| 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 | 43.7 | Very low | 34.5 | Very low | 39 Ų | 39 | 73.2 Ų | 73.2 | 19% | 0.192 | 42% | 0.419 | C | S | . | . | 0 | 131.4 | 0 | -75.1 | 173.7 | -140.1 | 0 | 0 | 106.7 | H3 I80 E108 I112 | M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.4Å; M1-I80 HydrophobicContact CE-CD1 3.87Å; M1-I80 HydrophobicContact CE-CG1 3.97Å; M1-I80 HydrophobicContact SD-CG2 4.16Å; M1-E108 HydrophobicContact CE-CB 3.86Å; M1-E108 WeakPolarHBondContact CE-OE2 3.42Å; M1-I112 HydrophobicContact CE-CD1 3.3Å; M1-I112 HydrophobicContact SD-CD1 4.28Å | |||
| 2 | E | 37.4 | Very low | 33.9 | Very low | 89 Ų | 89 | 71.3 Ų | 71.3 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | trans | -79 | 81.2 | -178.1 | -72.4 | -171.8 | 139.6 | 0 | 0 | 110.8 | T4 W170 | E2-T4 PolarHBondContact O-N 3.09Å; E2-W170 WeakPolarHBondContact OE1-CZ3 3.41Å | ||
| 3 | H | 43 | Very low | 33.5 | Very low | 16 Ų | 16 | 75.9 Ų | 75.9 | 7% | 0.074 | 45% | 0.453 | C | S | . | . | trans | -88.6 | 73.9 | 149.5 | -76.9 | -52.5 | 0 | 0 | 0 | 106.2 | M1 H5 D89 D268 N271 | M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.4Å; H3-H5 VanDerWaalsContact CB-CD2 3.48Å; H3-H5 WeakPolarHBondContact CB-CD2 3.09Å; H3-H5 AromaticContact CG-CD2 3.9Å; H3-H5 AromaticContact CG-NE2 3.75Å; H3-H5 AromaticContact ND1-CD2 3.86Å; H3-H5 AromaticContact ND1-NE2 3.22Å; H3-H5 PolarHBondContact ND1-NE2 3.05Å; H3-H5 PolarHBondContact O-N 3.47Å; H3-D89 WeakPolarHBondContact CB-OD2 3.37Å; H3-D268 IonicContact CE1-OD1 3.93Å; H3-D268 IonicContact ND1-OD1 3.72Å; H3-N271 PolarHBondContact CE1-ND2 3.2Å | ||
| 4 | T | 33 | Very low | 32.9 | Very low | 49 Ų | 49 | 77.8 Ų | 77.8 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 55.3 | 172.6 | 2.3 | 0 | 0 | 0 | 0 | 109.7 | E2 | E2-T4 PolarHBondContact O-N 3.09Š|
| 5 | H | 40.5 | Very low | 32.4 | Very low | 40 Ų | 40 | 77.8 Ų | 77.8 | 19% | 0.185 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -33.9 | 179.7 | -68.7 | -51.7 | 0 | 0 | 0 | 111 | H3 F85 D89 D268 | H3-H5 VanDerWaalsContact CB-CD2 3.48Å; H3-H5 WeakPolarHBondContact CB-CD2 3.09Å; H3-H5 AromaticContact CG-CD2 3.9Å; H3-H5 AromaticContact CG-NE2 3.75Å; H3-H5 AromaticContact ND1-CD2 3.86Å; H3-H5 AromaticContact ND1-NE2 3.22Å; H3-H5 PolarHBondContact ND1-NE2 3.05Å; H3-H5 PolarHBondContact O-N 3.47Å; H5-F85 AromaticContact CD2-CE2 3.93Å; H5-F85 AromaticContact NE2-CE2 3.96Å; H5-D89 IonicContact CD2-OD2 3.82Å; H5-D268 IonicContact CE1-OD1 3.41Å; H5-D268 PolarHBondContact CE1-OD1 3.49Å; H5-D268 IonicContact CE1-OD2 3.73Å; H5-D268 IonicContact NE2-OD1 3.59Å |
| 6 | A | 33 | Very low | 32 | Very low | 33 Ų | 33 | 84.1 Ų | 84.1 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -95.4 | -34.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | L8 A9 | A6-L8 VanDerWaalsContact C-N 3.32Å; A6-L8 PolarHBondContact O-N 3.49Å; A6-A9 PolarHBondContact O-N 2.85Å |
| 7 | H | 33.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 92.6 Ų | 92.6 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14.9 | -166.7 | -71.5 | -71.9 | 0 | 0 | 0 | 115.6 | A9 | H7-A9 VanDerWaalsContact C-N 3.3Š|
| 8 | L | 30.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 89.4 Ų | 89.4 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.3 | 169.7 | -78.3 | 164 | 0 | 0 | 0 | 113.2 | A6 A22 | A6-L8 VanDerWaalsContact C-N 3.32Å; A6-L8 PolarHBondContact O-N 3.49Å; L8-A22 HydrophobicContact CB-CB 4.16Å; L8-A22 HydrophobicContact CD1-CB 3.36Å; L8-A22 HydrophobicContact CG-CB 4.37Å |
| 9 | A | 28.8 | Very low | 30.9 | Very low | 49 Ų | 49 | 92.4 Ų | 92.4 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -23.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A6 H7 N11 S12 | A6-A9 PolarHBondContact O-N 2.85Å; H7-A9 VanDerWaalsContact C-N 3.3Å; A9-N11 PolarHBondContact O-N 3.49Å; A9-N11 VanDerWaalsContact O-N 3.1Å; A9-S12 PolarHBondContact O-N 3.44Å; A9-S12 VanDerWaalsContact O-N 3.09Å |
| 10 | A | 28.6 | Very low | 31 | Very low | 84 Ų | 84 | 91.5 Ų | 91.5 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 11 | N | 27.5 | Very low | 31.4 | Very low | 174 Ų | 174 | 89.8 Ų | 89.8 | 93% | 0.93 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 10.5 | 176.1 | -92.2 | -1.6 | 0 | 0 | 0 | 115.1 | A9 | A9-N11 PolarHBondContact O-N 3.49Å; A9-N11 VanDerWaalsContact O-N 3.1Å |
| 12 | S | 27.6 | Very low | 31.6 | Very low | 50 Ų | 50 | 89 Ų | 89 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | trans | -136.1 | 121.5 | 169.9 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | A9 L14 | A9-S12 PolarHBondContact O-N 3.44Å; A9-S12 VanDerWaalsContact O-N 3.09Å; S12-L14 PolarHBondContact O-N 3.32Å | ||
| 13 | S | 28.5 | Very low | 32.3 | Very low | 132 Ų | 132 | 87.3 Ų | 87.3 | 92% | 0.923 | 51% | 0.514 | S | S | * | . | trans | -61.8 | 47.5 | 162.8 | 47 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 14 | L | 25.9 | Very low | 33.1 | Very low | 102 Ų | 102 | 87.1 Ų | 87.1 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | trans | -105 | 99.5 | -178.7 | -117.6 | 68.3 | 0 | 0 | 0 | 108 | S12 S18 | S12-L14 PolarHBondContact O-N 3.32Å; L14-S18 VanDerWaalsContact CD2-CB 3.47Å; L14-S18 WeakPolarHBondContact CD2-OG 3.49Å; L14-S18 WeakPolarHBondContact CG-OG 3.4Å | ||
| 15 | S | 24.7 | Very low | 35 | Very low | 78 Ų | 78 | 86.7 Ų | 86.7 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | trans | -31.6 | 140.6 | 158.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | W17 S18 | S15-W17 PolarHBondContact O-N 3.11Å; S15-S18 PolarHBondContact O-N 3.35Å | ||
| 16 | W | 26.6 | Very low | 36.9 | Very low | 178 Ų | 178 | 86.9 Ų | 86.9 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39 | 1.4 | 175.4 | -64.9 | 81.8 | 0 | 0 | 0 | 119 | F27 | W16-F27 HydrophobicContact CE3-CE1 4.43Å; W16-F27 AromaticContact CE3-CZ 3.98Å; W16-F27 HydrophobicContact CE3-CZ 3.98Å; W16-F27 HydrophobicContact CZ3-CE1 4.15Å; W16-F27 HydrophobicContact CZ3-CZ 4.16Å |
| 17 | W | 22.6 | Very low | 39.3 | Very low | 229 Ų | 229 | 91.4 Ų | 91.4 | 87% | 0.867 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 12.3 | -173.7 | -69.5 | 84.1 | 0 | 0 | 0 | 114.9 | S15 | S15-W17 PolarHBondContact O-N 3.11Š|
| 18 | S | 24.5 | Very low | 42 | Very low | 36 Ų | 36 | 89.5 Ų | 89.5 | 25% | 0.252 | 54% | 0.536 | S | S | . | . | trans | -90.8 | 123.5 | 176.4 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | L14 S15 G20 S21 | L14-S18 VanDerWaalsContact CD2-CB 3.47Å; L14-S18 WeakPolarHBondContact CD2-OG 3.49Å; L14-S18 WeakPolarHBondContact CG-OG 3.4Å; S15-S18 PolarHBondContact O-N 3.35Å; S18-G20 PolarHBondContact O-N 3.42Å; S18-S21 PolarHBondContact O-N 3.34Å; S18-S21 PolarHBondContact O-OG 3.03Å; S18-S21 VanDerWaalsContact O-OG 3.05Å | ||
| 19 | P | 27.9 | Very low | 44.8 | Very low | 145 Ų | 145 | 84.3 Ų | 84.3 | 94% | 0.942 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 17.4 | -179.5 | -16.1 | 29.9 | 0 | 0 | 0 | 115.8 | ||
| 20 | G | 32.2 | Very low | 47.6 | Very low | 75 Ų | 75 | 83.1 Ų | 83.1 | 77% | 0.773 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -5.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S18 | S18-G20 PolarHBondContact O-N 3.42Š|
| 21 | S | 39.9 | Very low | 50.6 | Low | 55 Ų | 55 | 83.2 Ų | 83.2 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -78.3 | 136.9 | 173.8 | 33.6 | 0 | 0 | 0 | 0 | 110.1 | S18 C23 | S18-S21 PolarHBondContact O-N 3.34Å; S18-S21 PolarHBondContact O-OG 3.03Å; S18-S21 VanDerWaalsContact O-OG 3.05Å; S21-C23 PolarHBondContact O-N 3.06Å |
| 22 | A | 47.3 | Very low | 53.8 | Low | 22 Ų | 22 | 77.6 Ų | 77.6 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -63.5 | 25.4 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | L8 G24 | L8-A22 HydrophobicContact CB-CB 4.16Å; L8-A22 HydrophobicContact CD1-CB 3.36Å; L8-A22 HydrophobicContact CG-CB 4.37Å; A22-G24 PolarHBondContact O-N 3.33Å |
| 23 | C | 52 | Low | 56.9 | Low | 55 Ų | 55 | 75.2 Ų | 75.2 | 37% | 0.372 | 44% | 0.438 | S | S | . | . | trans | -90.9 | 80.9 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | S21 L25 G26 | S21-C23 PolarHBondContact O-N 3.06Å; C23-L25 PolarHBondContact O-N 3.24Å; C23-L25 VanDerWaalsContact O-N 3.1Å; C23-G26 PolarHBondContact O-N 2.95Å | ||
| 24 | G | 60 | Low | 60.1 | Low | 12 Ų | 12 | 71 Ų | 71 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -38.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | A22 W261 I265 | A22-G24 PolarHBondContact O-N 3.33Å; G24-W261 PolarHBondContact O-NE1 3.46Å; G24-I265 WeakPolarHBondContact O-CD1 3.33Å |
| 25 | L | 73.2 | Confident | 63.4 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 5.1 | -176.9 | -87.4 | 145.3 | 0 | 0 | 0 | 114.9 | C23 F27 V28 P29 I265 D268 I269 | C23-L25 PolarHBondContact O-N 3.24Å; C23-L25 VanDerWaalsContact O-N 3.1Å; L25-F27 PolarHBondContact O-N 3.09Å; L25-V28 HydrophobicContact CB-CB 4.2Å; L25-V28 HydrophobicContact CD2-CB 4.02Å; L25-V28 HydrophobicContact CD2-CG1 3.98Å; L25-V28 HydrophobicContact CD2-CG2 4.31Å; L25-V28 WeakPolarHBondContact O-CB 3.25Å; L25-V28 VanDerWaalsContact O-CG2 3.29Å; L25-V28 WeakPolarHBondContact O-CG2 3.33Å; L25-V28 PolarHBondContact O-N 3.18Å; L25-V28 VanDerWaalsContact O-N 3.11Å; L25-P29 HydrophobicContact CB-CG 3.95Å; L25-I265 HydrophobicContact CD1-CB 4.36Å; L25-I265 HydrophobicContact CD1-CG1 4.38Å; L25-I265 HydrophobicContact CD1-CG2 4.04Å; L25-I265 HydrophobicContact CG-CG1 4.23Å; L25-I265 HydrophobicContact CG-CG2 4.32Å; L25-D268 HydrophobicContact CD1-CB 3.39Å; L25-I269 HydrophobicContact CD1-CG1 4.21Å |
