2.99Å |
| 188 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -46.9 | 179.6 | -62.7 | 158.1 | 0 | 0 | 0 | 110.6 | W141 R161 Y164 L165 L180 Q184 I185 R190 A191 I192 | W141-I188 HydrophobicContact CB-CD1 4.28Å; R161-I188 HydrophobicContact CB-CG2 3.88Å; R161-I188 HydrophobicContact CG-CG2 4.05Å; Y164-I188 HydrophobicContact CD1-CD1 3.77Å; Y164-I188 HydrophobicContact CE1-CD1 3.64Å; L165-I188 HydrophobicContact CD1-CG2 3.92Å; L165-I188 HydrophobicContact CD2-CB 4.25Å; L165-I188 HydrophobicContact CD2-CD1 4.23Å; L165-I188 HydrophobicContact CD2-CG2 3.96Å; L165-I188 HydrophobicContact CG-CG2 3.79Å; L180-I188 HydrophobicContact CD1-CD1 4.25Å; Q184-I188 WeakPolarHBondContact O-CD1 3.39Å; Q184-I188 WeakPolarHBondContact O-CG1 3.48Å; Q184-I188 PolarHBondContact O-N 3.5Å; I185-I188 PolarHBondContact O-N 3.29Å; I188-R190 VanDerWaalsContact C-N 3.31Å; I188-R190 PolarHBondContact O-N 3.21Å; I188-A191 WeakPolarHBondContact O-CB 2.97Å; I188-A191 PolarHBondContact O-N 3.11Å; I188-A191 VanDerWaalsContact O-N 3.11Å; I188-I192 HydrophobicContact CG2-CD1 4.4Å; I188-I192 WeakPolarHBondContact O-CG1 3.35Å; I188-I192 PolarHBondContact O-N 3.39Å |
| 189 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.8 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | I185 A191 I192 I193 L232 V238 L239 | I185-C189 PolarHBondContact O-N 3.18Å; I185-C189 PolarHBondContact O-SG 3.39Å; I185-C189 VanDerWaalsContact O-SG 3.38Å; C189-A191 VanDerWaalsContact C-N 3.34Å; C189-A191 PolarHBondContact O-N 2.7Å; C189-I192 PolarHBondContact O-N 2.98Å; C189-I193 WeakPolarHBondContact O-CG1 3.36Å; C189-I193 PolarHBondContact O-N 3.24Å; C189-L232 HydrophobicContact CB-CD2 4.26Å; C189-V238 HydrophobicContact CB-CG2 4.39Å; C189-L239 HydrophobicContact CB-CD2 3.74Å |
| 190 | R | 98 | Very high | 98.1 | Very high | 123 Ų | 123 | 43.9 Ų | 43.9 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 174.8 | -79.9 | 171.8 | 168.6 | 179.5 | -10 | 112.4 | K186 S187 I188 I192 I193 E194 E243 | K186-R190 VanDerWaalsContact CE-NH2 3.27Å; K186-R190 VanDerWaalsContact O-CB 3.32Å; K186-R190 WeakPolarHBondContact O-CB 3.12Å; K186-R190 VanDerWaalsContact O-CG 3.26Å; K186-R190 WeakPolarHBondContact O-CG 3.41Å; K186-R190 PolarHBondContact O-N 3.19Å; S187-R190 PolarHBondContact O-N 3.34Å; I188-R190 VanDerWaalsContact C-N 3.31Å; I188-R190 PolarHBondContact O-N 3.21Å; R190-I192 VanDerWaalsContact C-N 3.33Å; R190-I193 PolarHBondContact O-N 3.45Å; R190-E194 VanDerWaalsContact O-CB 3.3Å; R190-E194 WeakPolarHBondContact O-CB 3.27Å; R190-E194 PolarHBondContact O-N 2.86Å; R190-E243 WeakPolarHBondContact CG-OE1 3.25Å; R190-E243 IonicContact NE-OE1 2.89Å |
| 191 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A145 I147 S187 I188 C189 E194 S195 | A145-A191 WeakPolarHBondContact O-CB 3.49Å; I147-A191 HydrophobicContact CG1-CB 4.44Å; S187-A191 PolarHBondContact O-N 2.99Å; I188-A191 WeakPolarHBondContact O-CB 2.97Å; I188-A191 PolarHBondContact O-N 3.11Å; I188-A191 VanDerWaalsContact O-N 3.11Å; C189-A191 VanDerWaalsContact C-N 3.34Å; C189-A191 PolarHBondContact O-N 2.7Å; A191-E194 PolarHBondContact O-N 3.41Å; A191-S195 VanDerWaalsContact O-CB 3.32Å; A191-S195 WeakPolarHBondContact O-CB 3.48Å; A191-S195 PolarHBondContact O-N 3.34Å; A191-S195 PolarHBondContact O-OG 3.45Å |
| 192 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 173.9 | -60.2 | 169.8 | 0 | 0 | 0 | 111 | D155 R161 L165 I188 C189 R190 E194 S195 G196 Y211 V228 L232 | D155-I192 WeakPolarHBondContact OD1-CA 3.49Å; D155-I192 WeakPolarHBondContact OD1-CG1 3.4Å; R161-I192 HydrophobicContact CB-CD1 3.73Å; R161-I192 HydrophobicContact CB-CG1 3.6Å; R161-I192 HydrophobicContact CG-CG1 4.24Å; L165-I192 HydrophobicContact CD1-CD1 3.71Å; I188-I192 HydrophobicContact CG2-CD1 4.4Å; I188-I192 WeakPolarHBondContact O-CG1 3.35Å; I188-I192 PolarHBondContact O-N 3.39Å; C189-I192 PolarHBondContact O-N 2.98Å; R190-I192 VanDerWaalsContact C-N 3.33Å; I192-E194 VanDerWaalsContact C-N 3.33Å; I192-E194 PolarHBondContact O-N 3.18Å; I192-S195 PolarHBondContact O-N 3.18Å; I192-S195 PolarHBondContact O-OG 3.42Å; I192-G196 PolarHBondContact O-N 2.96Å; I192-Y211 HydrophobicContact CG2-CE1 3.93Å; I192-Y211 WeakPolarHBondContact CG2-OH 3.5Å; I192-Y211 WeakPolarHBondContact O-CE1 3.43Å; I192-Y211 PolarHBondContact O-OH 3.21Å; I192-V228 HydrophobicContact CG2-CG1 3.5Å; I192-L232 HydrophobicContact CB-CD2 4.23Å; I192-L232 HydrophobicContact CD1-CD2 4.32Å; I192-L232 HydrophobicContact CG2-CD1 3.81Å; I192-L232 HydrophobicContact CG2-CD2 4.11Å; I192-L232 HydrophobicContact CG2-CG 4.17Å |
| 193 | I | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | -179.7 | -66.6 | -66.5 | 0 | 0 | 0 | 110.9 | C189 R190 G196 K197 L209 L232 E243 L246 V247 | C189-I193 WeakPolarHBondContact O-CG1 3.36Å; C189-I193 PolarHBondContact O-N 3.24Å; R190-I193 PolarHBondContact O-N 3.45Å; I193-G196 PolarHBondContact O-N 3.12Å; I193-K197 HydrophobicContact CG2-CD 3.81Å; I193-K197 HydrophobicContact CG2-CG 4.46Å; I193-K197 WeakPolarHBondContact O-CB 3.38Å; I193-K197 VanDerWaalsContact O-CG 3.28Å; I193-K197 WeakPolarHBondContact O-CG 3.43Å; I193-K197 PolarHBondContact O-N 3.29Å; I193-L209 HydrophobicContact CD1-CD1 3.65Å; I193-L209 HydrophobicContact CD1-CD2 4.35Å; I193-L209 HydrophobicContact CG2-CD2 4.29Å; I193-L232 HydrophobicContact CD1-CD1 3.83Å; I193-L232 HydrophobicContact CD1-CD2 4.12Å; I193-L232 HydrophobicContact CG1-CD2 4.22Å; I193-E243 HydrophobicContact CG2-CG 4.29Å; I193-L246 HydrophobicContact CG2-CD1 4.22Å; I193-V247 HydrophobicContact CD1-CG2 3.61Å |
| 194 | E | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | -177.2 | -173 | 54.8 | -151.6 | 0 | 0 | 112.1 | I147 R190 A191 I192 G196 K197 Q198 | I147-E194 HydrophobicContact CD1-CB 4.2Å; I147-E194 HydrophobicContact CD1-CG 3.74Å; R190-E194 VanDerWaalsContact O-CB 3.3Å; R190-E194 WeakPolarHBondContact O-CB 3.27Å; R190-E194 PolarHBondContact O-N 2.86Å; A191-E194 PolarHBondContact O-N 3.41Å; I192-E194 VanDerWaalsContact C-N 3.33Å; I192-E194 PolarHBondContact O-N 3.18Å; E194-G196 VanDerWaalsContact C-N 3.32Å; E194-G196 PolarHBondContact O-N 3.35Å; E194-K197 PolarHBondContact O-N 2.92Å; E194-K197 IonicContact OE2-NZ 3.15Å; E194-K197 PolarHBondContact OE2-NZ 2.96Å; E194-Q198 HydrophobicContact CG-CG 4.5Å; E194-Q198 WeakPolarHBondContact O-CB 3.46Å; E194-Q198 VanDerWaalsContact O-CG 3.26Å; E194-Q198 WeakPolarHBondContact O-CG 3.42Å; E194-Q198 PolarHBondContact O-N 2.77Å; E194-Q198 WeakPolarHBondContact OE1-CG 3.23Å; E194-Q198 PolarHBondContact OE1-NE2 2.67Å |
| 195 | S | 98.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 172.6 | 70 | 0 | 0 | 0 | 0 | 110.9 | D155 A191 I192 Q198 Y199 | D155-S195 PolarHBondContact OD1-OG 3.08Å; D155-S195 WeakPolarHBondContact OD2-CB 3.32Å; D155-S195 PolarHBondContact OD2-OG 3.45Å; A191-S195 VanDerWaalsContact O-CB 3.32Å; A191-S195 WeakPolarHBondContact O-CB 3.48Å; A191-S195 PolarHBondContact O-N 3.34Å; A191-S195 PolarHBondContact O-OG 3.45Å; I192-S195 PolarHBondContact O-N 3.18Å; I192-S195 PolarHBondContact O-OG 3.42Å; S195-Q198 PolarHBondContact O-N 2.9Å; S195-Y199 WeakPolarHBondContact O-CB 3.42Å; S195-Y199 PolarHBondContact O-N 3.14Å |
| 196 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | I192 I193 E194 A200 M210 | I192-G196 PolarHBondContact O-N 2.96Å; I193-G196 PolarHBondContact O-N 3.12Å; E194-G196 VanDerWaalsContact C-N 3.32Å; E194-G196 PolarHBondContact O-N 3.35Å; G196-A200 VanDerWaalsContact O-CB 3.3Å; G196-A200 WeakPolarHBondContact O-CB 3.36Å; G196-A200 PolarHBondContact O-N 2.98Å; G196-M210 WeakPolarHBondContact CA-O 3.31Å; G196-M210 PolarHBondContact O-N 3.17Å |
| 197 | K | 98.3 | Very high | 97.2 | Very high | 84 Ų | 84 | 65.8 Ų | 65.8 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.2 | -74.8 | 166 | 63.4 | -150.6 | 0 | 112 | I193 E194 Y199 A200 R201 L209 L246 | I193-K197 HydrophobicContact CG2-CD 3.81Å; I193-K197 HydrophobicContact CG2-CG 4.46Å; I193-K197 WeakPolarHBondContact O-CB 3.38Å; I193-K197 VanDerWaalsContact O-CG 3.28Å; I193-K197 WeakPolarHBondContact O-CG 3.43Å; I193-K197 PolarHBondContact O-N 3.29Å; E194-K197 PolarHBondContact O-N 2.92Å; E194-K197 IonicContact OE2-NZ 3.15Å; E194-K197 PolarHBondContact OE2-NZ 2.96Å; K197-Y199 VanDerWaalsContact C-N 3.32Å; K197-Y199 PolarHBondContact O-N 3.31Å; K197-A200 PolarHBondContact O-N 3.1Å; K197-R201 WeakPolarHBondContact O-CB 3.49Å; K197-R201 PolarHBondContact O-N 3.21Å; K197-L209 HydrophobicContact CG-CD2 3.78Å; K197-L246 HydrophobicContact CD-CD1 3.95Å; K197-L246 HydrophobicContact CG-CD1 4.37Å |
| 198 | Q | 97.5 | Very high | 96.9 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 179.7 | -75 | -179.3 | 21 | 0 | 0 | 111 | E194 S195 R202 | E194-Q198 HydrophobicContact CG-CG 4.5Å; E194-Q198 WeakPolarHBondContact O-CB 3.46Å; E194-Q198 VanDerWaalsContact O-CG 3.26Å; E194-Q198 WeakPolarHBondContact O-CG 3.42Å; E194-Q198 PolarHBondContact O-N 2.77Å; E194-Q198 WeakPolarHBondContact OE1-CG 3.23Å; E194-Q198 PolarHBondContact OE1-NE2 2.67Å; S195-Q198 PolarHBondContact O-N 2.9Å; Q198-R202 WeakPolarHBondContact O-CB 3.35Å; Q198-R202 PolarHBondContact O-N 3.16Å |
| 199 | Y | 97.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 176.7 | -172.6 | -82.6 | 0 | 0 | 0 | 111.6 | S195 K197 R201 R202 K203 M210 S212 E217 | S195-Y199 WeakPolarHBondContact O-CB 3.42Å; S195-Y199 PolarHBondContact O-N 3.14Å; K197-Y199 VanDerWaalsContact C-N 3.32Å; K197-Y199 PolarHBondContact O-N 3.31Å; Y199-R201 VanDerWaalsContact C-N 3.33Å; Y199-R201 PolarHBondContact O-N 3.3Å; Y199-R202 PolarHBondContact O-N 2.9Å; Y199-K203 HydrophobicContact CD1-CG 4.16Å; Y199-K203 HydrophobicContact CE1-CB 4.22Å; Y199-K203 HydrophobicContact CE1-CG 3.64Å; Y199-K203 HydrophobicContact CE2-CG 4.24Å; Y199-K203 PolarHBondContact O-N 3.24Å; Y199-M210 WeakPolarHBondContact CB-O 3.42Å; Y199-M210 HydrophobicContact CD1-CB 4.07Å; Y199-M210 HydrophobicContact CD1-CG 4.01Å; Y199-M210 WeakPolarHBondContact CD1-O 3.28Å; Y199-M210 HydrophobicContact CE1-CG 3.97Å; Y199-S212 WeakPolarHBondContact CE2-OG 3.41Å; Y199-S212 WeakPolarHBondContact OH-CB 3.47Å; Y199-E217 HydrophobicContact CE1-CG 4.2Å; Y199-E217 WeakPolarHBondContact CE1-OE1 3.43Å; Y199-E217 PolarHBondContact OH-OE1 3.39Å |
| 200 | A | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G196 K197 K203 R204 K205 M210 | G196-A200 VanDerWaalsContact O-CB 3.3Å; G196-A200 WeakPolarHBondContact O-CB 3.36Å; G196-A200 PolarHBondContact O-N 2.98Å; K197-A200 PolarHBondContact O-N 3.1Å; A200-K203 CarbonylContact O-C 3.59Å; A200-K203 PolarHBondContact O-N 3.06Å; A200-R204 PolarHBondContact O-N 3.39Å; A200-K205 HydrophobicContact CB-CB 4.13Å; A200-K205 PolarHBondContact O-N 3.49Å; A200-M210 HydrophobicContact CB-CB 4.43Å |
| 201 | R | 97.8 | Very high | 96.9 | Very high | 215 Ų | 215 | 60 Ų | 60 | 81% | 0.811 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | 176 | -177.6 | 179.6 | 176 | -173.4 | -0.6 | 112 | K197 Y199 K203 R204 | K197-R201 WeakPolarHBondContact O-CB 3.49Å; K197-R201 PolarHBondContact O-N 3.21Å; Y199-R201 VanDerWaalsContact C-N 3.33Å; Y199-R201 PolarHBondContact O-N 3.3Å; R201-K203 VanDerWaalsContact C-N 3.3Å; R201-K203 PolarHBondContact O-N 3.4Å; R201-R204 PolarHBondContact O-N 2.97Å; R201-R204 VanDerWaalsContact O-N 3.09Å |
| 202 | R | 96.8 | Very high | 96.8 | Very high | 176 Ų | 176 | 60.9 Ų | 60.9 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.5 | -39.9 | -179.2 | -179.7 | 177.4 | 63 | -170.6 | 0.4 | 111.9 | Q198 Y199 R204 | Q198-R202 WeakPolarHBondContact O-CB 3.35Å; Q198-R202 PolarHBondContact O-N 3.16Å; Y199-R202 PolarHBondContact O-N 2.9Å; R202-R204 VanDerWaalsContact C-N 3.33Å |
| 203 | K | 97.2 | Very high | 96.8 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 7.5 | 178 | -63.7 | -65.8 | -168.7 | 169.8 | 0 | 113.6 | Y199 A200 R201 K205 | Y199-K203 HydrophobicContact CD1-CG 4.16Å; Y199-K203 HydrophobicContact CE1-CB 4.22Å; Y199-K203 HydrophobicContact CE1-CG 3.64Å; Y199-K203 HydrophobicContact CE2-CG 4.24Å; Y199-K203 PolarHBondContact O-N 3.24Å; A200-K203 CarbonylContact O-C 3.59Å; A200-K203 PolarHBondContact O-N 3.06Å; R201-K203 VanDerWaalsContact C-N 3.3Å; R201-K203 PolarHBondContact O-N 3.4Å; K203-K205 VanDerWaalsContact C-N 3.27Å; K203-K205 HydrophobicContact CB-CD 4.23Å; K203-K205 HydrophobicContact CB-CG 4.03Å; K203-K205 PolarHBondContact O-N 2.98Å |
| 204 | R | 96.3 | Very high | 96.6 | Very high | 233 Ų | 233 | 69.6 Ų | 69.6 | 88% | 0.879 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.4 | 179.2 | -57.1 | -179.1 | -176.1 | 175 | 0.6 | 113 | A200 R201 R202 | A200-R204 PolarHBondContact O-N 3.39Å; R201-R204 PolarHBondContact O-N 2.97Å; R201-R204 VanDerWaalsContact O-N 3.09Å; R202-R204 VanDerWaalsContact C-N 3.33Å |
| 205 | K | 95.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 69.3 Ų | 69.3 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | trans | -76.1 | 143.7 | 178.9 | -60.4 | -54.4 | -166.6 | 167.8 | 0 | 111 | A200 K203 F207 E217 | A200-K205 HydrophobicContact CB-CB 4.13Å; A200-K205 PolarHBondContact O-N 3.49Å; K203-K205 VanDerWaalsContact C-N 3.27Å; K203-K205 HydrophobicContact CB-CD 4.23Å; K203-K205 HydrophobicContact CB-CG 4.03Å; K203-K205 PolarHBondContact O-N 2.98Å; K205-F207 VanDerWaalsContact C-N 3.25Å; K205-F207 HydrophobicContact CB-CD2 3.79Å; K205-F207 HydrophobicContact CB-CE1 4.24Å; K205-F207 HydrophobicContact CB-CE2 3.35Å; K205-F207 HydrophobicContact CB-CG 4.38Å; K205-F207 HydrophobicContact CB-CZ 3.64Å; K205-F207 HydrophobicContact CD-CE1 4.47Å; K205-F207 HydrophobicContact CD-CE2 3.99Å; K205-F207 HydrophobicContact CD-CZ 3.62Å; K205-F207 HydrophobicContact CG-CD2 4.43Å; K205-F207 HydrophobicContact CG-CE2 3.55Å; K205-F207 HydrophobicContact CG-CZ 3.74Å; K205-F207 PolarHBondContact O-N 3.26Å; K205-E217 VanDerWaalsContact CE-CD 3.49Å; K205-E217 WeakPolarHBondContact CE-OE1 3.38Å; K205-E217 WeakPolarHBondContact CE-OE2 3.14Å; K205-E217 IonicContact NZ-OE1 3.88Å; K205-E217 PolarHBondContact NZ-OE1 3.2Å; K205-E217 IonicContact NZ-OE2 3.61Å; K205-E217 PolarHBondContact NZ-OE2 3.05Å | ||
| 206 | P | 90.9 | Very high | 96.5 | Very high | 126 Ų | 126 | 70.4 Ų | 70.4 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -79.1 | -6.8 | 178.8 | 31.7 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 207 | F | 91.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -109.6 | 153.2 | -179.4 | 36.7 | -96.4 | 0 | 0 | 0 | 111.3 | K205 M210 F253 L267 | K205-F207 VanDerWaalsContact C-N 3.25Å; K205-F207 HydrophobicContact CB-CD2 3.79Å; K205-F207 HydrophobicContact CB-CE1 4.24Å; K205-F207 HydrophobicContact CB-CE2 3.35Å; K205-F207 HydrophobicContact CB-CG 4.38Å; K205-F207 HydrophobicContact CB-CZ 3.64Å; K205-F207 HydrophobicContact CD-CE1 4.47Å; K205-F207 HydrophobicContact CD-CE2 3.99Å; K205-F207 HydrophobicContact CD-CZ 3.62Å; K205-F207 HydrophobicContact CG-CD2 4.43Å; K205-F207 HydrophobicContact CG-CE2 3.55Å; K205-F207 HydrophobicContact CG-CZ 3.74Å; K205-F207 PolarHBondContact O-N 3.26Å; F207-M210 HydrophobicContact CD2-CB 3.94Å; F207-M210 HydrophobicContact CD2-CE 3.83Å; F207-M210 HydrophobicContact CE2-CB 3.51Å; F207-M210 HydrophobicContact CE2-CE 3.18Å; F207-M210 HydrophobicContact CE2-CG 3.71Å; F207-M210 HydrophobicContact CE2-SD 4.28Å; F207-M210 HydrophobicContact CZ-CE 3.61Å; F207-F253 HydrophobicContact CB-CB 4.23Å; F207-F253 HydrophobicContact CB-CD1 4.17Å; F207-F253 HydrophobicContact CB-CD2 4.03Å; F207-F253 HydrophobicContact CB-CE2 4.5Å; F207-F253 HydrophobicContact CB-CG 3.84Å; F207-F253 HydrophobicContact CD1-CD1 4.12Å; F207-F253 AromaticContact CD1-CD2 3.48Å; F207-F253 HydrophobicContact CD1-CD2 3.48Å; F207-F253 VanDerWaalsContact CD1-CD2 3.48Å; F207-F253 AromaticContact CD1-CE1 3.82Å; F207-F253 HydrophobicContact CD1-CE1 3.82Å; F207-F253 AromaticContact CD1-CE2 3.12Å; F207-F253 HydrophobicContact CD1-CE2 3.12Å; F207-F253 AromaticContact CD1-CG 3.96Å; F207-F253 HydrophobicContact CD1-CG 3.96Å; F207-F253 AromaticContact CD1-CZ 3.3Å; F207-F253 HydrophobicContact CD1-CZ 3.3Å; F207-F253 HydrophobicContact CD2-CD1 4.38Å; F207-F253 HydrophobicContact CD2-CE1 4.17Å; F207-F253 HydrophobicContact CD2-CZ 4.39Å; F207-F253 HydrophobicContact CE1-CD2 4.2Å; F207-F253 AromaticContact CE1-CE1 3.93Å; F207-F253 HydrophobicContact CE1-CE1 3.93Å; F207-F253 AromaticContact CE1-CE2 3.37Å; F207-F253 HydrophobicContact CE1-CE2 3.37Å; F207-F253 AromaticContact CE1-CZ 3.2Å; F207-F253 HydrophobicContact CE1-CZ 3.2Å; F207-F253 HydrophobicContact CE2-CE1 4.28Å; F207-F253 HydrophobicContact CE2-CZ 4.31Å; F207-F253 AromaticContact CG-CD1 3.94Å; F207-F253 HydrophobicContact CG-CD1 3.94Å; F207-F253 AromaticContact CG-CD2 3.95Å; F207-F253 HydrophobicContact CG-CD2 3.95Å; F207-F253 AromaticContact CG-CE1 3.93Å; F207-F253 HydrophobicContact CG-CE1 3.93Å; F207-F253 AromaticContact CG-CE2 3.93Å; F207-F253 HydrophobicContact CG-CE2 3.93Å; F207-F253 AromaticContact CG-CG 3.95Å; F207-F253 HydrophobicContact CG-CG 3.95Å; F207-F253 AromaticContact CG-CZ 3.91Å; F207-F253 HydrophobicContact CG-CZ 3.91Å; F207-F253 HydrophobicContact CZ-CE1 4.15Å; F207-F253 HydrophobicContact CZ-CE2 4.34Å; F207-F253 AromaticContact CZ-CZ 3.74Å; F207-F253 HydrophobicContact CZ-CZ 3.74Å; F207-L267 HydrophobicContact CE1-CD2 4.12Å; F207-L267 HydrophobicContact CE2-CD2 4.46Å; F207-L267 HydrophobicContact CZ-CD2 3.52Å |
| 208 | P | 93.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -72.1 | -39.5 | -165 | 21.8 | -29.6 | 0 | 0 | 0 | 114.8 | L246 Q249 | P208-L246 HydrophobicContact CB-CB 4.26Å; P208-L246 HydrophobicContact CB-CD2 3.46Å; P208-L246 VanDerWaalsContact CB-CD2 3.46Å; P208-L246 HydrophobicContact CB-CG 4.43Å; P208-L246 HydrophobicContact CG-CD2 4.35Å; P208-L246 WeakPolarHBondContact CG-O 3.42Å; P208-Q249 HydrophobicContact CG-CB 3.63Å |
| 209 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -123.4 | 134 | -179.2 | -49.6 | 172.7 | 0 | 0 | 0 | 110.4 | I193 K197 Y211 L229 L232 L246 V247 S250 | I193-L209 HydrophobicContact CD1-CD1 3.65Å; I193-L209 HydrophobicContact CD1-CD2 4.35Å; I193-L209 HydrophobicContact CG2-CD2 4.29Å; K197-L209 HydrophobicContact CG-CD2 3.78Å; L209-Y211 HydrophobicContact CB-CE2 4.17Å; L209-L229 HydrophobicContact CD1-CD2 4.47Å; L209-L232 HydrophobicContact CD1-CD1 4.44Å; L209-L246 HydrophobicContact CD1-CB 4.28Å; L209-L246 HydrophobicContact CD2-CB 4.47Å; L209-L246 HydrophobicContact CG-CB 4.3Å; L209-V247 HydrophobicContact CD1-CG2 4.15Å; L209-S250 VanDerWaalsContact CB-OG 3.29Å; L209-S250 WeakPolarHBondContact CB-OG 3.14Å; L209-S250 PolarHBondContact N-OG 2.84Å; L209-S250 VanDerWaalsContact N-OG 3.16Å; L209-S250 PolarHBondContact O-OG 3.26Å | ||
| 210 | M | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | trans | -153.7 | 151.3 | 171.9 | -176.7 | 53.1 | 70.8 | 0 | 0 | 110.7 | G196 Y199 A200 F207 E217 L225 F253 L267 | G196-M210 WeakPolarHBondContact CA-O 3.31Å; G196-M210 PolarHBondContact O-N 3.17Å; Y199-M210 WeakPolarHBondContact CB-O 3.42Å; Y199-M210 HydrophobicContact CD1-CB 4.07Å; Y199-M210 HydrophobicContact CD1-CG 4.01Å; Y199-M210 WeakPolarHBondContact CD1-O 3.28Å; Y199-M210 HydrophobicContact CE1-CG 3.97Å; A200-M210 HydrophobicContact CB-CB 4.43Å; F207-M210 HydrophobicContact CD2-CB 3.94Å; F207-M210 HydrophobicContact CD2-CE 3.83Å; F207-M210 HydrophobicContact CE2-CB 3.51Å; F207-M210 HydrophobicContact CE2-CE 3.18Å; F207-M210 HydrophobicContact CE2-CG 3.71Å; F207-M210 HydrophobicContact CE2-SD 4.28Å; F207-M210 HydrophobicContact CZ-CE 3.61Å; M210-E217 HydrophobicContact CG-CG 4.37Å; M210-E217 HydrophobicContact SD-CB 4.28Å; M210-E217 HydrophobicContact SD-CG 4.49Å; M210-L225 HydrophobicContact CE-CD2 3.95Å; M210-F253 HydrophobicContact CE-CD1 4.46Å; M210-F253 HydrophobicContact CE-CE1 3.57Å; M210-F253 HydrophobicContact CE-CZ 4.22Å; M210-L267 HydrophobicContact CE-CD2 3.94Å | ||
| 211 | Y | 97.9 | Very high | 96.6 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 7% | 0.071 | 30% | 0.299 | C | S | . | . | trans | -133.5 | 159.1 | -174.7 | -50.7 | -86.6 | 0 | 0 | 0 | 109.2 | D155 I192 L209 L225 V228 | D155-Y211 HydrophobicContact CB-CD1 3.56Å; D155-Y211 HydrophobicContact CB-CE1 3.99Å; D155-Y211 HydrophobicContact CB-CG 4.2Å; D155-Y211 WeakPolarHBondContact OD2-CD1 3.3Å; I192-Y211 HydrophobicContact CG2-CE1 3.93Å; I192-Y211 WeakPolarHBondContact CG2-OH 3.5Å; I192-Y211 WeakPolarHBondContact O-CE1 3.43Å; I192-Y211 PolarHBondContact O-OH 3.21Å; L209-Y211 HydrophobicContact CB-CE2 4.17Å; Y211-L225 HydrophobicContact CD2-CD1 3.76Å; Y211-L225 HydrophobicContact CE2-CD1 3.78Å; Y211-V228 HydrophobicContact CD2-CB 4.31Å; Y211-V228 HydrophobicContact CD2-CG1 4.02Å; Y211-V228 HydrophobicContact CD2-CG2 4.36Å; Y211-V228 HydrophobicContact CE1-CG1 4.17Å; Y211-V228 HydrophobicContact CE2-CB 4.18Å; Y211-V228 HydrophobicContact CE2-CG1 3.54Å | ||
| 212 | S | 96.9 | Very high | 96.6 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | trans | -134.7 | 148.1 | 168.3 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | G153 Y199 T216 | G153-S212 WeakPolarHBondContact CA-O 3.41Å; Y199-S212 WeakPolarHBondContact CE2-OG 3.41Å; Y199-S212 WeakPolarHBondContact OH-CB 3.47Å; S212-T216 CarbonylContact C-O 3.54Å; S212-T216 WeakPolarHBondContact CA-O 3.34Å; S212-T216 WeakPolarHBondContact CB-O 3.42Å | ||
| 213 | Y | 97.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -123.2 | 125.7 | 169.6 | -175.7 | -119.5 | 0 | 0 | 0 | 109 | C152 E156 V159 G215 T216 Y218 H223 | C152-Y213 HydrophobicContact CB-CD2 4.45Å; C152-Y213 HydrophobicContact CB-CE2 4.22Å; C152-Y213 CarbonylContact O-C 3.34Å; C152-Y213 VanDerWaalsContact O-CA 3.24Å; C152-Y213 WeakPolarHBondContact O-CA 3.03Å; E156-Y213 HydrophobicContact CG-CD1 4.41Å; E156-Y213 HydrophobicContact CG-CD2 3.76Å; E156-Y213 HydrophobicContact CG-CE2 4.23Å; E156-Y213 HydrophobicContact CG-CG 3.85Å; V159-Y213 HydrophobicContact CG2-CE2 3.75Å; Y213-G215 PolarHBondContact O-N 3.06Å; Y213-G215 VanDerWaalsContact O-N 3.16Å; Y213-T216 PolarHBondContact N-O 3.09Å; Y213-T216 PolarHBondContact O-N 3.46Å; Y213-Y218 HydrophobicContact CD1-CE2 4.24Å; Y213-H223 HydrophobicContact CD1-CB 3.92Å; Y213-H223 AromaticContact CD1-CG 3.78Å; Y213-H223 AromaticContact CD1-ND1 3.74Å; Y213-H223 AromaticContact CE1-CE1 3.92Å; Y213-H223 AromaticContact CE1-ND1 3.64Å; Y213-H223 HydrophobicContact CG-CB 4.47Å |
| 214 | Y | 95.8 | Very high | 96.6 | Very high | 162 Ų | 162 | 42.8 Ų | 42.8 | 64% | 0.635 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 38 | -167.9 | -73.5 | -78.9 | 0 | 0 | 0 | 113.8 | C152 T216 | C152-Y214 HydrophobicContact CB-CD1 3.75Å; C152-Y214 HydrophobicContact CB-CD2 3.92Å; C152-Y214 HydrophobicContact CB-CE1 3.49Å; C152-Y214 VanDerWaalsContact CB-CE1 3.49Å; C152-Y214 HydrophobicContact CB-CE2 3.68Å; C152-Y214 HydrophobicContact CB-CG 3.96Å; C152-Y214 VanDerWaalsContact CB-CZ 3.45Å; C152-Y214 PolarHBondContact O-N 3.17Å; Y214-T216 PolarHBondContact O-N 2.91Å |