| 26 | G | 79.9 | Confident | 66.7 | Low | 45 Ų | 45 | 67.7 Ų | 67.7 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -125.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C23 V28 P29 | C23-G26 PolarHBondContact O-N 2.95Å; G26-V28 VanDerWaalsContact C-N 3.32Å; G26-V28 PolarHBondContact O-N 2.71Å; G26-P29 VanDerWaalsContact O-CD 3.25Å; G26-P29 WeakPolarHBondContact O-CD 3.12Å |
| 27 | F | 84.5 | Confident | 70 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.1 | -179.5 | -68.3 | -80.5 | 0 | 0 | 0 | 114.9 | W16 L25 V30 V31 | W16-F27 HydrophobicContact CE3-CE1 4.43Å; W16-F27 AromaticContact CE3-CZ 3.98Å; W16-F27 HydrophobicContact CE3-CZ 3.98Å; W16-F27 HydrophobicContact CZ3-CE1 4.15Å; W16-F27 HydrophobicContact CZ3-CZ 4.16Å; L25-F27 PolarHBondContact O-N 3.09Å; F27-V30 PolarHBondContact O-N 2.64Å; F27-V31 PolarHBondContact O-N 2.73Å; F27-V31 VanDerWaalsContact O-N 3.1Å |
| 28 | V | 89.4 | Confident | 73.5 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -44 | -176 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | L25 G26 V30 V31 Y32 | L25-V28 HydrophobicContact CB-CB 4.2Å; L25-V28 HydrophobicContact CD2-CB 4.02Å; L25-V28 HydrophobicContact CD2-CG1 3.98Å; L25-V28 HydrophobicContact CD2-CG2 4.31Å; L25-V28 WeakPolarHBondContact O-CB 3.25Å; L25-V28 VanDerWaalsContact O-CG2 3.29Å; L25-V28 WeakPolarHBondContact O-CG2 3.33Å; L25-V28 PolarHBondContact O-N 3.18Å; L25-V28 VanDerWaalsContact O-N 3.11Å; G26-V28 VanDerWaalsContact C-N 3.32Å; G26-V28 PolarHBondContact O-N 2.71Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V28-V30 PolarHBondContact O-N 3.21Å; V28-V31 PolarHBondContact O-N 3.1Å; V28-Y32 WeakPolarHBondContact O-CB 3.29Å; V28-Y32 PolarHBondContact O-N 3.27Å |
| 29 | P | 88.3 | Confident | 76.9 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.2 | -20.6 | 34.1 | 0 | 0 | 0 | 112.5 | L25 G26 V31 Y32 Y33 F85 M272 | L25-P29 HydrophobicContact CB-CG 3.95Å; G26-P29 VanDerWaalsContact O-CD 3.25Å; G26-P29 WeakPolarHBondContact O-CD 3.12Å; P29-V31 PolarHBondContact O-N 3.35Å; P29-Y32 PolarHBondContact O-N 3.21Å; P29-Y33 HydrophobicContact CB-CD2 4.09Å; P29-Y33 HydrophobicContact CB-CE2 3.99Å; P29-Y33 WeakPolarHBondContact O-CB 3.43Å; P29-Y33 WeakPolarHBondContact O-CD2 3.32Å; P29-Y33 PolarHBondContact O-N 3.11Å; P29-F85 HydrophobicContact CB-CE2 4.03Å; P29-F85 HydrophobicContact CB-CZ 3.63Å; P29-M272 HydrophobicContact CB-CE 3.43Å; P29-M272 VanDerWaalsContact CB-CE 3.43Å; P29-M272 HydrophobicContact CG-CE 3.5Å; P29-M272 VanDerWaalsContact CG-CE 3.5Å |
| 30 | V | 88.5 | Confident | 80.2 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | F27 V28 Y32 S34 F85 L86 F90 | F27-V30 PolarHBondContact O-N 2.64Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V28-V30 PolarHBondContact O-N 3.21Å; V30-Y32 VanDerWaalsContact C-N 3.35Å; V30-S34 VanDerWaalsContact O-CB 3.22Å; V30-S34 WeakPolarHBondContact O-CB 3.12Å; V30-S34 PolarHBondContact O-N 3.47Å; V30-S34 PolarHBondContact O-OG 3.37Å; V30-F85 HydrophobicContact CB-CE1 4.49Å; V30-F85 HydrophobicContact CG2-CE1 4.1Å; V30-F85 HydrophobicContact CG2-CZ 4.16Å; V30-L86 HydrophobicContact CG1-CD2 4.5Å; V30-F90 HydrophobicContact CG1-CD1 4.31Å; V30-F90 HydrophobicContact CG1-CD2 4.11Å; V30-F90 HydrophobicContact CG1-CE1 4.23Å; V30-F90 HydrophobicContact CG1-CE2 4.03Å; V30-F90 HydrophobicContact CG1-CG 4.25Å; V30-F90 HydrophobicContact CG1-CZ 4.09Å; V30-F90 HydrophobicContact CG2-CD2 3.81Å; V30-F90 HydrophobicContact CG2-CE2 4.13Å; V30-F90 HydrophobicContact CG2-CG 4.39Å |
| 31 | V | 92.1 | Very high | 83.2 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.5 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | F27 V28 P29 L35 | F27-V31 PolarHBondContact O-N 2.73Å; F27-V31 VanDerWaalsContact O-N 3.1Å; V28-V31 PolarHBondContact O-N 3.1Å; P29-V31 PolarHBondContact O-N 3.35Å; V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 2.94Å |
| 32 | Y | 93.7 | Very high | 85.9 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -51.8 | -179.9 | 176.9 | -94.3 | 0 | 0 | 0 | 112.4 | V28 P29 V30 S34 L35 L36 M272 L276 | V28-Y32 WeakPolarHBondContact O-CB 3.29Å; V28-Y32 PolarHBondContact O-N 3.27Å; P29-Y32 PolarHBondContact O-N 3.21Å; V30-Y32 VanDerWaalsContact C-N 3.35Å; Y32-S34 PolarHBondContact O-N 2.94Å; Y32-L35 PolarHBondContact O-N 2.98Å; Y32-L36 HydrophobicContact CE1-CD2 4.11Å; Y32-L36 WeakPolarHBondContact O-CB 3.41Å; Y32-L36 PolarHBondContact O-N 3.41Å; Y32-M272 HydrophobicContact CD1-CB 3.95Å; Y32-M272 HydrophobicContact CD1-CG 3.51Å; Y32-M272 HydrophobicContact CD1-SD 3.98Å; Y32-M272 HydrophobicContact CD2-SD 4.37Å; Y32-M272 HydrophobicContact CE1-CB 3.51Å; Y32-M272 HydrophobicContact CE1-CG 3.61Å; Y32-M272 HydrophobicContact CE1-SD 4.46Å; Y32-M272 HydrophobicContact CE2-CB 4.4Å; Y32-M272 HydrophobicContact CG-CG 4.08Å; Y32-M272 HydrophobicContact CG-SD 3.92Å; Y32-M272 PolarHBondContact OH-O 3.39Å; Y32-L276 WeakPolarHBondContact OH-CB 3.3Å |
| 33 | Y | 93.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.2 | -35.2 | -178.3 | -73.3 | -57.5 | 0 | 0 | 0 | 112.3 | P29 L36 L37 V81 F85 M272 L275 | P29-Y33 HydrophobicContact CB-CD2 4.09Å; P29-Y33 HydrophobicContact CB-CE2 3.99Å; P29-Y33 WeakPolarHBondContact O-CB 3.43Å; P29-Y33 WeakPolarHBondContact O-CD2 3.32Å; P29-Y33 PolarHBondContact O-N 3.11Å; Y33-L36 HydrophobicContact CD1-CD2 4.2Å; Y33-L36 PolarHBondContact O-N 3.36Å; Y33-L37 WeakPolarHBondContact O-CB 3.36Å; Y33-L37 PolarHBondContact O-N 2.78Å; Y33-V81 HydrophobicContact CD1-CG1 4Å; Y33-V81 HydrophobicContact CD1-CG2 4.25Å; Y33-V81 HydrophobicContact CG-CG1 4.35Å; Y33-V81 WeakPolarHBondContact O-CG1 3.35Å; Y33-F85 AromaticContact CD2-CD1 3.32Å; Y33-F85 HydrophobicContact CD2-CD1 3.32Å; Y33-F85 AromaticContact CD2-CD2 3.65Å; Y33-F85 HydrophobicContact CD2-CD2 3.65Å; Y33-F85 AromaticContact CD2-CE1 3.34Å; Y33-F85 HydrophobicContact CD2-CE1 3.34Å; Y33-F85 AromaticContact CD2-CE2 3.6Å; Y33-F85 HydrophobicContact CD2-CE2 3.6Å; Y33-F85 AromaticContact CD2-CG 3.52Å; Y33-F85 HydrophobicContact CD2-CG 3.52Å; Y33-F85 AromaticContact CD2-CZ 3.48Å; Y33-F85 HydrophobicContact CD2-CZ 3.48Å; Y33-F85 VanDerWaalsContact CD2-CZ 3.48Å; Y33-F85 HydrophobicContact CE2-CD1 4.14Å; Y33-F85 AromaticContact CE2-CD2 3.58Å; Y33-F85 HydrophobicContact CE2-CD2 3.58Å; Y33-F85 HydrophobicContact CE2-CE1 4.18Å; Y33-F85 AromaticContact CE2-CE2 3.55Å; Y33-F85 HydrophobicContact CE2-CE2 3.55Å; Y33-F85 AromaticContact CE2-CG 3.9Å; Y33-F85 HydrophobicContact CE2-CG 3.9Å; Y33-F85 AromaticContact CE2-CZ 3.9Å; Y33-F85 HydrophobicContact CE2-CZ 3.9Å; Y33-F85 AromaticContact CG-CD1 3.68Å; Y33-F85 HydrophobicContact CG-CD1 3.68Å; Y33-F85 HydrophobicContact CG-CE1 4.03Å; Y33-F85 AromaticContact CG-CG 4Å; Y33-F85 HydrophobicContact CG-CG 4Å; Y33-M272 HydrophobicContact CE2-CG 4.45Å; Y33-L275 HydrophobicContact CD1-CD1 4.42Å; Y33-L275 HydrophobicContact CE1-CB 4.47Å; Y33-L275 HydrophobicContact CE1-CD1 3.43Å; Y33-L275 VanDerWaalsContact CE1-CD1 3.43Å |
| 34 | S | 94.2 | Very high | 90.4 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 170.9 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | V30 Y32 L37 C38 | V30-S34 VanDerWaalsContact O-CB 3.22Å; V30-S34 WeakPolarHBondContact O-CB 3.12Å; V30-S34 PolarHBondContact O-N 3.47Å; V30-S34 PolarHBondContact O-OG 3.37Å; Y32-S34 PolarHBondContact O-N 2.94Å; S34-L37 PolarHBondContact O-N 2.95Å; S34-C38 WeakPolarHBondContact O-CB 3.35Å; S34-C38 PolarHBondContact O-N 3.47Å; S34-C38 PolarHBondContact O-SG 3.08Å |
| 35 | L | 95.5 | Very high | 92.2 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 52% | 0.518 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.7 | -72.3 | 173.4 | 0 | 0 | 0 | 111.9 | V31 Y32 L37 C38 L39 | V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 2.94Å; Y32-L35 PolarHBondContact O-N 2.98Å; L35-L37 VanDerWaalsContact C-N 3.31Å; L35-L37 PolarHBondContact O-N 3.37Å; L35-C38 PolarHBondContact O-N 3.38Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.86Å |
| 36 | L | 95.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.7 | -170.1 | 70.8 | 0 | 0 | 0 | 111 | Y32 Y33 G40 L77 V81 L275 L276 A279 | Y32-L36 HydrophobicContact CE1-CD2 4.11Å; Y32-L36 WeakPolarHBondContact O-CB 3.41Å; Y32-L36 PolarHBondContact O-N 3.41Å; Y33-L36 HydrophobicContact CD1-CD2 4.2Å; Y33-L36 PolarHBondContact O-N 3.36Å; L36-G40 WeakPolarHBondContact O-CA 3.48Å; L36-G40 PolarHBondContact O-N 2.89Å; L36-L77 HydrophobicContact CD2-CD2 4.38Å; L36-L77 HydrophobicContact CG-CD2 4.11Å; L36-V81 HydrophobicContact CD2-CG2 3.95Å; L36-L275 HydrophobicContact CD2-CB 3.89Å; L36-L276 HydrophobicContact CD1-CD1 4.24Å; L36-A279 HydrophobicContact CD1-CB 3.47Å; L36-A279 VanDerWaalsContact CD1-CB 3.47Å; L36-A279 HydrophobicContact CG-CB 4.41Å |
| 37 | L | 95.6 | Very high | 94 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -50.2 | 175.9 | -171.8 | 67.3 | 0 | 0 | 0 | 111.5 | Y33 S34 L35 L39 L41 L77 V81 F82 L86 | Y33-L37 WeakPolarHBondContact O-CB 3.36Å; Y33-L37 PolarHBondContact O-N 2.78Å; S34-L37 PolarHBondContact O-N 2.95Å; L35-L37 VanDerWaalsContact C-N 3.31Å; L35-L37 PolarHBondContact O-N 3.37Å; L37-L39 VanDerWaalsContact C-N 3.28Å; L37-L39 PolarHBondContact O-N 3.38Å; L37-L41 HydrophobicContact CD1-CB 4.24Å; L37-L41 HydrophobicContact CD1-CD2 4.3Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 2.96Å; L37-L77 HydrophobicContact CD1-CB 4.3Å; L37-V81 HydrophobicContact CB-CG1 4.11Å; L37-F82 HydrophobicContact CD1-CB 4.25Å; L37-F82 HydrophobicContact CD2-CB 4.04Å; L37-F82 HydrophobicContact CD2-CD2 3.94Å; L37-F82 HydrophobicContact CD2-CG 4.36Å; L37-L86 HydrophobicContact CD2-CD1 3.8Å |