| 215 | G | 95.7 | Very high | 96.7 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 60% | 0.598 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | -7.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y213 | Y213-G215 PolarHBondContact O-N 3.06Å; Y213-G215 VanDerWaalsContact O-N 3.16Å |
| 216 | T | 97.8 | Very high | 96.8 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -95.1 | 133.8 | -179.5 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | S212 Y213 Y214 Y218 E266 | S212-T216 CarbonylContact C-O 3.54Å; S212-T216 WeakPolarHBondContact CA-O 3.34Å; S212-T216 WeakPolarHBondContact CB-O 3.42Å; Y213-T216 PolarHBondContact N-O 3.09Å; Y213-T216 PolarHBondContact O-N 3.46Å; Y214-T216 PolarHBondContact O-N 2.91Å; T216-Y218 VanDerWaalsContact CB-CE2 3.5Å; T216-Y218 HydrophobicContact CG2-CD1 3.79Å; T216-Y218 HydrophobicContact CG2-CD2 3.9Å; T216-Y218 HydrophobicContact CG2-CE1 3.52Å; T216-Y218 HydrophobicContact CG2-CE2 3.64Å; T216-Y218 HydrophobicContact CG2-CG 3.97Å; T216-Y218 VanDerWaalsContact CG2-CZ 3.43Å; T216-Y218 PolarHBondContact O-N 3.03Å; T216-E266 HydrophobicContact CG2-CB 4.1Å; T216-E266 HydrophobicContact CG2-CG 3.43Å; T216-E266 VanDerWaalsContact CG2-CG 3.43Å; T216-E266 WeakPolarHBondContact CG2-OE2 3.49Å |
| 217 | E | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 12% | 0.121 | 12% | 0.122 | C | C | . | . | trans | -88.9 | 74.6 | 178.4 | -65.6 | 171.3 | 166.6 | 0 | 0 | 110.2 | Y199 K205 M210 E266 L267 | Y199-E217 HydrophobicContact CE1-CG 4.2Å; Y199-E217 WeakPolarHBondContact CE1-OE1 3.43Å; Y199-E217 PolarHBondContact OH-OE1 3.39Å; K205-E217 VanDerWaalsContact CE-CD 3.49Å; K205-E217 WeakPolarHBondContact CE-OE1 3.38Å; K205-E217 WeakPolarHBondContact CE-OE2 3.14Å; K205-E217 IonicContact NZ-OE1 3.88Å; K205-E217 PolarHBondContact NZ-OE1 3.2Å; K205-E217 IonicContact NZ-OE2 3.61Å; K205-E217 PolarHBondContact NZ-OE2 3.05Å; M210-E217 HydrophobicContact CG-CG 4.37Å; M210-E217 HydrophobicContact SD-CB 4.28Å; M210-E217 HydrophobicContact SD-CG 4.49Å; E217-E266 CarbonylContact O-C 3.54Å; E217-E266 WeakPolarHBondContact O-CA 3.48Å; E217-L267 HydrophobicContact CB-CB 3.92Å; E217-L267 PolarHBondContact O-N 3.44Å; E217-L267 WeakPolarHBondContact OE2-CD2 3.33Å | ||
| 218 | Y | 98.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 22.2 Ų | 22.2 | 18% | 0.18 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 147.3 | -179 | -66.3 | -73.1 | 0 | 0 | 0 | 112.5 | Y213 T216 H223 G224 L225 A265 E266 H282 | Y213-Y218 HydrophobicContact CD1-CE2 4.24Å; T216-Y218 VanDerWaalsContact CB-CE2 3.5Å; T216-Y218 HydrophobicContact CG2-CD1 3.79Å; T216-Y218 HydrophobicContact CG2-CD2 3.9Å; T216-Y218 HydrophobicContact CG2-CE1 3.52Å; T216-Y218 HydrophobicContact CG2-CE2 3.64Å; T216-Y218 HydrophobicContact CG2-CG 3.97Å; T216-Y218 VanDerWaalsContact CG2-CZ 3.43Å; T216-Y218 PolarHBondContact O-N 3.03Å; Y218-H223 HydrophobicContact CD2-CB 3.51Å; Y218-H223 HydrophobicContact CE2-CB 4.02Å; Y218-H223 HydrophobicContact CG-CB 3.89Å; Y218-G224 VanDerWaalsContact C-CA 3.44Å; Y218-G224 CarbonylContact O-C 3.21Å; Y218-G224 WeakPolarHBondContact O-CA 3.4Å; Y218-L225 PolarHBondContact O-N 3.5Å; Y218-A265 WeakPolarHBondContact CA-O 3.46Å; Y218-E266 HydrophobicContact CD1-CG 4.01Å; Y218-E266 HydrophobicContact CE1-CG 4.05Å; Y218-H282 AromaticContact CD1-CE1 3.6Å; Y218-H282 AromaticContact CD1-ND1 3.98Å; Y218-H282 AromaticContact CE1-CE1 3.84Å |
| 219 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -103.9 | -29.6 | 177.1 | -58.7 | -173.1 | 0 | 0 | 0 | 113.8 | S226 L254 Q257 P264 A265 L267 | L219-S226 WeakPolarHBondContact O-CB 3.26Å; L219-S226 PolarHBondContact O-N 3.44Å; L219-S226 VanDerWaalsContact O-N 3.11Å; L219-L254 HydrophobicContact CB-CD1 4.06Å; L219-L254 HydrophobicContact CD1-CD1 4.37Å; L219-L254 HydrophobicContact CD2-CD1 4.14Å; L219-L254 HydrophobicContact CG-CD1 4.43Å; L219-Q257 HydrophobicContact CD1-CB 3.96Å; L219-Q257 HydrophobicContact CD1-CG 4.36Å; L219-P264 HydrophobicContact CD1-CG 3.8Å; L219-A265 PolarHBondContact N-O 3.34Å; L219-L267 HydrophobicContact CD2-CB 4.15Å; L219-L267 HydrophobicContact CD2-CD1 4.25Å | ||
| 220 | G | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -71 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G224 C281 | G220-G224 CarbonylContact O-C 3.53Å; G220-G224 WeakPolarHBondContact O-CA 3.42Å; G220-G224 PolarHBondContact O-N 3.05Å; G220-C281 CarbonylContact C-O 3.16Å; G220-C281 WeakPolarHBondContact CA-O 3.48Å |
| 221 | A | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L157 S227 W280 C281 F403 | L157-A221 WeakPolarHBondContact CD2-O 3.42Å; A221-S227 WeakPolarHBondContact O-CB 3.4Å; A221-S227 PolarHBondContact O-OG 3.48Å; A221-W280 HydrophobicContact CB-CZ2 4.34Å; A221-W280 WeakPolarHBondContact CB-O 3.35Å; A221-C281 PolarHBondContact N-O 3.15Å; A221-F403 HydrophobicContact CB-CE1 4.25Å; A221-F403 HydrophobicContact CB-CZ 4.22Å |
| 222 | A | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -69.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L157 F158 W280 C281 | L157-A222 WeakPolarHBondContact CB-O 3.41Å; L157-A222 PolarHBondContact N-O 3.33Å; F158-A222 HydrophobicContact CD1-CB 4.14Å; F158-A222 HydrophobicContact CE1-CB 3.37Å; F158-A222 HydrophobicContact CZ-CB 3.64Å; A222-W280 HydrophobicContact CB-CZ3 4.33Å; A222-C281 HydrophobicContact CB-CB 3.51Å; A222-C281 PolarHBondContact N-O 2.97Å |
| 223 | H | 97.4 | Very high | 98 | Very high | 39 Ų | 39 | 18.8 Ų | 18.8 | 18% | 0.181 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 6.4 | -170.8 | -58.4 | -54.1 | 0 | 0 | 0 | 113.9 | E156 F158 Y213 Y218 | E156-H223 WeakPolarHBondContact CB-O 3.24Å; E156-H223 HydrophobicContact CG-CB 4.49Å; E156-H223 IonicContact OE2-CE1 3.33Å; E156-H223 IonicContact OE2-CG 3.23Å; E156-H223 IonicContact OE2-ND1 3.73Å; E156-H223 PolarHBondContact OE2-ND1 3.17Å; F158-H223 AromaticContact CD2-CE1 3.38Å; F158-H223 WeakPolarHBondContact CD2-CE1 3.32Å; F158-H223 AromaticContact CE2-CE1 3.79Å; F158-H223 AromaticContact CG-CE1 3.53Å; Y213-H223 HydrophobicContact CD1-CB 3.92Å; Y213-H223 AromaticContact CD1-CG 3.78Å; Y213-H223 AromaticContact CD1-ND1 3.74Å; Y213-H223 AromaticContact CE1-CE1 3.92Å; Y213-H223 AromaticContact CE1-ND1 3.64Å; Y213-H223 HydrophobicContact CG-CB 4.47Å; Y218-H223 HydrophobicContact CD2-CB 3.51Å; Y218-H223 HydrophobicContact CE2-CB 4.02Å; Y218-H223 HydrophobicContact CG-CB 3.89Å |
| 224 | G | 96.3 | Very high | 98 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -118.9 | 179.3 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y218 G220 S226 S227 | Y218-G224 VanDerWaalsContact C-CA 3.44Å; Y218-G224 CarbonylContact O-C 3.21Å; Y218-G224 WeakPolarHBondContact O-CA 3.4Å; G220-G224 CarbonylContact O-C 3.53Å; G220-G224 WeakPolarHBondContact O-CA 3.42Å; G220-G224 PolarHBondContact O-N 3.05Å; G224-S226 PolarHBondContact O-N 2.99Å; G224-S226 VanDerWaalsContact O-N 3.13Å; G224-S227 PolarHBondContact O-N 2.78Å; G224-S227 PolarHBondContact O-OG 3.41Å |
| 225 | L | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -53.8 | -33.9 | -177.4 | -176.5 | 61.4 | 0 | 0 | 0 | 112.9 | M210 Y211 Y218 S227 V228 L229 F253 L254 | M210-L225 HydrophobicContact CE-CD2 3.95Å; Y211-L225 HydrophobicContact CD2-CD1 3.76Å; Y211-L225 HydrophobicContact CE2-CD1 3.78Å; Y218-L225 PolarHBondContact O-N 3.5Å; L225-S227 PolarHBondContact O-N 2.97Å; L225-V228 PolarHBondContact O-N 2.92Å; L225-L229 HydrophobicContact CD1-CD1 3.83Å; L225-L229 HydrophobicContact CD1-CD2 4.17Å; L225-L229 HydrophobicContact CD1-CG 3.78Å; L225-L229 HydrophobicContact CD2-CD1 4.17Å; L225-L229 HydrophobicContact CG-CD1 3.63Å; L225-L229 HydrophobicContact CG-CG 4.02Å; L225-L229 WeakPolarHBondContact O-CB 3.42Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.21Å; L225-F253 HydrophobicContact CD2-CD1 4.03Å; L225-F253 HydrophobicContact CD2-CE1 4.11Å; L225-L254 HydrophobicContact CD2-CB 4.18Å; L225-L254 HydrophobicContact CD2-CD1 4.49Å; L225-L254 HydrophobicContact CG-CD2 4.43Å |
| 226 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.6 | -52.5 | -176.2 | -177.9 | 0 | 0 | 0 | 0 | 113.5 | L219 G224 Q230 L290 | L219-S226 WeakPolarHBondContact O-CB 3.26Å; L219-S226 PolarHBondContact O-N 3.44Å; L219-S226 VanDerWaalsContact O-N 3.11Å; G224-S226 PolarHBondContact O-N 2.99Å; G224-S226 VanDerWaalsContact O-N 3.13Å; S226-Q230 WeakPolarHBondContact O-CB 3.12Å; S226-Q230 PolarHBondContact O-N 3.13Å; S226-L290 WeakPolarHBondContact OG-CB 3.3Å |
| 227 | S | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.6 | -34 | -176.6 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | A221 G224 L225 Q230 M231 | A221-S227 WeakPolarHBondContact O-CB 3.4Å; A221-S227 PolarHBondContact O-OG 3.48Å; G224-S227 PolarHBondContact O-N 2.78Å; G224-S227 PolarHBondContact O-OG 3.41Å; L225-S227 PolarHBondContact O-N 2.97Å; S227-Q230 PolarHBondContact O-N 3.26Å; S227-M231 WeakPolarHBondContact O-CG 3.15Å; S227-M231 PolarHBondContact O-N 3.41Å |
| 228 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | D155 A162 I192 Y211 L225 Q230 M231 L232 | D155-V228 HydrophobicContact CB-CG2 4.35Å; D155-V228 WeakPolarHBondContact O-CG2 3.37Å; A162-V228 HydrophobicContact CB-CG2 4.24Å; I192-V228 HydrophobicContact CG2-CG1 3.5Å; Y211-V228 HydrophobicContact CD2-CB 4.31Å; Y211-V228 HydrophobicContact CD2-CG1 4.02Å; Y211-V228 HydrophobicContact CD2-CG2 4.36Å; Y211-V228 HydrophobicContact CE1-CG1 4.17Å; Y211-V228 HydrophobicContact CE2-CB 4.18Å; Y211-V228 HydrophobicContact CE2-CG1 3.54Å; L225-V228 PolarHBondContact O-N 2.92Å; V228-Q230 VanDerWaalsContact C-N 3.35Å; V228-Q230 PolarHBondContact O-N 3.36Å; V228-M231 PolarHBondContact O-N 3.29Å; V228-L232 HydrophobicContact CG1-CD1 4.29Å; V228-L232 WeakPolarHBondContact O-CG 3.21Å; V228-L232 PolarHBondContact O-N 3.3Å |
| 229 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 177.1 | -65.6 | 177.6 | 0 | 0 | 0 | 111.8 | L209 L225 M231 L232 L233 V247 V251 L254 L290 | L209-L229 HydrophobicContact CD1-CD2 4.47Å; L225-L229 HydrophobicContact CD1-CD1 3.83Å; L225-L229 HydrophobicContact CD1-CD2 4.17Å; L225-L229 HydrophobicContact CD1-CG 3.78Å; L225-L229 HydrophobicContact CD2-CD1 4.17Å; L225-L229 HydrophobicContact CG-CD1 3.63Å; L225-L229 HydrophobicContact CG-CG 4.02Å; L225-L229 WeakPolarHBondContact O-CB 3.42Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.21Å; L229-M231 VanDerWaalsContact C-N 3.3Å; L229-M231 PolarHBondContact O-N 3.1Å; L229-L232 PolarHBondContact O-N 2.87Å; L229-L233 WeakPolarHBondContact O-CG 3.03Å; L229-L233 PolarHBondContact O-N 3.49Å; L229-V247 HydrophobicContact CD2-CG1 4.2Å; L229-V251 HydrophobicContact CB-CG2 4.19Å; L229-V251 HydrophobicContact CD1-CG2 3.99Å; L229-L254 HydrophobicContact CD1-CD2 4.41Å; L229-L290 HydrophobicContact CB-CD1 3.78Å; L229-L290 HydrophobicContact CB-CD2 4.04Å; L229-L290 HydrophobicContact CD1-CD2 4.13Å |
| 230 | Q | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 178.7 | -177.6 | -177 | -38.3 | 0 | 0 | 110.6 | S226 S227 V228 L233 S234 L290 K293 F403 S404 | S226-Q230 WeakPolarHBondContact O-CB 3.12Å; S226-Q230 PolarHBondContact O-N 3.13Å; S227-Q230 PolarHBondContact O-N 3.26Å; V228-Q230 VanDerWaalsContact C-N 3.35Å; V228-Q230 PolarHBondContact O-N 3.36Å; Q230-L233 PolarHBondContact O-N 2.99Å; Q230-S234 PolarHBondContact O-N 3.12Å; Q230-S234 PolarHBondContact O-OG 2.98Å; Q230-S234 VanDerWaalsContact O-OG 3.12Å; Q230-L290 HydrophobicContact CB-CB 4.41Å; Q230-L290 HydrophobicContact CB-CD1 4Å; Q230-K293 HydrophobicContact CG-CB 4.08Å; Q230-K293 HydrophobicContact CG-CG 4.28Å; Q230-F403 VanDerWaalsContact CD-CZ 3.46Å; Q230-S404 PolarHBondContact NE2-O 2.98Å |
| 231 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.6 | -68.4 | -58.9 | 104.9 | 0 | 0 | 112.1 | A162 C166 L169 S227 V228 L229 L233 S234 Y235 F403 | A162-M231 HydrophobicContact CB-CB 4.27Å; A162-M231 HydrophobicContact CB-CG 4.01Å; A162-M231 WeakPolarHBondContact O-CG 3.36Å; C166-M231 WeakPolarHBondContact CA-SD 3.35Å; C166-M231 HydrophobicContact CB-CE 4.39Å; C166-M231 HydrophobicContact CB-CG 4.34Å; C166-M231 HydrophobicContact CB-SD 3.53Å; C166-M231 VanDerWaalsContact CB-SD 3.53Å; L169-M231 HydrophobicContact CD2-CE 4.49Å; L169-M231 HydrophobicContact CD2-SD 4.49Å; S227-M231 WeakPolarHBondContact O-CG 3.15Å; S227-M231 PolarHBondContact O-N 3.41Å; V228-M231 PolarHBondContact O-N 3.29Å; L229-M231 VanDerWaalsContact C-N 3.3Å; L229-M231 PolarHBondContact O-N 3.1Å; M231-L233 VanDerWaalsContact C-N 3.29Å; M231-L233 PolarHBondContact O-N 3.46Å; M231-S234 PolarHBondContact O-N 3.41Å; M231-Y235 VanDerWaalsContact O-CD2 3.3Å; M231-Y235 WeakPolarHBondContact O-CD2 3.37Å; M231-Y235 PolarHBondContact O-N 3.1Å; M231-Y235 VanDerWaalsContact O-N 3.09Å; M231-F403 HydrophobicContact CE-CE2 4.42Å |
| 232 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 173.9 | -70.9 | 169.3 | 0 | 0 | 0 | 112.4 | C189 I192 I193 L209 V228 L229 Y235 Q236 V247 | C189-L232 HydrophobicContact CB-CD2 4.26Å; I192-L232 HydrophobicContact CB-CD2 4.23Å; I192-L232 HydrophobicContact CD1-CD2 4.32Å; I192-L232 HydrophobicContact CG2-CD1 3.81Å; I192-L232 HydrophobicContact CG2-CD2 4.11Å; I192-L232 HydrophobicContact CG2-CG 4.17Å; I193-L232 HydrophobicContact CD1-CD1 3.83Å; I193-L232 HydrophobicContact CD1-CD2 4.12Å; I193-L232 HydrophobicContact CG1-CD2 4.22Å; L209-L232 HydrophobicContact CD1-CD1 4.44Å; V228-L232 HydrophobicContact CG1-CD1 4.29Å; V228-L232 WeakPolarHBondContact O-CG 3.21Å; V228-L232 PolarHBondContact O-N 3.3Å; L229-L232 PolarHBondContact O-N 2.87Å; L232-Y235 CarbonylContact O-C 3.56Å; L232-Y235 PolarHBondContact O-N 3.28Å; L232-Q236 PolarHBondContact O-N 3.46Å; L232-Q236 VanDerWaalsContact O-N 3.1Å; L232-V247 HydrophobicContact CB-CG1 4.03Å; L232-V247 HydrophobicContact CB-CG2 3.94Å; L232-V247 HydrophobicContact CD1-CG2 3.92Å; L232-V247 HydrophobicContact CG-CG2 4.44Å |
| 233 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 173.3 | -70.8 | -173.7 | 0 | 0 | 0 | 112.7 | L229 Q230 M231 Y235 Q236 V247 W248 V251 L290 K293 A294 I297 | L229-L233 WeakPolarHBondContact O-CG 3.03Å; L229-L233 PolarHBondContact O-N 3.49Å; Q230-L233 PolarHBondContact O-N 2.99Å; M231-L233 VanDerWaalsContact C-N 3.29Å; M231-L233 PolarHBondContact O-N 3.46Å; L233-Y235 PolarHBondContact O-N 3.26Å; L233-Q236 WeakPolarHBondContact O-CB 3.42Å; L233-Q236 WeakPolarHBondContact O-CG 3.36Å; L233-Q236 PolarHBondContact O-N 2.91Å; L233-Q236 PolarHBondContact O-NE2 3.35Å; L233-V247 HydrophobicContact CD2-CG1 3.68Å; L233-V247 HydrophobicContact CG-CG1 4.13Å; L233-W248 HydrophobicContact CD1-CH2 3.81Å; L233-W248 HydrophobicContact CD1-CZ2 4.42Å; L233-W248 HydrophobicContact CD1-CZ3 4.1Å; L233-W248 HydrophobicContact CD2-CD2 4.15Å; L233-W248 HydrophobicContact CD2-CE3 4.37Å; L233-W248 HydrophobicContact CD2-CH2 3.58Å; L233-W248 HydrophobicContact CD2-CZ2 3.35Å; L233-W248 HydrophobicContact CD2-CZ3 4.11Å; L233-W248 HydrophobicContact CG-CH2 4.36Å; L233-V251 HydrophobicContact CD1-CG2 4.14Å; L233-L290 HydrophobicContact CD1-CD1 3.77Å; L233-K293 HydrophobicContact CB-CG 4.04Å; L233-K293 HydrophobicContact CD1-CG 4.49Å; L233-A294 HydrophobicContact CD1-CB 4.04Å; L233-I297 HydrophobicContact CB-CD1 3.81Å; L233-I297 HydrophobicContact CD1-CD1 4.37Å; L233-I297 HydrophobicContact CD2-CD1 4.45Å; L233-I297 HydrophobicContact CG-CD1 4.45Å |
| 234 | S | 98.3 | Very high | 98 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 17% | 0.168 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -29.3 | 175.5 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | Q230 M231 K293 | Q230-S234 PolarHBondContact O-N 3.12Å; Q230-S234 PolarHBondContact O-OG 2.98Å; Q230-S234 VanDerWaalsContact O-OG 3.12Å; M231-S234 PolarHBondContact O-N 3.41Å; S234-K293 VanDerWaalsContact OG-CE 3.27Å; S234-K293 WeakPolarHBondContact OG-CE 3.46Å |
| 235 | Y | 97.9 | Very high | 98.1 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 9% | 0.094 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 22.5 | 178.7 | -68.1 | -78.2 | 0 | 0 | 0 | 113.1 | L165 L169 I185 M231 L232 L233 D237 V238 | L165-Y235 HydrophobicContact CB-CD2 4.24Å; L165-Y235 HydrophobicContact CB-CE2 3.71Å; L165-Y235 HydrophobicContact CD1-CD2 4.15Å; L165-Y235 HydrophobicContact CD1-CE2 4.41Å; L165-Y235 HydrophobicContact CD2-CD2 4.43Å; L165-Y235 HydrophobicContact CD2-CE2 4.14Å; L165-Y235 HydrophobicContact CG-CE2 4.3Å; L165-Y235 PolarHBondContact O-OH 2.97Å; L169-Y235 HydrophobicContact CB-CE2 4.4Å; L169-Y235 WeakPolarHBondContact CB-OH 3.27Å; L169-Y235 PolarHBondContact N-OH 2.92Å; I185-Y235 HydrophobicContact CD1-CD1 4.38Å; I185-Y235 HydrophobicContact CD1-CE1 4.02Å; I185-Y235 HydrophobicContact CG1-CE1 4.43Å; I185-Y235 HydrophobicContact CG2-CD1 3.4Å; I185-Y235 VanDerWaalsContact CG2-CD1 3.4Å; I185-Y235 HydrophobicContact CG2-CE1 3.88Å; I185-Y235 HydrophobicContact CG2-CG 3.92Å; M231-Y235 VanDerWaalsContact O-CD2 3.3Å; M231-Y235 WeakPolarHBondContact O-CD2 3.37Å; M231-Y235 PolarHBondContact O-N 3.1Å; M231-Y235 VanDerWaalsContact O-N 3.09Å; L232-Y235 CarbonylContact O-C 3.56Å; L232-Y235 PolarHBondContact O-N 3.28Å; L233-Y235 PolarHBondContact O-N 3.26Å; Y235-D237 PolarHBondContact O-N 2.93Å; Y235-V238 WeakPolarHBondContact O-CG2 3.37Å; Y235-V238 PolarHBondContact O-N 2.65Å; Y235-V238 VanDerWaalsContact O-N 3.13Å |
| 236 | Q | 97 | Very high | 98.1 | Very high | 37 Ų | 37 | 32 Ų | 32 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -56.1 | -28.8 | -174.4 | 70.5 | -173.5 | -66.8 | 0 | 0 | 113.4 | L232 L233 V238 L239 K244 I297 | L232-Q236 PolarHBondContact O-N 3.46Å; L232-Q236 VanDerWaalsContact O-N 3.1Å; L233-Q236 WeakPolarHBondContact O-CB 3.42Å; L233-Q236 WeakPolarHBondContact O-CG 3.36Å; L233-Q236 PolarHBondContact O-N 2.91Å; L233-Q236 PolarHBondContact O-NE2 3.35Å; Q236-V238 PolarHBondContact O-N 3.27Å; Q236-V238 VanDerWaalsContact O-N 3.15Å; Q236-L239 WeakPolarHBondContact O-CB 3.44Å; Q236-L239 PolarHBondContact O-N 3.15Å; Q236-K244 WeakPolarHBondContact O-CE 3.35Å; Q236-K244 PolarHBondContact O-NZ 3.01Å; Q236-I297 VanDerWaalsContact NE2-CG1 3.33Å |
| 237 | D | 96 | Very high | 98.1 | Very high | 143 Ų | 143 | 32.1 Ų | 32.1 | 77% | 0.765 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -64 | -20.5 | -177.3 | -67.8 | -22.7 | 0 | 0 | 0 | 114.1 | Y235 | Y235-D237 PolarHBondContact O-N 2.93Š|
| 238 | V | 97.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 34 Ų | 34 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -90.8 | -9.9 | 174.7 | -57.7 | 0 | 0 | 0 | 0 | 113.5 | I185 K186 C189 Y235 Q236 | I185-V238 HydrophobicContact CG2-CG1 4.3Å; I185-V238 HydrophobicContact CG2-CG2 3.91Å; K186-V238 HydrophobicContact CB-CB 4.24Å; K186-V238 HydrophobicContact CB-CG2 4.48Å; C189-V238 HydrophobicContact CB-CG2 4.39Å; Y235-V238 WeakPolarHBondContact O-CG2 3.37Å; Y235-V238 PolarHBondContact O-N 2.65Å; Y235-V238 VanDerWaalsContact O-N 3.13Å; Q236-V238 PolarHBondContact O-N 3.27Å; Q236-V238 VanDerWaalsContact O-N 3.15Å |
| 239 | L | 97.8 | Very high | 98 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -82.7 | 143.2 | 179.9 | -55.1 | -176.9 | 0 | 0 | 0 | 111.1 | C189 Q236 E243 K244 V247 | C189-L239 HydrophobicContact CB-CD2 3.74Å; Q236-L239 WeakPolarHBondContact O-CB 3.44Å; Q236-L239 PolarHBondContact O-N 3.15Å; L239-E243 HydrophobicContact CB-CB 4.07Å; L239-K244 HydrophobicContact CB-CG 3.78Å; L239-K244 HydrophobicContact CD1-CG 4.37Å; L239-K244 WeakPolarHBondContact O-CE 3.21Å; L239-V247 HydrophobicContact CD1-CG2 4.07Å |
| 240 | S | 97.7 | Very high | 98 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | trans | -68.9 | 163.6 | 167.1 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | A242 E243 K244 | S240-A242 VanDerWaalsContact C-N 3.34Å; S240-A242 PolarHBondContact O-N 3.1Å; S240-E243 VanDerWaalsContact CB-OE2 3.3Å; S240-E243 WeakPolarHBondContact CB-OE2 3.42Å; S240-E243 PolarHBondContact N-OE2 2.93Å; S240-E243 PolarHBondContact O-N 3.25Å; S240-E243 VanDerWaalsContact O-N 3.15Å; S240-E243 VanDerWaalsContact OG-CG 3.24Å; S240-E243 WeakPolarHBondContact OG-CG 3.48Å; S240-E243 PolarHBondContact OG-N 3.08Å; S240-E243 PolarHBondContact OG-OE2 3.49Å; S240-K244 WeakPolarHBondContact O-CG 3.26Å; S240-K244 PolarHBondContact O-N 2.99Å | ||
| 241 | G | 97.8 | Very high | 98 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 52% | 0.515 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.5 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E243 K244 D245 | G241-E243 PolarHBondContact O-N 2.61Å; G241-K244 WeakPolarHBondContact O-CB 3.46Å; G241-K244 PolarHBondContact O-N 3.21Å; G241-D245 VanDerWaalsContact O-CG 3.29Å; G241-D245 PolarHBondContact O-N 2.92Å |
| 242 | A | 97.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 55% | 0.554 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.4 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S240 D245 L246 | S240-A242 VanDerWaalsContact C-N 3.34Å; S240-A242 PolarHBondContact O-N 3.1Å; A242-D245 PolarHBondContact O-N 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.42Å; A242-L246 PolarHBondContact O-N 3.49Å |
| 243 | E | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.7 | -70.9 | 162.9 | 148.9 | 0 | 0 | 111.2 | R190 I193 L239 S240 G241 D245 L246 V247 | R190-E243 WeakPolarHBondContact CG-OE1 3.25Å; R190-E243 IonicContact NE-OE1 2.89Å; I193-E243 HydrophobicContact CG2-CG 4.29Å; L239-E243 HydrophobicContact CB-CB 4.07Å; S240-E243 VanDerWaalsContact CB-OE2 3.3Å; S240-E243 WeakPolarHBondContact CB-OE2 3.42Å; S240-E243 PolarHBondContact N-OE2 2.93Å; S240-E243 PolarHBondContact O-N 3.25Å; S240-E243 VanDerWaalsContact O-N 3.15Å; S240-E243 VanDerWaalsContact OG-CG 3.24Å; S240-E243 WeakPolarHBondContact OG-CG 3.48Å; S240-E243 PolarHBondContact OG-N 3.08Å; S240-E243 PolarHBondContact OG-OE2 3.49Å; G241-E243 PolarHBondContact O-N 2.61Å; E243-D245 VanDerWaalsContact C-N 3.32Å; E243-D245 PolarHBondContact O-N 3.3Å; E243-L246 PolarHBondContact O-N 3.35Å; E243-V247 WeakPolarHBondContact O-CG2 3.14Å; E243-V247 PolarHBondContact O-N 3.27Å; E243-V247 VanDerWaalsContact O-N 3.12Å |
| 244 | K | 98.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 173.9 | -69.7 | 177.2 | 176.8 | -173.7 | 0 | 111.6 | Q236 L239 S240 G241 L246 V247 W248 | Q236-K244 WeakPolarHBondContact O-CE 3.35Å; Q236-K244 PolarHBondContact O-NZ 3.01Å; L239-K244 HydrophobicContact CB-CG 3.78Å; L239-K244 HydrophobicContact CD1-CG 4.37Å; L239-K244 WeakPolarHBondContact O-CE 3.21Å; S240-K244 WeakPolarHBondContact O-CG 3.26Å; S240-K244 PolarHBondContact O-N 2.99Å; G241-K244 WeakPolarHBondContact O-CB 3.46Å; G241-K244 PolarHBondContact O-N 3.21Å; K244-L246 VanDerWaalsContact C-N 3.32Å; K244-L246 PolarHBondContact O-N 2.89Å; K244-V247 PolarHBondContact O-N 3.19Å; K244-W248 PolarHBondContact O-N 3.11Å |
| 245 | D | 97.9 | Very high | 97.7 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 179.5 | -66.7 | -24 | 0 | 0 | 0 | 111.7 | G241 A242 E243 W248 Q249 | G241-D245 VanDerWaalsContact O-CG 3.29Å; G241-D245 PolarHBondContact O-N 2.92Å; A242-D245 PolarHBondContact O-N 3.27Å; E243-D245 VanDerWaalsContact C-N 3.32Å; E243-D245 PolarHBondContact O-N 3.3Å; D245-W248 PolarHBondContact O-N 2.88Å; D245-Q249 WeakPolarHBondContact O-CB 3.3Å; D245-Q249 WeakPolarHBondContact O-CG 2.87Å; D245-Q249 PolarHBondContact O-N 3.47Å; D245-Q249 PolarHBondContact O-NE2 3.01Å |
| 246 | L | 98.4 | Very high | 97.6 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 175.2 | -63.8 | 171.5 | 0 | 0 | 0 | 111.7 | I193 K197 P208 L209 A242 E243 K244 S250 | I193-L246 HydrophobicContact CG2-CD1 4.22Å; K197-L246 HydrophobicContact CD-CD1 3.95Å; K197-L246 HydrophobicContact CG-CD1 4.37Å; P208-L246 HydrophobicContact CB-CB 4.26Å; P208-L246 HydrophobicContact CB-CD2 3.46Å; P208-L246 VanDerWaalsContact CB-CD2 3.46Å; P208-L246 HydrophobicContact CB-CG 4.43Å; P208-L246 HydrophobicContact CG-CD2 4.35Å; P208-L246 WeakPolarHBondContact CG-O 3.42Å; L209-L246 HydrophobicContact CD1-CB 4.28Å; L209-L246 HydrophobicContact CD2-CB 4.47Å; L209-L246 HydrophobicContact CG-CB 4.3Å; A242-L246 WeakPolarHBondContact O-CG 3.42Å; A242-L246 PolarHBondContact O-N 3.49Å; E243-L246 PolarHBondContact O-N 3.35Å; K244-L246 VanDerWaalsContact C-N 3.32Å; K244-L246 PolarHBondContact O-N 2.89Å; L246-S250 PolarHBondContact O-N 2.73Å |
| 247 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | I193 L209 L229 L232 L233 L239 E243 K244 Q249 S250 V251 | I193-V247 HydrophobicContact CD1-CG2 3.61Å; L209-V247 HydrophobicContact CD1-CG2 4.15Å; L229-V247 HydrophobicContact CD2-CG1 4.2Å; L232-V247 HydrophobicContact CB-CG1 4.03Å; L232-V247 HydrophobicContact CB-CG2 3.94Å; L232-V247 HydrophobicContact CD1-CG2 3.92Å; L232-V247 HydrophobicContact CG-CG2 4.44Å; L233-V247 HydrophobicContact CD2-CG1 3.68Å; L233-V247 HydrophobicContact CG-CG1 4.13Å; L239-V247 HydrophobicContact CD1-CG2 4.07Å; E243-V247 WeakPolarHBondContact O-CG2 3.14Å; E243-V247 PolarHBondContact O-N 3.27Å; E243-V247 VanDerWaalsContact O-N 3.12Å; K244-V247 PolarHBondContact O-N 3.19Å; V247-Q249 PolarHBondContact O-N 3.43Å; V247-S250 WeakPolarHBondContact O-CB 3.48Å; V247-S250 PolarHBondContact O-N 3.14Å; V247-S250 VanDerWaalsContact O-N 3.13Å; V247-V251 HydrophobicContact CG1-CG2 4.48Å; V247-V251 WeakPolarHBondContact O-CG2 3.25Å; V247-V251 PolarHBondContact O-N 3.06Å |
| 248 | W | 98.1 | Very high | 97.7 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | -179.6 | -76.5 | 116.4 | 0 | 0 | 0 | 113.1 | L233 K244 D245 S250 V251 D252 A294 I297 N298 Y303 | L233-W248 HydrophobicContact CD1-CH2 3.81Å; L233-W248 HydrophobicContact CD1-CZ2 4.42Å; L233-W248 HydrophobicContact CD1-CZ3 4.1Å; L233-W248 HydrophobicContact CD2-CD2 4.15Å; L233-W248 HydrophobicContact CD2-CE3 4.37Å; L233-W248 HydrophobicContact CD2-CH2 3.58Å; L233-W248 HydrophobicContact CD2-CZ2 3.35Å; L233-W248 HydrophobicContact CD2-CZ3 4.11Å; L233-W248 HydrophobicContact CG-CH2 4.36Å; K244-W248 PolarHBondContact O-N 3.11Å; D245-W248 PolarHBondContact O-N 2.88Å; W248-S250 VanDerWaalsContact C-N 3.27Å; W248-S250 PolarHBondContact O-N 3.19Å; W248-V251 HydrophobicContact CE3-CB 4.17Å; W248-V251 HydrophobicContact CE3-CG1 4.24Å; W248-V251 HydrophobicContact CE3-CG2 4.3Å; W248-V251 HydrophobicContact CZ3-CG1 4.18Å; W248-V251 HydrophobicContact CZ3-CG2 4.5Å; W248-V251 WeakPolarHBondContact O-CB 2.95Å; W248-V251 PolarHBondContact O-N 3.16Å; W248-D252 PolarHBondContact O-N 3.03Å; W248-A294 HydrophobicContact CH2-CB 3.99Å; W248-A294 HydrophobicContact CZ3-CB 3.8Å; W248-I297 HydrophobicContact CH2-CD1 4.5Å; W248-I297 HydrophobicContact CZ2-CD1 4.46Å; W248-I297 HydrophobicContact CZ2-CG2 4.21Å; W248-N298 WeakPolarHBondContact CH2-ND2 3.21Å; W248-N298 WeakPolarHBondContact CH2-OD1 3.45Å; W248-N298 VanDerWaalsContact CZ2-CG 3.45Å; W248-N298 WeakPolarHBondContact CZ2-ND2 3.49Å; W248-N298 WeakPolarHBondContact CZ2-OD1 3.03Å; W248-N298 WeakPolarHBondContact CZ3-ND2 3.34Å; W248-Y303 HydrophobicContact CZ3-CE2 4.04Å |
| 249 | Q | 97.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 44.1 Ų | 44.1 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -38.6 | 172.5 | -75 | 170.1 | 49.3 | 0 | 0 | 111.9 | P208 D245 V247 F253 | P208-Q249 HydrophobicContact CG-CB 3.63Å; D245-Q249 WeakPolarHBondContact O-CB 3.3Å; D245-Q249 WeakPolarHBondContact O-CG 2.87Å; D245-Q249 PolarHBondContact O-N 3.47Å; D245-Q249 PolarHBondContact O-NE2 3.01Å; V247-Q249 PolarHBondContact O-N 3.43Å; Q249-F253 WeakPolarHBondContact O-CB 3.37Å; Q249-F253 PolarHBondContact O-N 2.95Å |
| 250 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.5 | -32.5 | 174.8 | -79.7 | 0 | 0 | 0 | 0 | 113.6 | L209 L246 V247 W248 F253 L254 | L209-S250 VanDerWaalsContact CB-OG 3.29Å; L209-S250 WeakPolarHBondContact CB-OG 3.14Å; L209-S250 PolarHBondContact N-OG 2.84Å; L209-S250 VanDerWaalsContact N-OG 3.16Å; L209-S250 PolarHBondContact O-OG 3.26Å; L246-S250 PolarHBondContact O-N 2.73Å; V247-S250 WeakPolarHBondContact O-CB 3.48Å; V247-S250 PolarHBondContact O-N 3.14Å; V247-S250 VanDerWaalsContact O-N 3.13Å; W248-S250 VanDerWaalsContact C-N 3.27Å; W248-S250 PolarHBondContact O-N 3.19Å; S250-F253 PolarHBondContact O-N 3.29Å; S250-L254 PolarHBondContact O-N 3.36Å |
| 251 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 171.7 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | L229 L233 V247 W248 F253 L254 M255 L290 F291 A294 Y303 | L229-V251 HydrophobicContact CB-CG2 4.19Å; L229-V251 HydrophobicContact CD1-CG2 3.99Å; L233-V251 HydrophobicContact CD1-CG2 4.14Å; V247-V251 HydrophobicContact CG1-CG2 4.48Å; V247-V251 WeakPolarHBondContact O-CG2 3.25Å; V247-V251 PolarHBondContact O-N 3.06Å; W248-V251 HydrophobicContact CE3-CB 4.17Å; W248-V251 HydrophobicContact CE3-CG1 4.24Å; W248-V251 HydrophobicContact CE3-CG2 4.3Å; W248-V251 HydrophobicContact CZ3-CG1 4.18Å; W248-V251 HydrophobicContact CZ3-CG2 4.5Å; W248-V251 WeakPolarHBondContact O-CB 2.95Å; W248-V251 PolarHBondContact O-N 3.16Å; V251-F253 VanDerWaalsContact C-N 3.32Å; V251-F253 PolarHBondContact O-N 2.83Å; V251-L254 PolarHBondContact O-N 2.75Å; V251-M255 PolarHBondContact O-N 3.23Å; V251-L290 HydrophobicContact CG2-CD1 4.28Å; V251-F291 HydrophobicContact CG1-CD1 4.41Å; V251-F291 HydrophobicContact CG1-CE1 4.01Å; V251-A294 HydrophobicContact CG1-CB 4.47Å; V251-Y303 HydrophobicContact CG1-CE1 4.06Å |
| 252 | D | 96.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.8 | -39 | 177.6 | -69.5 | -17 | 0 | 0 | 0 | 110.6 | W248 M255 T256 Y303 | W248-D252 PolarHBondContact O-N 3.03Å; D252-M255 WeakPolarHBondContact O-CB 3.35Å; D252-M255 PolarHBondContact O-N 3.19Å; D252-T256 WeakPolarHBondContact O-CG2 3.4Å; D252-T256 PolarHBondContact O-N 3.33Å; D252-Y303 PolarHBondContact OD1-OH 3.47Å |
| 253 | F | 97.4 | Very high | 97.4 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -50.1 | 171 | 165.5 | -103.3 | 0 | 0 | 0 | 112.2 | F207 M210 L225 Q249 S250 V251 M255 T256 Q257 L267 | F207-F253 HydrophobicContact CB-CB 4.23Å; F207-F253 HydrophobicContact CB-CD1 4.17Å; F207-F253 HydrophobicContact CB-CD2 4.03Å; F207-F253 HydrophobicContact CB-CE2 4.5Å; F207-F253 HydrophobicContact CB-CG 3.84Å; F207-F253 HydrophobicContact CD1-CD1 4.12Å; F207-F253 AromaticContact CD1-CD2 3.48Å; F207-F253 HydrophobicContact CD1-CD2 3.48Å; F207-F253 VanDerWaalsContact CD1-CD2 3.48Å; F207-F253 AromaticContact CD1-CE1 3.82Å; F207-F253 HydrophobicContact CD1-CE1 3.82Å; F207-F253 AromaticContact CD1-CE2 3.12Å; F207-F253 HydrophobicContact CD1-CE2 3.12Å; F207-F253 AromaticContact CD1-CG 3.96Å; F207-F253 HydrophobicContact CD1-CG 3.96Å; F207-F253 AromaticContact CD1-CZ 3.3Å; F207-F253 HydrophobicContact CD1-CZ 3.3Å; F207-F253 HydrophobicContact CD2-CD1 4.38Å; F207-F253 HydrophobicContact CD2-CE1 4.17Å; F207-F253 HydrophobicContact CD2-CZ 4.39Å; F207-F253 HydrophobicContact CE1-CD2 4.2Å; F207-F253 AromaticContact CE1-CE1 3.93Å; F207-F253 HydrophobicContact CE1-CE1 3.93Å; F207-F253 AromaticContact CE1-CE2 3.37Å; F207-F253 HydrophobicContact CE1-CE2 3.37Å; F207-F253 AromaticContact CE1-CZ 3.2Å; F207-F253 HydrophobicContact CE1-CZ 3.2Å; F207-F253 HydrophobicContact CE2-CE1 4.28Å; F207-F253 HydrophobicContact CE2-CZ 4.31Å; F207-F253 AromaticContact CG-CD1 3.94Å; F207-F253 HydrophobicContact CG-CD1 3.94Å; F207-F253 AromaticContact CG-CD2 3.95Å; F207-F253 HydrophobicContact CG-CD2 3.95Å; F207-F253 AromaticContact CG-CE1 3.93Å; F207-F253 HydrophobicContact CG-CE1 3.93Å; F207-F253 AromaticContact CG-CE2 3.93Å; F207-F253 HydrophobicContact CG-CE2 3.93Å; F207-F253 AromaticContact CG-CG 3.95Å; F207-F253 HydrophobicContact CG-CG 3.95Å; F207-F253 AromaticContact CG-CZ 3.91Å; F207-F253 HydrophobicContact CG-CZ 3.91Å; F207-F253 HydrophobicContact CZ-CE1 4.15Å; F207-F253 HydrophobicContact CZ-CE2 4.34Å; F207-F253 AromaticContact CZ-CZ 3.74Å; F207-F253 HydrophobicContact CZ-CZ 3.74Å; M210-F253 HydrophobicContact CE-CD1 4.46Å; M210-F253 HydrophobicContact CE-CE1 3.57Å; M210-F253 HydrophobicContact CE-CZ 4.22Å; L225-F253 HydrophobicContact CD2-CD1 4.03Å; L225-F253 HydrophobicContact CD2-CE1 4.11Å; Q249-F253 WeakPolarHBondContact O-CB 3.37Å; Q249-F253 PolarHBondContact O-N 2.95Å; S250-F253 PolarHBondContact O-N 3.29Å; V251-F253 VanDerWaalsContact C-N 3.32Å; V251-F253 PolarHBondContact O-N 2.83Å; F253-M255 PolarHBondContact O-N 3.45Å; F253-T256 WeakPolarHBondContact O-CB 3.3Å; F253-T256 PolarHBondContact O-N 3.28Å; F253-T256 PolarHBondContact O-OG1 2.98Å; F253-Q257 HydrophobicContact CE1-CG 4.15Å; F253-Q257 HydrophobicContact CE2-CG 4.18Å; F253-Q257 HydrophobicContact CZ-CG 3.87Å; F253-L267 HydrophobicContact CE1-CD1 4.36Å; F253-L267 HydrophobicContact CZ-CD1 3.69Å; F253-L267 HydrophobicContact CZ-CD2 4.39Å |
| 254 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 179.5 | 179.7 | 56.8 | 0 | 0 | 0 | 111.8 | L219 L225 L229 S250 V251 T256 Q257 W263 L290 | L219-L254 HydrophobicContact CB-CD1 4.06Å; L219-L254 HydrophobicContact CD1-CD1 4.37Å; L219-L254 HydrophobicContact CD2-CD1 4.14Å; L219-L254 HydrophobicContact CG-CD1 4.43Å; L225-L254 HydrophobicContact CD2-CB 4.18Å; L225-L254 HydrophobicContact CD2-CD1 4.49Å; L225-L254 HydrophobicContact CG-CD2 4.43Å; L229-L254 HydrophobicContact CD1-CD2 4.41Å; S250-L254 PolarHBondContact O-N 3.36Å; V251-L254 PolarHBondContact O-N 2.75Å; L254-T256 VanDerWaalsContact C-N 3.29Å; L254-T256 PolarHBondContact O-N 3.3Å; L254-Q257 WeakPolarHBondContact O-CB 3.38Å; L254-Q257 PolarHBondContact O-N 3.46Å; L254-Q257 VanDerWaalsContact O-N 3.11Å; L254-W263 PolarHBondContact O-NE1 3.13Å; L254-L290 HydrophobicContact CD2-CD2 3.51Å |
| 255 | M | 96.5 | Very high | 97.2 | Very high | 34 Ų | 34 | 41 Ų | 41 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 173.3 | -176.9 | 175 | -73.5 | 0 | 0 | 112.3 | V251 D252 F253 Q257 E258 F291 Q302 Y303 | V251-M255 PolarHBondContact O-N 3.23Å; D252-M255 WeakPolarHBondContact O-CB 3.35Å; D252-M255 PolarHBondContact O-N 3.19Å; F253-M255 PolarHBondContact O-N 3.45Å; M255-Q257 PolarHBondContact O-N 3.35Å; M255-E258 PolarHBondContact O-N 3.01Å; M255-F291 HydrophobicContact CB-CE1 3.96Å; M255-F291 HydrophobicContact CB-CZ 3.77Å; M255-F291 HydrophobicContact CE-CD1 3.89Å; M255-F291 HydrophobicContact CE-CE1 3.63Å; M255-F291 HydrophobicContact CE-CZ 4.24Å; M255-F291 HydrophobicContact CG-CZ 4.41Å; M255-Q302 HydrophobicContact CE-CG 4.17Å; M255-Q302 HydrophobicContact SD-CG 4.36Å; M255-Y303 HydrophobicContact CE-CD1 3.26Å; M255-Y303 HydrophobicContact CE-CE1 3.49Å; M255-Y303 VanDerWaalsContact CE-CE1 3.49Å; M255-Y303 HydrophobicContact CE-CG 4.44Å |
| 256 | T | 96.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 61% | 0.607 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.7 | 176.9 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | D252 F253 L254 E258 | D252-T256 WeakPolarHBondContact O-CG2 3.4Å; D252-T256 PolarHBondContact O-N 3.33Å; F253-T256 WeakPolarHBondContact O-CB 3.3Å; F253-T256 PolarHBondContact O-N 3.28Å; F253-T256 PolarHBondContact O-OG1 2.98Å; L254-T256 VanDerWaalsContact C-N 3.29Å; L254-T256 PolarHBondContact O-N 3.3Å; T256-E258 VanDerWaalsContact C-N 3.29Å |
| 257 | Q | 97.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 40 Ų | 40 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.7 | 178.2 | -52.9 | -50.8 | -69.7 | 0 | 0 | 113.2 | L219 F253 L254 M255 Q259 L267 | L219-Q257 HydrophobicContact CD1-CB 3.96Å; L219-Q257 HydrophobicContact CD1-CG 4.36Å; F253-Q257 HydrophobicContact CE1-CG 4.15Å; F253-Q257 HydrophobicContact CE2-CG 4.18Å; F253-Q257 HydrophobicContact CZ-CG 3.87Å; L254-Q257 WeakPolarHBondContact O-CB 3.38Å; L254-Q257 PolarHBondContact O-N 3.46Å; L254-Q257 VanDerWaalsContact O-N 3.11Å; M255-Q257 PolarHBondContact O-N 3.35Å; Q257-Q259 PolarHBondContact O-N 2.81Å; Q257-L267 HydrophobicContact CG-CD1 4.22Å |
| 258 | E | 97.3 | Very high | 96.9 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | trans | -60.9 | 131.9 | 176.1 | -169.1 | -176 | 116.3 | 0 | 0 | 111.2 | M255 T256 N262 W263 R309 | M255-E258 PolarHBondContact O-N 3.01Å; T256-E258 VanDerWaalsContact C-N 3.29Å; E258-N262 CarbonylContact C-O 3.55Å; E258-N262 WeakPolarHBondContact CA-O 3.21Å; E258-W263 HydrophobicContact CB-CH2 4.02Å; E258-W263 HydrophobicContact CB-CZ2 3.61Å; E258-W263 HydrophobicContact CG-CH2 3.66Å; E258-W263 HydrophobicContact CG-CZ2 3.82Å; E258-W263 HydrophobicContact CG-CZ3 4.12Å; E258-W263 WeakPolarHBondContact OE2-CH2 3.38Å; E258-R309 IonicContact OE1-CZ 2.76Å; E258-R309 IonicContact OE1-NE 3.66Å; E258-R309 PolarHBondContact OE1-NE 2.89Å; E258-R309 IonicContact OE1-NH2 2.83Å; E258-R309 IonicContact OE2-CZ 3.09Å; E258-R309 IonicContact OE2-NE 2.71Å; E258-R309 PolarHBondContact OE2-NE 3.31Å; E258-R309 IonicContact OE2-NH2 3.3Å; E258-R309 PolarHBondContact OE2-NH2 3.32Å | ||
| 259 | Q | 96.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -128.1 | 114.7 | 173.4 | -62.6 | 179 | 30.6 | 0 | 0 | 108.4 | Q257 C261 N262 A269 I271 | Q257-Q259 PolarHBondContact O-N 2.81Å; Q259-C261 PolarHBondContact O-N 2.94Å; Q259-N262 PolarHBondContact N-O 2.9Å; Q259-N262 CarbonylContact O-C 3.49Å; Q259-N262 WeakPolarHBondContact O-CA 3.5Å; Q259-N262 PolarHBondContact O-N 3.48Å; Q259-A269 PolarHBondContact NE2-O 3.32Å; Q259-I271 HydrophobicContact CB-CD1 3.85Å; Q259-I271 HydrophobicContact CB-CG1 4.22Å |
| 260 | N | 93.1 | Very high | 96.7 | Very high | 132 Ų | 132 | 45.2 Ų | 45.2 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.4 | 178.7 | -55.9 | -50.4 | 0 | 0 | 0 | 113.7 | N262 | N260-N262 PolarHBondContact O-N 3.43Š|
| 261 | C | 95.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 13.8 | -175.6 | -51.7 | 0 | 0 | 0 | 0 | 115 | Q259 R309 L313 | Q259-C261 PolarHBondContact O-N 2.94Å; C261-R309 HydrophobicContact CB-CB 4.25Å; C261-L313 WeakPolarHBondContact O-CD2 3.22Å |
| 262 | N | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -129.3 | 172.7 | 178.4 | -158.8 | 2.8 | 0 | 0 | 0 | 111.6 | E258 Q259 N260 I271 E276 L277 G283 A284 L313 | E258-N262 CarbonylContact C-O 3.55Å; E258-N262 WeakPolarHBondContact CA-O 3.21Å; Q259-N262 PolarHBondContact N-O 2.9Å; Q259-N262 CarbonylContact O-C 3.49Å; Q259-N262 WeakPolarHBondContact O-CA 3.5Å; Q259-N262 PolarHBondContact O-N 3.48Å; N260-N262 PolarHBondContact O-N 3.43Å; N262-I271 HydrophobicContact CB-CD1 3.68Å; N262-E276 VanDerWaalsContact ND2-CG 3.27Å; N262-E276 WeakPolarHBondContact ND2-CG 3.42Å; N262-E276 PolarHBondContact ND2-OE1 3.29Å; N262-L277 PolarHBondContact ND2-O 2.85Å; N262-G283 VanDerWaalsContact OD1-CA 3.29Å; N262-G283 WeakPolarHBondContact OD1-CA 3.29Å; N262-A284 PolarHBondContact OD1-N 3.03Å; N262-L313 HydrophobicContact CB-CD2 3.54Å |
| 263 | W | 98 | Very high | 95.3 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | trans | -121.8 | 137.6 | 174.5 | -78.8 | -101 | 0 | 0 | 0 | 110.1 | L254 E258 A284 V287 F291 T306 | L254-W263 PolarHBondContact O-NE1 3.13Å; E258-W263 HydrophobicContact CB-CH2 4.02Å; E258-W263 HydrophobicContact CB-CZ2 3.61Å; E258-W263 HydrophobicContact CG-CH2 3.66Å; E258-W263 HydrophobicContact CG-CZ2 3.82Å; E258-W263 HydrophobicContact CG-CZ3 4.12Å; E258-W263 WeakPolarHBondContact OE2-CH2 3.38Å; W263-A284 HydrophobicContact CE3-CB 4Å; W263-A284 HydrophobicContact CZ3-CB 4.05Å; W263-V287 HydrophobicContact CB-CG2 4.12Å; W263-V287 HydrophobicContact CD2-CB 4.11Å; W263-V287 HydrophobicContact CD2-CG1 3.72Å; W263-V287 HydrophobicContact CD2-CG2 4.19Å; W263-V287 HydrophobicContact CE3-CB 4.09Å; W263-V287 HydrophobicContact CE3-CG1 3.98Å; W263-V287 HydrophobicContact CE3-CG2 4.49Å; W263-V287 HydrophobicContact CG-CB 4.43Å; W263-V287 HydrophobicContact CG-CG1 4.21Å; W263-V287 HydrophobicContact CG-CG2 3.99Å; W263-V287 HydrophobicContact CH2-CG1 4.42Å; W263-V287 HydrophobicContact CZ2-CG1 4.12Å; W263-V287 HydrophobicContact CZ3-CG1 4.33Å; W263-F291 HydrophobicContact CH2-CE2 4.22Å; W263-F291 AromaticContact CZ2-CE2 3.7Å; W263-F291 HydrophobicContact CZ2-CE2 3.7Å; W263-F291 HydrophobicContact CZ2-CZ 4.39Å; W263-T306 HydrophobicContact CH2-CG2 3.47Å; W263-T306 VanDerWaalsContact CH2-CG2 3.47Å; W263-T306 HydrophobicContact CZ2-CG2 4.08Å; W263-T306 HydrophobicContact CZ3-CG2 4.36Å | ||
| 264 | P | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | trans | -63.8 | 154 | 171.1 | 29.3 | -33.8 | 0 | 0 | 0 | 109.7 | L219 E266 A269 I271 | L219-P264 HydrophobicContact CD1-CG 3.8Å; P264-E266 PolarHBondContact O-N 2.84Å; P264-A269 HydrophobicContact CB-CB 4.06Å; P264-A269 WeakPolarHBondContact CB-O 3.39Å; P264-I271 HydrophobicContact CB-CG1 4.06Å | ||
| 265 | A | 96 | Very high | 93.7 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -60.8 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y218 L219 L277 H282 | Y218-A265 WeakPolarHBondContact CA-O 3.46Å; L219-A265 PolarHBondContact N-O 3.34Å; A265-L277 HydrophobicContact CB-CD1 4.12Å; A265-H282 HydrophobicContact CB-CB 4.05Å |
| 266 | E | 96.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -130.7 | 148.3 | -170.9 | -51.7 | 178.7 | -158.5 | 0 | 0 | 110.1 | T216 E217 Y218 P264 G268 A269 | T216-E266 HydrophobicContact CG2-CB 4.1Å; T216-E266 HydrophobicContact CG2-CG 3.43Å; T216-E266 VanDerWaalsContact CG2-CG 3.43Å; T216-E266 WeakPolarHBondContact CG2-OE2 3.49Å; E217-E266 CarbonylContact O-C 3.54Å; E217-E266 WeakPolarHBondContact O-CA 3.48Å; Y218-E266 HydrophobicContact CD1-CG 4.01Å; Y218-E266 HydrophobicContact CE1-CG 4.05Å; P264-E266 PolarHBondContact O-N 2.84Å; E266-G268 PolarHBondContact O-N 3.15Å; E266-A269 HydrophobicContact CB-CB 4.5Å; E266-A269 PolarHBondContact O-N 3.01Å |
| 267 | L | 96.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 132.5 | 177.5 | -175.4 | 68.3 | 0 | 0 | 0 | 111.6 | F207 M210 E217 L219 F253 Q257 A269 | F207-L267 HydrophobicContact CE1-CD2 4.12Å; F207-L267 HydrophobicContact CE2-CD2 4.46Å; F207-L267 HydrophobicContact CZ-CD2 3.52Å; M210-L267 HydrophobicContact CE-CD2 3.94Å; E217-L267 HydrophobicContact CB-CB 3.92Å; E217-L267 PolarHBondContact O-N 3.44Å; E217-L267 WeakPolarHBondContact OE2-CD2 3.33Å; L219-L267 HydrophobicContact CD2-CB 4.15Å; L219-L267 HydrophobicContact CD2-CD1 4.25Å; F253-L267 HydrophobicContact CE1-CD1 4.36Å; F253-L267 HydrophobicContact CZ-CD1 3.69Å; F253-L267 HydrophobicContact CZ-CD2 4.39Å; Q257-L267 HydrophobicContact CG-CD1 4.22Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 3.45Å |
| 268 | G | 94.9 | Very high | 93.5 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E266 | E266-G268 PolarHBondContact O-N 3.15Š|
| 269 | A | 95.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 60 Ų | 60 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | trans | -73.1 | 151.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q259 P264 E266 L267 | Q259-A269 PolarHBondContact NE2-O 3.32Å; P264-A269 HydrophobicContact CB-CB 4.06Å; P264-A269 WeakPolarHBondContact CB-O 3.39Å; E266-A269 HydrophobicContact CB-CB 4.5Å; E266-A269 PolarHBondContact O-N 3.01Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 3.45Å | ||
| 270 | I | 95.4 | Very high | 93.7 | Very high | 142 Ų | 142 | 57.7 Ų | 57.7 | 73% | 0.728 | 31% | 0.307 | S | S | * | . | trans | -103.2 | 133.2 | 174.9 | -62 | 174.1 | 0 | 0 | 0 | 108.1 | E272 | I270-E272 PolarHBondContact O-N 3.32Å; I270-E272 VanDerWaalsContact O-N 3.12Å | ||
| 271 | I | 92.7 | Very high | 93.9 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | trans | -73.5 | 106.5 | 176.3 | -58.5 | -178.7 | 0 | 0 | 0 | 109.5 | Q259 N262 P264 E276 | Q259-I271 HydrophobicContact CB-CD1 3.85Å; Q259-I271 HydrophobicContact CB-CG1 4.22Å; N262-I271 HydrophobicContact CB-CD1 3.68Å; P264-I271 HydrophobicContact CB-CG1 4.06Å; I271-E276 HydrophobicContact CG2-CB 3.94Å; I271-E276 HydrophobicContact CG2-CG 3.72Å | ||
| 272 | E | 89.1 | Confident | 94 | Very high | 120 Ų | 120 | 51.2 Ų | 51.2 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | trans | -79.8 | 132.4 | 168.4 | -63.4 | 179.7 | 169.4 | 0 | 0 | 110.2 | I270 E274 N275 E276 | I270-E272 PolarHBondContact O-N 3.32Å; I270-E272 VanDerWaalsContact O-N 3.12Å; E272-E274 PolarHBondContact O-N 3.43Å; E272-E274 VanDerWaalsContact O-N 3.09Å; E272-N275 HydrophobicContact CB-CB 4.42Å; E272-N275 CarbonylContact O-C 3.49Å; E272-N275 PolarHBondContact O-N 3.4Å; E272-N275 PolarHBondContact OE2-ND2 2.86Å; E272-E276 PolarHBondContact O-N 2.98Å | ||
| 273 | R | 82.2 | Confident | 94 | Very high | 224 Ų | 224 | 51.1 Ų | 51.1 | 85% | 0.845 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.9 | -177.4 | -71.3 | -175.1 | 178.3 | -167.1 | -0.7 | 113.7 | ||
| 274 | E | 80.6 | Confident | 94.1 | Very high | 109 Ų | 109 | 51 Ų | 51 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -21.8 | -177.6 | -61.2 | 178.2 | -169.6 | 0 | 0 | 112.9 | M1 E272 | M1-E274 WeakPolarHBondContact CE-OE1 3.42Å; E272-E274 PolarHBondContact O-N 3.43Å; E272-E274 VanDerWaalsContact O-N 3.09Å |
| 275 | N | 81.9 | Confident | 94.1 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -118.2 | 15.2 | -176.1 | -71.4 | -47.1 | 0 | 0 | 0 | 113.1 | R5 E272 L277 | R5-N275 PolarHBondContact NH2-OD1 3.44Å; R5-N275 VanDerWaalsContact NH2-OD1 3.11Å; E272-N275 HydrophobicContact CB-CB 4.42Å; E272-N275 CarbonylContact O-C 3.49Å; E272-N275 PolarHBondContact O-N 3.4Å; E272-N275 PolarHBondContact OE2-ND2 2.86Å; N275-L277 PolarHBondContact O-N 3.49Å |