| 38 | C | 95.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.9 | -30.4 | -178.2 | -72.7 | 0 | 0 | 0 | 0 | 113.6 | S34 L35 P42 | S34-C38 WeakPolarHBondContact O-CB 3.35Å; S34-C38 PolarHBondContact O-N 3.47Å; S34-C38 PolarHBondContact O-SG 3.08Å; L35-C38 PolarHBondContact O-N 3.38Å; C38-P42 WeakPolarHBondContact O-CD 3.37Å; C38-P42 VanDerWaalsContact O-CG 3.25Å; C38-P42 WeakPolarHBondContact O-CG 3.45Å |
| 39 | L | 95.9 | Very high | 95 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 56% | 0.56 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -94.9 | -46 | 177.5 | -63.4 | 175.4 | 0 | 0 | 0 | 112 | L35 L37 A43 | L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.86Å; L37-L39 VanDerWaalsContact C-N 3.28Å; L37-L39 PolarHBondContact O-N 3.38Å; L39-A43 WeakPolarHBondContact O-CB 3.32Å; L39-A43 PolarHBondContact O-N 2.99Å |
| 40 | G | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L36 A43 N44 L77 | L36-G40 WeakPolarHBondContact O-CA 3.48Å; L36-G40 PolarHBondContact O-N 2.89Å; G40-A43 PolarHBondContact O-N 3.24Å; G40-N44 WeakPolarHBondContact O-CB 3.2Å; G40-N44 PolarHBondContact O-N 3.3Å; G40-N44 PolarHBondContact O-ND2 2.93Å; G40-L77 VanDerWaalsContact C-CD1 3.44Å |
| 41 | L | 96.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 41 Ų | 41 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.8 | -51 | -176.5 | -175.9 | 69.3 | 0 | 0 | 0 | 111.6 | L37 A43 N44 I45 I74 L77 | L37-L41 HydrophobicContact CD1-CB 4.24Å; L37-L41 HydrophobicContact CD1-CD2 4.3Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 2.96Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.5Å; L41-N44 PolarHBondContact O-N 3.46Å; L41-I45 HydrophobicContact CD1-CD1 4.24Å; L41-I45 HydrophobicContact CG-CD1 3.94Å; L41-I45 VanDerWaalsContact O-CG1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.44Å; L41-I74 HydrophobicContact CD1-CG1 4.4Å; L41-I74 HydrophobicContact CD1-CG2 3.91Å; L41-L77 HydrophobicContact CB-CD1 4.41Å |
| 42 | P | 96.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 174.4 | -24.9 | 37.1 | 0 | 0 | 0 | 113.2 | C38 I45 L46 | C38-P42 WeakPolarHBondContact O-CD 3.37Å; C38-P42 VanDerWaalsContact O-CG 3.25Å; C38-P42 WeakPolarHBondContact O-CG 3.45Å; P42-I45 PolarHBondContact O-N 3.1Å; P42-L46 VanDerWaalsContact O-CB 3.3Å; P42-L46 WeakPolarHBondContact O-CB 3.46Å; P42-L46 PolarHBondContact O-N 3.22Å |
| 43 | A | 96.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L39 G40 L41 T47 F282 | L39-A43 WeakPolarHBondContact O-CB 3.32Å; L39-A43 PolarHBondContact O-N 2.99Å; G40-A43 PolarHBondContact O-N 3.24Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.5Å; A43-T47 WeakPolarHBondContact O-CB 3.34Å; A43-T47 PolarHBondContact O-N 3.31Å; A43-T47 PolarHBondContact O-OG1 3.21Å; A43-F282 HydrophobicContact CB-CB 3.87Å; A43-F282 HydrophobicContact CB-CD1 4.17Å; A43-F282 HydrophobicContact CB-CG 4.04Å |
| 44 | N | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.1 | -37.4 | 176.7 | -78.9 | -56.8 | 0 | 0 | 0 | 112.6 | G40 L41 L46 T47 V48 I74 L77 T278 | G40-N44 WeakPolarHBondContact O-CB 3.2Å; G40-N44 PolarHBondContact O-N 3.3Å; G40-N44 PolarHBondContact O-ND2 2.93Å; L41-N44 PolarHBondContact O-N 3.46Å; N44-L46 VanDerWaalsContact C-N 3.34Å; N44-L46 PolarHBondContact O-N 3.25Å; N44-T47 CarbonylContact O-C 3.18Å; N44-T47 WeakPolarHBondContact O-CA 3.47Å; N44-T47 VanDerWaalsContact O-CB 3.28Å; N44-T47 WeakPolarHBondContact O-CB 3.35Å; N44-T47 PolarHBondContact O-N 2.74Å; N44-T47 VanDerWaalsContact O-N 3.14Å; N44-V48 WeakPolarHBondContact O-CG2 3.16Å; N44-V48 PolarHBondContact O-N 3.46Å; N44-I74 HydrophobicContact CB-CD1 4.17Å; N44-I74 HydrophobicContact CB-CG1 3.61Å; N44-L77 WeakPolarHBondContact ND2-CD1 3.34Å; N44-T278 PolarHBondContact ND2-O 3.36Å |
| 45 | I | 97.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 41% | 0.41 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 172 | -69.1 | 166.6 | 0 | 0 | 0 | 110.3 | L41 P42 T47 V48 I49 I74 | L41-I45 HydrophobicContact CD1-CD1 4.24Å; L41-I45 HydrophobicContact CG-CD1 3.94Å; L41-I45 VanDerWaalsContact O-CG1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.44Å; P42-I45 PolarHBondContact O-N 3.1Å; I45-T47 VanDerWaalsContact C-N 3.28Å; I45-T47 PolarHBondContact O-N 3.1Å; I45-V48 WeakPolarHBondContact O-CB 3.4Å; I45-V48 PolarHBondContact O-N 3.2Å; I45-I49 HydrophobicContact CG2-CD1 4.04Å; I45-I49 WeakPolarHBondContact O-CG1 3.42Å; I45-I49 PolarHBondContact O-N 3.41Å; I45-I74 HydrophobicContact CG1-CD1 4.07Å |
| 46 | L | 96.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 175.7 | -178.3 | 58.6 | 0 | 0 | 0 | 111.4 | P42 N44 I49 I50 F282 T299 L300 | P42-L46 VanDerWaalsContact O-CB 3.3Å; P42-L46 WeakPolarHBondContact O-CB 3.46Å; P42-L46 PolarHBondContact O-N 3.22Å; N44-L46 VanDerWaalsContact C-N 3.34Å; N44-L46 PolarHBondContact O-N 3.25Å; L46-I49 PolarHBondContact O-N 2.89Å; L46-I50 HydrophobicContact CD1-CD1 3.91Å; L46-I50 HydrophobicContact CD1-CG1 4.22Å; L46-I50 HydrophobicContact CD2-CD1 4.42Å; L46-I50 HydrophobicContact CG-CD1 3.7Å; L46-I50 HydrophobicContact CG-CG1 4.45Å; L46-I50 WeakPolarHBondContact O-CB 3.44Å; L46-I50 WeakPolarHBondContact O-CD1 3.44Å; L46-I50 VanDerWaalsContact O-CG1 3.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.47Å; L46-I50 PolarHBondContact O-N 2.9Å; L46-F282 HydrophobicContact CD2-CE2 3.67Å; L46-F282 HydrophobicContact CD2-CZ 3.72Å; L46-F282 HydrophobicContact CG-CE2 3.99Å; L46-T299 HydrophobicContact CD1-CG2 4.3Å; L46-L300 HydrophobicContact CD1-CD2 4.42Å; L46-L300 HydrophobicContact CD2-CD2 4.11Å |
| 47 | T | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 174 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | A43 N44 I45 I49 I50 L51 A70 F282 Y285 F292 | A43-T47 WeakPolarHBondContact O-CB 3.34Å; A43-T47 PolarHBondContact O-N 3.31Å; A43-T47 PolarHBondContact O-OG1 3.21Å; N44-T47 CarbonylContact O-C 3.18Å; N44-T47 WeakPolarHBondContact O-CA 3.47Å; N44-T47 VanDerWaalsContact O-CB 3.28Å; N44-T47 WeakPolarHBondContact O-CB 3.35Å; N44-T47 PolarHBondContact O-N 2.74Å; N44-T47 VanDerWaalsContact O-N 3.14Å; I45-T47 VanDerWaalsContact C-N 3.28Å; I45-T47 PolarHBondContact O-N 3.1Å; T47-I49 VanDerWaalsContact C-N 3.35Å; T47-I49 PolarHBondContact O-N 2.95Å; T47-I50 PolarHBondContact O-N 3.37Å; T47-L51 HydrophobicContact CG2-CD1 3.51Å; T47-L51 HydrophobicContact CG2-CG 4.11Å; T47-L51 VanDerWaalsContact O-CB 3.28Å; T47-L51 WeakPolarHBondContact O-CB 3.29Å; T47-L51 VanDerWaalsContact O-CG 3.29Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 3.38Å; T47-A70 HydrophobicContact CG2-CB 3.63Å; T47-F282 WeakPolarHBondContact OG1-CB 3.48Å; T47-F282 VanDerWaalsContact OG1-CD2 3.28Å; T47-F282 WeakPolarHBondContact OG1-CD2 3.48Å; T47-Y285 HydrophobicContact CG2-CD2 3.9Å; T47-Y285 HydrophobicContact CG2-CE2 3.72Å; T47-F292 HydrophobicContact CG2-CE2 4.32Å; T47-F292 HydrophobicContact CG2-CZ 4.38Å |
| 48 | V | 97.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.3 | 166 | 0 | 0 | 0 | 0 | 110.9 | N44 I45 L51 S52 L67 A70 I74 | N44-V48 WeakPolarHBondContact O-CG2 3.16Å; N44-V48 PolarHBondContact O-N 3.46Å; I45-V48 WeakPolarHBondContact O-CB 3.4Å; I45-V48 PolarHBondContact O-N 3.2Å; V48-L51 PolarHBondContact O-N 3.5Å; V48-S52 VanDerWaalsContact O-CB 3.24Å; V48-S52 WeakPolarHBondContact O-CB 3.48Å; V48-S52 PolarHBondContact O-N 3.34Å; V48-S52 PolarHBondContact O-OG 3.07Å; V48-L67 HydrophobicContact CB-CD1 4.16Å; V48-L67 HydrophobicContact CG1-CD1 3.91Å; V48-L67 HydrophobicContact CG2-CD1 4.24Å; V48-L67 WeakPolarHBondContact O-CD1 3.22Å; V48-A70 HydrophobicContact CG2-CB 3.82Å; V48-I74 HydrophobicContact CG2-CD1 3.83Å |
| 49 | I | 96.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 28% | 0.277 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 178.2 | -66.1 | 162.5 | 0 | 0 | 0 | 110.6 | I45 L46 T47 S52 Q53 T299 F303 | I45-I49 HydrophobicContact CG2-CD1 4.04Å; I45-I49 WeakPolarHBondContact O-CG1 3.42Å; I45-I49 PolarHBondContact O-N 3.41Å; L46-I49 PolarHBondContact O-N 2.89Å; T47-I49 VanDerWaalsContact C-N 3.35Å; T47-I49 PolarHBondContact O-N 2.95Å; I49-S52 PolarHBondContact O-N 3.35Å; I49-Q53 WeakPolarHBondContact O-CG 3.03Å; I49-Q53 PolarHBondContact O-N 3.01Å; I49-T299 HydrophobicContact CG2-CG2 3.78Å; I49-F303 HydrophobicContact CD1-CE2 4.47Å; I49-F303 HydrophobicContact CD1-CZ 4.12Å |
| 50 | I | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | -179 | -70.2 | 162.6 | 0 | 0 | 0 | 111.2 | L46 T47 Q53 L54 F282 F292 M295 A296 | L46-I50 HydrophobicContact CD1-CD1 3.91Å; L46-I50 HydrophobicContact CD1-CG1 4.22Å; L46-I50 HydrophobicContact CD2-CD1 4.42Å; L46-I50 HydrophobicContact CG-CD1 3.7Å; L46-I50 HydrophobicContact CG-CG1 4.45Å; L46-I50 WeakPolarHBondContact O-CB 3.44Å; L46-I50 WeakPolarHBondContact O-CD1 3.44Å; L46-I50 VanDerWaalsContact O-CG1 3.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.47Å; L46-I50 PolarHBondContact O-N 2.9Å; T47-I50 PolarHBondContact O-N 3.37Å; I50-Q53 PolarHBondContact O-N 3.42Å; I50-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 WeakPolarHBondContact O-CG 3.12Å; I50-L54 PolarHBondContact O-N 3.32Å; I50-F282 HydrophobicContact CD1-CE2 4.11Å; I50-F292 HydrophobicContact CB-CE2 3.96Å; I50-F292 HydrophobicContact CB-CZ 4.25Å; I50-F292 HydrophobicContact CD1-CE1 4.05Å; I50-F292 HydrophobicContact CD1-CE2 4.29Å; I50-F292 HydrophobicContact CD1-CZ 3.74Å; I50-F292 HydrophobicContact CG2-CD2 3.55Å; I50-F292 HydrophobicContact CG2-CE2 3.41Å; I50-F292 VanDerWaalsContact CG2-CE2 3.41Å; I50-F292 HydrophobicContact CG2-CG 4.23Å; I50-F292 HydrophobicContact CG2-CZ 3.98Å; I50-M295 HydrophobicContact CB-CG 4.48Å; I50-M295 HydrophobicContact CG2-CB 3.87Å; I50-M295 HydrophobicContact CG2-CG 3.79Å; I50-A296 HydrophobicContact CD1-CB 3.53Å; I50-A296 HydrophobicContact CG1-CB 4.39Å |
| 51 | L | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70 | -36.1 | -178 | -71.8 | 175.7 | 0 | 0 | 0 | 111.8 | T47 V48 Q53 L54 V55 Y63 L66 L67 F292 | T47-L51 HydrophobicContact CG2-CD1 3.51Å; T47-L51 HydrophobicContact CG2-CG 4.11Å; T47-L51 VanDerWaalsContact O-CB 3.28Å; T47-L51 WeakPolarHBondContact O-CB 3.29Å; T47-L51 VanDerWaalsContact O-CG 3.29Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 3.38Å; V48-L51 PolarHBondContact O-N 3.5Å; L51-Q53 VanDerWaalsContact C-N 3.29Å; L51-Q53 PolarHBondContact O-N 3.18Å; L51-L54 HydrophobicContact CD2-CD1 4.19Å; L51-L54 CarbonylContact O-C 3.17Å; L51-L54 PolarHBondContact O-N 3.03Å; L51-L54 VanDerWaalsContact O-N 3.11Å; L51-V55 WeakPolarHBondContact O-CB 3.36Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.18Å; L51-V55 PolarHBondContact O-N 3.17Å; L51-Y63 HydrophobicContact CD2-CD1 4.16Å; L51-L66 VanDerWaalsContact CD1-C 3.43Å; L51-L66 HydrophobicContact CD1-CB 3.69Å; L51-L66 WeakPolarHBondContact CD1-O 3.39Å; L51-L66 HydrophobicContact CD2-CB 4.17Å; L51-L66 HydrophobicContact CD2-CD1 4.48Å; L51-L67 HydrophobicContact CB-CB 4.05Å; L51-L67 HydrophobicContact CB-CD1 4.02Å; L51-L67 HydrophobicContact CD1-CB 4.46Å; L51-F292 HydrophobicContact CD2-CD2 4.25Å; L51-F292 HydrophobicContact CD2-CE2 4.25Å; L51-F292 HydrophobicContact CG-CE2 4.19Å |
| 52 | S | 95.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 36% | 0.357 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 173.6 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | V48 I49 V55 A56 | V48-S52 VanDerWaalsContact O-CB 3.24Å; V48-S52 WeakPolarHBondContact O-CB 3.48Å; V48-S52 PolarHBondContact O-N 3.34Å; V48-S52 PolarHBondContact O-OG 3.07Å; I49-S52 PolarHBondContact O-N 3.35Å; S52-V55 PolarHBondContact O-N 3.29Å; S52-A56 WeakPolarHBondContact O-CB 3.36Å; S52-A56 PolarHBondContact O-N 3.22Å |
| 53 | Q | 93.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 174.9 | -66.6 | 175.8 | -7.1 | 0 | 0 | 112.5 | I49 I50 L51 R57 M295 T299 | I49-Q53 WeakPolarHBondContact O-CG 3.03Å; I49-Q53 PolarHBondContact O-N 3.01Å; I50-Q53 PolarHBondContact O-N 3.42Å; L51-Q53 VanDerWaalsContact C-N 3.29Å; L51-Q53 PolarHBondContact O-N 3.18Å; Q53-R57 WeakPolarHBondContact O-CB 3.36Å; Q53-R57 VanDerWaalsContact O-CG 3.24Å; Q53-R57 WeakPolarHBondContact O-CG 3.46Å; Q53-R57 PolarHBondContact O-N 3.29Å; Q53-M295 HydrophobicContact CB-CE 4.38Å; Q53-M295 HydrophobicContact CB-CG 4.4Å; Q53-M295 HydrophobicContact CB-SD 4.11Å; Q53-M295 PolarHBondContact OE1-SD 3.34Å; Q53-T299 PolarHBondContact OE1-OG1 3.32Å; Q53-T299 VanDerWaalsContact OE1-OG1 3.05Å |
| 54 | L | 92.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -37.6 | 176.3 | -73.8 | 169.9 | 0 | 0 | 0 | 112.4 | I50 L51 R58 Y63 F292 M295 | I50-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 WeakPolarHBondContact O-CG 3.12Å; I50-L54 PolarHBondContact O-N 3.32Å; L51-L54 HydrophobicContact CD2-CD1 4.19Å; L51-L54 CarbonylContact O-C 3.17Å; L51-L54 PolarHBondContact O-N 3.03Å; L51-L54 VanDerWaalsContact O-N 3.11Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.41Å; L54-R58 PolarHBondContact O-N 3.33Å; L54-Y63 HydrophobicContact CB-CD1 4.36Å; L54-Y63 HydrophobicContact CB-CD2 4.02Å; L54-Y63 HydrophobicContact CB-CE2 4.18Å; L54-Y63 HydrophobicContact CB-CG 4.13Å; L54-Y63 HydrophobicContact CD1-CE1 4.23Å; L54-F292 HydrophobicContact CD1-CD2 4.34Å; L54-M295 HydrophobicContact CD1-CB 4.48Å; L54-M295 HydrophobicContact CD2-CB 4.32Å; L54-M295 HydrophobicContact CD2-CE 3.91Å; L54-M295 HydrophobicContact CG-CB 4.34Å; L54-M295 HydrophobicContact CG-CE 4.35Å; L54-M295 HydrophobicContact CG-CG 4.27Å |
| 55 | V | 92.4 | Very high | 92.8 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -52.5 | 172.6 | 167.9 | 0 | 0 | 0 | 0 | 109.4 | L51 S52 R57 R58 Q59 L67 | L51-V55 WeakPolarHBondContact O-CB 3.36Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.18Å; L51-V55 PolarHBondContact O-N 3.17Å; S52-V55 PolarHBondContact O-N 3.29Å; V55-R57 PolarHBondContact O-N 2.8Å; V55-R58 PolarHBondContact O-N 2.96Å; V55-Q59 WeakPolarHBondContact O-CA 3.43Å; V55-Q59 PolarHBondContact O-N 3.43Å; V55-Q59 PolarHBondContact O-NE2 2.92Å; V55-L67 HydrophobicContact CG2-CD2 4.18Å |
| 56 | A | 90.7 | Very high | 92.7 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 24% | 0.24 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S52 Q59 | S52-A56 WeakPolarHBondContact O-CB 3.36Å; S52-A56 PolarHBondContact O-N 3.22Å; A56-Q59 PolarHBondContact O-NE2 3.02Å |
| 57 | R | 89.7 | Confident | 92.6 | Very high | 137 Ų | 137 | 36.6 Ų | 36.6 | 52% | 0.517 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -78.2 | -26.5 | -174.6 | -71.1 | 176.5 | -176.4 | -92.9 | 3.2 | 115.4 | Q53 V55 | Q53-R57 WeakPolarHBondContact O-CB 3.36Å; Q53-R57 VanDerWaalsContact O-CG 3.24Å; Q53-R57 WeakPolarHBondContact O-CG 3.46Å; Q53-R57 PolarHBondContact O-N 3.29Å; V55-R57 PolarHBondContact O-N 2.8Å |
| 58 | R | 85.8 | Confident | 92.7 | Very high | 158 Ų | 158 | 37 Ų | 37 | 60% | 0.596 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -123.1 | -15.2 | -169.1 | -61 | -62.9 | -171.4 | 177.2 | -2.2 | 114.2 | L54 V55 K60 Y63 | L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.41Å; L54-R58 PolarHBondContact O-N 3.33Å; V55-R58 PolarHBondContact O-N 2.96Å; R58-K60 HydrophobicContact CB-CG 4.23Å; R58-K60 WeakPolarHBondContact O-CG 3.2Å; R58-K60 PolarHBondContact O-N 3.43Å; R58-K60 VanDerWaalsContact O-N 3.1Å; R58-Y63 HydrophobicContact CB-CD2 4.14Å; R58-Y63 HydrophobicContact CB-CE2 3.79Å; R58-Y63 HydrophobicContact CG-CE2 4.09Å |
| 59 | Q | 83.8 | Confident | 92.6 | Very high | 78 Ų | 78 | 35.3 Ų | 35.3 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | trans | 48.5 | 43.4 | 176.2 | -62.2 | -63.5 | -27.5 | 0 | 0 | 112.3 | V55 A56 P142 | V55-Q59 WeakPolarHBondContact O-CA 3.43Å; V55-Q59 PolarHBondContact O-N 3.43Å; V55-Q59 PolarHBondContact O-NE2 2.92Å; A56-Q59 PolarHBondContact O-NE2 3.02Å; Q59-P142 VanDerWaalsContact C-CG 3.43Å; Q59-P142 HydrophobicContact CB-CG 4.08Å; Q59-P142 WeakPolarHBondContact O-CG 3.31Å | ||
| 60 | K | 86.5 | Confident | 92.6 | Very high | 81 Ų | 81 | 32.8 Ų | 32.8 | 35% | 0.352 | 15% | 0.154 | S | C | . | . | trans | -98 | 135.7 | 176.8 | -65.9 | -164 | 175.5 | -166.7 | 0 | 111 | R58 S62 Y63 N64 | R58-K60 HydrophobicContact CB-CG 4.23Å; R58-K60 WeakPolarHBondContact O-CG 3.2Å; R58-K60 PolarHBondContact O-N 3.43Å; R58-K60 VanDerWaalsContact O-N 3.1Å; K60-S62 VanDerWaalsContact C-N 3.35Å; K60-S62 PolarHBondContact O-N 3.31Å; K60-Y63 HydrophobicContact CB-CD2 3.77Å; K60-Y63 HydrophobicContact CB-CE2 4.17Å; K60-Y63 HydrophobicContact CB-CG 4.47Å; K60-Y63 HydrophobicContact CD-CE2 4.1Å; K60-Y63 HydrophobicContact CG-CD2 4.32Å; K60-Y63 HydrophobicContact CG-CE2 4.27Å; K60-Y63 PolarHBondContact O-N 2.78Å; K60-N64 PolarHBondContact O-ND2 2.7Å | ||
| 61 | S | 90.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -48.4 | -52.6 | 171.8 | 173 | 0 | 0 | 0 | 0 | 112.1 | Y63 N64 Y65 D125 T145 | S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 2.71Å; S61-Y63 VanDerWaalsContact O-N 3.16Å; S61-N64 WeakPolarHBondContact O-CB 3.42Å; S61-N64 PolarHBondContact O-N 2.98Å; S61-Y65 PolarHBondContact O-N 3.17Å; S61-Y65 VanDerWaalsContact OG-CE2 3.29Å; S61-Y65 WeakPolarHBondContact OG-CE2 3.4Å; S61-D125 VanDerWaalsContact CB-OD1 3.3Å; S61-D125 WeakPolarHBondContact CB-OD1 3.43Å; S61-D125 PolarHBondContact OG-OD1 3.31Å; S61-T145 VanDerWaalsContact CB-OG1 3.22Å; S61-T145 WeakPolarHBondContact CB-OG1 3.32Å; S61-T145 PolarHBondContact OG-OG1 3.04Å |
| 62 | S | 89.4 | Confident | 92.8 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.2 | -38.9 | 180 | 27.8 | 0 | 0 | 0 | 0 | 115.2 | K60 N64 Y65 L66 R126 | K60-S62 VanDerWaalsContact C-N 3.35Å; K60-S62 PolarHBondContact O-N 3.31Å; S62-N64 VanDerWaalsContact C-N 3.3Å; S62-N64 PolarHBondContact O-N 3.5Å; S62-Y65 PolarHBondContact O-N 2.99Å; S62-L66 WeakPolarHBondContact O-CG 3.5Å; S62-L66 PolarHBondContact O-N 2.82Å; S62-R126 VanDerWaalsContact OG-CZ 3.32Å; S62-R126 PolarHBondContact OG-NH1 2.9Å; S62-R126 PolarHBondContact OG-NH2 3.19Å |
| 63 | Y | 92.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 32 Ų | 32 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.2 | -28.6 | 178.5 | -63.4 | -45.2 | 0 | 0 | 0 | 112.4 | L51 L54 R58 K60 S61 L66 L67 R291 | L51-Y63 HydrophobicContact CD2-CD1 4.16Å; L54-Y63 HydrophobicContact CB-CD1 4.36Å; L54-Y63 HydrophobicContact CB-CD2 4.02Å; L54-Y63 HydrophobicContact CB-CE2 4.18Å; L54-Y63 HydrophobicContact CB-CG 4.13Å; L54-Y63 HydrophobicContact CD1-CE1 4.23Å; R58-Y63 HydrophobicContact CB-CD2 4.14Å; R58-Y63 HydrophobicContact CB-CE2 3.79Å; R58-Y63 HydrophobicContact CG-CE2 4.09Å; K60-Y63 HydrophobicContact CB-CD2 3.77Å; K60-Y63 HydrophobicContact CB-CE2 4.17Å; K60-Y63 HydrophobicContact CB-CG 4.47Å; K60-Y63 HydrophobicContact CD-CE2 4.1Å; K60-Y63 HydrophobicContact CG-CD2 4.32Å; K60-Y63 HydrophobicContact CG-CE2 4.27Å; K60-Y63 PolarHBondContact O-N 2.78Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 2.71Å; S61-Y63 VanDerWaalsContact O-N 3.16Å; Y63-L66 HydrophobicContact CD1-CD1 4.41Å; Y63-L67 WeakPolarHBondContact O-CB 3.43Å; Y63-L67 PolarHBondContact O-N 3.5Å; Y63-R291 WeakPolarHBondContact OH-CD 3.41Å |