| 276 | E | 92.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | trans | -61.2 | 122.3 | -178.3 | -175.4 | 173.4 | -154.6 | 0 | 0 | 111.3 | N262 I271 E272 V278 K317 | N262-E276 VanDerWaalsContact ND2-CG 3.27Å; N262-E276 WeakPolarHBondContact ND2-CG 3.42Å; N262-E276 PolarHBondContact ND2-OE1 3.29Å; I271-E276 HydrophobicContact CG2-CB 3.94Å; I271-E276 HydrophobicContact CG2-CG 3.72Å; E272-E276 PolarHBondContact O-N 2.98Å; E276-V278 HydrophobicContact CG-CG2 4.06Å; E276-K317 IonicContact OE1-NZ 2.95Å; E276-K317 WeakPolarHBondContact OE2-CD 3.47Å; E276-K317 IonicContact OE2-NZ 3.64Å; E276-K317 PolarHBondContact OE2-NZ 2.95Å | ||
| 277 | L | 96.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | trans | -93.5 | 119.5 | 175 | -55.3 | -176.6 | 0 | 0 | 0 | 109.1 | N262 A265 N275 H282 | N262-L277 PolarHBondContact ND2-O 2.85Å; A265-L277 HydrophobicContact CB-CD1 4.12Å; N275-L277 PolarHBondContact O-N 3.49Å; L277-H282 HydrophobicContact CB-CB 4.32Å; L277-H282 HydrophobicContact CD1-CB 3.83Å | ||
| 278 | V | 97.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | trans | -117.3 | 64.2 | 173.9 | -172.1 | 0 | 0 | 0 | 0 | 107.1 | E276 P285 L313 V314 K317 | E276-V278 HydrophobicContact CG-CG2 4.06Å; V278-P285 HydrophobicContact CG1-CG 3.67Å; V278-L313 HydrophobicContact CG1-CD2 4.43Å; V278-L313 HydrophobicContact CG1-CG 4.29Å; V278-L313 HydrophobicContact CG2-CD2 4.37Å; V278-L313 HydrophobicContact CG2-CG 4.42Å; V278-V314 HydrophobicContact CG1-CG2 4.25Å; V278-K317 HydrophobicContact CG2-CB 4.11Å | ||
| 279 | H | 98.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -121.5 | 160.5 | -172.8 | -55.6 | 159.9 | 0 | 0 | 0 | 111.5 | H282 P285 G286 L320 H328 | H279-H282 WeakPolarHBondContact CB-O 3.29Å; H279-H282 PolarHBondContact N-O 3.42Å; H279-H282 CarbonylContact O-C 3.12Å; H279-H282 VanDerWaalsContact O-O 3.07Å; H279-P285 WeakPolarHBondContact O-CD 3.07Å; H279-G286 PolarHBondContact O-N 3.05Å; H279-L320 VanDerWaalsContact CD2-CD1 3.47Å; H279-L320 WeakPolarHBondContact CD2-CD1 3.35Å; H279-H328 HydrophobicContact CB-CB 3.69Å; H279-H328 VanDerWaalsContact CG-CB 3.42Å |
| 280 | W | 98.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -65.7 | -42 | 170.2 | 168.1 | 87.3 | 0 | 0 | 0 | 110.9 | L108 L157 F158 A221 A222 H282 G286 Y289 C327 F379 F400 F403 | L108-W280 HydrophobicContact CD1-CH2 4.29Å; L157-W280 HydrophobicContact CD2-CH2 3.72Å; L157-W280 HydrophobicContact CD2-CZ2 3.65Å; F158-W280 AromaticContact CE1-CH2 3.84Å; F158-W280 HydrophobicContact CE1-CH2 3.84Å; F158-W280 AromaticContact CE1-CZ3 3.84Å; F158-W280 HydrophobicContact CE1-CZ3 3.84Å; F158-W280 HydrophobicContact CZ-CH2 4.46Å; F158-W280 HydrophobicContact CZ-CZ3 4.03Å; A221-W280 HydrophobicContact CB-CZ2 4.34Å; A221-W280 WeakPolarHBondContact CB-O 3.35Å; A222-W280 HydrophobicContact CB-CZ3 4.33Å; W280-H282 PolarHBondContact O-N 3.19Å; W280-G286 WeakPolarHBondContact O-CA 3.49Å; W280-Y289 AromaticContact CD1-CE2 3.99Å; W280-C327 WeakPolarHBondContact CB-O 3.49Å; W280-C327 HydrophobicContact CE3-CB 4.4Å; W280-C327 PolarHBondContact N-O 3.35Å; W280-F379 HydrophobicContact CE3-CE1 4.44Å; W280-F379 HydrophobicContact CH2-CD1 4.38Å; W280-F379 AromaticContact CH2-CE1 3.66Å; W280-F379 HydrophobicContact CH2-CE1 3.66Å; W280-F379 HydrophobicContact CZ2-CE1 4.36Å; W280-F379 AromaticContact CZ3-CD1 3.97Å; W280-F379 HydrophobicContact CZ3-CD1 3.97Å; W280-F379 AromaticContact CZ3-CE1 3.71Å; W280-F379 HydrophobicContact CZ3-CE1 3.71Å; W280-F400 HydrophobicContact CB-CE2 4.16Å; W280-F400 HydrophobicContact CB-CZ 4.26Å; W280-F400 AromaticContact CD1-CE2 3.66Å; W280-F400 AromaticContact CD1-CZ 3.72Å; W280-F400 HydrophobicContact CD2-CE1 4.03Å; W280-F400 HydrophobicContact CD2-CE2 4.27Å; W280-F400 AromaticContact CD2-CZ 3.61Å; W280-F400 HydrophobicContact CD2-CZ 3.61Å; W280-F400 AromaticContact CE2-CE1 3.66Å; W280-F400 AromaticContact CE2-CZ 3.73Å; W280-F400 HydrophobicContact CE3-CZ 4.22Å; W280-F400 HydrophobicContact CG-CE1 4.34Å; W280-F400 AromaticContact CG-CE2 3.77Å; W280-F400 HydrophobicContact CG-CE2 3.77Å; W280-F400 AromaticContact CG-CZ 3.61Å; W280-F400 HydrophobicContact CG-CZ 3.61Å; W280-F400 AromaticContact CZ2-CE1 3.96Å; W280-F400 HydrophobicContact CZ2-CE1 3.96Å; W280-F400 HydrophobicContact CZ2-CZ 4.4Å; W280-F400 AromaticContact NE1-CE1 3.77Å; W280-F400 AromaticContact NE1-CZ 3.78Å; W280-F403 HydrophobicContact CZ2-CD1 4.3Å; W280-F403 HydrophobicContact CZ2-CG 4.3Å; W280-F403 AromaticContact NE1-CD1 3.62Å; W280-F403 AromaticContact NE1-CE1 3.85Å |
| 281 | C | 98.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -63.7 | -40.1 | 178.3 | 52 | 0 | 0 | 0 | 0 | 113.3 | G220 A221 A222 C327 | G220-C281 CarbonylContact C-O 3.16Å; G220-C281 WeakPolarHBondContact CA-O 3.48Å; A221-C281 PolarHBondContact N-O 3.15Å; A222-C281 HydrophobicContact CB-CB 3.51Å; A222-C281 PolarHBondContact N-O 2.97Å; C281-C327 PolarHBondContact N-O 3.36Å; C281-C327 VanDerWaalsContact N-O 3.12Å |
| 282 | H | 97.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 31 Ų | 31 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -142.2 | 120.9 | -177.4 | -55.3 | -76.4 | 0 | 0 | 0 | 111.3 | Y218 A265 L277 H279 W280 | Y218-H282 AromaticContact CD1-CE1 3.6Å; Y218-H282 AromaticContact CD1-ND1 3.98Å; Y218-H282 AromaticContact CE1-CE1 3.84Å; A265-H282 HydrophobicContact CB-CB 4.05Å; L277-H282 HydrophobicContact CB-CB 4.32Å; L277-H282 HydrophobicContact CD1-CB 3.83Å; H279-H282 WeakPolarHBondContact CB-O 3.29Å; H279-H282 PolarHBondContact N-O 3.42Å; H279-H282 CarbonylContact O-C 3.12Å; H279-H282 VanDerWaalsContact O-O 3.07Å; W280-H282 PolarHBondContact O-N 3.19Å |
| 283 | G | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 116.4 | -174.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N262 P285 G286 V287 | N262-G283 VanDerWaalsContact OD1-CA 3.29Å; N262-G283 WeakPolarHBondContact OD1-CA 3.29Å; G283-P285 VanDerWaalsContact C-N 3.32Å; G283-G286 PolarHBondContact O-N 3.28Å; G283-V287 WeakPolarHBondContact O-CG2 3.43Å; G283-V287 PolarHBondContact O-N 3.16Å |
| 284 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -49.5 | -40.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N262 W263 G286 V287 A288 L313 | N262-A284 PolarHBondContact OD1-N 3.03Å; W263-A284 HydrophobicContact CE3-CB 4Å; W263-A284 HydrophobicContact CZ3-CB 4.05Å; A284-G286 VanDerWaalsContact C-N 3.28Å; A284-G286 PolarHBondContact O-N 3.48Å; A284-V287 PolarHBondContact O-N 3Å; A284-A288 WeakPolarHBondContact O-CB 3.46Å; A284-A288 PolarHBondContact O-N 3.19Å; A284-L313 HydrophobicContact CB-CD2 3.84Å |
| 285 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | -176.4 | -24.8 | 34.7 | 0 | 0 | 0 | 113.2 | V278 H279 G283 Y289 V314 V336 | V278-P285 HydrophobicContact CG1-CG 3.67Å; H279-P285 WeakPolarHBondContact O-CD 3.07Å; G283-P285 VanDerWaalsContact C-N 3.32Å; P285-Y289 WeakPolarHBondContact O-CD2 3.16Å; P285-Y289 WeakPolarHBondContact O-CE2 3.27Å; P285-V314 HydrophobicContact CB-CG2 4.27Å; P285-V314 HydrophobicContact CG-CG2 3.72Å; P285-V336 HydrophobicContact CB-CG2 3.73Å |
| 286 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -78.3 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H279 W280 G283 A284 A288 Y289 | H279-G286 PolarHBondContact O-N 3.05Å; W280-G286 WeakPolarHBondContact O-CA 3.49Å; G283-G286 PolarHBondContact O-N 3.28Å; A284-G286 VanDerWaalsContact C-N 3.28Å; A284-G286 PolarHBondContact O-N 3.48Å; G286-A288 PolarHBondContact O-N 3.2Å; G286-Y289 WeakPolarHBondContact O-CD2 3.36Å; G286-Y289 PolarHBondContact O-N 3.12Å |
| 287 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.3 | -29.8 | -177.6 | 174.1 | 0 | 0 | 0 | 0 | 112 | W263 G283 A284 Y289 L290 F291 | W263-V287 HydrophobicContact CB-CG2 4.12Å; W263-V287 HydrophobicContact CD2-CB 4.11Å; W263-V287 HydrophobicContact CD2-CG1 3.72Å; W263-V287 HydrophobicContact CD2-CG2 4.19Å; W263-V287 HydrophobicContact CE3-CB 4.09Å; W263-V287 HydrophobicContact CE3-CG1 3.98Å; W263-V287 HydrophobicContact CE3-CG2 4.49Å; W263-V287 HydrophobicContact CG-CB 4.43Å; W263-V287 HydrophobicContact CG-CG1 4.21Å; W263-V287 HydrophobicContact CG-CG2 3.99Å; W263-V287 HydrophobicContact CH2-CG1 4.42Å; W263-V287 HydrophobicContact CZ2-CG1 4.12Å; W263-V287 HydrophobicContact CZ3-CG1 4.33Å; G283-V287 WeakPolarHBondContact O-CG2 3.43Å; G283-V287 PolarHBondContact O-N 3.16Å; A284-V287 PolarHBondContact O-N 3Å; V287-Y289 PolarHBondContact O-N 3.49Å; V287-Y289 VanDerWaalsContact O-N 3.12Å; V287-L290 PolarHBondContact O-N 3.4Å; V287-F291 HydrophobicContact CG1-CD2 3.73Å; V287-F291 HydrophobicContact CG1-CE2 3.35Å; V287-F291 HydrophobicContact CG1-CZ 4.39Å; V287-F291 PolarHBondContact O-N 2.95Å |
| 288 | A | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.3 | -29.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A284 G286 F291 A292 C307 L339 | A284-A288 WeakPolarHBondContact O-CB 3.46Å; A284-A288 PolarHBondContact O-N 3.19Å; G286-A288 PolarHBondContact O-N 3.2Å; A288-F291 PolarHBondContact O-N 3.44Å; A288-A292 WeakPolarHBondContact O-CB 3.39Å; A288-A292 PolarHBondContact O-N 3.11Å; A288-C307 PolarHBondContact O-SG 3.03Å; A288-L339 HydrophobicContact CB-CD2 4.42Å |
| 289 | Y | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 2% | 0.02 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.4 | -38.1 | -179 | -72.1 | -102.3 | 0 | 0 | 0 | 112.5 | W280 P285 G286 V287 A292 K293 Y335 L339 F400 F403 V405 | W280-Y289 AromaticContact CD1-CE2 3.99Å; P285-Y289 WeakPolarHBondContact O-CD2 3.16Å; P285-Y289 WeakPolarHBondContact O-CE2 3.27Å; G286-Y289 WeakPolarHBondContact O-CD2 3.36Å; G286-Y289 PolarHBondContact O-N 3.12Å; V287-Y289 PolarHBondContact O-N 3.49Å; V287-Y289 VanDerWaalsContact O-N 3.12Å; Y289-A292 PolarHBondContact O-N 3.47Å; Y289-K293 PolarHBondContact O-N 3.5Å; Y289-Y335 VanDerWaalsContact OH-CB 3.27Å; Y289-Y335 WeakPolarHBondContact OH-CB 3.1Å; Y289-L339 HydrophobicContact CD1-CD2 4.11Å; Y289-L339 HydrophobicContact CD2-CD2 4.18Å; Y289-L339 HydrophobicContact CE1-CD2 4.14Å; Y289-L339 HydrophobicContact CE2-CD2 4.23Å; Y289-L339 HydrophobicContact CG-CD2 4.11Å; Y289-F400 HydrophobicContact CD1-CB 4.5Å; Y289-F400 HydrophobicContact CE1-CB 3.49Å; Y289-F400 VanDerWaalsContact CE1-CB 3.49Å; Y289-F400 HydrophobicContact CE1-CG 4.23Å; Y289-F400 AromaticContact CZ-CD2 3.97Å; Y289-F400 WeakPolarHBondContact OH-CD2 3.27Å; Y289-F403 AromaticContact CD1-CD1 3.84Å; Y289-F403 HydrophobicContact CD1-CD1 3.84Å; Y289-F403 HydrophobicContact CD1-CE1 4.06Å; Y289-F403 HydrophobicContact CD2-CE1 4.5Å; Y289-F403 HydrophobicContact CE1-CD1 4.48Å; Y289-F403 HydrophobicContact CG-CD1 4.03Å; Y289-F403 AromaticContact CG-CE1 3.8Å; Y289-F403 HydrophobicContact CG-CE1 3.8Å; Y289-V405 HydrophobicContact CD1-CG2 3.66Å; Y289-V405 HydrophobicContact CG-CG2 4.34Å |
| 290 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 172 | 167.9 | 65 | 0 | 0 | 0 | 110.4 | S226 L229 Q230 L233 V251 L254 V287 A292 K293 A294 | S226-L290 WeakPolarHBondContact OG-CB 3.3Å; L229-L290 HydrophobicContact CB-CD1 3.78Å; L229-L290 HydrophobicContact CB-CD2 4.04Å; L229-L290 HydrophobicContact CD1-CD2 4.13Å; Q230-L290 HydrophobicContact CB-CB 4.41Å; Q230-L290 HydrophobicContact CB-CD1 4Å; L233-L290 HydrophobicContact CD1-CD1 3.77Å; V251-L290 HydrophobicContact CG2-CD1 4.28Å; L254-L290 HydrophobicContact CD2-CD2 3.51Å; V287-L290 PolarHBondContact O-N 3.4Å; L290-A292 VanDerWaalsContact C-N 3.3Å; L290-A292 PolarHBondContact O-N 3.32Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 2.94Å; L290-K293 VanDerWaalsContact O-N 3.15Å; L290-A294 WeakPolarHBondContact O-CB 3.43Å; L290-A294 PolarHBondContact O-N 3.34Å |
| 291 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.7 | -30 | -177.3 | -67.3 | -57.3 | 0 | 0 | 0 | 112.5 | V251 M255 W263 V287 A288 A294 Y295 Y303 T306 | V251-F291 HydrophobicContact CG1-CD1 4.41Å; V251-F291 HydrophobicContact CG1-CE1 4.01Å; M255-F291 HydrophobicContact CB-CE1 3.96Å; M255-F291 HydrophobicContact CB-CZ 3.77Å; M255-F291 HydrophobicContact CE-CD1 3.89Å; M255-F291 HydrophobicContact CE-CE1 3.63Å; M255-F291 HydrophobicContact CE-CZ 4.24Å; M255-F291 HydrophobicContact CG-CZ 4.41Å; W263-F291 HydrophobicContact CH2-CE2 4.22Å; W263-F291 AromaticContact CZ2-CE2 3.7Å; W263-F291 HydrophobicContact CZ2-CE2 3.7Å; W263-F291 HydrophobicContact CZ2-CZ 4.39Å; V287-F291 HydrophobicContact CG1-CD2 3.73Å; V287-F291 HydrophobicContact CG1-CE2 3.35Å; V287-F291 HydrophobicContact CG1-CZ 4.39Å; V287-F291 PolarHBondContact O-N 2.95Å; A288-F291 PolarHBondContact O-N 3.44Å; F291-A294 PolarHBondContact O-N 3.13Å; F291-Y295 WeakPolarHBondContact O-CB 3.44Å; F291-Y295 PolarHBondContact O-N 3.23Å; F291-Y303 AromaticContact CD1-CD1 3.67Å; F291-Y303 HydrophobicContact CD1-CD1 3.67Å; F291-Y303 HydrophobicContact CD1-CE1 4.25Å; F291-Y303 HydrophobicContact CE1-CD1 4.23Å; F291-Y303 HydrophobicContact CE1-CE1 4.44Å; F291-T306 HydrophobicContact CB-CG2 4.27Å; F291-T306 HydrophobicContact CD2-CG2 3.27Å; F291-T306 HydrophobicContact CE2-CG2 3.68Å; F291-T306 HydrophobicContact CG-CG2 3.86Å |
| 292 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A288 Y289 L290 A294 Y295 L296 C307 L339 L343 V405 | A288-A292 WeakPolarHBondContact O-CB 3.39Å; A288-A292 PolarHBondContact O-N 3.11Å; Y289-A292 PolarHBondContact O-N 3.47Å; L290-A292 VanDerWaalsContact C-N 3.3Å; L290-A292 PolarHBondContact O-N 3.32Å; A292-A294 VanDerWaalsContact C-N 3.35Å; A292-A294 PolarHBondContact O-N 2.77Å; A292-Y295 PolarHBondContact O-N 2.84Å; A292-L296 WeakPolarHBondContact O-CG 3.3Å; A292-L296 PolarHBondContact O-N 2.87Å; A292-C307 PolarHBondContact N-SG 3.47Å; A292-L339 HydrophobicContact CB-CD1 3.85Å; A292-L339 HydrophobicContact CB-CD2 3.97Å; A292-L339 HydrophobicContact CB-CG 4.19Å; A292-L343 HydrophobicContact CB-CD1 3.76Å; A292-L343 HydrophobicContact CB-CD2 4.41Å; A292-V405 HydrophobicContact CB-CG1 3.88Å |
| 293 | K | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 6% | 0.057 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.2 | -175.2 | 60.1 | 172.3 | -172.2 | 0 | 111.7 | Q230 L233 S234 Y289 L290 Y295 L296 I297 V405 V407 | Q230-K293 HydrophobicContact CG-CB 4.08Å; Q230-K293 HydrophobicContact CG-CG 4.28Å; L233-K293 HydrophobicContact CB-CG 4.04Å; L233-K293 HydrophobicContact CD1-CG 4.49Å; S234-K293 VanDerWaalsContact OG-CE 3.27Å; S234-K293 WeakPolarHBondContact OG-CE 3.46Å; Y289-K293 PolarHBondContact O-N 3.5Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 2.94Å; L290-K293 VanDerWaalsContact O-N 3.15Å; K293-Y295 VanDerWaalsContact C-N 3.35Å; K293-Y295 PolarHBondContact O-N 2.94Å; K293-L296 PolarHBondContact O-N 3.43Å; K293-I297 HydrophobicContact CD-CD1 4.29Å; K293-I297 HydrophobicContact CG-CD1 4.08Å; K293-I297 WeakPolarHBondContact O-CD1 3.35Å; K293-I297 WeakPolarHBondContact O-CG1 3.09Å; K293-I297 PolarHBondContact O-N 2.99Å; K293-V405 HydrophobicContact CB-CG1 4.27Å; K293-V405 WeakPolarHBondContact CD-O 3.05Å; K293-V405 PolarHBondContact NZ-O 3.47Å; K293-V407 PolarHBondContact NZ-O 3.2Å |
| 294 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L233 W248 V251 L290 F291 A292 I297 N298 Y303 | L233-A294 HydrophobicContact CD1-CB 4.04Å; W248-A294 HydrophobicContact CH2-CB 3.99Å; W248-A294 HydrophobicContact CZ3-CB 3.8Å; V251-A294 HydrophobicContact CG1-CB 4.47Å; L290-A294 WeakPolarHBondContact O-CB 3.43Å; L290-A294 PolarHBondContact O-N 3.34Å; F291-A294 PolarHBondContact O-N 3.13Å; A292-A294 VanDerWaalsContact C-N 3.35Å; A292-A294 PolarHBondContact O-N 2.77Å; A294-I297 PolarHBondContact O-N 2.91Å; A294-N298 PolarHBondContact O-N 2.74Å; A294-Y303 HydrophobicContact CB-CD1 4.15Å; A294-Y303 HydrophobicContact CB-CD2 3.77Å; A294-Y303 HydrophobicContact CB-CE1 4.4Å; A294-Y303 HydrophobicContact CB-CE2 4Å; A294-Y303 HydrophobicContact CB-CG 3.89Å |
| 295 | Y | 98.6 | Very high | 98 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 19% | 0.188 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.7 | 176.6 | -113.2 | 0 | 0 | 0 | 111.7 | F291 A292 K293 I297 N298 K299 K300 L304 L343 | F291-Y295 WeakPolarHBondContact O-CB 3.44Å; F291-Y295 PolarHBondContact O-N 3.23Å; A292-Y295 PolarHBondContact O-N 2.84Å; K293-Y295 VanDerWaalsContact C-N 3.35Å; K293-Y295 PolarHBondContact O-N 2.94Å; Y295-I297 PolarHBondContact O-N 2.93Å; Y295-N298 PolarHBondContact O-N 2.75Å; Y295-K299 HydrophobicContact CE2-CD 4.49Å; Y295-K299 VanDerWaalsContact O-CA 3.25Å; Y295-K299 WeakPolarHBondContact O-CA 3.47Å; Y295-K299 WeakPolarHBondContact O-CD 3.46Å; Y295-K299 PolarHBondContact O-N 2.8Å; Y295-K300 WeakPolarHBondContact CD2-O 3.19Å; Y295-L304 HydrophobicContact CD1-CB 4.26Å; Y295-L304 HydrophobicContact CD1-CD1 4.39Å; Y295-L304 HydrophobicContact CD2-CB 3.76Å; Y295-L304 HydrophobicContact CE1-CB 4.32Å; Y295-L304 HydrophobicContact CE1-CD1 4.3Å; Y295-L304 HydrophobicContact CE1-CD2 4.12Å; Y295-L304 HydrophobicContact CE1-CG 4.49Å; Y295-L304 HydrophobicContact CE2-CB 3.85Å; Y295-L304 HydrophobicContact CE2-CD2 4.22Å; Y295-L304 HydrophobicContact CG-CB 3.98Å; Y295-L343 HydrophobicContact CD1-CD2 4.21Å |
| 296 | L | 98.1 | Very high | 98 | Very high | 49 Ų | 49 | 33.3 Ų | 33.3 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.9 | -33.8 | 179.3 | -73.2 | 176 | 0 | 0 | 0 | 112.9 | A292 K293 K299 L343 V405 F406 | A292-L296 WeakPolarHBondContact O-CG 3.3Å; A292-L296 PolarHBondContact O-N 2.87Å; K293-L296 PolarHBondContact O-N 3.43Å; L296-K299 WeakPolarHBondContact O-CE 3.49Å; L296-K299 PolarHBondContact O-NZ 3.3Å; L296-L343 HydrophobicContact CD1-CD2 4.47Å; L296-L343 HydrophobicContact CD2-CD2 3.88Å; L296-L343 HydrophobicContact CG-CD2 4.04Å; L296-V405 HydrophobicContact CD1-CG1 3.78Å; L296-F406 HydrophobicContact CD1-CD1 3.7Å; L296-F406 HydrophobicContact CD1-CE1 4.06Å; L296-F406 HydrophobicContact CD1-CG 4.36Å |
| 297 | I | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 28% | 0.277 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -82.2 | -49.6 | 179.7 | -58.6 | 157.1 | 0 | 0 | 0 | 111.2 | L233 Q236 W248 K293 A294 Y295 | L233-I297 HydrophobicContact CB-CD1 3.81Å; L233-I297 HydrophobicContact CD1-CD1 4.37Å; L233-I297 HydrophobicContact CD2-CD1 4.45Å; L233-I297 HydrophobicContact CG-CD1 4.45Å; Q236-I297 VanDerWaalsContact NE2-CG1 3.33Å; W248-I297 HydrophobicContact CH2-CD1 4.5Å; W248-I297 HydrophobicContact CZ2-CD1 4.46Å; W248-I297 HydrophobicContact CZ2-CG2 4.21Å; K293-I297 HydrophobicContact CD-CD1 4.29Å; K293-I297 HydrophobicContact CG-CD1 4.08Å; K293-I297 WeakPolarHBondContact O-CD1 3.35Å; K293-I297 WeakPolarHBondContact O-CG1 3.09Å; K293-I297 PolarHBondContact O-N 2.99Å; A294-I297 PolarHBondContact O-N 2.91Å; Y295-I297 PolarHBondContact O-N 2.93Å |
| 298 | N | 95.1 | Very high | 98 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -105.3 | -15.1 | -164 | -53 | 16.8 | 0 | 0 | 0 | 113.3 | W248 A294 Y295 K300 Y303 | W248-N298 WeakPolarHBondContact CH2-ND2 3.21Å; W248-N298 WeakPolarHBondContact CH2-OD1 3.45Å; W248-N298 VanDerWaalsContact CZ2-CG 3.45Å; W248-N298 WeakPolarHBondContact CZ2-ND2 3.49Å; W248-N298 WeakPolarHBondContact CZ2-OD1 3.03Å; W248-N298 WeakPolarHBondContact CZ3-ND2 3.34Å; A294-N298 PolarHBondContact O-N 2.74Å; Y295-N298 PolarHBondContact O-N 2.75Å; N298-K300 HydrophobicContact CB-CG 4.12Å; N298-K300 PolarHBondContact O-N 3.45Å; N298-Y303 HydrophobicContact CB-CE2 4.25Å |
| 299 | K | 96.4 | Very high | 98 | Very high | 115 Ų | 115 | 39.4 Ų | 39.4 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | trans | 54.2 | 20.5 | -176 | -52.9 | -66.1 | 171.2 | -170.2 | 0 | 114.8 | Y295 L296 P301 | Y295-K299 HydrophobicContact CE2-CD 4.49Å; Y295-K299 VanDerWaalsContact O-CA 3.25Å; Y295-K299 WeakPolarHBondContact O-CA 3.47Å; Y295-K299 WeakPolarHBondContact O-CD 3.46Å; Y295-K299 PolarHBondContact O-N 2.8Å; L296-K299 WeakPolarHBondContact O-CE 3.49Å; L296-K299 PolarHBondContact O-NZ 3.3Å; K299-P301 WeakPolarHBondContact O-CD 3.34Å | ||
| 300 | K | 96.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 39.2 Ų | 39.2 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | trans | -68.1 | 124.9 | 175.1 | -65.3 | -172.9 | -176.4 | 173.6 | 0 | 109.9 | Y295 N298 Q302 Y303 | Y295-K300 WeakPolarHBondContact CD2-O 3.19Å; N298-K300 HydrophobicContact CB-CG 4.12Å; N298-K300 PolarHBondContact O-N 3.45Å; K300-Q302 VanDerWaalsContact C-N 3.28Å; K300-Q302 HydrophobicContact CB-CG 4.16Å; K300-Q302 PolarHBondContact O-N 3.23Å; K300-Y303 HydrophobicContact CB-CD2 3.74Å; K300-Y303 HydrophobicContact CB-CE2 3.83Å; K300-Y303 HydrophobicContact CD-CE2 3.75Å; K300-Y303 HydrophobicContact CG-CD2 4.44Å; K300-Y303 HydrophobicContact CG-CE2 4.07Å; K300-Y303 PolarHBondContact O-N 3.31Å; K300-Y303 VanDerWaalsContact O-N 3.16Å | ||
| 301 | P | 97.2 | Very high | 97.9 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -55.9 | -38.8 | -175.9 | -28.7 | 35.5 | 0 | 0 | 0 | 114.2 | K299 Y303 L304 D305 | K299-P301 WeakPolarHBondContact O-CD 3.34Å; P301-Y303 PolarHBondContact O-N 3.44Å; P301-Y303 VanDerWaalsContact O-N 3.08Å; P301-L304 WeakPolarHBondContact O-CA 3.06Å; P301-L304 WeakPolarHBondContact O-CB 3.16Å; P301-L304 PolarHBondContact O-N 3.09Å; P301-D305 PolarHBondContact O-N 3.02Å |
| 302 | Q | 97.1 | Very high | 97.9 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53.5 | -33.3 | 179.8 | 67.8 | -166 | 52 | 0 | 0 | 114 | M255 K300 T306 | M255-Q302 HydrophobicContact CE-CG 4.17Å; M255-Q302 HydrophobicContact SD-CG 4.36Å; K300-Q302 VanDerWaalsContact C-N 3.28Å; K300-Q302 HydrophobicContact CB-CG 4.16Å; K300-Q302 PolarHBondContact O-N 3.23Å; Q302-T306 PolarHBondContact O-N 2.95Å; Q302-T306 PolarHBondContact O-OG1 3.22Å; Q302-T306 VanDerWaalsContact O-OG1 3.07Å |
| 303 | Y | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.8 | -42.5 | 177.8 | -62.7 | -41.7 | 0 | 0 | 0 | 111.1 | W248 V251 D252 M255 F291 A294 N298 K300 P301 T306 C307 | W248-Y303 HydrophobicContact CZ3-CE2 4.04Å; V251-Y303 HydrophobicContact CG1-CE1 4.06Å; D252-Y303 PolarHBondContact OD1-OH 3.47Å; M255-Y303 HydrophobicContact CE-CD1 3.26Å; M255-Y303 HydrophobicContact CE-CE1 3.49Å; M255-Y303 VanDerWaalsContact CE-CE1 3.49Å; M255-Y303 HydrophobicContact CE-CG 4.44Å; F291-Y303 AromaticContact CD1-CD1 3.67Å; F291-Y303 HydrophobicContact CD1-CD1 3.67Å; F291-Y303 HydrophobicContact CD1-CE1 4.25Å; F291-Y303 HydrophobicContact CE1-CD1 4.23Å; F291-Y303 HydrophobicContact CE1-CE1 4.44Å; A294-Y303 HydrophobicContact CB-CD1 4.15Å; A294-Y303 HydrophobicContact CB-CD2 3.77Å; A294-Y303 HydrophobicContact CB-CE1 4.4Å; A294-Y303 HydrophobicContact CB-CE2 4Å; A294-Y303 HydrophobicContact CB-CG 3.89Å; N298-Y303 HydrophobicContact CB-CE2 4.25Å; K300-Y303 HydrophobicContact CB-CD2 3.74Å; K300-Y303 HydrophobicContact CB-CE2 3.83Å; K300-Y303 HydrophobicContact CD-CE2 3.75Å; K300-Y303 HydrophobicContact CG-CD2 4.44Å; K300-Y303 HydrophobicContact CG-CE2 4.07Å; K300-Y303 PolarHBondContact O-N 3.31Å; K300-Y303 VanDerWaalsContact O-N 3.16Å; P301-Y303 PolarHBondContact O-N 3.44Å; P301-Y303 VanDerWaalsContact O-N 3.08Å; Y303-T306 PolarHBondContact O-N 2.87Å; Y303-C307 PolarHBondContact O-N 2.96Å; Y303-C307 PolarHBondContact O-SG 3.08Å; Y303-C307 VanDerWaalsContact O-SG 3.33Å |