| 64 | N | 95.3 | Very high | 93 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 174.6 | -70.4 | -102.1 | 0 | 0 | 0 | 110.3 | K60 S61 S62 L67 A68 T145 I149 | K60-N64 PolarHBondContact O-ND2 2.7Å; S61-N64 WeakPolarHBondContact O-CB 3.42Å; S61-N64 PolarHBondContact O-N 2.98Å; S62-N64 VanDerWaalsContact C-N 3.3Å; S62-N64 PolarHBondContact O-N 3.5Å; N64-L67 PolarHBondContact O-N 2.9Å; N64-A68 WeakPolarHBondContact O-CB 3.44Å; N64-A68 PolarHBondContact O-N 3.46Å; N64-T145 HydrophobicContact CB-CG2 3.74Å; N64-I149 HydrophobicContact CB-CD1 3.87Å; N64-I149 WeakPolarHBondContact O-CD1 3.27Å |
| 65 | Y | 95.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.5 | -71.9 | -58.5 | 0 | 0 | 0 | 112.6 | S61 S62 L67 A68 L69 I118 P121 L122 D125 T145 V148 I149 | S61-Y65 PolarHBondContact O-N 3.17Å; S61-Y65 VanDerWaalsContact OG-CE2 3.29Å; S61-Y65 WeakPolarHBondContact OG-CE2 3.4Å; S62-Y65 PolarHBondContact O-N 2.99Å; Y65-L67 VanDerWaalsContact C-N 3.27Å; Y65-L67 PolarHBondContact O-N 3.42Å; Y65-A68 PolarHBondContact O-N 3.47Å; Y65-L69 WeakPolarHBondContact O-CB 3.14Å; Y65-L69 PolarHBondContact O-N 3.17Å; Y65-I118 WeakPolarHBondContact O-CG2 3.15Å; Y65-P121 HydrophobicContact CD1-CB 4.48Å; Y65-P121 HydrophobicContact CD1-CG 4.17Å; Y65-P121 HydrophobicContact CE1-CB 3.69Å; Y65-P121 HydrophobicContact CE1-CG 3.73Å; Y65-L122 HydrophobicContact CD2-CB 4.39Å; Y65-L122 HydrophobicContact CD2-CD1 4.28Å; Y65-L122 HydrophobicContact CG-CB 4.15Å; Y65-L122 HydrophobicContact CG-CD1 4.42Å; Y65-D125 HydrophobicContact CD2-CB 4.3Å; Y65-D125 HydrophobicContact CE2-CB 3.76Å; Y65-T145 HydrophobicContact CD1-CG2 4.08Å; Y65-T145 HydrophobicContact CD2-CG2 3.8Å; Y65-T145 HydrophobicContact CE1-CG2 3.78Å; Y65-T145 HydrophobicContact CE2-CG2 3.51Å; Y65-T145 HydrophobicContact CG-CG2 4.07Å; Y65-T145 VanDerWaalsContact CZ-CG2 3.49Å; Y65-V148 HydrophobicContact CE1-CG1 4.17Å; Y65-I149 HydrophobicContact CD1-CD1 3.94Å; Y65-I149 HydrophobicContact CD1-CG1 3.64Å; Y65-I149 HydrophobicContact CE1-CD1 4.33Å; Y65-I149 HydrophobicContact CE1-CG1 3.79Å |
| 66 | L | 93.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 9% | 0.089 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -35.8 | 176.5 | -67.4 | 172.4 | 0 | 0 | 0 | 111.8 | L51 S62 Y63 L69 A70 L122 I233 Y285 | L51-L66 VanDerWaalsContact CD1-C 3.43Å; L51-L66 HydrophobicContact CD1-CB 3.69Å; L51-L66 WeakPolarHBondContact CD1-O 3.39Å; L51-L66 HydrophobicContact CD2-CB 4.17Å; L51-L66 HydrophobicContact CD2-CD1 4.48Å; S62-L66 WeakPolarHBondContact O-CG 3.5Å; S62-L66 PolarHBondContact O-N 2.82Å; Y63-L66 HydrophobicContact CD1-CD1 4.41Å; L66-L69 PolarHBondContact O-N 3.06Å; L66-A70 PolarHBondContact O-N 3.16Å; L66-L122 HydrophobicContact CD2-CD2 3.74Å; L66-L122 HydrophobicContact CG-CD2 4.45Å; L66-I233 HydrophobicContact CD2-CD1 4.18Å; L66-Y285 HydrophobicContact CD2-CE1 3.79Å; L66-Y285 WeakPolarHBondContact CD2-OH 3.29Å |
| 67 | L | 96.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 33.8 Ų | 33.8 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 175.7 | 176.4 | 60.8 | 0 | 0 | 0 | 110.9 | V48 L51 V55 Y63 N64 Y65 L69 A70 A71 | V48-L67 HydrophobicContact CB-CD1 4.16Å; V48-L67 HydrophobicContact CG1-CD1 3.91Å; V48-L67 HydrophobicContact CG2-CD1 4.24Å; V48-L67 WeakPolarHBondContact O-CD1 3.22Å; L51-L67 HydrophobicContact CB-CB 4.05Å; L51-L67 HydrophobicContact CB-CD1 4.02Å; L51-L67 HydrophobicContact CD1-CB 4.46Å; V55-L67 HydrophobicContact CG2-CD2 4.18Å; Y63-L67 WeakPolarHBondContact O-CB 3.43Å; Y63-L67 PolarHBondContact O-N 3.5Å; N64-L67 PolarHBondContact O-N 2.9Å; Y65-L67 VanDerWaalsContact C-N 3.27Å; Y65-L67 PolarHBondContact O-N 3.42Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 PolarHBondContact O-N 2.66Å; L67-A70 PolarHBondContact O-N 3.19Å; L67-A71 PolarHBondContact O-N 3.24Å |
| 68 | A | 97.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.1 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N64 Y65 A71 A72 I118 I149 Y153 | N64-A68 WeakPolarHBondContact O-CB 3.44Å; N64-A68 PolarHBondContact O-N 3.46Å; Y65-A68 PolarHBondContact O-N 3.47Å; A68-A71 PolarHBondContact O-N 2.81Å; A68-A72 PolarHBondContact O-N 3.17Å; A68-I118 HydrophobicContact CB-CD1 4.18Å; A68-I118 HydrophobicContact CB-CG2 4.24Å; A68-I149 HydrophobicContact CB-CB 4.46Å; A68-I149 HydrophobicContact CB-CD1 3.96Å; A68-I149 HydrophobicContact CB-CG1 4.1Å; A68-I149 HydrophobicContact CB-CG2 3.52Å; A68-Y153 HydrophobicContact CB-CE2 4.25Å; A68-Y153 PolarHBondContact O-OH 3.48Å |
| 69 | L | 95.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -50.2 | 173.2 | 179 | 60.6 | 0 | 0 | 0 | 110.8 | Y65 L66 L67 A71 A72 D73 S115 I118 T119 | Y65-L69 WeakPolarHBondContact O-CB 3.14Å; Y65-L69 PolarHBondContact O-N 3.17Å; L66-L69 PolarHBondContact O-N 3.06Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 PolarHBondContact O-N 2.66Å; L69-A71 VanDerWaalsContact C-N 3.25Å; L69-A71 PolarHBondContact O-N 3.41Å; L69-A72 WeakPolarHBondContact O-CB 3.38Å; L69-A72 PolarHBondContact O-N 3.43Å; L69-D73 VanDerWaalsContact O-CG 3.32Å; L69-D73 PolarHBondContact O-N 3.39Å; L69-S115 WeakPolarHBondContact CD1-O 3.32Å; L69-I118 HydrophobicContact CB-CG2 3.95Å; L69-T119 HydrophobicContact CD1-CG2 3.91Å; L69-T119 HydrophobicContact CD2-CG2 3.98Å |
| 70 | A | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -34.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T47 V48 L66 L67 I74 | T47-A70 HydrophobicContact CG2-CB 3.63Å; V48-A70 HydrophobicContact CG2-CB 3.82Å; L66-A70 PolarHBondContact O-N 3.16Å; L67-A70 PolarHBondContact O-N 3.19Å; A70-I74 WeakPolarHBondContact O-CG1 3.24Å; A70-I74 PolarHBondContact O-N 3.28Å; A70-I74 VanDerWaalsContact O-N 3.15Å |
| 71 | A | 98 | Very high | 95.2 | Very high | 36 Ų | 36 | 18.2 Ų | 18.2 | 30% | 0.298 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -66.7 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L67 A68 L69 I74 L75 | L67-A71 PolarHBondContact O-N 3.24Å; A68-A71 PolarHBondContact O-N 2.81Å; L69-A71 VanDerWaalsContact C-N 3.25Å; L69-A71 PolarHBondContact O-N 3.41Å; A71-I74 WeakPolarHBondContact O-CB 3.34Å; A71-I74 PolarHBondContact O-N 2.94Å; A71-L75 WeakPolarHBondContact O-CG 3.46Å; A71-L75 PolarHBondContact O-N 3.4Å |
| 72 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A68 L69 I74 L75 V76 T114 Y153 | A68-A72 PolarHBondContact O-N 3.17Å; L69-A72 WeakPolarHBondContact O-CB 3.38Å; L69-A72 PolarHBondContact O-N 3.43Å; A72-I74 VanDerWaalsContact C-N 3.3Å; A72-I74 PolarHBondContact O-N 2.89Å; A72-L75 WeakPolarHBondContact O-CB 3.33Å; A72-L75 PolarHBondContact O-N 3.29Å; A72-L75 VanDerWaalsContact O-N 3.08Å; A72-V76 PolarHBondContact O-N 2.91Å; A72-T114 HydrophobicContact CB-CG2 3.88Å; A72-Y153 PolarHBondContact N-OH 3Å |
| 73 | D | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 176.1 | -67.5 | -20.9 | 0 | 0 | 0 | 111.8 | L69 L75 V76 L77 S115 N281 | L69-D73 VanDerWaalsContact O-CG 3.32Å; L69-D73 PolarHBondContact O-N 3.39Å; D73-L75 VanDerWaalsContact C-N 3.34Å; D73-V76 PolarHBondContact O-N 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.38Å; D73-L77 PolarHBondContact O-N 2.97Å; D73-S115 PolarHBondContact OD1-OG 2.76Å; D73-N281 PolarHBondContact OD2-ND2 3.03Å |
| 74 | I | 97.8 | Very high | 95 | Very high | 39 Ų | 39 | 21.9 Ų | 21.9 | 20% | 0.2 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 171.1 | -69.4 | 168 | 0 | 0 | 0 | 110.8 | L41 N44 I45 V48 A70 A71 A72 V76 L77 F78 | L41-I74 HydrophobicContact CD1-CG1 4.4Å; L41-I74 HydrophobicContact CD1-CG2 3.91Å; N44-I74 HydrophobicContact CB-CD1 4.17Å; N44-I74 HydrophobicContact CB-CG1 3.61Å; I45-I74 HydrophobicContact CG1-CD1 4.07Å; V48-I74 HydrophobicContact CG2-CD1 3.83Å; A70-I74 WeakPolarHBondContact O-CG1 3.24Å; A70-I74 PolarHBondContact O-N 3.28Å; A70-I74 VanDerWaalsContact O-N 3.15Å; A71-I74 WeakPolarHBondContact O-CB 3.34Å; A71-I74 PolarHBondContact O-N 2.94Å; A72-I74 VanDerWaalsContact C-N 3.3Å; A72-I74 PolarHBondContact O-N 2.89Å; I74-V76 VanDerWaalsContact C-N 3.35Å; I74-L77 PolarHBondContact O-N 3.4Å; I74-F78 WeakPolarHBondContact O-CB 3.47Å; I74-F78 PolarHBondContact O-N 3.44Å |
| 75 | L | 97.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 21.8 Ų | 21.8 | 33% | 0.33 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.5 | -61 | 175.8 | 0 | 0 | 0 | 111.5 | A71 A72 D73 F78 F79 S111 Y153 | A71-L75 WeakPolarHBondContact O-CG 3.46Å; A71-L75 PolarHBondContact O-N 3.4Å; A72-L75 WeakPolarHBondContact O-CB 3.33Å; A72-L75 PolarHBondContact O-N 3.29Å; A72-L75 VanDerWaalsContact O-N 3.08Å; D73-L75 VanDerWaalsContact C-N 3.34Å; L75-F78 PolarHBondContact O-N 2.7Å; L75-F79 HydrophobicContact CB-CD2 4.21Å; L75-F79 HydrophobicContact CB-CE2 4.34Å; L75-F79 HydrophobicContact CD2-CE2 4.05Å; L75-F79 VanDerWaalsContact O-CD2 3.28Å; L75-F79 WeakPolarHBondContact O-CD2 3.23Å; L75-F79 PolarHBondContact O-N 2.98Å; L75-S111 WeakPolarHBondContact CB-OG 3.48Å; L75-Y153 HydrophobicContact CD1-CE1 4.45Å |