| 304 | L | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 174.2 | 179.1 | 61.2 | 0 | 0 | 0 | 111.2 | Y295 P301 T306 C307 I308 L343 T344 | Y295-L304 HydrophobicContact CD1-CB 4.26Å; Y295-L304 HydrophobicContact CD1-CD1 4.39Å; Y295-L304 HydrophobicContact CD2-CB 3.76Å; Y295-L304 HydrophobicContact CE1-CB 4.32Å; Y295-L304 HydrophobicContact CE1-CD1 4.3Å; Y295-L304 HydrophobicContact CE1-CD2 4.12Å; Y295-L304 HydrophobicContact CE1-CG 4.49Å; Y295-L304 HydrophobicContact CE2-CB 3.85Å; Y295-L304 HydrophobicContact CE2-CD2 4.22Å; Y295-L304 HydrophobicContact CG-CB 3.98Å; P301-L304 WeakPolarHBondContact O-CA 3.06Å; P301-L304 WeakPolarHBondContact O-CB 3.16Å; P301-L304 PolarHBondContact O-N 3.09Å; L304-T306 PolarHBondContact O-N 3.16Å; L304-C307 WeakPolarHBondContact O-CB 3.24Å; L304-C307 PolarHBondContact O-N 2.68Å; L304-I308 HydrophobicContact CD1-CD1 4.4Å; L304-I308 HydrophobicContact CD1-CG1 4.42Å; L304-I308 HydrophobicContact CG-CD1 3.98Å; L304-I308 HydrophobicContact CG-CG1 4.44Å; L304-I308 WeakPolarHBondContact O-CG1 3.38Å; L304-I308 PolarHBondContact O-N 3.18Å; L304-L343 HydrophobicContact CD1-CB 4.38Å; L304-L343 HydrophobicContact CD1-CD1 4.36Å; L304-T344 HydrophobicContact CD1-CG2 4.01Å |
| 305 | D | 98.2 | Very high | 97.9 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -39.5 | 177.2 | -65.7 | -27.6 | 0 | 0 | 0 | 111.2 | P301 I308 R309 | P301-D305 PolarHBondContact O-N 3.02Å; D305-I308 PolarHBondContact O-N 3.35Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.39Å; D305-R309 PolarHBondContact O-NH1 3.05Å |
| 306 | T | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 173.2 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | W263 F291 Q302 Y303 L304 I308 R309 S310 | W263-T306 HydrophobicContact CH2-CG2 3.47Å; W263-T306 VanDerWaalsContact CH2-CG2 3.47Å; W263-T306 HydrophobicContact CZ2-CG2 4.08Å; W263-T306 HydrophobicContact CZ3-CG2 4.36Å; F291-T306 HydrophobicContact CB-CG2 4.27Å; F291-T306 HydrophobicContact CD2-CG2 3.27Å; F291-T306 HydrophobicContact CE2-CG2 3.68Å; F291-T306 HydrophobicContact CG-CG2 3.86Å; Q302-T306 PolarHBondContact O-N 2.95Å; Q302-T306 PolarHBondContact O-OG1 3.22Å; Q302-T306 VanDerWaalsContact O-OG1 3.07Å; Y303-T306 PolarHBondContact O-N 2.87Å; L304-T306 PolarHBondContact O-N 3.16Å; T306-I308 VanDerWaalsContact C-N 3.3Å; T306-I308 PolarHBondContact O-N 2.91Å; T306-R309 PolarHBondContact O-N 3.33Å; T306-R309 PolarHBondContact OG1-NH2 3.29Å; T306-S310 WeakPolarHBondContact O-CB 3.47Å; T306-S310 PolarHBondContact O-N 2.97Å; T306-S310 PolarHBondContact O-OG 3.47Å |
| 307 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.2 | -61 | 0 | 0 | 0 | 0 | 111 | A288 A292 Y303 L304 S310 G311 L340 L343 | A288-C307 PolarHBondContact O-SG 3.03Å; A292-C307 PolarHBondContact N-SG 3.47Å; Y303-C307 PolarHBondContact O-N 2.96Å; Y303-C307 PolarHBondContact O-SG 3.08Å; Y303-C307 VanDerWaalsContact O-SG 3.33Å; L304-C307 WeakPolarHBondContact O-CB 3.24Å; L304-C307 PolarHBondContact O-N 2.68Å; C307-S310 WeakPolarHBondContact O-CB 3.42Å; C307-S310 PolarHBondContact O-N 3.41Å; C307-G311 PolarHBondContact O-N 3.06Å; C307-L340 HydrophobicContact CB-CD2 3.75Å; C307-L343 HydrophobicContact CB-CD1 4.47Å |
| 308 | I | 98.7 | Very high | 97.8 | Very high | 48 Ų | 48 | 44 Ų | 44 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 179.1 | -68.1 | 170.4 | 0 | 0 | 0 | 110.5 | L304 D305 T306 S310 G311 E312 L340 | L304-I308 HydrophobicContact CD1-CD1 4.4Å; L304-I308 HydrophobicContact CD1-CG1 4.42Å; L304-I308 HydrophobicContact CG-CD1 3.98Å; L304-I308 HydrophobicContact CG-CG1 4.44Å; L304-I308 WeakPolarHBondContact O-CG1 3.38Å; L304-I308 PolarHBondContact O-N 3.18Å; D305-I308 PolarHBondContact O-N 3.35Å; T306-I308 VanDerWaalsContact C-N 3.3Å; T306-I308 PolarHBondContact O-N 2.91Å; I308-S310 VanDerWaalsContact C-N 3.28Å; I308-S310 PolarHBondContact O-N 3.41Å; I308-G311 CarbonylContact O-C 3.59Å; I308-G311 WeakPolarHBondContact O-CA 3.49Å; I308-G311 PolarHBondContact O-N 3.49Å; I308-E312 PolarHBondContact O-N 3.07Å; I308-L340 HydrophobicContact CG1-CD2 4.08Å |
| 309 | R | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.7 | -41.4 | 175.1 | -71.7 | -165.1 | -56.3 | -74.7 | -1.4 | 111.8 | E258 C261 D305 T306 G311 E312 L313 | E258-R309 IonicContact OE1-CZ 2.76Å; E258-R309 IonicContact OE1-NE 3.66Å; E258-R309 PolarHBondContact OE1-NE 2.89Å; E258-R309 IonicContact OE1-NH2 2.83Å; E258-R309 IonicContact OE2-CZ 3.09Å; E258-R309 IonicContact OE2-NE 2.71Å; E258-R309 PolarHBondContact OE2-NE 3.31Å; E258-R309 IonicContact OE2-NH2 3.3Å; E258-R309 PolarHBondContact OE2-NH2 3.32Å; C261-R309 HydrophobicContact CB-CB 4.25Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.39Å; D305-R309 PolarHBondContact O-NH1 3.05Å; T306-R309 PolarHBondContact O-N 3.33Å; T306-R309 PolarHBondContact OG1-NH2 3.29Å; R309-G311 VanDerWaalsContact C-N 3.31Å; R309-G311 PolarHBondContact O-N 2.92Å; R309-E312 PolarHBondContact O-N 3.25Å; R309-L313 PolarHBondContact O-N 3.17Å |
| 310 | S | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 174 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | T306 C307 I308 L313 V314 | T306-S310 WeakPolarHBondContact O-CB 3.47Å; T306-S310 PolarHBondContact O-N 2.97Å; T306-S310 PolarHBondContact O-OG 3.47Å; C307-S310 WeakPolarHBondContact O-CB 3.42Å; C307-S310 PolarHBondContact O-N 3.41Å; I308-S310 VanDerWaalsContact C-N 3.28Å; I308-S310 PolarHBondContact O-N 3.41Å; S310-L313 PolarHBondContact O-N 3.25Å; S310-V314 WeakPolarHBondContact O-CB 3.17Å; S310-V314 VanDerWaalsContact O-CG2 3.25Å; S310-V314 WeakPolarHBondContact O-CG2 3.49Å; S310-V314 PolarHBondContact O-N 2.91Å |
| 311 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C307 I308 R309 V314 W315 F337 | C307-G311 PolarHBondContact O-N 3.06Å; I308-G311 CarbonylContact O-C 3.59Å; I308-G311 WeakPolarHBondContact O-CA 3.49Å; I308-G311 PolarHBondContact O-N 3.49Å; R309-G311 VanDerWaalsContact C-N 3.31Å; R309-G311 PolarHBondContact O-N 2.92Å; G311-V314 PolarHBondContact O-N 3.18Å; G311-W315 WeakPolarHBondContact O-CB 3.38Å; G311-W315 PolarHBondContact O-N 3.38Å; G311-F337 VanDerWaalsContact O-CE1 3.31Å; G311-F337 WeakPolarHBondContact O-CE1 3.41Å |
| 312 | E | 98.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 174.8 | -62.7 | -53.1 | 144 | 0 | 0 | 111.7 | I308 R309 V314 W315 E316 K348 R352 | I308-E312 PolarHBondContact O-N 3.07Å; R309-E312 PolarHBondContact O-N 3.25Å; E312-V314 VanDerWaalsContact C-N 3.35Å; E312-V314 PolarHBondContact O-N 3.31Å; E312-W315 WeakPolarHBondContact O-CB 3.41Å; E312-W315 PolarHBondContact O-N 2.93Å; E312-E316 PolarHBondContact O-N 3.14Å; E312-E316 VanDerWaalsContact O-N 3.09Å; E312-K348 IonicContact OE1-NZ 2.89Å; E312-K348 PolarHBondContact OE1-NZ 2.99Å; E312-K348 IonicContact OE2-NZ 3.76Å; E312-R352 IonicContact OE1-CZ 3.63Å; E312-R352 IonicContact OE1-NH1 2.74Å; E312-R352 PolarHBondContact OE1-NH1 3.5Å; E312-R352 VanDerWaalsContact OE1-NH1 3.09Å; E312-R352 IonicContact OE1-NH2 3.49Å; E312-R352 IonicContact OE2-CZ 3.62Å; E312-R352 VanDerWaalsContact OE2-CZ 3.3Å; E312-R352 IonicContact OE2-NH1 3.21Å; E312-R352 PolarHBondContact OE2-NH1 3.26Å; E312-R352 IonicContact OE2-NH2 2.64Å; E312-R352 PolarHBondContact OE2-NH2 2.97Å |
| 313 | L | 98.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 173.3 | 178.2 | 65.6 | 0 | 0 | 0 | 111.9 | C261 N262 V278 A284 R309 S310 W315 E316 K317 | C261-L313 WeakPolarHBondContact O-CD2 3.22Å; N262-L313 HydrophobicContact CB-CD2 3.54Å; V278-L313 HydrophobicContact CG1-CD2 4.43Å; V278-L313 HydrophobicContact CG1-CG 4.29Å; V278-L313 HydrophobicContact CG2-CD2 4.37Å; V278-L313 HydrophobicContact CG2-CG 4.42Å; A284-L313 HydrophobicContact CB-CD2 3.84Å; R309-L313 PolarHBondContact O-N 3.17Å; S310-L313 PolarHBondContact O-N 3.25Å; L313-W315 VanDerWaalsContact C-N 3.3Å; L313-W315 PolarHBondContact O-N 3.43Å; L313-E316 PolarHBondContact O-N 3.25Å; L313-K317 HydrophobicContact CD1-CD 3.85Å; L313-K317 HydrophobicContact CD1-CG 4.43Å; L313-K317 PolarHBondContact O-N 3.1Å |
| 314 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | V278 P285 S310 G311 E312 E316 K317 G318 S333 V336 F337 F356 | V278-V314 HydrophobicContact CG1-CG2 4.25Å; P285-V314 HydrophobicContact CB-CG2 4.27Å; P285-V314 HydrophobicContact CG-CG2 3.72Å; S310-V314 WeakPolarHBondContact O-CB 3.17Å; S310-V314 VanDerWaalsContact O-CG2 3.25Å; S310-V314 WeakPolarHBondContact O-CG2 3.49Å; S310-V314 PolarHBondContact O-N 2.91Å; G311-V314 PolarHBondContact O-N 3.18Å; E312-V314 VanDerWaalsContact C-N 3.35Å; E312-V314 PolarHBondContact O-N 3.31Å; V314-E316 VanDerWaalsContact C-N 3.29Å; V314-E316 PolarHBondContact O-N 3.29Å; V314-K317 PolarHBondContact O-N 3.4Å; V314-G318 WeakPolarHBondContact O-CA 3.49Å; V314-G318 PolarHBondContact O-N 3Å; V314-S333 WeakPolarHBondContact CG1-O 3.42Å; V314-V336 HydrophobicContact CG2-CB 4.27Å; V314-V336 HydrophobicContact CG2-CG1 4.29Å; V314-V336 HydrophobicContact CG2-CG2 4.12Å; V314-F337 HydrophobicContact CB-CE1 4.46Å; V314-F337 HydrophobicContact CB-CZ 4.17Å; V314-F337 HydrophobicContact CG1-CE1 4.19Å; V314-F337 HydrophobicContact CG1-CE2 3.8Å; V314-F337 HydrophobicContact CG1-CZ 3.56Å; V314-F356 HydrophobicContact CG1-CE1 4.09Å; V314-F356 HydrophobicContact CG1-CZ 4.33Å; V314-F356 VanDerWaalsContact O-CZ 3.31Å; V314-F356 WeakPolarHBondContact O-CZ 3.31Å |
| 315 | W | 98.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 11% | 0.106 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.8 | -179.7 | -111.8 | 0 | 0 | 0 | 111.9 | N9 F11 D13 G311 E312 L313 F337 Y351 R352 R355 F356 | N9-W315 WeakPolarHBondContact CB-O 3.38Å; N9-W315 VanDerWaalsContact ND2-CD2 3.29Å; N9-W315 VanDerWaalsContact ND2-CE2 3.28Å; N9-W315 WeakPolarHBondContact ND2-CZ2 3.4Å; N9-W315 PolarHBondContact ND2-O 2.83Å; F11-W315 HydrophobicContact CB-CH2 3.93Å; F11-W315 HydrophobicContact CB-CZ2 4.29Å; D13-W315 HydrophobicContact CB-CZ2 4.19Å; G311-W315 WeakPolarHBondContact O-CB 3.38Å; G311-W315 PolarHBondContact O-N 3.38Å; E312-W315 WeakPolarHBondContact O-CB 3.41Å; E312-W315 PolarHBondContact O-N 2.93Å; L313-W315 VanDerWaalsContact C-N 3.3Å; L313-W315 PolarHBondContact O-N 3.43Å; W315-F337 HydrophobicContact CB-CE1 4.19Å; W315-F337 HydrophobicContact CB-CZ 3.94Å; W315-F337 HydrophobicContact CE3-CE2 4.4Å; W315-F337 AromaticContact CE3-CZ 3.98Å; W315-F337 HydrophobicContact CE3-CZ 3.98Å; W315-Y351 HydrophobicContact CH2-CE1 4.39Å; W315-R352 HydrophobicContact CD2-CG 3.9Å; W315-R352 HydrophobicContact CE3-CB 3.68Å; W315-R352 VanDerWaalsContact CE3-CD 3.46Å; W315-R352 HydrophobicContact CE3-CG 3.38Å; W315-R352 HydrophobicContact CH2-CG 4.11Å; W315-R352 HydrophobicContact CZ3-CB 3.71Å; W315-R352 HydrophobicContact CZ3-CG 3.51Å; W315-R355 HydrophobicContact CH2-CB 4.1Å; W315-R355 HydrophobicContact CH2-CG 4.07Å; W315-R355 HydrophobicContact CZ3-CB 4Å; W315-R355 HydrophobicContact CZ3-CG 4.4Å; W315-F356 HydrophobicContact CE3-CD2 4.35Å; W315-F356 AromaticContact CE3-CE2 3.66Å; W315-F356 HydrophobicContact CE3-CE2 3.66Å; W315-F356 HydrophobicContact CZ3-CD2 4.16Å; W315-F356 AromaticContact CZ3-CE2 3.84Å; W315-F356 HydrophobicContact CZ3-CE2 3.84Å |
| 316 | E | 97.6 | Very high | 96.9 | Very high | 121 Ų | 121 | 25.6 Ų | 25.6 | 57% | 0.565 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -72.2 | -43.6 | 178.9 | -168.1 | -171.6 | 148.7 | 0 | 0 | 112.8 | E312 L313 V314 | E312-E316 PolarHBondContact O-N 3.14Å; E312-E316 VanDerWaalsContact O-N 3.09Å; L313-E316 PolarHBondContact O-N 3.25Å; V314-E316 VanDerWaalsContact C-N 3.29Å; V314-E316 PolarHBondContact O-N 3.29Å |
| 317 | K | 97.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -126.6 | 0.2 | -164.1 | -61.3 | -178.2 | -172.7 | 166.5 | 0 | 115.5 | C6 E276 V278 L313 V314 L319 L320 | C6-K317 WeakPolarHBondContact CB-O 3.34Å; E276-K317 IonicContact OE1-NZ 2.95Å; E276-K317 WeakPolarHBondContact OE2-CD 3.47Å; E276-K317 IonicContact OE2-NZ 3.64Å; E276-K317 PolarHBondContact OE2-NZ 2.95Å; V278-K317 HydrophobicContact CG2-CB 4.11Å; L313-K317 HydrophobicContact CD1-CD 3.85Å; L313-K317 HydrophobicContact CD1-CG 4.43Å; L313-K317 PolarHBondContact O-N 3.1Å; V314-K317 PolarHBondContact O-N 3.4Å; K317-L319 VanDerWaalsContact C-N 3.33Å; K317-L319 PolarHBondContact O-N 3.29Å; K317-L320 WeakPolarHBondContact O-CD2 3.38Å |
| 318 | G | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -80.6 | -4.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V314 L320 S333 F356 | V314-G318 WeakPolarHBondContact O-CA 3.49Å; V314-G318 PolarHBondContact O-N 3Å; G318-L320 PolarHBondContact O-N 3.25Å; G318-S333 VanDerWaalsContact O-CB 3.25Å; G318-S333 WeakPolarHBondContact O-CB 3.03Å; G318-S333 PolarHBondContact O-OG 2.92Å; G318-F356 VanDerWaalsContact C-CE1 3.46Å; G318-F356 WeakPolarHBondContact O-CE1 3.5Å | ||
| 319 | L | 97.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -77.4 | 77 | 169.4 | -59.6 | -174.8 | 0 | 0 | 0 | 109 | C6 F7 N9 F11 K317 V330 F356 F359 | C6-L319 CarbonylContact C-O 3.46Å; C6-L319 VanDerWaalsContact CA-O 3.24Å; C6-L319 WeakPolarHBondContact CA-O 3.28Å; C6-L319 VanDerWaalsContact CB-O 3.29Å; C6-L319 WeakPolarHBondContact CB-O 3.44Å; F7-L319 HydrophobicContact CB-CB 4.12Å; F7-L319 VanDerWaalsContact CD2-O 3.31Å; F7-L319 WeakPolarHBondContact CD2-O 3.4Å; F7-L319 PolarHBondContact N-O 2.91Å; N9-L319 HydrophobicContact CB-CD1 3.91Å; F11-L319 HydrophobicContact CE2-CD1 4.37Å; K317-L319 VanDerWaalsContact C-N 3.33Å; K317-L319 PolarHBondContact O-N 3.29Å; L319-V330 HydrophobicContact CD2-CG1 4.14Å; L319-F356 HydrophobicContact CD2-CD1 3.8Å; L319-F356 HydrophobicContact CD2-CD2 3.73Å; L319-F356 HydrophobicContact CD2-CE1 3.7Å; L319-F356 HydrophobicContact CD2-CE2 3.61Å; L319-F356 HydrophobicContact CD2-CG 3.81Å; L319-F356 HydrophobicContact CD2-CZ 3.58Å; L319-F356 HydrophobicContact CG-CE1 4.4Å; L319-F356 HydrophobicContact CG-CE2 4.22Å; L319-F356 HydrophobicContact CG-CZ 4.01Å; L319-F359 HydrophobicContact CB-CD1 4.21Å; L319-F359 HydrophobicContact CB-CE1 3.89Å; L319-F359 HydrophobicContact CB-CZ 4.31Å; L319-F359 HydrophobicContact CD1-CD1 4.32Å; L319-F359 HydrophobicContact CD1-CD2 4.06Å; L319-F359 HydrophobicContact CD1-CE1 4.39Å; L319-F359 HydrophobicContact CD1-CE2 4.17Å; L319-F359 HydrophobicContact CD1-CG 4.14Å; L319-F359 HydrophobicContact CD1-CZ 4.34Å; L319-F359 HydrophobicContact CD2-CB 4.08Å; L319-F359 HydrophobicContact CD2-CD1 3.66Å; L319-F359 HydrophobicContact CD2-CE1 4.23Å; L319-F359 HydrophobicContact CD2-CG 3.84Å; L319-F359 HydrophobicContact CG-CD1 4.27Å; L319-F359 HydrophobicContact CG-CE1 4.39Å; L319-F359 HydrophobicContact CG-CG 4.49Å |
| 320 | L | 95.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 137 | -169.2 | -57.9 | 172.7 | 0 | 0 | 0 | 112.8 | C6 H279 K317 G318 K322 H328 | C6-L320 HydrophobicContact CB-CD2 4.47Å; H279-L320 VanDerWaalsContact CD2-CD1 3.47Å; H279-L320 WeakPolarHBondContact CD2-CD1 3.35Å; K317-L320 WeakPolarHBondContact O-CD2 3.38Å; G318-L320 PolarHBondContact O-N 3.25Å; L320-K322 PolarHBondContact O-N 3.26Å; L320-H328 VanDerWaalsContact CD1-C 3.45Å; L320-H328 WeakPolarHBondContact CD1-O 3.33Å |
| 321 | K | 93.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 20.3 Ų | 20.3 | 20% | 0.2 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.9 | 172.5 | -74.3 | 173.9 | 171.9 | 174.5 | 0 | 113.1 | N3 T4 R5 C6 F7 G323 S369 L370 | N3-K321 PolarHBondContact O-NZ 3.25Å; T4-K321 WeakPolarHBondContact O-CD 3.49Å; R5-K321 PolarHBondContact O-N 3.18Å; C6-K321 WeakPolarHBondContact O-CE 3.31Å; F7-K321 HydrophobicContact CD1-CG 4.28Å; F7-K321 HydrophobicContact CD2-CG 3.75Å; F7-K321 HydrophobicContact CE1-CG 4.14Å; F7-K321 HydrophobicContact CE2-CB 4.17Å; F7-K321 HydrophobicContact CE2-CG 3.59Å; F7-K321 HydrophobicContact CG-CG 4.1Å; F7-K321 HydrophobicContact CZ-CG 3.8Å; K321-G323 PolarHBondContact O-N 3.21Å; K321-S369 WeakPolarHBondContact O-CA 3.37Å; K321-L370 PolarHBondContact O-N 3.31Å |
| 322 | K | 91.6 | Very high | 96.5 | Very high | 82 Ų | 82 | 20.3 Ų | 20.3 | 36% | 0.357 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -30 | -175.8 | -167.6 | 166.9 | -178.7 | -157.2 | 0 | 113.3 | L320 H328 V372 | L320-K322 PolarHBondContact O-N 3.26Å; K322-H328 HydrophobicContact CD-CB 4.13Å; K322-H328 WeakPolarHBondContact CD-CD2 3.48Å; K322-H328 WeakPolarHBondContact CE-CD2 3.34Å; K322-H328 WeakPolarHBondContact CE-NE2 3.46Å; K322-H328 PolarHBondContact NZ-CD2 3.48Å; K322-H328 PolarHBondContact NZ-CE1 3.11Å; K322-H328 VanDerWaalsContact NZ-CG 3.27Å; K322-H328 PolarHBondContact NZ-ND1 3.29Å; K322-H328 PolarHBondContact NZ-NE2 2.97Å; K322-V372 VanDerWaalsContact O-CG2 3.26Å; K322-V372 WeakPolarHBondContact O-CG2 3.47Å |
| 323 | G | 92.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | trans | 150.3 | -172.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K321 G329 V330 | K321-G323 PolarHBondContact O-N 3.21Å; G323-G329 CarbonylContact O-C 3.54Å; G323-G329 WeakPolarHBondContact O-CA 3.48Å; G323-V330 PolarHBondContact O-N 3.23Å | ||
| 324 | P | 94.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -91.6 | -8.6 | -172.3 | 36.6 | -36.6 | 0 | 0 | 0 | 113.6 | A331 I360 F365 L382 T385 | P324-A331 WeakPolarHBondContact O-CB 3.4Å; P324-A331 PolarHBondContact O-N 3.38Å; P324-I360 HydrophobicContact CB-CG2 4.22Å; P324-F365 HydrophobicContact CB-CE1 3.99Å; P324-F365 HydrophobicContact CB-CZ 3.77Å; P324-F365 HydrophobicContact CG-CZ 4.41Å; P324-L382 HydrophobicContact CG-CD2 4.06Å; P324-T385 WeakPolarHBondContact CB-OG1 3.42Å; P324-T385 PolarHBondContact O-OG1 3.33Å |
| 325 | G | 95.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -66.8 | -176.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G329 G332 E380 | G325-G329 CarbonylContact O-C 3.51Å; G325-G329 WeakPolarHBondContact O-CA 3.38Å; G325-G329 PolarHBondContact O-N 3.14Å; G325-G332 PolarHBondContact O-N 2.9Å; G325-G332 VanDerWaalsContact O-N 3.15Å; G325-E380 WeakPolarHBondContact CA-O 3.44Å |
| 326 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -101.7 | -21.4 | -173.2 | 62.1 | 175.4 | 0 | 0 | 0 | 114.4 | A331 G332 Y335 L378 F379 G384 F400 P401 | I326-A331 HydrophobicContact CG2-CB 3.92Å; I326-G332 WeakPolarHBondContact O-CA 3.33Å; I326-Y335 HydrophobicContact CG2-CD2 4.22Å; I326-Y335 HydrophobicContact CG2-CE2 3.82Å; I326-L378 HydrophobicContact CD1-CD1 4.4Å; I326-L378 HydrophobicContact CD1-CG 4.27Å; I326-L378 WeakPolarHBondContact CG1-O 3.44Å; I326-F379 HydrophobicContact CD1-CD1 4.34Å; I326-F379 HydrophobicContact CD1-CE1 4.45Å; I326-F379 HydrophobicContact CD1-CG 4.39Å; I326-F379 HydrophobicContact CG1-CB 4.5Å; I326-F379 HydrophobicContact CG1-CD1 4.2Å; I326-F379 HydrophobicContact CG1-CG 4.31Å; I326-F379 PolarHBondContact N-O 3.32Å; I326-G384 WeakPolarHBondContact CG2-O 3.39Å; I326-F400 HydrophobicContact CB-CE2 4Å; I326-F400 HydrophobicContact CB-CZ 3.89Å; I326-F400 HydrophobicContact CD1-CE1 4.19Å; I326-F400 HydrophobicContact CD1-CZ 4.09Å; I326-F400 HydrophobicContact CG1-CZ 4.03Å; I326-F400 WeakPolarHBondContact O-CE2 3.35Å; I326-F400 WeakPolarHBondContact O-CZ 3.34Å; I326-P401 HydrophobicContact CD1-CB 3.93Å; I326-P401 HydrophobicContact CD1-CG 3.8Å |
| 327 | C | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.007 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -71.2 | -43.1 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | Y54 W280 C281 F379 | Y54-C327 HydrophobicContact CE2-CB 4.11Å; Y54-C327 PolarHBondContact OH-SG 3.39Å; W280-C327 WeakPolarHBondContact CB-O 3.49Å; W280-C327 HydrophobicContact CE3-CB 4.4Å; W280-C327 PolarHBondContact N-O 3.35Å; C281-C327 PolarHBondContact N-O 3.36Å; C281-C327 VanDerWaalsContact N-O 3.12Å; C327-F379 HydrophobicContact CB-CB 4.09Å; C327-F379 HydrophobicContact CB-CD1 4.11Å; C327-F379 WeakPolarHBondContact CB-O 3.41Å; C327-F379 PolarHBondContact N-O 3.08Å |
| 328 | H | 96.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 8 Ų | 8 | 8% | 0.083 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -158.8 | 41 | -173.5 | 45.8 | -110.7 | 0 | 0 | 0 | 110.8 | Y54 H279 L320 K322 E380 | Y54-H328 PolarHBondContact OH-CE1 3.46Å; H279-H328 HydrophobicContact CB-CB 3.69Å; H279-H328 VanDerWaalsContact CG-CB 3.42Å; L320-H328 VanDerWaalsContact CD1-C 3.45Å; L320-H328 WeakPolarHBondContact CD1-O 3.33Å; K322-H328 HydrophobicContact CD-CB 4.13Å; K322-H328 WeakPolarHBondContact CD-CD2 3.48Å; K322-H328 WeakPolarHBondContact CE-CD2 3.34Å; K322-H328 WeakPolarHBondContact CE-NE2 3.46Å; K322-H328 PolarHBondContact NZ-CD2 3.48Å; K322-H328 PolarHBondContact NZ-CE1 3.11Å; K322-H328 VanDerWaalsContact NZ-CG 3.27Å; K322-H328 PolarHBondContact NZ-ND1 3.29Å; K322-H328 PolarHBondContact NZ-NE2 2.97Å; H328-E380 IonicContact CE1-OE1 2.69Å; H328-E380 PolarHBondContact CE1-OE1 3.36Å; H328-E380 VanDerWaalsContact CE1-OE1 3.3Å; H328-E380 IonicContact NE2-OE1 3.65Å |
| 329 | G | 96.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -131.6 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G323 G325 A331 G332 S333 | G323-G329 CarbonylContact O-C 3.54Å; G323-G329 WeakPolarHBondContact O-CA 3.48Å; G325-G329 CarbonylContact O-C 3.51Å; G325-G329 WeakPolarHBondContact O-CA 3.38Å; G325-G329 PolarHBondContact O-N 3.14Å; G329-A331 VanDerWaalsContact C-N 3.31Å; G329-A331 PolarHBondContact O-N 3.34Å; G329-G332 PolarHBondContact O-N 3.42Å; G329-G332 VanDerWaalsContact O-N 3.16Å; G329-S333 PolarHBondContact O-N 3.43Å; G329-S333 VanDerWaalsContact O-N 3.08Å; G329-S333 PolarHBondContact O-OG 2.94Å |
| 330 | V | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | -174.4 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | L319 G323 S333 A334 F356 F359 I360 F365 | L319-V330 HydrophobicContact CD2-CG1 4.14Å; G323-V330 PolarHBondContact O-N 3.23Å; V330-S333 WeakPolarHBondContact O-CB 3.33Å; V330-S333 PolarHBondContact O-N 3.44Å; V330-A334 WeakPolarHBondContact O-CB 3.17Å; V330-A334 PolarHBondContact O-N 3.28Å; V330-F356 HydrophobicContact CG1-CB 4.11Å; V330-F356 HydrophobicContact CG1-CD1 3.8Å; V330-F356 HydrophobicContact CG1-CG 4.27Å; V330-F359 HydrophobicContact CG1-CD1 4.22Å; V330-F359 HydrophobicContact CG2-CD1 4.19Å; V330-F359 HydrophobicContact CG2-CE1 4.3Å; V330-I360 HydrophobicContact CB-CD1 4.03Å; V330-I360 HydrophobicContact CB-CG1 3.8Å; V330-I360 HydrophobicContact CG1-CD1 3.92Å; V330-I360 HydrophobicContact CG1-CG1 3.65Å; V330-F365 HydrophobicContact CG2-CD2 4.22Å; V330-F365 HydrophobicContact CG2-CE2 3.66Å; V330-F365 HydrophobicContact CG2-CZ 4.41Å |