| 76 | V | 96.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 173.7 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | A72 D73 I74 F78 I80 V81 S111 I112 L275 T278 | A72-V76 PolarHBondContact O-N 2.91Å; D73-V76 PolarHBondContact O-N 3.28Å; I74-V76 VanDerWaalsContact C-N 3.35Å; V76-F78 PolarHBondContact O-N 3.35Å; V76-I80 HydrophobicContact CB-CD1 4.34Å; V76-I80 HydrophobicContact CG1-CD1 3.74Å; V76-I80 HydrophobicContact CG2-CD1 4.41Å; V76-I80 VanDerWaalsContact O-CB 3.32Å; V76-I80 WeakPolarHBondContact O-CB 3.4Å; V76-I80 PolarHBondContact O-N 3.28Å; V76-V81 PolarHBondContact O-N 3.24Å; V76-S111 VanDerWaalsContact CG2-C 3.5Å; V76-S111 WeakPolarHBondContact CG2-O 3.45Å; V76-I112 HydrophobicContact CG2-CG1 4.27Å; V76-L275 HydrophobicContact CG1-CD2 3.72Å; V76-T278 HydrophobicContact CB-CG2 3.99Å; V76-T278 HydrophobicContact CG1-CG2 3.55Å; V76-T278 HydrophobicContact CG2-CG2 4.43Å |
| 77 | L | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -61.4 | -34.9 | 177.2 | -71.1 | 169.1 | 0 | 0 | 0 | 112 | L36 L37 G40 L41 N44 D73 I74 V81 F82 | L36-L77 HydrophobicContact CD2-CD2 4.38Å; L36-L77 HydrophobicContact CG-CD2 4.11Å; L37-L77 HydrophobicContact CD1-CB 4.3Å; G40-L77 VanDerWaalsContact C-CD1 3.44Å; L41-L77 HydrophobicContact CB-CD1 4.41Å; N44-L77 WeakPolarHBondContact ND2-CD1 3.34Å; D73-L77 WeakPolarHBondContact O-CG 3.38Å; D73-L77 PolarHBondContact O-N 2.97Å; I74-L77 PolarHBondContact O-N 3.4Å; L77-V81 HydrophobicContact CD2-CG2 4.1Å; L77-V81 WeakPolarHBondContact O-CB 3.49Å; L77-V81 PolarHBondContact O-N 3.43Å; L77-F82 PolarHBondContact O-N 3.18Å |
| 78 | F | 95.9 | Very high | 92.6 | Very high | 93 Ų | 93 | 22.4 Ų | 22.4 | 41% | 0.408 | 12% | 0.116 | S | C | . | . | I | π-helix | trans | -74.4 | -58.9 | 178.3 | -178 | -105.1 | 0 | 0 | 0 | 112.1 | I74 L75 V76 F82 V83 | I74-F78 WeakPolarHBondContact O-CB 3.47Å; I74-F78 PolarHBondContact O-N 3.44Å; L75-F78 PolarHBondContact O-N 2.7Å; V76-F78 PolarHBondContact O-N 3.35Å; F78-F82 AromaticContact CD2-CD1 3.93Å; F78-F82 HydrophobicContact CD2-CD1 3.93Å; F78-F82 AromaticContact CE2-CD1 3.74Å; F78-F82 HydrophobicContact CE2-CD1 3.74Å; F78-F82 HydrophobicContact CE2-CE1 4.09Å; F78-F82 VanDerWaalsContact O-CB 3.31Å; F78-F82 WeakPolarHBondContact O-CB 3.14Å; F78-F82 PolarHBondContact O-N 3.07Å; F78-V83 HydrophobicContact CD1-CG2 4.46Å; F78-V83 HydrophobicContact CE1-CG2 4.11Å; F78-V83 HydrophobicContact CE2-CG2 4.49Å; F78-V83 HydrophobicContact CZ-CG2 4.12Å; F78-V83 WeakPolarHBondContact O-CG2 3.28Å; F78-V83 PolarHBondContact O-N 2.82Å |
| 79 | F | 94.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 15% | 0.145 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -72 | -39.9 | -173.4 | -69.2 | -62.8 | 0 | 0 | 0 | 113.1 | L75 V83 D84 L107 E108 S111 | L75-F79 HydrophobicContact CB-CD2 4.21Å; L75-F79 HydrophobicContact CB-CE2 4.34Å; L75-F79 HydrophobicContact CD2-CE2 4.05Å; L75-F79 VanDerWaalsContact O-CD2 3.28Å; L75-F79 WeakPolarHBondContact O-CD2 3.23Å; L75-F79 PolarHBondContact O-N 2.98Å; F79-V83 WeakPolarHBondContact O-CB 3.44Å; F79-D84 PolarHBondContact O-N 3.25Å; F79-L107 HydrophobicContact CD1-CB 3.99Å; F79-L107 HydrophobicContact CD1-CD1 4.29Å; F79-L107 HydrophobicContact CD2-CB 4.11Å; F79-L107 HydrophobicContact CE1-CB 4.03Å; F79-L107 HydrophobicContact CE1-CD1 3.62Å; F79-L107 HydrophobicContact CE1-CG 4.4Å; F79-L107 HydrophobicContact CE2-CB 4.12Å; F79-L107 HydrophobicContact CG-CB 4.05Å; F79-L107 HydrophobicContact CZ-CB 4.09Å; F79-L107 HydrophobicContact CZ-CD1 3.8Å; F79-L107 HydrophobicContact CZ-CD2 4.48Å; F79-L107 HydrophobicContact CZ-CG 4.35Å; F79-E108 HydrophobicContact CB-CG 4.06Å; F79-S111 WeakPolarHBondContact CD2-OG 3.3Å |
| 80 | I | 92.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -91.7 | -51.6 | -173.5 | -61.7 | 158.4 | 0 | 0 | 0 | 110.7 | M1 V76 D84 F85 E108 I112 L275 | M1-I80 HydrophobicContact CE-CD1 3.87Å; M1-I80 HydrophobicContact CE-CG1 3.97Å; M1-I80 HydrophobicContact SD-CG2 4.16Å; V76-I80 HydrophobicContact CB-CD1 4.34Å; V76-I80 HydrophobicContact CG1-CD1 3.74Å; V76-I80 HydrophobicContact CG2-CD1 4.41Å; V76-I80 VanDerWaalsContact O-CB 3.32Å; V76-I80 WeakPolarHBondContact O-CB 3.4Å; V76-I80 PolarHBondContact O-N 3.28Å; I80-D84 WeakPolarHBondContact O-CB 3.37Å; I80-F85 PolarHBondContact O-N 2.79Å; I80-E108 HydrophobicContact CD1-CB 4.13Å; I80-E108 HydrophobicContact CG1-CB 3.63Å; I80-E108 HydrophobicContact CG1-CG 3.56Å; I80-I112 HydrophobicContact CD1-CD1 3.36Å; I80-I112 HydrophobicContact CD1-CG1 3.4Å; I80-I112 VanDerWaalsContact CD1-CG1 3.4Å; I80-L275 HydrophobicContact CG2-CD1 3.95Å; I80-L275 HydrophobicContact CG2-CD2 3.98Å |
| 81 | V | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -77.2 | -43.6 | -174.2 | -177.6 | 0 | 0 | 0 | 0 | 111 | Y33 L36 L37 V76 L77 L86 L275 | Y33-V81 HydrophobicContact CD1-CG1 4Å; Y33-V81 HydrophobicContact CD1-CG2 4.25Å; Y33-V81 HydrophobicContact CG-CG1 4.35Å; Y33-V81 WeakPolarHBondContact O-CG1 3.35Å; L36-V81 HydrophobicContact CD2-CG2 3.95Å; L37-V81 HydrophobicContact CB-CG1 4.11Å; V76-V81 PolarHBondContact O-N 3.24Å; L77-V81 HydrophobicContact CD2-CG2 4.1Å; L77-V81 WeakPolarHBondContact O-CB 3.49Å; L77-V81 PolarHBondContact O-N 3.43Å; V81-L86 VanDerWaalsContact O-CG 3.24Å; V81-L86 WeakPolarHBondContact O-CG 3.35Å; V81-L86 PolarHBondContact O-N 3.33Å; V81-L275 HydrophobicContact CG2-CD1 4.45Å |
| 82 | F | 92.7 | Very high | 88.2 | Confident | 73 Ų | 73 | 33.5 Ų | 33.5 | 32% | 0.32 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -85.6 | -51.9 | -177.9 | 176.5 | -111 | 0 | 0 | 0 | 113.3 | L37 L77 F78 L86 L87 | L37-F82 HydrophobicContact CD1-CB 4.25Å; L37-F82 HydrophobicContact CD2-CB 4.04Å; L37-F82 HydrophobicContact CD2-CD2 3.94Å; L37-F82 HydrophobicContact CD2-CG 4.36Å; L77-F82 PolarHBondContact O-N 3.18Å; F78-F82 AromaticContact CD2-CD1 3.93Å; F78-F82 HydrophobicContact CD2-CD1 3.93Å; F78-F82 AromaticContact CE2-CD1 3.74Å; F78-F82 HydrophobicContact CE2-CD1 3.74Å; F78-F82 HydrophobicContact CE2-CE1 4.09Å; F78-F82 VanDerWaalsContact O-CB 3.31Å; F78-F82 WeakPolarHBondContact O-CB 3.14Å; F78-F82 PolarHBondContact O-N 3.07Å; F82-L86 WeakPolarHBondContact O-CB 3.25Å; F82-L86 PolarHBondContact O-N 3.26Å; F82-L87 WeakPolarHBondContact O-CB 3.42Å; F82-L87 PolarHBondContact O-N 3.09Å |
| 83 | V | 90.2 | Very high | 86.8 | Confident | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -77.1 | -61.2 | -173.9 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | F78 F79 L87 E88 I104 | F78-V83 HydrophobicContact CD1-CG2 4.46Å; F78-V83 HydrophobicContact CE1-CG2 4.11Å; F78-V83 HydrophobicContact CE2-CG2 4.49Å; F78-V83 HydrophobicContact CZ-CG2 4.12Å; F78-V83 WeakPolarHBondContact O-CG2 3.28Å; F78-V83 PolarHBondContact O-N 2.82Å; F79-V83 WeakPolarHBondContact O-CB 3.44Å; V83-L87 WeakPolarHBondContact O-CB 3.22Å; V83-L87 PolarHBondContact O-N 2.84Å; V83-E88 PolarHBondContact O-N 3.35Å; V83-E88 VanDerWaalsContact O-N 3.08Å; V83-I104 HydrophobicContact CB-CG2 4.32Å; V83-I104 HydrophobicContact CG1-CD1 3.59Å; V83-I104 HydrophobicContact CG1-CG1 4.01Å; V83-I104 HydrophobicContact CG1-CG2 3.68Å |
| 84 | D | 85.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -62.1 | -59.2 | -178.9 | 177.5 | 64.2 | 0 | 0 | 0 | 111.3 | F79 I80 E88 D89 E108 | F79-D84 PolarHBondContact O-N 3.25Å; I80-D84 WeakPolarHBondContact O-CB 3.37Å; D84-E88 WeakPolarHBondContact O-CB 3.47Å; D84-D89 PolarHBondContact O-N 3.41Å; D84-E108 WeakPolarHBondContact CB-OE1 3.37Å |
| 85 | F | 86.4 | Confident | 83.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -80.5 | -46.4 | -172.7 | -172 | -83.4 | 0 | 0 | 0 | 115.2 | H5 P29 V30 Y33 I80 D89 | H5-F85 AromaticContact CD2-CE2 3.93Å; H5-F85 AromaticContact NE2-CE2 3.96Å; P29-F85 HydrophobicContact CB-CE2 4.03Å; P29-F85 HydrophobicContact CB-CZ 3.63Å; V30-F85 HydrophobicContact CB-CE1 4.49Å; V30-F85 HydrophobicContact CG2-CE1 4.1Å; V30-F85 HydrophobicContact CG2-CZ 4.16Å; Y33-F85 AromaticContact CD2-CD1 3.32Å; Y33-F85 HydrophobicContact CD2-CD1 3.32Å; Y33-F85 AromaticContact CD2-CD2 3.65Å; Y33-F85 HydrophobicContact CD2-CD2 3.65Å; Y33-F85 AromaticContact CD2-CE1 3.34Å; Y33-F85 HydrophobicContact CD2-CE1 3.34Å; Y33-F85 AromaticContact CD2-CE2 3.6Å; Y33-F85 HydrophobicContact CD2-CE2 3.6Å; Y33-F85 AromaticContact CD2-CG 3.52Å; Y33-F85 HydrophobicContact CD2-CG 3.52Å; Y33-F85 AromaticContact CD2-CZ 3.48Å; Y33-F85 HydrophobicContact CD2-CZ 3.48Å; Y33-F85 VanDerWaalsContact CD2-CZ 3.48Å; Y33-F85 HydrophobicContact CE2-CD1 4.14Å; Y33-F85 AromaticContact CE2-CD2 3.58Å; Y33-F85 HydrophobicContact CE2-CD2 3.58Å; Y33-F85 HydrophobicContact CE2-CE1 4.18Å; Y33-F85 AromaticContact CE2-CE2 3.55Å; Y33-F85 HydrophobicContact CE2-CE2 3.55Å; Y33-F85 AromaticContact CE2-CG 3.9Å; Y33-F85 HydrophobicContact CE2-CG 3.9Å; Y33-F85 AromaticContact CE2-CZ 3.9Å; Y33-F85 HydrophobicContact CE2-CZ 3.9Å; Y33-F85 AromaticContact CG-CD1 3.68Å; Y33-F85 HydrophobicContact CG-CD1 3.68Å; Y33-F85 HydrophobicContact CG-CE1 4.03Å; Y33-F85 AromaticContact CG-CG 4Å; Y33-F85 HydrophobicContact CG-CG 4Å; I80-F85 PolarHBondContact O-N 2.79Å; F85-D89 WeakPolarHBondContact O-CB 3.48Å |
| 86 | L | 84.9 | Confident | 82.4 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -87.1 | -41.3 | -173.3 | -70.2 | 172.3 | 0 | 0 | 0 | 112.8 | V30 L37 V81 F82 F90 I91 | V30-L86 HydrophobicContact CG1-CD2 4.5Å; L37-L86 HydrophobicContact CD2-CD1 3.8Å; V81-L86 VanDerWaalsContact O-CG 3.24Å; V81-L86 WeakPolarHBondContact O-CG 3.35Å; V81-L86 PolarHBondContact O-N 3.33Å; F82-L86 WeakPolarHBondContact O-CB 3.25Å; F82-L86 PolarHBondContact O-N 3.26Å; L86-F90 WeakPolarHBondContact O-CB 2.99Å; L86-I91 VanDerWaalsContact O-CG1 3.25Å; L86-I91 WeakPolarHBondContact O-CG1 2.81Å; L86-I91 PolarHBondContact O-N 2.99Å |