| 331 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P324 I326 G329 S333 A334 Y335 I360 F388 | P324-A331 WeakPolarHBondContact O-CB 3.4Å; P324-A331 PolarHBondContact O-N 3.38Å; I326-A331 HydrophobicContact CG2-CB 3.92Å; G329-A331 VanDerWaalsContact C-N 3.31Å; G329-A331 PolarHBondContact O-N 3.34Å; A331-S333 PolarHBondContact O-N 3.19Å; A331-A334 WeakPolarHBondContact O-CB 3.13Å; A331-A334 PolarHBondContact O-N 3.17Å; A331-A334 VanDerWaalsContact O-N 3.14Å; A331-Y335 VanDerWaalsContact O-CD2 3.27Å; A331-Y335 WeakPolarHBondContact O-CD2 3.45Å; A331-Y335 PolarHBondContact O-N 3.26Å; A331-Y335 VanDerWaalsContact O-N 3.11Å; A331-I360 HydrophobicContact CB-CD1 4.32Å; A331-F388 HydrophobicContact CB-CB 3.85Å; A331-F388 HydrophobicContact CB-CD1 3.86Å; A331-F388 HydrophobicContact CB-CG 3.96Å |
| 332 | G | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G325 I326 G329 A334 Y335 | G325-G332 PolarHBondContact O-N 2.9Å; G325-G332 VanDerWaalsContact O-N 3.15Å; I326-G332 WeakPolarHBondContact O-CA 3.33Å; G329-G332 PolarHBondContact O-N 3.42Å; G329-G332 VanDerWaalsContact O-N 3.16Å; G332-A334 VanDerWaalsContact C-N 3.32Å; G332-A334 PolarHBondContact O-N 3.41Å; G332-Y335 PolarHBondContact O-N 3.39Å |
| 333 | S | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.014 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | 170.7 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | V314 G318 G329 V330 A331 Y335 V336 | V314-S333 WeakPolarHBondContact CG1-O 3.42Å; G318-S333 VanDerWaalsContact O-CB 3.25Å; G318-S333 WeakPolarHBondContact O-CB 3.03Å; G318-S333 PolarHBondContact O-OG 2.92Å; G329-S333 PolarHBondContact O-N 3.43Å; G329-S333 VanDerWaalsContact O-N 3.08Å; G329-S333 PolarHBondContact O-OG 2.94Å; V330-S333 WeakPolarHBondContact O-CB 3.33Å; V330-S333 PolarHBondContact O-N 3.44Å; A331-S333 PolarHBondContact O-N 3.19Å; S333-Y335 VanDerWaalsContact C-N 3.28Å; S333-Y335 PolarHBondContact O-N 3.46Å; S333-V336 WeakPolarHBondContact O-CB 3.37Å; S333-V336 WeakPolarHBondContact O-CG2 3.43Å; S333-V336 PolarHBondContact O-N 3.16Å; S333-V336 VanDerWaalsContact O-N 3.08Å |
| 334 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.5 | -29.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V330 A331 G332 V336 F337 L338 F356 F388 | V330-A334 WeakPolarHBondContact O-CB 3.17Å; V330-A334 PolarHBondContact O-N 3.28Å; A331-A334 WeakPolarHBondContact O-CB 3.13Å; A331-A334 PolarHBondContact O-N 3.17Å; A331-A334 VanDerWaalsContact O-N 3.14Å; G332-A334 VanDerWaalsContact C-N 3.32Å; G332-A334 PolarHBondContact O-N 3.41Å; A334-V336 PolarHBondContact O-N 3.15Å; A334-F337 WeakPolarHBondContact O-CB 3.25Å; A334-F337 PolarHBondContact O-N 3.33Å; A334-L338 PolarHBondContact O-N 3.44Å; A334-F356 HydrophobicContact CB-CB 3.64Å; A334-F356 HydrophobicContact CB-CD1 3.98Å; A334-F356 HydrophobicContact CB-CG 4.14Å; A334-F388 HydrophobicContact CB-CD2 4.11Å; A334-F388 HydrophobicContact CB-CE1 4.01Å; A334-F388 HydrophobicContact CB-CE2 3.37Å; A334-F388 HydrophobicContact CB-CZ 3.31Å |
| 335 | Y | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.2 | -25.3 | 173.6 | -88 | -76.4 | 0 | 0 | 0 | 113.5 | Y289 I326 A331 G332 S333 F337 L338 L339 C387 F388 D391 F400 P401 | Y289-Y335 VanDerWaalsContact OH-CB 3.27Å; Y289-Y335 WeakPolarHBondContact OH-CB 3.1Å; I326-Y335 HydrophobicContact CG2-CD2 4.22Å; I326-Y335 HydrophobicContact CG2-CE2 3.82Å; A331-Y335 VanDerWaalsContact O-CD2 3.27Å; A331-Y335 WeakPolarHBondContact O-CD2 3.45Å; A331-Y335 PolarHBondContact O-N 3.26Å; A331-Y335 VanDerWaalsContact O-N 3.11Å; G332-Y335 PolarHBondContact O-N 3.39Å; S333-Y335 VanDerWaalsContact C-N 3.28Å; S333-Y335 PolarHBondContact O-N 3.46Å; Y335-F337 PolarHBondContact O-N 3.42Å; Y335-L338 HydrophobicContact CD1-CD1 4.01Å; Y335-L338 HydrophobicContact CE1-CD1 4.22Å; Y335-L338 PolarHBondContact O-N 3.03Å; Y335-L339 WeakPolarHBondContact O-CB 3.37Å; Y335-L339 PolarHBondContact O-N 3Å; Y335-C387 PolarHBondContact OH-O 3.42Å; Y335-F388 HydrophobicContact CD2-CB 4.31Å; Y335-F388 HydrophobicContact CD2-CD2 4.25Å; Y335-F388 HydrophobicContact CE2-CB 3.57Å; Y335-F388 HydrophobicContact CE2-CD2 4.19Å; Y335-F388 HydrophobicContact CE2-CG 4.31Å; Y335-F388 VanDerWaalsContact OH-CA 3.23Å; Y335-F388 WeakPolarHBondContact OH-CA 3.15Å; Y335-F388 PolarHBondContact OH-N 3.08Å; Y335-D391 HydrophobicContact CE1-CB 4.15Å; Y335-D391 WeakPolarHBondContact CE1-OD2 3.29Å; Y335-F400 HydrophobicContact CD1-CB 4.39Å; Y335-F400 AromaticContact CD2-CD2 3.91Å; Y335-F400 HydrophobicContact CD2-CD2 3.91Å; Y335-F400 HydrophobicContact CD2-CE2 4.32Å; Y335-F400 AromaticContact CG-CD2 3.88Å; Y335-F400 HydrophobicContact CG-CD2 3.88Å; Y335-P401 HydrophobicContact CE2-CG 4.43Å; Y335-P401 VanDerWaalsContact CZ-CD 3.47Å; Y335-P401 WeakPolarHBondContact OH-CD 3.36Å |
| 336 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.6 | -35.5 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 111 | P285 V314 S333 A334 L340 | P285-V336 HydrophobicContact CB-CG2 3.73Å; V314-V336 HydrophobicContact CG2-CB 4.27Å; V314-V336 HydrophobicContact CG2-CG1 4.29Å; V314-V336 HydrophobicContact CG2-CG2 4.12Å; S333-V336 WeakPolarHBondContact O-CB 3.37Å; S333-V336 WeakPolarHBondContact O-CG2 3.43Å; S333-V336 PolarHBondContact O-N 3.16Å; S333-V336 VanDerWaalsContact O-N 3.08Å; A334-V336 PolarHBondContact O-N 3.15Å; V336-L340 HydrophobicContact CG1-CD1 4.19Å; V336-L340 WeakPolarHBondContact O-CB 2.77Å; V336-L340 WeakPolarHBondContact O-CG 3.34Å; V336-L340 PolarHBondContact O-N 2.99Å |
| 337 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.8 | -38.7 | 175.1 | -57.5 | -52.1 | 0 | 0 | 0 | 112.3 | G311 V314 W315 A334 Y335 L339 L340 Y341 Y349 R352 A353 F356 | G311-F337 VanDerWaalsContact O-CE1 3.31Å; G311-F337 WeakPolarHBondContact O-CE1 3.41Å; V314-F337 HydrophobicContact CB-CE1 4.46Å; V314-F337 HydrophobicContact CB-CZ 4.17Å; V314-F337 HydrophobicContact CG1-CE1 4.19Å; V314-F337 HydrophobicContact CG1-CE2 3.8Å; V314-F337 HydrophobicContact CG1-CZ 3.56Å; W315-F337 HydrophobicContact CB-CE1 4.19Å; W315-F337 HydrophobicContact CB-CZ 3.94Å; W315-F337 HydrophobicContact CE3-CE2 4.4Å; W315-F337 AromaticContact CE3-CZ 3.98Å; W315-F337 HydrophobicContact CE3-CZ 3.98Å; A334-F337 WeakPolarHBondContact O-CB 3.25Å; A334-F337 PolarHBondContact O-N 3.33Å; Y335-F337 PolarHBondContact O-N 3.42Å; F337-L339 VanDerWaalsContact C-N 3.34Å; F337-L340 PolarHBondContact O-N 3.09Å; F337-Y341 WeakPolarHBondContact O-CB 3.11Å; F337-Y341 PolarHBondContact O-N 2.84Å; F337-Y349 WeakPolarHBondContact CB-O 3.36Å; F337-Y349 HydrophobicContact CD1-CD1 4.16Å; F337-Y349 VanDerWaalsContact O-CB 3.28Å; F337-Y349 WeakPolarHBondContact O-CB 3.41Å; F337-R352 HydrophobicContact CB-CB 4.49Å; F337-R352 HydrophobicContact CD1-CB 3.84Å; F337-R352 HydrophobicContact CD2-CB 3.76Å; F337-R352 HydrophobicContact CE1-CB 3.89Å; F337-R352 HydrophobicContact CE1-CG 4.39Å; F337-R352 HydrophobicContact CE2-CB 3.82Å; F337-R352 HydrophobicContact CG-CB 3.78Å; F337-R352 HydrophobicContact CZ-CB 3.88Å; F337-A353 HydrophobicContact CB-CB 4.02Å; F337-F356 HydrophobicContact CE2-CD1 4.1Å; F337-F356 AromaticContact CE2-CD2 3.79Å; F337-F356 HydrophobicContact CE2-CD2 3.79Å; F337-F356 AromaticContact CE2-CE1 3.95Å; F337-F356 HydrophobicContact CE2-CE1 3.95Å; F337-F356 AromaticContact CE2-CE2 3.65Å; F337-F356 HydrophobicContact CE2-CE2 3.65Å; F337-F356 HydrophobicContact CE2-CG 4.04Å; F337-F356 AromaticContact CE2-CZ 3.75Å; F337-F356 HydrophobicContact CE2-CZ 3.75Å; F337-F356 HydrophobicContact CZ-CE2 4.12Å; F337-F356 HydrophobicContact CZ-CZ 4.11Å |
| 338 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 174 | -66.7 | -177.4 | 0 | 0 | 0 | 111.4 | A334 Y335 L340 Y341 R342 L350 A353 F388 D391 L392 P395 | A334-L338 PolarHBondContact O-N 3.44Å; Y335-L338 HydrophobicContact CD1-CD1 4.01Å; Y335-L338 HydrophobicContact CE1-CD1 4.22Å; Y335-L338 PolarHBondContact O-N 3.03Å; L338-L340 PolarHBondContact O-N 3.29Å; L338-Y341 PolarHBondContact O-N 3.3Å; L338-R342 WeakPolarHBondContact O-CG 3.03Å; L338-R342 PolarHBondContact O-N 2.96Å; L338-L350 HydrophobicContact CD2-CD1 4.37Å; L338-A353 HydrophobicContact CD2-CB 3.87Å; L338-A353 HydrophobicContact CG-CB 4.18Å; L338-F388 HydrophobicContact CD1-CD2 3.95Å; L338-F388 HydrophobicContact CD1-CE2 3.91Å; L338-F388 HydrophobicContact CG-CE2 4.47Å; L338-D391 HydrophobicContact CD1-CB 4.19Å; L338-L392 HydrophobicContact CD2-CD1 4.05Å; L338-P395 HydrophobicContact CD2-CB 4.34Å |
| 339 | L | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.4 | -50.8 | 171.3 | 177.4 | 67.1 | 0 | 0 | 0 | 111.3 | A288 Y289 A292 Y335 F337 Y341 R342 L343 V405 F406 | A288-L339 HydrophobicContact CB-CD2 4.42Å; Y289-L339 HydrophobicContact CD1-CD2 4.11Å; Y289-L339 HydrophobicContact CD2-CD2 4.18Å; Y289-L339 HydrophobicContact CE1-CD2 4.14Å; Y289-L339 HydrophobicContact CE2-CD2 4.23Å; Y289-L339 HydrophobicContact CG-CD2 4.11Å; A292-L339 HydrophobicContact CB-CD1 3.85Å; A292-L339 HydrophobicContact CB-CD2 3.97Å; A292-L339 HydrophobicContact CB-CG 4.19Å; Y335-L339 WeakPolarHBondContact O-CB 3.37Å; Y335-L339 PolarHBondContact O-N 3Å; F337-L339 VanDerWaalsContact C-N 3.34Å; L339-Y341 VanDerWaalsContact C-N 3.35Å; L339-Y341 PolarHBondContact O-N 3.37Å; L339-R342 PolarHBondContact O-N 3.39Å; L339-L343 HydrophobicContact CD1-CD1 4.45Å; L339-L343 HydrophobicContact CG-CD1 4.22Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.43Å; L339-L343 PolarHBondContact O-N 3.37Å; L339-V405 HydrophobicContact CD1-CG1 4.35Å; L339-F406 HydrophobicContact CD1-CE2 3.73Å; L339-F406 HydrophobicContact CD1-CZ 3.76Å |
| 340 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 179 | -76.6 | 167.8 | 0 | 0 | 0 | 113 | C307 I308 V336 F337 L338 L343 T344 Y349 | C307-L340 HydrophobicContact CB-CD2 3.75Å; I308-L340 HydrophobicContact CG1-CD2 4.08Å; V336-L340 HydrophobicContact CG1-CD1 4.19Å; V336-L340 WeakPolarHBondContact O-CB 2.77Å; V336-L340 WeakPolarHBondContact O-CG 3.34Å; V336-L340 PolarHBondContact O-N 2.99Å; F337-L340 PolarHBondContact O-N 3.09Å; L338-L340 PolarHBondContact O-N 3.29Å; L340-L343 PolarHBondContact O-N 2.83Å; L340-T344 WeakPolarHBondContact O-CB 3.23Å; L340-T344 WeakPolarHBondContact O-CG2 3.2Å; L340-T344 PolarHBondContact O-N 2.99Å; L340-T344 PolarHBondContact O-OG1 3.33Å; L340-Y349 HydrophobicContact CB-CD1 3.82Å; L340-Y349 HydrophobicContact CB-CD2 3.64Å; L340-Y349 HydrophobicContact CB-CE1 4.08Å; L340-Y349 HydrophobicContact CB-CE2 3.89Å; L340-Y349 HydrophobicContact CB-CG 3.6Å; L340-Y349 HydrophobicContact CD1-CD1 3.83Å; L340-Y349 HydrophobicContact CD1-CE1 3.62Å; L340-Y349 HydrophobicContact CD1-CG 4.48Å; L340-Y349 HydrophobicContact CG-CD1 4.45Å; L340-Y349 HydrophobicContact CG-CE1 4.36Å |
| 341 | Y | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 20.6 Ų | 20.6 | 13% | 0.129 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 173.5 | 175.3 | -105.8 | 0 | 0 | 0 | 110.5 | F337 L338 L339 L343 T344 G345 L350 P395 D396 | F337-Y341 WeakPolarHBondContact O-CB 3.11Å; F337-Y341 PolarHBondContact O-N 2.84Å; L338-Y341 PolarHBondContact O-N 3.3Å; L339-Y341 VanDerWaalsContact C-N 3.35Å; L339-Y341 PolarHBondContact O-N 3.37Å; Y341-L343 VanDerWaalsContact C-N 3.26Å; Y341-L343 PolarHBondContact O-N 3.24Å; Y341-T344 PolarHBondContact O-N 3.23Å; Y341-G345 WeakPolarHBondContact O-CA 3.47Å; Y341-G345 PolarHBondContact O-N 2.95Å; Y341-L350 HydrophobicContact CD2-CB 4.05Å; Y341-L350 HydrophobicContact CE2-CB 4.34Å; Y341-L350 HydrophobicContact CG-CB 4.41Å; Y341-P395 HydrophobicContact CD1-CB 3.81Å; Y341-P395 HydrophobicContact CE1-CB 3.67Å; Y341-P395 HydrophobicContact CE1-CG 3.98Å; Y341-D396 WeakPolarHBondContact CE1-OD1 3.24Å; Y341-D396 PolarHBondContact OH-OD1 3.09Å |
| 342 | R | 97.9 | Very high | 98.1 | Very high | 64 Ų | 64 | 20.7 Ų | 20.7 | 24% | 0.242 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -30.9 | 178 | -69.2 | -168.5 | 74.1 | -163.6 | 0.1 | 113.4 | L338 L339 P395 D396 S398 F406 | L338-R342 WeakPolarHBondContact O-CG 3.03Å; L338-R342 PolarHBondContact O-N 2.96Å; L339-R342 PolarHBondContact O-N 3.39Å; R342-P395 WeakPolarHBondContact CD-O 3.19Å; R342-P395 VanDerWaalsContact CG-O 3.25Å; R342-P395 WeakPolarHBondContact CG-O 3.29Å; R342-D396 VanDerWaalsContact CZ-O 3.31Å; R342-D396 PolarHBondContact NE-O 3.46Å; R342-D396 PolarHBondContact NH2-O 3.2Å; R342-S398 WeakPolarHBondContact CD-O 3.39Å; R342-S398 PolarHBondContact NH1-O 2.9Å; R342-F406 HydrophobicContact CB-CE1 3.88Å; R342-F406 HydrophobicContact CB-CE2 4.01Å; R342-F406 HydrophobicContact CB-CZ 3.39Å; R342-F406 HydrophobicContact CG-CZ 4.4Å |
| 343 | L | 97.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74.6 | -31.3 | 176.6 | -71.9 | 173.7 | 0 | 0 | 0 | 113.9 | A292 Y295 L296 L304 C307 L339 L340 Y341 F406 | A292-L343 HydrophobicContact CB-CD1 3.76Å; A292-L343 HydrophobicContact CB-CD2 4.41Å; Y295-L343 HydrophobicContact CD1-CD2 4.21Å; L296-L343 HydrophobicContact CD1-CD2 4.47Å; L296-L343 HydrophobicContact CD2-CD2 3.88Å; L296-L343 HydrophobicContact CG-CD2 4.04Å; L304-L343 HydrophobicContact CD1-CB 4.38Å; L304-L343 HydrophobicContact CD1-CD1 4.36Å; C307-L343 HydrophobicContact CB-CD1 4.47Å; L339-L343 HydrophobicContact CD1-CD1 4.45Å; L339-L343 HydrophobicContact CG-CD1 4.22Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.43Å; L339-L343 PolarHBondContact O-N 3.37Å; L340-L343 PolarHBondContact O-N 2.83Å; Y341-L343 VanDerWaalsContact C-N 3.26Å; Y341-L343 PolarHBondContact O-N 3.24Å; L343-F406 HydrophobicContact CD2-CE1 3.9Å; L343-F406 HydrophobicContact CD2-CZ 4.23Å; L343-F406 HydrophobicContact CG-CE1 4.35Å; L343-F406 HydrophobicContact CG-CZ 4.26Å |
| 344 | T | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 21.3 Ų | 21.3 | 33% | 0.331 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -122.1 | -18.6 | -165.2 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | L304 L340 Y341 N346 Y349 | L304-T344 HydrophobicContact CD1-CG2 4.01Å; L340-T344 WeakPolarHBondContact O-CB 3.23Å; L340-T344 WeakPolarHBondContact O-CG2 3.2Å; L340-T344 PolarHBondContact O-N 2.99Å; L340-T344 PolarHBondContact O-OG1 3.33Å; Y341-T344 PolarHBondContact O-N 3.23Å; T344-N346 PolarHBondContact O-N 3.12Å; T344-N346 WeakPolarHBondContact OG1-CB 3.23Å; T344-N346 PolarHBondContact OG1-N 2.7Å; T344-Y349 HydrophobicContact CG2-CE2 4.35Å |
| 345 | G | 97.2 | Very high | 97.9 | Very high | 50 Ų | 50 | 23.1 Ų | 23.1 | 52% | 0.515 | 13% | 0.127 | S | C | . | . | trans | 67.1 | 4.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y341 S347 | Y341-G345 WeakPolarHBondContact O-CA 3.47Å; Y341-G345 PolarHBondContact O-N 2.95Å; G345-S347 PolarHBondContact O-N 3.37Å | ||
| 346 | N | 97.7 | Very high | 97.8 | Very high | 72 Ų | 72 | 23 Ų | 23 | 39% | 0.385 | 13% | 0.126 | S | C | . | . | trans | -80.5 | 113 | -172.7 | -172.9 | -21 | 0 | 0 | 0 | 111.9 | T344 K348 Y349 | T344-N346 PolarHBondContact O-N 3.12Å; T344-N346 WeakPolarHBondContact OG1-CB 3.23Å; T344-N346 PolarHBondContact OG1-N 2.7Å; N346-K348 PolarHBondContact O-N 3.16Å; N346-K348 WeakPolarHBondContact OD1-CB 3.26Å; N346-K348 PolarHBondContact OD1-N 3.19Å; N346-Y349 HydrophobicContact CB-CD2 3.95Å; N346-Y349 HydrophobicContact CB-CE2 4.01Å; N346-Y349 PolarHBondContact O-N 3.03Å | ||
| 347 | S | 97 | Very high | 97.6 | Very high | 42 Ų | 42 | 23.1 Ų | 23.1 | 29% | 0.294 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.6 | -17.4 | -179.7 | -50.9 | 0 | 0 | 0 | 0 | 114.9 | G345 Y349 L350 Y351 | G345-S347 PolarHBondContact O-N 3.37Å; S347-Y349 PolarHBondContact O-N 3.16Å; S347-L350 PolarHBondContact O-N 3.12Å; S347-Y351 PolarHBondContact O-N 3.49Å |
| 348 | K | 98 | Very high | 97.4 | Very high | 42 Ų | 42 | 26.7 Ų | 26.7 | 18% | 0.183 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -51 | -44.2 | 169.9 | 176.9 | -175.3 | -178.7 | -167.5 | 0 | 111.2 | D13 Y14 E312 N346 Y351 R352 | D13-K348 WeakPolarHBondContact OD2-CE 3.45Å; D13-K348 IonicContact OD2-NZ 3.3Å; Y14-K348 HydrophobicContact CD1-CB 3.89Å; Y14-K348 HydrophobicContact CD1-CG 4.43Å; Y14-K348 HydrophobicContact CG-CB 4.17Å; Y14-K348 HydrophobicContact CG-CG 4.45Å; E312-K348 IonicContact OE1-NZ 2.89Å; E312-K348 PolarHBondContact OE1-NZ 2.99Å; E312-K348 IonicContact OE2-NZ 3.76Å; N346-K348 PolarHBondContact O-N 3.16Å; N346-K348 WeakPolarHBondContact OD1-CB 3.26Å; N346-K348 PolarHBondContact OD1-N 3.19Å; K348-Y351 WeakPolarHBondContact O-CB 3.42Å; K348-Y351 PolarHBondContact O-N 3.43Å; K348-R352 WeakPolarHBondContact O-CG 3.29Å; K348-R352 PolarHBondContact O-N 3.3Å |
| 349 | Y | 98.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.9 | -38.6 | -176.3 | -58.8 | -61 | 0 | 0 | 0 | 111.7 | F337 L340 T344 N346 S347 Y351 R352 A353 | F337-Y349 WeakPolarHBondContact CB-O 3.36Å; F337-Y349 HydrophobicContact CD1-CD1 4.16Å; F337-Y349 VanDerWaalsContact O-CB 3.28Å; F337-Y349 WeakPolarHBondContact O-CB 3.41Å; L340-Y349 HydrophobicContact CB-CD1 3.82Å; L340-Y349 HydrophobicContact CB-CD2 3.64Å; L340-Y349 HydrophobicContact CB-CE1 4.08Å; L340-Y349 HydrophobicContact CB-CE2 3.89Å; L340-Y349 HydrophobicContact CB-CG 3.6Å; L340-Y349 HydrophobicContact CD1-CD1 3.83Å; L340-Y349 HydrophobicContact CD1-CE1 3.62Å; L340-Y349 HydrophobicContact CD1-CG 4.48Å; L340-Y349 HydrophobicContact CG-CD1 4.45Å; L340-Y349 HydrophobicContact CG-CE1 4.36Å; T344-Y349 HydrophobicContact CG2-CE2 4.35Å; N346-Y349 HydrophobicContact CB-CD2 3.95Å; N346-Y349 HydrophobicContact CB-CE2 4.01Å; N346-Y349 PolarHBondContact O-N 3.03Å; S347-Y349 PolarHBondContact O-N 3.16Å; Y349-Y351 VanDerWaalsContact C-N 3.32Å; Y349-Y351 PolarHBondContact O-N 3.05Å; Y349-R352 PolarHBondContact O-N 3.22Å; Y349-R352 VanDerWaalsContact O-N 3.14Å; Y349-A353 PolarHBondContact O-N 3.18Å |
| 350 | L | 96.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.073 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 172.3 | -177.4 | 57.3 | 0 | 0 | 0 | 111.5 | L18 L338 Y341 S347 R352 A353 Q354 L392 P395 | L18-L350 HydrophobicContact CD1-CD2 3.87Å; L18-L350 HydrophobicContact CD2-CB 4.24Å; L18-L350 HydrophobicContact CD2-CD2 4.31Å; L18-L350 HydrophobicContact CD2-CG 4.21Å; L338-L350 HydrophobicContact CD2-CD1 4.37Å; Y341-L350 HydrophobicContact CD2-CB 4.05Å; Y341-L350 HydrophobicContact CE2-CB 4.34Å; Y341-L350 HydrophobicContact CG-CB 4.41Å; S347-L350 PolarHBondContact O-N 3.12Å; L350-R352 VanDerWaalsContact C-N 3.34Å; L350-R352 PolarHBondContact O-N 3.44Å; L350-A353 WeakPolarHBondContact O-CB 3.19Å; L350-A353 PolarHBondContact O-N 2.64Å; L350-Q354 WeakPolarHBondContact O-CG 3.28Å; L350-Q354 PolarHBondContact O-N 2.95Å; L350-L392 HydrophobicContact CD1-CD1 3.8Å; L350-P395 HydrophobicContact CD1-CB 3.84Å; L350-P395 HydrophobicContact CD1-CG 4.13Å; L350-P395 HydrophobicContact CD2-CG 4.22Å |
| 351 | Y | 97.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -45.1 | 173.5 | 171.6 | -89.3 | 0 | 0 | 0 | 112.5 | S12 Y14 L19 W315 S347 K348 Y349 Q354 R355 | S12-Y351 VanDerWaalsContact O-CE1 3.28Å; S12-Y351 WeakPolarHBondContact O-CE1 3.48Å; S12-Y351 PolarHBondContact O-OH 2.88Å; Y14-Y351 HydrophobicContact CD2-CD1 4.33Å; Y14-Y351 AromaticContact CD2-CD2 4Å; Y14-Y351 HydrophobicContact CD2-CD2 4Å; Y14-Y351 AromaticContact CD2-CG 3.73Å; Y14-Y351 HydrophobicContact CD2-CG 3.73Å; Y14-Y351 HydrophobicContact CG-CG 4.39Å; L19-Y351 HydrophobicContact CD1-CE2 4.4Å; L19-Y351 HydrophobicContact CD2-CD2 4.23Å; L19-Y351 HydrophobicContact CD2-CE2 3.52Å; L19-Y351 HydrophobicContact CG-CD2 3.89Å; L19-Y351 HydrophobicContact CG-CE2 3.69Å; W315-Y351 HydrophobicContact CH2-CE1 4.39Å; S347-Y351 PolarHBondContact O-N 3.49Å; K348-Y351 WeakPolarHBondContact O-CB 3.42Å; K348-Y351 PolarHBondContact O-N 3.43Å; Y349-Y351 VanDerWaalsContact C-N 3.32Å; Y349-Y351 PolarHBondContact O-N 3.05Å; Y351-Q354 WeakPolarHBondContact O-CB 3.45Å; Y351-Q354 PolarHBondContact O-N 3.26Å; Y351-R355 HydrophobicContact CD1-CG 4.31Å; Y351-R355 HydrophobicContact CE1-CG 3.82Å; Y351-R355 PolarHBondContact O-N 3.07Å; Y351-R355 PolarHBondContact OH-NE 3.42Å; Y351-R355 PolarHBondContact OH-NH2 3.28Å |
| 352 | R | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 178.7 | -69.5 | -173.6 | 169.4 | -177.8 | -6.9 | 112.2 | D13 E312 W315 F337 K348 Y349 L350 Q354 R355 F356 | D13-R352 IonicContact OD1-CZ 2.75Å; D13-R352 IonicContact OD1-NE 3.71Å; D13-R352 PolarHBondContact OD1-NE 2.95Å; D13-R352 IonicContact OD1-NH2 3.55Å; D13-R352 IonicContact OD2-CZ 2.78Å; D13-R352 IonicContact OD2-NE 3.78Å; D13-R352 IonicContact OD2-NH2 3.75Å; D13-R352 PolarHBondContact OD2-NH2 3.06Å; E312-R352 IonicContact OE1-CZ 3.63Å; E312-R352 IonicContact OE1-NH1 2.74Å; E312-R352 PolarHBondContact OE1-NH1 3.5Å; E312-R352 VanDerWaalsContact OE1-NH1 3.09Å; E312-R352 IonicContact OE1-NH2 3.49Å; E312-R352 IonicContact OE2-CZ 3.62Å; E312-R352 VanDerWaalsContact OE2-CZ 3.3Å; E312-R352 IonicContact OE2-NH1 3.21Å; E312-R352 PolarHBondContact OE2-NH1 3.26Å; E312-R352 IonicContact OE2-NH2 2.64Å; E312-R352 PolarHBondContact OE2-NH2 2.97Å; W315-R352 HydrophobicContact CD2-CG 3.9Å; W315-R352 HydrophobicContact CE3-CB 3.68Å; W315-R352 VanDerWaalsContact CE3-CD 3.46Å; W315-R352 HydrophobicContact CE3-CG 3.38Å; W315-R352 HydrophobicContact CH2-CG 4.11Å; W315-R352 HydrophobicContact CZ3-CB 3.71Å; W315-R352 HydrophobicContact CZ3-CG 3.51Å; F337-R352 HydrophobicContact CB-CB 4.49Å; F337-R352 HydrophobicContact CD1-CB 3.84Å; F337-R352 HydrophobicContact CD2-CB 3.76Å; F337-R352 HydrophobicContact CE1-CB 3.89Å; F337-R352 HydrophobicContact CE1-CG 4.39Å; F337-R352 HydrophobicContact CE2-CB 3.82Å; F337-R352 HydrophobicContact CG-CB 3.78Å; F337-R352 HydrophobicContact CZ-CB 3.88Å; K348-R352 WeakPolarHBondContact O-CG 3.29Å; K348-R352 PolarHBondContact O-N 3.3Å; Y349-R352 PolarHBondContact O-N 3.22Å; Y349-R352 VanDerWaalsContact O-N 3.14Å; L350-R352 VanDerWaalsContact C-N 3.34Å; L350-R352 PolarHBondContact O-N 3.44Å; R352-Q354 VanDerWaalsContact C-N 3.34Å; R352-Q354 PolarHBondContact O-N 3.24Å; R352-R355 PolarHBondContact O-N 2.76Å; R352-F356 VanDerWaalsContact O-CD2 3.31Å; R352-F356 WeakPolarHBondContact O-CD2 3.38Å; R352-F356 PolarHBondContact O-N 3.09Å; R352-F356 VanDerWaalsContact O-N 3.1Å |