| 87 | L | 82.4 | Confident | 81.3 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -80.4 | -51.7 | -174.6 | -178.6 | 63.7 | 0 | 0 | 0 | 111.7 | F82 V83 I91 L92 | F82-L87 WeakPolarHBondContact O-CB 3.42Å; F82-L87 PolarHBondContact O-N 3.09Å; V83-L87 WeakPolarHBondContact O-CB 3.22Å; V83-L87 PolarHBondContact O-N 2.84Å; L87-I91 HydrophobicContact CD1-CB 4.23Å; L87-I91 HydrophobicContact CD1-CD1 4.29Å; L87-I91 HydrophobicContact CD1-CG2 4.18Å; L87-I91 PolarHBondContact O-N 3.09Å; L87-L92 HydrophobicContact CD1-CD1 4.09Å; L87-L92 HydrophobicContact CD1-CG 4.09Å; L87-L92 HydrophobicContact CG-CD1 3.93Å; L87-L92 HydrophobicContact CG-CG 4.37Å; L87-L92 WeakPolarHBondContact O-CB 3.24Å; L87-L92 WeakPolarHBondContact O-CG 3.38Å; L87-L92 PolarHBondContact O-N 2.79Å |
| 88 | E | 75.8 | Confident | 80.2 | Confident | 21 Ų | 21 | 58 Ų | 58 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -75.8 | -56.9 | -176.5 | 178.3 | 155.2 | -158.3 | 0 | 0 | 112.3 | V83 D84 F90 N93 M96 | V83-E88 PolarHBondContact O-N 3.35Å; V83-E88 VanDerWaalsContact O-N 3.08Å; D84-E88 WeakPolarHBondContact O-CB 3.47Å; E88-F90 PolarHBondContact O-N 3.08Å; E88-N93 PolarHBondContact O-N 2.96Å; E88-M96 HydrophobicContact CB-CG 4.45Å; E88-M96 HydrophobicContact CG-CG 4.3Å; E88-M96 PolarHBondContact OE1-N 3.07Å; E88-M96 VanDerWaalsContact OE1-N 3.11Å |
| 89 | D | 73.2 | Confident | 79.2 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -70.3 | -28.5 | -175.4 | -84.5 | -19 | 0 | 0 | 0 | 114.5 | H3 H5 D84 F85 N93 | H3-D89 WeakPolarHBondContact CB-OD2 3.37Å; H5-D89 IonicContact CD2-OD2 3.82Å; D84-D89 PolarHBondContact O-N 3.41Å; F85-D89 WeakPolarHBondContact O-CB 3.48Å; D89-N93 PolarHBondContact O-OD1 3.43Å |
| 90 | F | 71.4 | Confident | 78.6 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 36% | 0.36 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -117.8 | -49.1 | -171 | -175.4 | -100.9 | 0 | 0 | 0 | 114.8 | V30 L86 E88 | V30-F90 HydrophobicContact CG1-CD1 4.31Å; V30-F90 HydrophobicContact CG1-CD2 4.11Å; V30-F90 HydrophobicContact CG1-CE1 4.23Å; V30-F90 HydrophobicContact CG1-CE2 4.03Å; V30-F90 HydrophobicContact CG1-CG 4.25Å; V30-F90 HydrophobicContact CG1-CZ 4.09Å; V30-F90 HydrophobicContact CG2-CD2 3.81Å; V30-F90 HydrophobicContact CG2-CE2 4.13Å; V30-F90 HydrophobicContact CG2-CG 4.39Å; L86-F90 WeakPolarHBondContact O-CB 2.99Å; E88-F90 PolarHBondContact O-N 3.08Å |
| 91 | I | 76 | Confident | 78.1 | Confident | 106 Ų | 106 | 59.4 Ų | 59.4 | 54% | 0.544 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -77.7 | -51 | -175.8 | -66.9 | 168.3 | 0 | 0 | 0 | 111.1 | L86 L87 | L86-I91 VanDerWaalsContact O-CG1 3.25Å; L86-I91 WeakPolarHBondContact O-CG1 2.81Å; L86-I91 PolarHBondContact O-N 2.99Å; L87-I91 HydrophobicContact CD1-CB 4.23Å; L87-I91 HydrophobicContact CD1-CD1 4.29Å; L87-I91 HydrophobicContact CD1-CG2 4.18Å; L87-I91 PolarHBondContact O-N 3.09Å |
| 92 | L | 73.7 | Confident | 77.7 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -79.8 | -34.6 | -176.7 | -69.8 | 172.7 | 0 | 0 | 0 | 111.3 | L87 M94 M96 | L87-L92 HydrophobicContact CD1-CD1 4.09Å; L87-L92 HydrophobicContact CD1-CG 4.09Å; L87-L92 HydrophobicContact CG-CD1 3.93Å; L87-L92 HydrophobicContact CG-CG 4.37Å; L87-L92 WeakPolarHBondContact O-CB 3.24Å; L87-L92 WeakPolarHBondContact O-CG 3.38Å; L87-L92 PolarHBondContact O-N 2.79Å; L92-M94 HydrophobicContact CB-CB 4.43Å; L92-M94 WeakPolarHBondContact O-CG 3.45Å; L92-M94 PolarHBondContact O-N 3.31Å; L92-M96 HydrophobicContact CD1-CG 4.46Å; L92-M96 HydrophobicContact CD1-SD 3.49Å; L92-M96 WeakPolarHBondContact CD1-SD 3.4Å |
| 93 | N | 69.5 | Low | 77.5 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | trans | 46.8 | 24.4 | -170.7 | -81.1 | -28.5 | 0 | 0 | 0 | 112.2 | E88 D89 | E88-N93 PolarHBondContact O-N 2.96Å; D89-N93 PolarHBondContact O-OD1 3.43Å | ||
| 94 | M | 68.7 | Low | 77.5 | Confident | 132 Ų | 132 | 61.6 Ų | 61.6 | 65% | 0.65 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -138.5 | 131.5 | -174.1 | -75 | -163.9 | -61.2 | 0 | 0 | 106.5 | L92 M96 | L92-M94 HydrophobicContact CB-CB 4.43Å; L92-M94 WeakPolarHBondContact O-CG 3.45Å; L92-M94 PolarHBondContact O-N 3.31Å; M94-M96 PolarHBondContact O-N 3.39Å |
| 95 | Q | 63.8 | Low | 77.5 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 128.9 | 175.9 | -170 | 165.6 | 2.8 | 0 | 0 | 109.3 | ||
| 96 | M | 66.7 | Low | 77.8 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -60 | 152.1 | 173.9 | -74.1 | -70.2 | -81.5 | 0 | 0 | 109.4 | E88 L92 M94 Q98 P100 D101 I104 | E88-M96 HydrophobicContact CB-CG 4.45Å; E88-M96 HydrophobicContact CG-CG 4.3Å; E88-M96 PolarHBondContact OE1-N 3.07Å; E88-M96 VanDerWaalsContact OE1-N 3.11Å; L92-M96 HydrophobicContact CD1-CG 4.46Å; L92-M96 HydrophobicContact CD1-SD 3.49Å; L92-M96 WeakPolarHBondContact CD1-SD 3.4Å; M94-M96 PolarHBondContact O-N 3.39Å; M96-Q98 PolarHBondContact O-N 2.88Å; M96-P100 HydrophobicContact CE-CB 4.46Å; M96-D101 HydrophobicContact CB-CB 4.06Å; M96-I104 HydrophobicContact CE-CD1 4.4Å |
| 97 | P | 74.5 | Confident | 78.3 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -53 | 140.9 | 174.5 | -22.8 | 31.8 | 0 | 0 | 0 | 110.3 | V99 P100 D101 | P97-V99 PolarHBondContact O-N 3.46Å; P97-P100 HydrophobicContact CB-CG 4.11Å; P97-P100 HydrophobicContact CG-CG 4.48Å; P97-P100 WeakPolarHBondContact O-CD 3.39Å; P97-D101 PolarHBondContact O-N 3.34Å; P97-D101 VanDerWaalsContact O-N 3.15Å |
| 98 | Q | 73.3 | Confident | 78.8 | Confident | 142 Ų | 142 | 61.2 Ų | 61.2 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -52.2 | -32 | -166.4 | -68.1 | -171.8 | -32.2 | 0 | 0 | 115.5 | M96 K102 | M96-Q98 PolarHBondContact O-N 2.88Å; Q98-K102 WeakPolarHBondContact O-CD 3.33Å; Q98-K102 VanDerWaalsContact O-CG 3.22Å; Q98-K102 WeakPolarHBondContact O-CG 3.06Å; Q98-K102 PolarHBondContact O-N 3.26Å |
| 99 | V | 75 | Confident | 79.6 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.6 | -53.7 | -178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | P97 D101 K102 I103 | P97-V99 PolarHBondContact O-N 3.46Å; V99-D101 VanDerWaalsContact C-N 3.3Å; V99-D101 PolarHBondContact O-N 2.83Å; V99-K102 PolarHBondContact O-N 2.84Å; V99-I103 HydrophobicContact CG1-CD1 3.85Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 3.33Å; V99-I103 VanDerWaalsContact O-N 3.11Å |
| 100 | P | 81.3 | Confident | 80.6 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -48.4 | -48.2 | 170.3 | -30.3 | 30.6 | 0 | 0 | 0 | 114.2 | M96 P97 I103 I104 | M96-P100 HydrophobicContact CE-CB 4.46Å; P97-P100 HydrophobicContact CB-CG 4.11Å; P97-P100 HydrophobicContact CG-CG 4.48Å; P97-P100 WeakPolarHBondContact O-CD 3.39Å; P100-I103 PolarHBondContact O-N 2.66Å; P100-I104 WeakPolarHBondContact O-CD1 3.32Å; P100-I104 VanDerWaalsContact O-CG1 3.25Å; P100-I104 WeakPolarHBondContact O-CG1 3.33Å; P100-I104 PolarHBondContact O-N 2.84Å |
| 101 | D | 82.4 | Confident | 81.8 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.6 | -55.9 | 179.7 | 176 | 26.6 | 0 | 0 | 0 | 111.6 | M96 P97 V99 I103 I104 E105 | M96-D101 HydrophobicContact CB-CB 4.06Å; P97-D101 PolarHBondContact O-N 3.34Å; P97-D101 VanDerWaalsContact O-N 3.15Å; V99-D101 VanDerWaalsContact C-N 3.3Å; V99-D101 PolarHBondContact O-N 2.83Å; D101-I103 VanDerWaalsContact C-N 3.26Å; D101-I103 PolarHBondContact O-N 2.68Å; D101-I104 WeakPolarHBondContact O-CB 3.42Å; D101-I104 PolarHBondContact O-N 3.44Å; D101-E105 PolarHBondContact O-N 2.91Å |
| 102 | K | 84.9 | Confident | 82.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -31.9 | 178.2 | -69.3 | 173.4 | 177.9 | 176.2 | 0 | 114 | Q98 V99 V106 Y164 N168 | Q98-K102 WeakPolarHBondContact O-CD 3.33Å; Q98-K102 VanDerWaalsContact O-CG 3.22Å; Q98-K102 WeakPolarHBondContact O-CG 3.06Å; Q98-K102 PolarHBondContact O-N 3.26Å; V99-K102 PolarHBondContact O-N 2.84Å; K102-V106 WeakPolarHBondContact O-CG2 3.34Å; K102-V106 PolarHBondContact O-N 3.25Å; K102-Y164 HydrophobicContact CB-CD2 3.64Å; K102-Y164 HydrophobicContact CB-CE2 3.44Å; K102-Y164 VanDerWaalsContact CB-CE2 3.44Å; K102-Y164 HydrophobicContact CB-CG 4.44Å; K102-Y164 HydrophobicContact CD-CE1 4.26Å; K102-Y164 HydrophobicContact CD-CE2 4.15Å; K102-Y164 HydrophobicContact CG-CE2 4.4Å; K102-N168 WeakPolarHBondContact CE-OD1 3.28Å; K102-N168 PolarHBondContact NZ-OD1 3.35Å |
| 103 | I | 88.9 | Confident | 83.6 | Confident | 83 Ų | 83 | 48 Ų | 48 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.2 | -41.7 | 175.8 | -68.8 | 169.6 | 0 | 0 | 0 | 110.2 | V99 P100 D101 E105 V106 L107 | V99-I103 HydrophobicContact CG1-CD1 3.85Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 3.33Å; V99-I103 VanDerWaalsContact O-N 3.11Å; P100-I103 PolarHBondContact O-N 2.66Å; D101-I103 VanDerWaalsContact C-N 3.26Å; D101-I103 PolarHBondContact O-N 2.68Å; I103-E105 VanDerWaalsContact C-N 3.32Å; I103-V106 PolarHBondContact O-N 3.08Å; I103-L107 HydrophobicContact CG2-CD1 3.94Å; I103-L107 HydrophobicContact CG2-CG 4.49Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.19Å; I103-L107 PolarHBondContact O-N 2.84Å; I103-L107 VanDerWaalsContact O-N 3.08Å |