| 353 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F337 L338 Y349 L350 R355 F356 A357 L392 | F337-A353 HydrophobicContact CB-CB 4.02Å; L338-A353 HydrophobicContact CD2-CB 3.87Å; L338-A353 HydrophobicContact CG-CB 4.18Å; Y349-A353 PolarHBondContact O-N 3.18Å; L350-A353 WeakPolarHBondContact O-CB 3.19Å; L350-A353 PolarHBondContact O-N 2.64Å; A353-R355 PolarHBondContact O-N 2.97Å; A353-F356 PolarHBondContact O-N 2.98Å; A353-A357 PolarHBondContact O-N 2.88Å; A353-L392 HydrophobicContact CB-CD1 3.76Å |
| 354 | Q | 96 | Very high | 95.6 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 176 | -69.7 | 176.3 | -27.4 | 0 | 0 | 112.4 | L19 Q22 L350 Y351 R352 F356 A357 E358 L392 | L19-Q354 HydrophobicContact CD1-CB 3.81Å; Q22-Q354 HydrophobicContact CB-CG 4.3Å; Q22-Q354 HydrophobicContact CG-CB 4.28Å; Q22-Q354 HydrophobicContact CG-CG 4.43Å; Q22-Q354 PolarHBondContact NE2-O 2.83Å; L350-Q354 WeakPolarHBondContact O-CG 3.28Å; L350-Q354 PolarHBondContact O-N 2.95Å; Y351-Q354 WeakPolarHBondContact O-CB 3.45Å; Y351-Q354 PolarHBondContact O-N 3.26Å; R352-Q354 VanDerWaalsContact C-N 3.34Å; R352-Q354 PolarHBondContact O-N 3.24Å; Q354-F356 VanDerWaalsContact C-N 3.32Å; Q354-F356 PolarHBondContact O-N 3.41Å; Q354-A357 WeakPolarHBondContact O-CB 3.43Å; Q354-A357 PolarHBondContact O-N 2.73Å; Q354-E358 PolarHBondContact O-N 3.3Å; Q354-L392 HydrophobicContact CG-CD1 4.06Å; Q354-L392 HydrophobicContact CG-CD2 4.33Å |
| 355 | R | 96.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -38.5 | 174.8 | -73.1 | -62.6 | -168.1 | -173.2 | 3.7 | 113.1 | F11 L19 W315 Y351 R352 A353 E358 F359 | F11-R355 HydrophobicContact CB-CG 4.25Å; F11-R355 HydrophobicContact CD2-CB 4.18Å; F11-R355 HydrophobicContact CG-CB 4.27Å; F11-R355 HydrophobicContact CG-CG 4.26Å; L19-R355 HydrophobicContact CD1-CG 3.95Å; L19-R355 VanDerWaalsContact CD2-NH2 3.3Å; W315-R355 HydrophobicContact CH2-CB 4.1Å; W315-R355 HydrophobicContact CH2-CG 4.07Å; W315-R355 HydrophobicContact CZ3-CB 4Å; W315-R355 HydrophobicContact CZ3-CG 4.4Å; Y351-R355 HydrophobicContact CD1-CG 4.31Å; Y351-R355 HydrophobicContact CE1-CG 3.82Å; Y351-R355 PolarHBondContact O-N 3.07Å; Y351-R355 PolarHBondContact OH-NE 3.42Å; Y351-R355 PolarHBondContact OH-NH2 3.28Å; R352-R355 PolarHBondContact O-N 2.76Å; A353-R355 PolarHBondContact O-N 2.97Å; R355-E358 WeakPolarHBondContact CD-OE2 3.45Å; R355-E358 IonicContact CZ-OE2 3.55Å; R355-E358 IonicContact NH1-OE1 2.7Å; R355-E358 IonicContact NH1-OE2 3.76Å; R355-E358 PolarHBondContact NH1-OE2 3.37Å; R355-E358 PolarHBondContact O-N 2.96Å; R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 2.95Å |
| 356 | F | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70 | -36.9 | 176.4 | -84 | -131.3 | 0 | 0 | 0 | 111.2 | V314 W315 G318 L319 V330 A334 F337 R352 A353 Q354 F359 I360 | V314-F356 HydrophobicContact CG1-CE1 4.09Å; V314-F356 HydrophobicContact CG1-CZ 4.33Å; V314-F356 VanDerWaalsContact O-CZ 3.31Å; V314-F356 WeakPolarHBondContact O-CZ 3.31Å; W315-F356 HydrophobicContact CE3-CD2 4.35Å; W315-F356 AromaticContact CE3-CE2 3.66Å; W315-F356 HydrophobicContact CE3-CE2 3.66Å; W315-F356 HydrophobicContact CZ3-CD2 4.16Å; W315-F356 AromaticContact CZ3-CE2 3.84Å; W315-F356 HydrophobicContact CZ3-CE2 3.84Å; G318-F356 VanDerWaalsContact C-CE1 3.46Å; G318-F356 WeakPolarHBondContact O-CE1 3.5Å; L319-F356 HydrophobicContact CD2-CD1 3.8Å; L319-F356 HydrophobicContact CD2-CD2 3.73Å; L319-F356 HydrophobicContact CD2-CE1 3.7Å; L319-F356 HydrophobicContact CD2-CE2 3.61Å; L319-F356 HydrophobicContact CD2-CG 3.81Å; L319-F356 HydrophobicContact CD2-CZ 3.58Å; L319-F356 HydrophobicContact CG-CE1 4.4Å; L319-F356 HydrophobicContact CG-CE2 4.22Å; L319-F356 HydrophobicContact CG-CZ 4.01Å; V330-F356 HydrophobicContact CG1-CB 4.11Å; V330-F356 HydrophobicContact CG1-CD1 3.8Å; V330-F356 HydrophobicContact CG1-CG 4.27Å; A334-F356 HydrophobicContact CB-CB 3.64Å; A334-F356 HydrophobicContact CB-CD1 3.98Å; A334-F356 HydrophobicContact CB-CG 4.14Å; F337-F356 HydrophobicContact CE2-CD1 4.1Å; F337-F356 AromaticContact CE2-CD2 3.79Å; F337-F356 HydrophobicContact CE2-CD2 3.79Å; F337-F356 AromaticContact CE2-CE1 3.95Å; F337-F356 HydrophobicContact CE2-CE1 3.95Å; F337-F356 AromaticContact CE2-CE2 3.65Å; F337-F356 HydrophobicContact CE2-CE2 3.65Å; F337-F356 HydrophobicContact CE2-CG 4.04Å; F337-F356 AromaticContact CE2-CZ 3.75Å; F337-F356 HydrophobicContact CE2-CZ 3.75Å; F337-F356 HydrophobicContact CZ-CE2 4.12Å; F337-F356 HydrophobicContact CZ-CZ 4.11Å; R352-F356 VanDerWaalsContact O-CD2 3.31Å; R352-F356 WeakPolarHBondContact O-CD2 3.38Å; R352-F356 PolarHBondContact O-N 3.09Å; R352-F356 VanDerWaalsContact O-N 3.1Å; A353-F356 PolarHBondContact O-N 2.98Å; Q354-F356 VanDerWaalsContact C-N 3.32Å; Q354-F356 PolarHBondContact O-N 3.41Å; F356-F359 PolarHBondContact O-N 3.32Å; F356-I360 WeakPolarHBondContact O-CG1 3.48Å; F356-I360 PolarHBondContact O-N 3.2Å |
| 357 | A | 95.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A353 Q354 F359 I360 F361 F388 L389 L392 | A353-A357 PolarHBondContact O-N 2.88Å; Q354-A357 WeakPolarHBondContact O-CB 3.43Å; Q354-A357 PolarHBondContact O-N 2.73Å; A357-F359 VanDerWaalsContact C-N 3.32Å; A357-F359 PolarHBondContact O-N 3.38Å; A357-I360 PolarHBondContact O-N 2.81Å; A357-F361 WeakPolarHBondContact O-CD2 3.25Å; A357-F361 WeakPolarHBondContact O-CE2 3.48Å; A357-F388 HydrophobicContact CB-CE1 3.74Å; A357-F388 HydrophobicContact CB-CZ 4.06Å; A357-L389 HydrophobicContact CB-CD2 3.79Å; A357-L392 HydrophobicContact CB-CD2 3.6Å |
| 358 | E | 93.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 175.2 | -176.8 | -174.9 | 174.4 | 0 | 0 | 111.2 | Q354 R355 I360 F361 | Q354-E358 PolarHBondContact O-N 3.3Å; R355-E358 WeakPolarHBondContact CD-OE2 3.45Å; R355-E358 IonicContact CZ-OE2 3.55Å; R355-E358 IonicContact NH1-OE1 2.7Å; R355-E358 IonicContact NH1-OE2 3.76Å; R355-E358 PolarHBondContact NH1-OE2 3.37Å; R355-E358 PolarHBondContact O-N 2.96Å; E358-I360 VanDerWaalsContact C-N 3.33Å; E358-I360 PolarHBondContact O-N 3.2Å; E358-F361 PolarHBondContact O-N 3.46Å; E358-F361 VanDerWaalsContact O-N 3.09Å |
| 359 | F | 94.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57 | -41.3 | -177.5 | -175.7 | -107.7 | 0 | 0 | 0 | 113.9 | F7 F11 L319 V330 R355 F356 A357 F361 T362 E364 F365 | F7-F359 HydrophobicContact CB-CE1 4.45Å; F7-F359 HydrophobicContact CB-CE2 4.45Å; F7-F359 HydrophobicContact CB-CZ 3.73Å; F7-F359 HydrophobicContact CD1-CZ 4.07Å; F7-F359 AromaticContact CD2-CE1 3.63Å; F7-F359 HydrophobicContact CD2-CE1 3.63Å; F7-F359 AromaticContact CD2-CZ 3.46Å; F7-F359 HydrophobicContact CD2-CZ 3.46Å; F7-F359 VanDerWaalsContact CD2-CZ 3.46Å; F7-F359 HydrophobicContact CE2-CE1 4.02Å; F7-F359 AromaticContact CE2-CZ 3.98Å; F7-F359 HydrophobicContact CE2-CZ 3.98Å; F7-F359 HydrophobicContact CG-CE1 4.16Å; F7-F359 AromaticContact CG-CZ 3.51Å; F7-F359 HydrophobicContact CG-CZ 3.51Å; F7-F359 HydrophobicContact CZ-CZ 4.47Å; F11-F359 HydrophobicContact CE2-CB 3.91Å; F11-F359 AromaticContact CE2-CD2 3.99Å; F11-F359 HydrophobicContact CE2-CD2 3.99Å; F11-F359 HydrophobicContact CE2-CG 4.32Å; F11-F359 HydrophobicContact CZ-CB 4.17Å; F11-F359 HydrophobicContact CZ-CD2 4.26Å; L319-F359 HydrophobicContact CB-CD1 4.21Å; L319-F359 HydrophobicContact CB-CE1 3.89Å; L319-F359 HydrophobicContact CB-CZ 4.31Å; L319-F359 HydrophobicContact CD1-CD1 4.32Å; L319-F359 HydrophobicContact CD1-CD2 4.06Å; L319-F359 HydrophobicContact CD1-CE1 4.39Å; L319-F359 HydrophobicContact CD1-CE2 4.17Å; L319-F359 HydrophobicContact CD1-CG 4.14Å; L319-F359 HydrophobicContact CD1-CZ 4.34Å; L319-F359 HydrophobicContact CD2-CB 4.08Å; L319-F359 HydrophobicContact CD2-CD1 3.66Å; L319-F359 HydrophobicContact CD2-CE1 4.23Å; L319-F359 HydrophobicContact CD2-CG 3.84Å; L319-F359 HydrophobicContact CG-CD1 4.27Å; L319-F359 HydrophobicContact CG-CE1 4.39Å; L319-F359 HydrophobicContact CG-CG 4.49Å; V330-F359 HydrophobicContact CG1-CD1 4.22Å; V330-F359 HydrophobicContact CG2-CD1 4.19Å; V330-F359 HydrophobicContact CG2-CE1 4.3Å; R355-F359 WeakPolarHBondContact O-CB 3.37Å; R355-F359 PolarHBondContact O-N 2.95Å; F356-F359 PolarHBondContact O-N 3.32Å; A357-F359 VanDerWaalsContact C-N 3.32Å; A357-F359 PolarHBondContact O-N 3.38Å; F359-F361 PolarHBondContact O-N 2.92Å; F359-T362 HydrophobicContact CD2-CG2 4.42Å; F359-T362 WeakPolarHBondContact O-CB 3.43Å; F359-T362 WeakPolarHBondContact O-CG2 3.31Å; F359-T362 PolarHBondContact O-N 2.93Å; F359-T362 PolarHBondContact O-OG1 3.41Å; F359-E364 HydrophobicContact CE2-CG 4.46Å; F359-F365 HydrophobicContact CD1-CB 4.31Å; F359-F365 HydrophobicContact CD1-CD2 4.05Å; F359-F365 HydrophobicContact CD1-CG 4.43Å; F359-F365 HydrophobicContact CE1-CB 3.96Å; F359-F365 AromaticContact CE1-CD2 3.52Å; F359-F365 HydrophobicContact CE1-CD2 3.52Å; F359-F365 HydrophobicContact CE1-CE2 4.45Å; F359-F365 HydrophobicContact CE1-CG 4.12Å; F359-F365 HydrophobicContact CZ-CB 4.07Å; F359-F365 HydrophobicContact CZ-CD2 4.27Å; F359-F365 VanDerWaalsContact O-CB 3.3Å; F359-F365 WeakPolarHBondContact O-CB 3.47Å |
| 360 | I | 92.8 | Very high | 91 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.7 | -179 | -67.2 | 166.9 | 0 | 0 | 0 | 112.2 | P324 V330 A331 F356 A357 E358 F365 T385 F388 | P324-I360 HydrophobicContact CB-CG2 4.22Å; V330-I360 HydrophobicContact CB-CD1 4.03Å; V330-I360 HydrophobicContact CB-CG1 3.8Å; V330-I360 HydrophobicContact CG1-CD1 3.92Å; V330-I360 HydrophobicContact CG1-CG1 3.65Å; A331-I360 HydrophobicContact CB-CD1 4.32Å; F356-I360 WeakPolarHBondContact O-CG1 3.48Å; F356-I360 PolarHBondContact O-N 3.2Å; A357-I360 PolarHBondContact O-N 2.81Å; E358-I360 VanDerWaalsContact C-N 3.33Å; E358-I360 PolarHBondContact O-N 3.2Å; I360-F365 HydrophobicContact CG2-CD1 4.5Å; I360-F365 HydrophobicContact CG2-CE1 4.21Å; I360-F365 WeakPolarHBondContact O-CD1 3.15Å; I360-T385 HydrophobicContact CD1-CG2 4.14Å; I360-T385 HydrophobicContact CG2-CG2 4.1Å; I360-F388 HydrophobicContact CD1-CD1 4.44Å; I360-F388 HydrophobicContact CD1-CE1 4.36Å |
| 361 | F | 89.6 | Confident | 89 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -5.3 | -179.8 | -59.9 | -81.1 | 0 | 0 | 0 | 114.7 | A30 A357 E358 F359 K366 L389 | A30-F361 HydrophobicContact CB-CE1 3.98Å; A30-F361 HydrophobicContact CB-CZ 3.85Å; A357-F361 WeakPolarHBondContact O-CD2 3.25Å; A357-F361 WeakPolarHBondContact O-CE2 3.48Å; E358-F361 PolarHBondContact O-N 3.46Å; E358-F361 VanDerWaalsContact O-N 3.09Å; F359-F361 PolarHBondContact O-N 2.92Å; F361-K366 VanDerWaalsContact O-CE 3.24Å; F361-K366 WeakPolarHBondContact O-CE 3.48Å; F361-K366 PolarHBondContact O-NZ 3.03Å; F361-L389 HydrophobicContact CE2-CD1 4.33Å; F361-L389 HydrophobicContact CE2-CD2 4.35Å; F361-L389 HydrophobicContact CZ-CD1 3.84Å |
| 362 | T | 92.1 | Very high | 87.2 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -70.1 | 153.4 | -179.5 | 64.5 | 0 | 0 | 0 | 0 | 112 | F359 E364 F365 K366 | F359-T362 HydrophobicContact CD2-CG2 4.42Å; F359-T362 WeakPolarHBondContact O-CB 3.43Å; F359-T362 WeakPolarHBondContact O-CG2 3.31Å; F359-T362 PolarHBondContact O-N 2.93Å; F359-T362 PolarHBondContact O-OG1 3.41Å; T362-E364 PolarHBondContact O-N 3.43Å; T362-F365 PolarHBondContact O-N 3.26Å; T362-F365 WeakPolarHBondContact OG1-CB 3.4Å; T362-F365 PolarHBondContact OG1-N 2.94Å; T362-K366 WeakPolarHBondContact O-CG 3.49Å; T362-K366 PolarHBondContact O-N 3.5Å; T362-K366 VanDerWaalsContact O-N 3.12Å |
| 363 | E | 90.6 | Very high | 85.3 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.2 | -31.3 | 172.6 | -65 | -52 | 123.6 | 0 | 0 | 112.1 | F365 K366 A367 | E363-F365 PolarHBondContact O-N 2.87Å; E363-K366 PolarHBondContact O-N 3.42Å; E363-K366 IonicContact OE1-NZ 2.63Å; E363-K366 PolarHBondContact OE1-NZ 2.97Å; E363-A367 VanDerWaalsContact O-CB 3.28Å; E363-A367 WeakPolarHBondContact O-CB 3.29Å; E363-A367 PolarHBondContact O-N 2.77Å |
| 364 | E | 92.6 | Very high | 83.6 | Confident | 76 Ų | 76 | 52.1 Ų | 52.1 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 173.6 | 179 | 172 | -159.3 | 0 | 0 | 111.2 | F7 R10 F359 T362 G368 | F7-E364 HydrophobicContact CD1-CG 3.97Å; F7-E364 HydrophobicContact CE1-CG 4.1Å; R10-E364 IonicContact NH1-OE1 3.79Å; F359-E364 HydrophobicContact CE2-CG 4.46Å; T362-E364 PolarHBondContact O-N 3.43Å; E364-G368 PolarHBondContact O-N 2.61Å |
| 365 | F | 91.8 | Very high | 83 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.5 | -179.7 | -102.7 | 0 | 0 | 0 | 111.7 | F7 P324 V330 F359 I360 T362 E363 A367 G368 S369 | F7-F365 AromaticContact CE2-CD2 3.84Å; F7-F365 HydrophobicContact CE2-CD2 3.84Å; F7-F365 HydrophobicContact CE2-CE2 4.38Å; F7-F365 HydrophobicContact CZ-CD2 4.33Å; P324-F365 HydrophobicContact CB-CE1 3.99Å; P324-F365 HydrophobicContact CB-CZ 3.77Å; P324-F365 HydrophobicContact CG-CZ 4.41Å; V330-F365 HydrophobicContact CG2-CD2 4.22Å; V330-F365 HydrophobicContact CG2-CE2 3.66Å; V330-F365 HydrophobicContact CG2-CZ 4.41Å; F359-F365 HydrophobicContact CD1-CB 4.31Å; F359-F365 HydrophobicContact CD1-CD2 4.05Å; F359-F365 HydrophobicContact CD1-CG 4.43Å; F359-F365 HydrophobicContact CE1-CB 3.96Å; F359-F365 AromaticContact CE1-CD2 3.52Å; F359-F365 HydrophobicContact CE1-CD2 3.52Å; F359-F365 HydrophobicContact CE1-CE2 4.45Å; F359-F365 HydrophobicContact CE1-CG 4.12Å; F359-F365 HydrophobicContact CZ-CB 4.07Å; F359-F365 HydrophobicContact CZ-CD2 4.27Å; F359-F365 VanDerWaalsContact O-CB 3.3Å; F359-F365 WeakPolarHBondContact O-CB 3.47Å; I360-F365 HydrophobicContact CG2-CD1 4.5Å; I360-F365 HydrophobicContact CG2-CE1 4.21Å; I360-F365 WeakPolarHBondContact O-CD1 3.15Å; T362-F365 PolarHBondContact O-N 3.26Å; T362-F365 WeakPolarHBondContact OG1-CB 3.4Å; T362-F365 PolarHBondContact OG1-N 2.94Å; E363-F365 PolarHBondContact O-N 2.87Å; F365-A367 VanDerWaalsContact C-N 3.31Å; F365-A367 PolarHBondContact O-N 3.11Å; F365-G368 PolarHBondContact O-N 2.79Å; F365-S369 VanDerWaalsContact O-CB 3.23Å; F365-S369 WeakPolarHBondContact O-CB 3.45Å; F365-S369 PolarHBondContact O-N 3.44Å; F365-S369 PolarHBondContact O-OG 2.74Å; F365-S369 VanDerWaalsContact O-OG 3.12Å |
| 366 | K | 87.7 | Confident | 82.7 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 46% | 0.457 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | -178.9 | -68 | 173.1 | -163.3 | 163 | 0 | 113 | F361 T362 E363 | F361-K366 VanDerWaalsContact O-CE 3.24Å; F361-K366 WeakPolarHBondContact O-CE 3.48Å; F361-K366 PolarHBondContact O-NZ 3.03Å; T362-K366 WeakPolarHBondContact O-CG 3.49Å; T362-K366 PolarHBondContact O-N 3.5Å; T362-K366 VanDerWaalsContact O-N 3.12Å; E363-K366 PolarHBondContact O-N 3.42Å; E363-K366 IonicContact OE1-NZ 2.63Å; E363-K366 PolarHBondContact OE1-NZ 2.97Å |
| 367 | A | 87.4 | Confident | 82.5 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 76% | 0.76 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -79.1 | -34.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E363 F365 | E363-A367 VanDerWaalsContact O-CB 3.28Å; E363-A367 WeakPolarHBondContact O-CB 3.29Å; E363-A367 PolarHBondContact O-N 2.77Å; F365-A367 VanDerWaalsContact C-N 3.31Å; F365-A367 PolarHBondContact O-N 3.11Å |
| 368 | G | 82.2 | Confident | 82.6 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -98.7 | -14.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E364 F365 | E364-G368 PolarHBondContact O-N 2.61Å; F365-G368 PolarHBondContact O-N 2.79Å |
| 369 | S | 78.3 | Confident | 82.8 | Confident | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -73.1 | 129.9 | 174.4 | 70.1 | 0 | 0 | 0 | 0 | 109 | K321 F365 | K321-S369 WeakPolarHBondContact O-CA 3.37Å; F365-S369 VanDerWaalsContact O-CB 3.23Å; F365-S369 WeakPolarHBondContact O-CB 3.45Å; F365-S369 PolarHBondContact O-N 3.44Å; F365-S369 PolarHBondContact O-OG 2.74Å; F365-S369 VanDerWaalsContact O-OG 3.12Å |
| 370 | L | 63.2 | Low | 82.7 | Confident | 123 Ų | 123 | 51.6 Ų | 51.6 | 64% | 0.644 | 30% | 0.3 | S | S | * | . | trans | -49.5 | 151.6 | 166.5 | -65.1 | 165.1 | 0 | 0 | 0 | 108.6 | K321 V372 | K321-L370 PolarHBondContact O-N 3.31Å; L370-V372 HydrophobicContact CB-CG2 4.4Å; L370-V372 WeakPolarHBondContact O-CG2 3.48Å; L370-V372 PolarHBondContact O-N 3.05Å | ||
| 371 | S | 54.8 | Low | 82.7 | Confident | 103 Ų | 103 | 51 Ų | 51 | 72% | 0.72 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -53.3 | 16 | -163.7 | 66.3 | 0 | 0 | 0 | 0 | 119.5 | T373 S374 | S371-T373 PolarHBondContact O-N 3Å; S371-S374 PolarHBondContact O-N 2.75Å; S371-S374 PolarHBondContact O-OG 2.99Å |
| 372 | V | 57.9 | Low | 82.9 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -67.8 | -5.2 | 179.9 | -162.9 | 0 | 0 | 0 | 0 | 114 | K322 L370 S374 V375 E380 | K322-V372 VanDerWaalsContact O-CG2 3.26Å; K322-V372 WeakPolarHBondContact O-CG2 3.47Å; L370-V372 HydrophobicContact CB-CG2 4.4Å; L370-V372 WeakPolarHBondContact O-CG2 3.48Å; L370-V372 PolarHBondContact O-N 3.05Å; V372-S374 PolarHBondContact O-N 2.99Å; V372-S374 VanDerWaalsContact O-N 3.12Å; V372-V375 HydrophobicContact CG1-CB 4.11Å; V372-V375 HydrophobicContact CG1-CG2 3.95Å; V372-V375 PolarHBondContact O-N 2.95Å; V372-E380 WeakPolarHBondContact CG1-O 3.44Å |
| 373 | T | 58.2 | Low | 83.1 | Confident | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -69.3 | -6.6 | 171.5 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | K37 S371 | K37-T373 PolarHBondContact NZ-O 3.4Å; K37-T373 VanDerWaalsContact NZ-O 3.09Å; S371-T373 PolarHBondContact O-N 3Å |
| 374 | S | 63.7 | Low | 83.5 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 43% | 0.434 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -92.3 | -21.7 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | K41 S371 V372 C376 | K41-S374 PolarHBondContact NZ-O 3.17Å; S371-S374 PolarHBondContact O-N 2.75Å; S371-S374 PolarHBondContact O-OG 2.99Å; V372-S374 PolarHBondContact O-N 2.99Å; V372-S374 VanDerWaalsContact O-N 3.12Å; S374-C376 PolarHBondContact O-SG 3.28Å |
| 375 | V | 82.2 | Confident | 83.7 | Confident | 48 Ų | 48 | 36 Ų | 36 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | trans | -73.4 | 130.8 | -177.7 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | V372 S377 E380 G381 L382 | V372-V375 HydrophobicContact CG1-CB 4.11Å; V372-V375 HydrophobicContact CG1-CG2 3.95Å; V372-V375 PolarHBondContact O-N 2.95Å; V375-S377 WeakPolarHBondContact CG1-OG 3.45Å; V375-E380 HydrophobicContact CG1-CB 4.34Å; V375-G381 WeakPolarHBondContact O-CA 3.4Å; V375-L382 PolarHBondContact O-N 3.32Å | ||
| 376 | C | 90.4 | Very high | 84 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 8% | 0.081 | 23% | 0.225 | C | C | . | . | trans | -107 | -2.1 | -173.8 | -66.3 | 0 | 0 | 0 | 0 | 113.6 | I38 I42 S374 S383 | I38-C376 HydrophobicContact CG1-CB 4.26Å; I38-C376 HydrophobicContact CG2-CB 4.11Å; I42-C376 HydrophobicContact CD1-CB 3.8Å; I42-C376 HydrophobicContact CG1-CB 4.45Å; S374-C376 PolarHBondContact O-SG 3.28Å; C376-S383 VanDerWaalsContact O-CB 3.27Å; C376-S383 WeakPolarHBondContact O-CB 3.45Å; C376-S383 PolarHBondContact O-OG 3.35Å | ||
| 377 | S | 93.8 | Very high | 84.5 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | trans | -66.7 | 166.9 | -176.6 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | D55 V375 E380 G381 S383 | D55-S377 VanDerWaalsContact CA-CB 3.41Å; D55-S377 VanDerWaalsContact O-CB 3.3Å; D55-S377 WeakPolarHBondContact O-CB 3.3Å; V375-S377 WeakPolarHBondContact CG1-OG 3.45Å; S377-E380 PolarHBondContact OG-N 3.41Å; S377-G381 CarbonylContact O-C 3.44Å; S377-G381 WeakPolarHBondContact O-CA 3.5Å; S377-G381 PolarHBondContact O-N 2.69Å; S377-G381 VanDerWaalsContact O-N 3.16Å; S377-G381 PolarHBondContact OG-N 2.91Å; S377-S383 WeakPolarHBondContact O-CB 3.47Å; S377-S383 PolarHBondContact O-N 3.36Å | ||
| 378 | L | 97.2 | Very high | 85 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -70.4 | -50.1 | -178.8 | -179.1 | 62.7 | 0 | 0 | 0 | 111.7 | L53 Y62 I326 G384 L402 | L53-L378 WeakPolarHBondContact O-CB 3.24Å; Y62-L378 HydrophobicContact CD1-CD1 3.96Å; Y62-L378 HydrophobicContact CD1-CD2 3.66Å; Y62-L378 HydrophobicContact CD1-CG 4.5Å; Y62-L378 HydrophobicContact CE1-CD1 4.46Å; Y62-L378 HydrophobicContact CE1-CD2 4.38Å; Y62-L378 HydrophobicContact CG-CD2 4.25Å; I326-L378 HydrophobicContact CD1-CD1 4.4Å; I326-L378 HydrophobicContact CD1-CG 4.27Å; I326-L378 WeakPolarHBondContact CG1-O 3.44Å; L378-G384 WeakPolarHBondContact O-CA 3.42Å; L378-G384 PolarHBondContact O-N 3.43Å; L378-G384 VanDerWaalsContact O-N 3.08Å; L378-L402 HydrophobicContact CD2-CD1 3.8Å |
| 379 | F | 97.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -84.7 | -31.9 | -171.3 | -85.1 | -101.4 | 0 | 0 | 0 | 114 | Y54 L108 W280 I326 C327 F400 L402 | Y54-F379 HydrophobicContact CD1-CB 4.46Å; Y54-F379 HydrophobicContact CD2-CB 3.33Å; Y54-F379 AromaticContact CD2-CD1 3.81Å; Y54-F379 HydrophobicContact CD2-CD1 3.81Å; Y54-F379 AromaticContact CD2-CD2 3.98Å; Y54-F379 HydrophobicContact CD2-CD2 3.98Å; Y54-F379 AromaticContact CD2-CG 3.42Å; Y54-F379 HydrophobicContact CD2-CG 3.42Å; Y54-F379 VanDerWaalsContact CD2-CG 3.42Å; Y54-F379 HydrophobicContact CE1-CB 4.48Å; Y54-F379 HydrophobicContact CE2-CB 3.38Å; Y54-F379 AromaticContact CE2-CD1 3.87Å; Y54-F379 HydrophobicContact CE2-CD1 3.87Å; Y54-F379 AromaticContact CE2-CG 3.76Å; Y54-F379 HydrophobicContact CE2-CG 3.76Å; Y54-F379 HydrophobicContact CG-CB 3.9Å; Y54-F379 HydrophobicContact CG-CG 4.23Å; Y54-F379 PolarHBondContact O-N 2.85Å; L108-F379 HydrophobicContact CD1-CE1 3.89Å; L108-F379 HydrophobicContact CD1-CE2 4.2Å; L108-F379 HydrophobicContact CD1-CZ 3.63Å; L108-F379 HydrophobicContact CD2-CE2 3.85Å; L108-F379 HydrophobicContact CD2-CZ 3.76Å; L108-F379 HydrophobicContact CG-CZ 4.34Å; W280-F379 HydrophobicContact CE3-CE1 4.44Å; W280-F379 HydrophobicContact CH2-CD1 4.38Å; W280-F379 AromaticContact CH2-CE1 3.66Å; W280-F379 HydrophobicContact CH2-CE1 3.66Å; W280-F379 HydrophobicContact CZ2-CE1 4.36Å; W280-F379 AromaticContact CZ3-CD1 3.97Å; W280-F379 HydrophobicContact CZ3-CD1 3.97Å; W280-F379 AromaticContact CZ3-CE1 3.71Å; W280-F379 HydrophobicContact CZ3-CE1 3.71Å; I326-F379 HydrophobicContact CD1-CD1 4.34Å; I326-F379 HydrophobicContact CD1-CE1 4.45Å; I326-F379 HydrophobicContact CD1-CG 4.39Å; I326-F379 HydrophobicContact CG1-CB 4.5Å; I326-F379 HydrophobicContact CG1-CD1 4.2Å; I326-F379 HydrophobicContact CG1-CG 4.31Å; I326-F379 PolarHBondContact N-O 3.32Å; C327-F379 HydrophobicContact CB-CB 4.09Å; C327-F379 HydrophobicContact CB-CD1 4.11Å; C327-F379 WeakPolarHBondContact CB-O 3.41Å; C327-F379 PolarHBondContact N-O 3.08Å; F379-F400 AromaticContact CE1-CE1 3.95Å; F379-F400 HydrophobicContact CE1-CE1 3.95Å; F379-F400 HydrophobicContact CE1-CZ 4.41Å; F379-F400 HydrophobicContact CZ-CE1 4.46Å; F379-L402 HydrophobicContact CE2-CD1 4.35Å |
| 380 | E | 93.4 | Very high | 86.6 | Confident | 57 Ų | 57 | 24.5 Ų | 24.5 | 27% | 0.266 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -108.6 | -24.5 | -175.8 | -56.2 | -165.9 | 146.7 | 0 | 0 | 113.1 | Y54 G325 H328 V372 V375 S377 | Y54-E380 HydrophobicContact CE1-CG 3.73Å; Y54-E380 WeakPolarHBondContact CE1-OE1 3.23Å; Y54-E380 PolarHBondContact OH-OE1 3.49Å; G325-E380 WeakPolarHBondContact CA-O 3.44Å; H328-E380 IonicContact CE1-OE1 2.69Å; H328-E380 PolarHBondContact CE1-OE1 3.36Å; H328-E380 VanDerWaalsContact CE1-OE1 3.3Å; H328-E380 IonicContact NE2-OE1 3.65Å; V372-E380 WeakPolarHBondContact CG1-O 3.44Å; V375-E380 HydrophobicContact CG1-CB 4.34Å; S377-E380 PolarHBondContact OG-N 3.41Å |
| 381 | G | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -108.6 | -162.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V375 S377 S383 G384 | V375-G381 WeakPolarHBondContact O-CA 3.4Å; S377-G381 CarbonylContact O-C 3.44Å; S377-G381 WeakPolarHBondContact O-CA 3.5Å; S377-G381 PolarHBondContact O-N 2.69Å; S377-G381 VanDerWaalsContact O-N 3.16Å; S377-G381 PolarHBondContact OG-N 2.91Å; G381-S383 VanDerWaalsContact C-N 3.29Å; G381-S383 PolarHBondContact O-N 3.12Å; G381-G384 PolarHBondContact O-N 2.86Å |
| 382 | L | 94.3 | Very high | 90.2 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 7% | 0.068 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.1 | -21.8 | -176 | -66.1 | 176.6 | 0 | 0 | 0 | 114 | K37 I38 P324 V375 G384 T385 V386 | K37-L382 HydrophobicContact CD-CD1 3.98Å; I38-L382 HydrophobicContact CD1-CB 3.84Å; I38-L382 HydrophobicContact CG1-CB 4.04Å; P324-L382 HydrophobicContact CG-CD2 4.06Å; V375-L382 PolarHBondContact O-N 3.32Å; L382-G384 VanDerWaalsContact C-N 3.34Å; L382-G384 PolarHBondContact O-N 3.48Å; L382-T385 WeakPolarHBondContact O-CB 3.34Å; L382-T385 PolarHBondContact O-N 3.12Å; L382-V386 WeakPolarHBondContact O-CG2 3.42Å; L382-V386 PolarHBondContact O-N 3.44Å |
| 383 | S | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.5 | -38.1 | 179.6 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | M63 C376 S377 G381 V386 C387 | M63-S383 WeakPolarHBondContact CG-O 3.43Å; C376-S383 VanDerWaalsContact O-CB 3.27Å; C376-S383 WeakPolarHBondContact O-CB 3.45Å; C376-S383 PolarHBondContact O-OG 3.35Å; S377-S383 WeakPolarHBondContact O-CB 3.47Å; S377-S383 PolarHBondContact O-N 3.36Å; G381-S383 VanDerWaalsContact C-N 3.29Å; G381-S383 PolarHBondContact O-N 3.12Å; S383-V386 PolarHBondContact O-N 2.59Å; S383-C387 PolarHBondContact O-N 3.44Å; S383-C387 VanDerWaalsContact O-N 3.1Å; S383-C387 PolarHBondContact O-SG 2.74Å |
| 384 | G | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I326 L378 G381 L382 V386 C387 F388 | I326-G384 WeakPolarHBondContact CG2-O 3.39Å; L378-G384 WeakPolarHBondContact O-CA 3.42Å; L378-G384 PolarHBondContact O-N 3.43Å; L378-G384 VanDerWaalsContact O-N 3.08Å; G381-G384 PolarHBondContact O-N 2.86Å; L382-G384 VanDerWaalsContact C-N 3.34Å; L382-G384 PolarHBondContact O-N 3.48Å; G384-V386 VanDerWaalsContact C-N 3.31Å; G384-V386 PolarHBondContact O-N 3.25Å; G384-C387 PolarHBondContact O-N 2.89Å; G384-F388 PolarHBondContact O-N 2.71Å |
| 385 | T | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 173.1 | -48.9 | 0 | 0 | 0 | 0 | 111.8 | P324 I360 L382 F388 L389 | P324-T385 WeakPolarHBondContact CB-OG1 3.42Å; P324-T385 PolarHBondContact O-OG1 3.33Å; I360-T385 HydrophobicContact CD1-CG2 4.14Å; I360-T385 HydrophobicContact CG2-CG2 4.1Å; L382-T385 WeakPolarHBondContact O-CB 3.34Å; L382-T385 PolarHBondContact O-N 3.12Å; T385-F388 PolarHBondContact O-N 3.21Å; T385-L389 HydrophobicContact CG2-CD1 4.3Å; T385-L389 VanDerWaalsContact O-CG 3.3Å; T385-L389 WeakPolarHBondContact O-CG 3.46Å; T385-L389 PolarHBondContact O-N 3.46Å |
| 386 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.4 | 166.9 | 0 | 0 | 0 | 0 | 110.6 | V31 K34 I35 I38 M63 V67 L382 S383 G384 F388 L389 V390 | V31-V386 HydrophobicContact CG1-CG1 3.97Å; K34-V386 HydrophobicContact CB-CG2 3.72Å; K34-V386 HydrophobicContact CD-CG2 4.28Å; I35-V386 HydrophobicContact CD1-CG1 4.26Å; I35-V386 HydrophobicContact CG1-CG1 4.08Å; I35-V386 HydrophobicContact CG1-CG2 4.36Å; I38-V386 HydrophobicContact CD1-CG2 4.06Å; M63-V386 HydrophobicContact CG-CB 3.87Å; M63-V386 HydrophobicContact CG-CG1 3.71Å; M63-V386 HydrophobicContact SD-CB 4.15Å; M63-V386 HydrophobicContact SD-CG1 3.59Å; M63-V386 VanDerWaalsContact SD-CG1 3.59Å; V67-V386 HydrophobicContact CG2-CG1 3.56Å; L382-V386 WeakPolarHBondContact O-CG2 3.42Å; L382-V386 PolarHBondContact O-N 3.44Å; S383-V386 PolarHBondContact O-N 2.59Å; G384-V386 VanDerWaalsContact C-N 3.31Å; G384-V386 PolarHBondContact O-N 3.25Å; V386-F388 VanDerWaalsContact C-N 3.3Å; V386-F388 PolarHBondContact O-N 3Å; V386-L389 PolarHBondContact O-N 3.09Å; V386-L389 VanDerWaalsContact O-N 3.15Å; V386-V390 WeakPolarHBondContact O-CG2 3.49Å; V386-V390 PolarHBondContact O-N 3.46Å |
| 387 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -46.9 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | H66 Y335 S383 G384 L389 V390 D391 P401 | H66-C387 PolarHBondContact NE2-O 2.85Å; Y335-C387 PolarHBondContact OH-O 3.42Å; S383-C387 PolarHBondContact O-N 3.44Å; S383-C387 VanDerWaalsContact O-N 3.1Å; S383-C387 PolarHBondContact O-SG 2.74Å; G384-C387 PolarHBondContact O-N 2.89Å; C387-L389 VanDerWaalsContact C-N 3.33Å; C387-L389 PolarHBondContact O-N 3.19Å; C387-V390 PolarHBondContact O-N 2.75Å; C387-D391 PolarHBondContact O-N 2.93Å; C387-P401 HydrophobicContact CB-CG 3.89Å |
| 388 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 177 | 165.6 | -116.7 | 0 | 0 | 0 | 113.1 | A331 A334 Y335 L338 A357 I360 G384 T385 V386 V390 D391 L392 | A331-F388 HydrophobicContact CB-CB 3.85Å; A331-F388 HydrophobicContact CB-CD1 3.86Å; A331-F388 HydrophobicContact CB-CG 3.96Å; A334-F388 HydrophobicContact CB-CD2 4.11Å; A334-F388 HydrophobicContact CB-CE1 4.01Å; A334-F388 HydrophobicContact CB-CE2 3.37Å; A334-F388 HydrophobicContact CB-CZ 3.31Å; Y335-F388 HydrophobicContact CD2-CB 4.31Å; Y335-F388 HydrophobicContact CD2-CD2 4.25Å; Y335-F388 HydrophobicContact CE2-CB 3.57Å; Y335-F388 HydrophobicContact CE2-CD2 4.19Å; Y335-F388 HydrophobicContact CE2-CG 4.31Å; Y335-F388 VanDerWaalsContact OH-CA 3.23Å; Y335-F388 WeakPolarHBondContact OH-CA 3.15Å; Y335-F388 PolarHBondContact OH-N 3.08Å; L338-F388 HydrophobicContact CD1-CD2 3.95Å; L338-F388 HydrophobicContact CD1-CE2 3.91Å; L338-F388 HydrophobicContact CG-CE2 4.47Å; A357-F388 HydrophobicContact CB-CE1 3.74Å; A357-F388 HydrophobicContact CB-CZ 4.06Å; I360-F388 HydrophobicContact CD1-CD1 4.44Å; I360-F388 HydrophobicContact CD1-CE1 4.36Å; G384-F388 PolarHBondContact O-N 2.71Å; T385-F388 PolarHBondContact O-N 3.21Å; V386-F388 VanDerWaalsContact C-N 3.3Å; V386-F388 PolarHBondContact O-N 3Å; F388-V390 VanDerWaalsContact C-N 3.34Å; F388-D391 PolarHBondContact O-N 3.22Å; F388-L392 HydrophobicContact CZ-CD2 4.45Å; F388-L392 WeakPolarHBondContact O-CB 3.49Å; F388-L392 PolarHBondContact O-N 3.35Å |
| 389 | L | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.6 | -33.8 | -179.6 | -69.2 | 174.3 | 0 | 0 | 0 | 112.5 | V27 V31 K34 A357 F361 T385 V386 C387 | V27-L389 HydrophobicContact CG1-CB 4.08Å; V27-L389 HydrophobicContact CG1-CD2 4.45Å; V31-L389 HydrophobicContact CG2-CB 3.67Å; V31-L389 HydrophobicContact CG2-CD1 4.22Å; K34-L389 HydrophobicContact CD-CD1 4.22Å; A357-L389 HydrophobicContact CB-CD2 3.79Å; F361-L389 HydrophobicContact CE2-CD1 4.33Å; F361-L389 HydrophobicContact CE2-CD2 4.35Å; F361-L389 HydrophobicContact CZ-CD1 3.84Å; T385-L389 HydrophobicContact CG2-CD1 4.3Å; T385-L389 VanDerWaalsContact O-CG 3.3Å; T385-L389 WeakPolarHBondContact O-CG 3.46Å; T385-L389 PolarHBondContact O-N 3.46Å; V386-L389 PolarHBondContact O-N 3.09Å; V386-L389 VanDerWaalsContact O-N 3.15Å; C387-L389 VanDerWaalsContact C-N 3.33Å; C387-L389 PolarHBondContact O-N 3.19Å |
| 390 | V | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.7 | -46.4 | 173.1 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | V31 V67 C70 F73 V386 C387 F388 L392 L393 Q394 | V31-V390 HydrophobicContact CG1-CG2 4.17Å; V67-V390 HydrophobicContact CB-CG2 4.48Å; V67-V390 HydrophobicContact CG1-CG2 4.46Å; V67-V390 HydrophobicContact CG2-CG2 3.91Å; C70-V390 HydrophobicContact CB-CG1 3.65Å; F73-V390 HydrophobicContact CE2-CG2 4.05Å; F73-V390 HydrophobicContact CZ-CG2 4.47Å; V386-V390 WeakPolarHBondContact O-CG2 3.49Å; V386-V390 PolarHBondContact O-N 3.46Å; C387-V390 PolarHBondContact O-N 2.75Å; F388-V390 VanDerWaalsContact C-N 3.34Å; V390-L392 VanDerWaalsContact C-N 3.25Å; V390-L392 PolarHBondContact O-N 2.89Å; V390-L393 VanDerWaalsContact O-CB 3.31Å; V390-L393 WeakPolarHBondContact O-CB 3.27Å; V390-L393 PolarHBondContact O-N 3.19Å; V390-Q394 PolarHBondContact O-N 3.15Å |
| 391 | D | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 5% | 0.053 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -30.5 | 178 | -93.5 | 1.1 | 0 | 0 | 0 | 113 | H66 Y335 L338 C387 F388 L393 Q394 P395 E399 | H66-D391 IonicContact CE1-OD1 2.73Å; H66-D391 PolarHBondContact CE1-OD1 3.21Å; H66-D391 IonicContact CE1-OD2 2.62Å; H66-D391 IonicContact NE2-OD1 2.88Å; H66-D391 PolarHBondContact NE2-OD1 3.15Å; Y335-D391 HydrophobicContact CE1-CB 4.15Å; Y335-D391 WeakPolarHBondContact CE1-OD2 3.29Å; L338-D391 HydrophobicContact CD1-CB 4.19Å; C387-D391 PolarHBondContact O-N 2.93Å; F388-D391 PolarHBondContact O-N 3.22Å; D391-L393 PolarHBondContact O-N 2.75Å; D391-Q394 CarbonylContact O-C 3.35Å; D391-Q394 PolarHBondContact O-N 2.99Å; D391-Q394 VanDerWaalsContact O-N 3.08Å; D391-P395 WeakPolarHBondContact O-CA 3.45Å; D391-E399 PolarHBondContact OD2-N 3.38Å |
| 392 | L | 95.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.7 | -28.4 | 172.5 | -173.7 | 63.9 | 0 | 0 | 0 | 112.7 | L338 L350 A353 Q354 A357 F388 V390 Q394 | L338-L392 HydrophobicContact CD2-CD1 4.05Å; L350-L392 HydrophobicContact CD1-CD1 3.8Å; A353-L392 HydrophobicContact CB-CD1 3.76Å; Q354-L392 HydrophobicContact CG-CD1 4.06Å; Q354-L392 HydrophobicContact CG-CD2 4.33Å; A357-L392 HydrophobicContact CB-CD2 3.6Å; F388-L392 HydrophobicContact CZ-CD2 4.45Å; F388-L392 WeakPolarHBondContact O-CB 3.49Å; F388-L392 PolarHBondContact O-N 3.35Å; V390-L392 VanDerWaalsContact C-N 3.25Å; V390-L392 PolarHBondContact O-N 2.89Å; L392-Q394 VanDerWaalsContact C-N 3.3Å |
| 393 | L | 93.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 20 Ų | 20 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -77.3 | -17.6 | 174.7 | -64.5 | 172.5 | 0 | 0 | 0 | 112.7 | A24 V27 L28 L72 V390 D391 | A24-L393 HydrophobicContact CB-CD2 4.34Å; V27-L393 HydrophobicContact CB-CD1 4.3Å; V27-L393 HydrophobicContact CB-CD2 3.94Å; V27-L393 HydrophobicContact CB-CG 4.36Å; V27-L393 HydrophobicContact CG1-CD1 4.01Å; V27-L393 HydrophobicContact CG1-CD2 4.22Å; V27-L393 HydrophobicContact CG1-CG 4.1Å; V27-L393 HydrophobicContact CG2-CD2 4.18Å; L28-L393 HydrophobicContact CD1-CD1 4.37Å; L28-L393 HydrophobicContact CG-CD1 4.46Å; L72-L393 HydrophobicContact CD1-CB 3.96Å; L72-L393 HydrophobicContact CD1-CD1 3.9Å; L72-L393 HydrophobicContact CD1-CG 4.37Å; V390-L393 VanDerWaalsContact O-CB 3.31Å; V390-L393 WeakPolarHBondContact O-CB 3.27Å; V390-L393 PolarHBondContact O-N 3.19Å; D391-L393 PolarHBondContact O-N 2.75Å |
| 394 | Q | 94.2 | Very high | 96.2 | Very high | 61 Ų | 61 | 20.1 Ų | 20.1 | 29% | 0.285 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -132.5 | 60.1 | 179.9 | -58.1 | -167.1 | -84.3 | 0 | 0 | 111.1 | C70 P71 V390 D391 L392 D396 Q397 S398 | C70-Q394 PolarHBondContact SG-OE1 3.46Å; P71-Q394 VanDerWaalsContact CD-NE2 3.34Å; V390-Q394 PolarHBondContact O-N 3.15Å; D391-Q394 CarbonylContact O-C 3.35Å; D391-Q394 PolarHBondContact O-N 2.99Å; D391-Q394 VanDerWaalsContact O-N 3.08Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; Q394-D396 VanDerWaalsContact C-N 3.25Å; Q394-D396 PolarHBondContact O-N 2.77Å; Q394-D396 VanDerWaalsContact O-N 3.11Å; Q394-Q397 PolarHBondContact O-N 3.27Å; Q394-S398 PolarHBondContact O-N 3.01Å; Q394-S398 VanDerWaalsContact O-N 3.14Å |
| 395 | P | 94.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 20.2 Ų | 20.2 | 12% | 0.123 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -63.6 | -28.5 | -165.2 | 27.5 | -36.8 | 0 | 0 | 0 | 113.5 | L338 Y341 R342 L350 D391 Q397 S398 | L338-P395 HydrophobicContact CD2-CB 4.34Å; Y341-P395 HydrophobicContact CD1-CB 3.81Å; Y341-P395 HydrophobicContact CE1-CB 3.67Å; Y341-P395 HydrophobicContact CE1-CG 3.98Å; R342-P395 WeakPolarHBondContact CD-O 3.19Å; R342-P395 VanDerWaalsContact CG-O 3.25Å; R342-P395 WeakPolarHBondContact CG-O 3.29Å; L350-P395 HydrophobicContact CD1-CB 3.84Å; L350-P395 HydrophobicContact CD1-CG 4.13Å; L350-P395 HydrophobicContact CD2-CG 4.22Å; D391-P395 WeakPolarHBondContact O-CA 3.45Å; P395-Q397 PolarHBondContact O-N 3.25Å; P395-S398 PolarHBondContact O-N 2.9Å; P395-S398 PolarHBondContact O-OG 3.06Å |
| 396 | D | 95.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 23 Ų | 23 | 54% | 0.535 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -67.1 | -21.9 | 176.8 | -63.2 | -44.5 | 0 | 0 | 0 | 113.9 | Y341 R342 Q394 | Y341-D396 WeakPolarHBondContact CE1-OD1 3.24Å; Y341-D396 PolarHBondContact OH-OD1 3.09Å; R342-D396 VanDerWaalsContact CZ-O 3.31Å; R342-D396 PolarHBondContact NE-O 3.46Å; R342-D396 PolarHBondContact NH2-O 3.2Å; Q394-D396 VanDerWaalsContact C-N 3.25Å; Q394-D396 PolarHBondContact O-N 2.77Å; Q394-D396 VanDerWaalsContact O-N 3.11Å |
| 397 | Q | 94.4 | Very high | 95.2 | Very high | 135 Ų | 135 | 27 Ų | 27 | 63% | 0.631 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -109.6 | -3.5 | 179.5 | -58.1 | -57.1 | -34.1 | 0 | 0 | 113 | Q394 P395 | Q394-Q397 PolarHBondContact O-N 3.27Å; P395-Q397 PolarHBondContact O-N 3.25Å |
| 398 | S | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | trans | -59.4 | 141.1 | -175.7 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | R342 Q394 P395 | R342-S398 WeakPolarHBondContact CD-O 3.39Å; R342-S398 PolarHBondContact NH1-O 2.9Å; Q394-S398 PolarHBondContact O-N 3.01Å; Q394-S398 VanDerWaalsContact O-N 3.14Å; P395-S398 PolarHBondContact O-N 2.9Å; P395-S398 PolarHBondContact O-OG 3.06Å | ||
| 399 | E | 95.2 | Very high | 94.9 | Very high | 27 Ų | 27 | 29.8 Ų | 29.8 | 13% | 0.126 | 15% | 0.152 | C | C | . | . | trans | -155.7 | 136 | 180 | -169.3 | 155.7 | -135.1 | 0 | 0 | 110.5 | Q173 D391 S404 V405 F406 | Q173-E399 PolarHBondContact NE2-OE2 2.89Å; D391-E399 PolarHBondContact OD2-N 3.38Å; E399-S404 VanDerWaalsContact CD-OG 3.22Å; E399-S404 WeakPolarHBondContact OE1-CA 3.31Å; E399-S404 WeakPolarHBondContact OE1-CB 3.14Å; E399-S404 PolarHBondContact OE1-OG 3.09Å; E399-S404 PolarHBondContact OE2-OG 3.15Å; E399-V405 PolarHBondContact OE1-N 2.91Å; E399-F406 PolarHBondContact OE1-N 2.98Å | ||
| 400 | F | 98.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -55.7 | 127.7 | 177.6 | -170.6 | -78.4 | 0 | 0 | 0 | 109.6 | W280 Y289 I326 Y335 F379 L402 F403 | W280-F400 HydrophobicContact CB-CE2 4.16Å; W280-F400 HydrophobicContact CB-CZ 4.26Å; W280-F400 AromaticContact CD1-CE2 3.66Å; W280-F400 AromaticContact CD1-CZ 3.72Å; W280-F400 HydrophobicContact CD2-CE1 4.03Å; W280-F400 HydrophobicContact CD2-CE2 4.27Å; W280-F400 AromaticContact CD2-CZ 3.61Å; W280-F400 HydrophobicContact CD2-CZ 3.61Å; W280-F400 AromaticContact CE2-CE1 3.66Å; W280-F400 AromaticContact CE2-CZ 3.73Å; W280-F400 HydrophobicContact CE3-CZ 4.22Å; W280-F400 HydrophobicContact CG-CE1 4.34Å; W280-F400 AromaticContact CG-CE2 3.77Å; W280-F400 HydrophobicContact CG-CE2 3.77Å; W280-F400 AromaticContact CG-CZ 3.61Å; W280-F400 HydrophobicContact CG-CZ 3.61Å; W280-F400 AromaticContact CZ2-CE1 3.96Å; W280-F400 HydrophobicContact CZ2-CE1 3.96Å; W280-F400 HydrophobicContact CZ2-CZ 4.4Å; W280-F400 AromaticContact NE1-CE1 3.77Å; W280-F400 AromaticContact NE1-CZ 3.78Å; Y289-F400 HydrophobicContact CD1-CB 4.5Å; Y289-F400 HydrophobicContact CE1-CB 3.49Å; Y289-F400 VanDerWaalsContact CE1-CB 3.49Å; Y289-F400 HydrophobicContact CE1-CG 4.23Å; Y289-F400 AromaticContact CZ-CD2 3.97Å; Y289-F400 WeakPolarHBondContact OH-CD2 3.27Å; I326-F400 HydrophobicContact CB-CE2 4Å; I326-F400 HydrophobicContact CB-CZ 3.89Å; I326-F400 HydrophobicContact CD1-CE1 4.19Å; I326-F400 HydrophobicContact CD1-CZ 4.09Å; I326-F400 HydrophobicContact CG1-CZ 4.03Å; I326-F400 WeakPolarHBondContact O-CE2 3.35Å; I326-F400 WeakPolarHBondContact O-CZ 3.34Å; Y335-F400 HydrophobicContact CD1-CB 4.39Å; Y335-F400 AromaticContact CD2-CD2 3.91Å; Y335-F400 HydrophobicContact CD2-CD2 3.91Å; Y335-F400 HydrophobicContact CD2-CE2 4.32Å; Y335-F400 AromaticContact CG-CD2 3.88Å; Y335-F400 HydrophobicContact CG-CD2 3.88Å; F379-F400 AromaticContact CE1-CE1 3.95Å; F379-F400 HydrophobicContact CE1-CE1 3.95Å; F379-F400 HydrophobicContact CE1-CZ 4.41Å; F379-F400 HydrophobicContact CZ-CE1 4.46Å; F400-L402 PolarHBondContact O-N 3.11Å; F400-F403 HydrophobicContact CD1-CB 3.84Å; F400-F403 PolarHBondContact O-N 2.64Å; F400-F403 VanDerWaalsContact O-N 3.09Å | ||
| 401 | P | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 124.1 | -174.4 | -35.7 | 39.1 | 0 | 0 | 0 | 112.5 | Y62 I326 Y335 C387 F403 | Y62-P401 HydrophobicContact CE1-CB 3.8Å; I326-P401 HydrophobicContact CD1-CB 3.93Å; I326-P401 HydrophobicContact CD1-CG 3.8Å; Y335-P401 HydrophobicContact CE2-CG 4.43Å; Y335-P401 VanDerWaalsContact CZ-CD 3.47Å; Y335-P401 WeakPolarHBondContact OH-CD 3.36Å; C387-P401 HydrophobicContact CB-CG 3.89Å; P401-F403 PolarHBondContact O-N 3.02Å; P401-F403 VanDerWaalsContact O-N 3.13Å |
| 402 | L | 97.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 15 | 173.5 | -55.7 | 163.6 | 0 | 0 | 0 | 115.4 | L53 Y62 F107 L108 M120 C166 V170 L378 F379 F400 | L53-L402 HydrophobicContact CB-CD1 4.3Å; L53-L402 HydrophobicContact CD1-CD1 3.6Å; L53-L402 HydrophobicContact CD1-CD2 4.48Å; Y62-L402 HydrophobicContact CD2-CD2 3.77Å; Y62-L402 HydrophobicContact CD2-CG 4.23Å; Y62-L402 HydrophobicContact CE1-CG 4.31Å; Y62-L402 HydrophobicContact CE2-CD2 3.48Å; Y62-L402 VanDerWaalsContact CE2-CD2 3.48Å; Y62-L402 HydrophobicContact CE2-CG 3.91Å; Y62-L402 HydrophobicContact CG-CD1 4.43Å; Y62-L402 HydrophobicContact CG-CD2 4.48Å; F107-L402 HydrophobicContact CZ-CB 3.91Å; L108-L402 HydrophobicContact CD2-CD1 4.29Å; M120-L402 HydrophobicContact CE-CD2 4.5Å; C166-L402 PolarHBondContact SG-O 3.12Å; V170-L402 HydrophobicContact CG1-CD2 4.3Å; L378-L402 HydrophobicContact CD2-CD1 3.8Å; F379-L402 HydrophobicContact CE2-CD1 4.35Å; F400-L402 PolarHBondContact O-N 3.11Å |
| 403 | F | 97.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | trans | -136.7 | 75.9 | -178.1 | -168.3 | -122.4 | 0 | 0 | 0 | 111.9 | L157 A221 Q230 M231 W280 Y289 F400 P401 | L157-F403 HydrophobicContact CD1-CD2 4.02Å; L157-F403 HydrophobicContact CD1-CE2 3.97Å; L157-F403 HydrophobicContact CD2-CD2 3.75Å; L157-F403 HydrophobicContact CD2-CE2 3.71Å; L157-F403 HydrophobicContact CD2-CZ 4.45Å; L157-F403 HydrophobicContact CG-CE2 4.49Å; A221-F403 HydrophobicContact CB-CE1 4.25Å; A221-F403 HydrophobicContact CB-CZ 4.22Å; Q230-F403 VanDerWaalsContact CD-CZ 3.46Å; M231-F403 HydrophobicContact CE-CE2 4.42Å; W280-F403 HydrophobicContact CZ2-CD1 4.3Å; W280-F403 HydrophobicContact CZ2-CG 4.3Å; W280-F403 AromaticContact NE1-CD1 3.62Å; W280-F403 AromaticContact NE1-CE1 3.85Å; Y289-F403 AromaticContact CD1-CD1 3.84Å; Y289-F403 HydrophobicContact CD1-CD1 3.84Å; Y289-F403 HydrophobicContact CD1-CE1 4.06Å; Y289-F403 HydrophobicContact CD2-CE1 4.5Å; Y289-F403 HydrophobicContact CE1-CD1 4.48Å; Y289-F403 HydrophobicContact CG-CD1 4.03Å; Y289-F403 AromaticContact CG-CE1 3.8Å; Y289-F403 HydrophobicContact CG-CE1 3.8Å; F400-F403 HydrophobicContact CD1-CB 3.84Å; F400-F403 PolarHBondContact O-N 2.64Å; F400-F403 VanDerWaalsContact O-N 3.09Å; P401-F403 PolarHBondContact O-N 3.02Å; P401-F403 VanDerWaalsContact O-N 3.13Å | ||
| 404 | S | 89.8 | Confident | 94.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -77.6 | 143.6 | -168.7 | -177.4 | 0 | 0 | 0 | 0 | 114.6 | Q230 E399 V407 | Q230-S404 PolarHBondContact NE2-O 2.98Å; E399-S404 VanDerWaalsContact CD-OG 3.22Å; E399-S404 WeakPolarHBondContact OE1-CA 3.31Å; E399-S404 WeakPolarHBondContact OE1-CB 3.14Å; E399-S404 PolarHBondContact OE1-OG 3.09Å; E399-S404 PolarHBondContact OE2-OG 3.15Å; S404-V407 VanDerWaalsContact OG-CG1 3.3Å; S404-V407 WeakPolarHBondContact OG-CG1 3.28Å; S404-V407 WeakPolarHBondContact OG-CG2 3.01Å | ||
| 405 | V | 94.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | trans | -119.2 | -37.5 | 178 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | Y289 A292 K293 L296 L339 E399 V407 | Y289-V405 HydrophobicContact CD1-CG2 3.66Å; Y289-V405 HydrophobicContact CG-CG2 4.34Å; A292-V405 HydrophobicContact CB-CG1 3.88Å; K293-V405 HydrophobicContact CB-CG1 4.27Å; K293-V405 WeakPolarHBondContact CD-O 3.05Å; K293-V405 PolarHBondContact NZ-O 3.47Å; L296-V405 HydrophobicContact CD1-CG1 3.78Å; L339-V405 HydrophobicContact CD1-CG1 4.35Å; E399-V405 PolarHBondContact OE1-N 2.91Å; V405-V407 VanDerWaalsContact C-N 3.3Å; V405-V407 PolarHBondContact O-N 2.86Å | ||
| 406 | F | 93.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 25% | 0.254 | 18% | 0.181 | S | C | . | . | trans | -88.5 | 12.8 | -165.6 | -65.6 | -83.4 | 0 | 0 | 0 | 115.2 | L296 L339 R342 L343 E399 | L296-F406 HydrophobicContact CD1-CD1 3.7Å; L296-F406 HydrophobicContact CD1-CE1 4.06Å; L296-F406 HydrophobicContact CD1-CG 4.36Å; L339-F406 HydrophobicContact CD1-CE2 3.73Å; L339-F406 HydrophobicContact CD1-CZ 3.76Å; R342-F406 HydrophobicContact CB-CE1 3.88Å; R342-F406 HydrophobicContact CB-CE2 4.01Å; R342-F406 HydrophobicContact CB-CZ 3.39Å; R342-F406 HydrophobicContact CG-CZ 4.4Å; L343-F406 HydrophobicContact CD2-CE1 3.9Å; L343-F406 HydrophobicContact CD2-CZ 4.23Å; L343-F406 HydrophobicContact CG-CE1 4.35Å; L343-F406 HydrophobicContact CG-CZ 4.26Å; E399-F406 PolarHBondContact OE1-N 2.98Å | ||
| 407 | V | 83.4 | Confident | 94.3 | Very high | 84 Ų | 84 | 29.6 Ų | 29.6 | 51% | 0.509 | 15% | 0.149 | S | C | . | . | trans | -101.6 | 0 | -175 | -68.7 | 0 | 0 | 0 | 0 | 114.9 | L169 Q173 K293 S404 V405 | L169-V407 HydrophobicContact CD1-CB 4.33Å; L169-V407 HydrophobicContact CD1-CG2 3.68Å; L169-V407 HydrophobicContact CD2-CG2 3.5Å; L169-V407 VanDerWaalsContact CD2-CG2 3.5Å; L169-V407 HydrophobicContact CG-CG2 3.57Å; Q173-V407 HydrophobicContact CB-CG1 4.03Å; Q173-V407 HydrophobicContact CG-CG1 3.64Å; K293-V407 PolarHBondContact NZ-O 3.2Å; S404-V407 VanDerWaalsContact OG-CG1 3.3Å; S404-V407 WeakPolarHBondContact OG-CG1 3.28Å; S404-V407 WeakPolarHBondContact OG-CG2 3.01Å; V405-V407 VanDerWaalsContact C-N 3.3Å; V405-V407 PolarHBondContact O-N 2.86Å |
Retrieved 407 of 407 residues in 3703.8 ms
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