| 104 | I | 88.9 | Confident | 84.9 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.7 | -68.7 | 159.2 | 0 | 0 | 0 | 109.3 | V83 M96 P100 D101 V106 L107 E108 | V83-I104 HydrophobicContact CB-CG2 4.32Å; V83-I104 HydrophobicContact CG1-CD1 3.59Å; V83-I104 HydrophobicContact CG1-CG1 4.01Å; V83-I104 HydrophobicContact CG1-CG2 3.68Å; M96-I104 HydrophobicContact CE-CD1 4.4Å; P100-I104 WeakPolarHBondContact O-CD1 3.32Å; P100-I104 VanDerWaalsContact O-CG1 3.25Å; P100-I104 WeakPolarHBondContact O-CG1 3.33Å; P100-I104 PolarHBondContact O-N 2.84Å; D101-I104 WeakPolarHBondContact O-CB 3.42Å; D101-I104 PolarHBondContact O-N 3.44Å; I104-V106 PolarHBondContact O-N 3.01Å; I104-L107 CarbonylContact O-C 3.46Å; I104-L107 WeakPolarHBondContact O-CA 3.18Å; I104-L107 WeakPolarHBondContact O-CB 3.37Å; I104-L107 PolarHBondContact O-N 3.29Å; I104-E108 HydrophobicContact CG2-CG 4.36Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.47Å; I104-E108 WeakPolarHBondContact O-CG 3.23Å; I104-E108 PolarHBondContact O-N 3.39Å |
| 105 | E | 87.2 | Confident | 86.1 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 179.3 | -169.4 | -179.8 | -159.4 | 0 | 0 | 112.6 | D101 I103 L107 E108 F109 P167 | D101-E105 PolarHBondContact O-N 2.91Å; I103-E105 VanDerWaalsContact C-N 3.32Å; E105-L107 VanDerWaalsContact C-N 3.27Å; E105-L107 PolarHBondContact O-N 3.11Å; E105-E108 WeakPolarHBondContact O-CB 3.31Å; E105-E108 PolarHBondContact O-N 3.18Å; E105-F109 HydrophobicContact CG-CD2 3.87Å; E105-F109 HydrophobicContact CG-CE2 3.62Å; E105-F109 WeakPolarHBondContact O-CD2 3.36Å; E105-F109 PolarHBondContact O-N 2.84Å; E105-P167 WeakPolarHBondContact OE2-CD 3.33Å; E105-P167 WeakPolarHBondContact OE2-CG 3.19Å |
| 106 | V | 92.2 | Very high | 87.5 | Confident | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | K102 I103 I104 S110 Y164 | K102-V106 WeakPolarHBondContact O-CG2 3.34Å; K102-V106 PolarHBondContact O-N 3.25Å; I103-V106 PolarHBondContact O-N 3.08Å; I104-V106 PolarHBondContact O-N 3.01Å; V106-S110 VanDerWaalsContact O-CB 3.25Å; V106-S110 WeakPolarHBondContact O-CB 3.46Å; V106-S110 PolarHBondContact O-N 3.31Å; V106-Y164 HydrophobicContact CG2-CD2 4.27Å; V106-Y164 HydrophobicContact CG2-CG 4.47Å |
| 107 | L | 94.9 | Very high | 88.9 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -70.7 | -33.6 | 179 | -68.4 | 169.7 | 0 | 0 | 0 | 112.3 | F79 I103 I104 E105 S111 F157 | F79-L107 HydrophobicContact CD1-CB 3.99Å; F79-L107 HydrophobicContact CD1-CD1 4.29Å; F79-L107 HydrophobicContact CD2-CB 4.11Å; F79-L107 HydrophobicContact CE1-CB 4.03Å; F79-L107 HydrophobicContact CE1-CD1 3.62Å; F79-L107 HydrophobicContact CE1-CG 4.4Å; F79-L107 HydrophobicContact CE2-CB 4.12Å; F79-L107 HydrophobicContact CG-CB 4.05Å; F79-L107 HydrophobicContact CZ-CB 4.09Å; F79-L107 HydrophobicContact CZ-CD1 3.8Å; F79-L107 HydrophobicContact CZ-CD2 4.48Å; F79-L107 HydrophobicContact CZ-CG 4.35Å; I103-L107 HydrophobicContact CG2-CD1 3.94Å; I103-L107 HydrophobicContact CG2-CG 4.49Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.19Å; I103-L107 PolarHBondContact O-N 2.84Å; I103-L107 VanDerWaalsContact O-N 3.08Å; I104-L107 CarbonylContact O-C 3.46Å; I104-L107 WeakPolarHBondContact O-CA 3.18Å; I104-L107 WeakPolarHBondContact O-CB 3.37Å; I104-L107 PolarHBondContact O-N 3.29Å; E105-L107 VanDerWaalsContact C-N 3.27Å; E105-L107 PolarHBondContact O-N 3.11Å; L107-S111 VanDerWaalsContact O-CB 3.28Å; L107-S111 WeakPolarHBondContact O-CB 3.27Å; L107-S111 PolarHBondContact O-N 3.45Å; L107-S111 PolarHBondContact O-OG 3.45Å; L107-F157 HydrophobicContact CD2-CE2 4.28Å |
| 108 | E | 92.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -52.8 | 172.1 | -67.4 | 167.6 | -146.3 | 0 | 0 | 111.4 | M1 F79 I80 D84 I104 E105 S110 S111 I112 | M1-E108 HydrophobicContact CE-CB 3.86Å; M1-E108 WeakPolarHBondContact CE-OE2 3.42Å; F79-E108 HydrophobicContact CB-CG 4.06Å; I80-E108 HydrophobicContact CD1-CB 4.13Å; I80-E108 HydrophobicContact CG1-CB 3.63Å; I80-E108 HydrophobicContact CG1-CG 3.56Å; D84-E108 WeakPolarHBondContact CB-OE1 3.37Å; I104-E108 HydrophobicContact CG2-CG 4.36Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.47Å; I104-E108 WeakPolarHBondContact O-CG 3.23Å; I104-E108 PolarHBondContact O-N 3.39Å; E105-E108 WeakPolarHBondContact O-CB 3.31Å; E105-E108 PolarHBondContact O-N 3.18Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.25Å; E108-S111 PolarHBondContact O-N 3.47Å; E108-S111 VanDerWaalsContact O-N 3.16Å; E108-I112 PolarHBondContact O-N 3.41Å |
| 109 | F | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 177.8 | -80.6 | -69.7 | 0 | 0 | 0 | 110.8 | E105 S111 I112 H113 S160 Y163 H187 | E105-F109 HydrophobicContact CG-CD2 3.87Å; E105-F109 HydrophobicContact CG-CE2 3.62Å; E105-F109 WeakPolarHBondContact O-CD2 3.36Å; E105-F109 PolarHBondContact O-N 2.84Å; F109-S111 VanDerWaalsContact C-N 3.33Å; F109-S111 PolarHBondContact O-N 3.02Å; F109-I112 PolarHBondContact O-N 3.01Å; F109-H113 VanDerWaalsContact O-CB 3.3Å; F109-H113 WeakPolarHBondContact O-CB 3.48Å; F109-H113 PolarHBondContact O-CD2 3.47Å; F109-H113 PolarHBondContact O-N 3.05Å; F109-S160 VanDerWaalsContact C-OG 3.32Å; F109-Y163 HydrophobicContact CB-CD2 4.32Å; F109-Y163 HydrophobicContact CB-CG 4.37Å; F109-Y163 AromaticContact CD1-CD1 3.9Å; F109-Y163 HydrophobicContact CD1-CD1 3.9Å; F109-Y163 AromaticContact CD1-CE1 3.94Å; F109-Y163 HydrophobicContact CD1-CE1 3.94Å; F109-Y163 HydrophobicContact CD1-CG 4.18Å; F109-Y163 VanDerWaalsContact CD2-CB 3.42Å; F109-Y163 AromaticContact CD2-CD1 3.74Å; F109-Y163 HydrophobicContact CD2-CD1 3.74Å; F109-Y163 HydrophobicContact CD2-CD2 4.35Å; F109-Y163 AromaticContact CD2-CG 3.58Å; F109-Y163 HydrophobicContact CD2-CG 3.58Å; F109-Y163 AromaticContact CE1-CD1 3.68Å; F109-Y163 HydrophobicContact CE1-CD1 3.68Å; F109-Y163 AromaticContact CE1-CE1 3.69Å; F109-Y163 HydrophobicContact CE1-CE1 3.69Å; F109-Y163 HydrophobicContact CE1-CG 4.38Å; F109-Y163 AromaticContact CE2-CD1 3.51Å; F109-Y163 HydrophobicContact CE2-CD1 3.51Å; F109-Y163 HydrophobicContact CE2-CE1 4.37Å; F109-Y163 AromaticContact CE2-CG 3.82Å; F109-Y163 HydrophobicContact CE2-CG 3.82Å; F109-Y163 AromaticContact CG-CD1 3.93Å; F109-Y163 HydrophobicContact CG-CD1 3.93Å; F109-Y163 HydrophobicContact CG-CD2 4.16Å; F109-Y163 HydrophobicContact CG-CE1 4.39Å; F109-Y163 AromaticContact CG-CG 3.79Å; F109-Y163 HydrophobicContact CG-CG 3.79Å; F109-Y163 AromaticContact CZ-CD1 3.48Å; F109-Y163 HydrophobicContact CZ-CD1 3.48Å; F109-Y163 VanDerWaalsContact CZ-CD1 3.48Å; F109-Y163 AromaticContact CZ-CE1 3.93Å; F109-Y163 HydrophobicContact CZ-CE1 3.93Å; F109-Y163 HydrophobicContact CZ-CG 4.21Å; F109-H187 AromaticContact CD1-CE1 3.55Å; F109-H187 AromaticContact CD1-ND1 3.76Å; F109-H187 AromaticContact CE1-CE1 3.36Å; F109-H187 WeakPolarHBondContact CE1-CE1 3.23Å; F109-H187 AromaticContact CE1-ND1 3.58Å |
| 110 | S | 95.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 8% | 0.084 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 176.7 | 178 | 0 | 0 | 0 | 0 | 112 | V106 E108 H113 T114 F157 S160 | V106-S110 VanDerWaalsContact O-CB 3.25Å; V106-S110 WeakPolarHBondContact O-CB 3.46Å; V106-S110 PolarHBondContact O-N 3.31Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.25Å; S110-H113 PolarHBondContact O-N 2.92Å; S110-T114 VanDerWaalsContact O-CB 3.26Å; S110-T114 WeakPolarHBondContact O-CB 3.19Å; S110-T114 PolarHBondContact O-N 3.29Å; S110-T114 PolarHBondContact O-OG1 3.44Å; S110-F157 WeakPolarHBondContact OG-CA 3.14Å; S110-S160 WeakPolarHBondContact CA-OG 3.41Å; S110-S160 PolarHBondContact N-OG 3.31Å |
| 111 | S | 96.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.1 | -45.4 | -178.7 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L75 V76 F79 L107 E108 F109 T114 S115 | L75-S111 WeakPolarHBondContact CB-OG 3.48Å; V76-S111 VanDerWaalsContact CG2-C 3.5Å; V76-S111 WeakPolarHBondContact CG2-O 3.45Å; F79-S111 WeakPolarHBondContact CD2-OG 3.3Å; L107-S111 VanDerWaalsContact O-CB 3.28Å; L107-S111 WeakPolarHBondContact O-CB 3.27Å; L107-S111 PolarHBondContact O-N 3.45Å; L107-S111 PolarHBondContact O-OG 3.45Å; E108-S111 PolarHBondContact O-N 3.47Å; E108-S111 VanDerWaalsContact O-N 3.16Å; F109-S111 VanDerWaalsContact C-N 3.33Å; F109-S111 PolarHBondContact O-N 3.02Å; S111-T114 PolarHBondContact O-N 3.4Å; S111-S115 PolarHBondContact O-N 3.37Å |
| 112 | I | 93.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -54 | 173.2 | -78.4 | 167.4 | 0 | 0 | 0 | 110.2 | M1 V76 I80 E108 F109 T114 S115 I116 W241 | M1-I112 HydrophobicContact CE-CD1 3.3Å; M1-I112 HydrophobicContact SD-CD1 4.28Å; V76-I112 HydrophobicContact CG2-CG1 4.27Å; I80-I112 HydrophobicContact CD1-CD1 3.36Å; I80-I112 HydrophobicContact CD1-CG1 3.4Å; I80-I112 VanDerWaalsContact CD1-CG1 3.4Å; E108-I112 PolarHBondContact O-N 3.41Å; F109-I112 PolarHBondContact O-N 3.01Å; I112-T114 PolarHBondContact O-N 2.91Å; I112-S115 PolarHBondContact O-N 2.88Å; I112-S115 VanDerWaalsContact O-N 3.14Å; I112-I116 HydrophobicContact CG2-CD1 3.7Å; I112-I116 HydrophobicContact CG2-CG1 4.42Å; I112-I116 VanDerWaalsContact O-CG1 3.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 2.94Å; I112-W241 HydrophobicContact CB-CH2 4.35Å; I112-W241 HydrophobicContact CD1-CH2 4.14Å; I112-W241 HydrophobicContact CG1-CH2 4.12Å; I112-W241 HydrophobicContact CG2-CH2 3.31Å; I112-W241 HydrophobicContact CG2-CZ2 4.04Å; I112-W241 HydrophobicContact CG2-CZ3 4.03Å |
| 113 | H | 94.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | -176.3 | -75.7 | -157.8 | 0 | 0 | 0 | 109.7 | F109 S110 I116 W117 C156 H187 V191 | F109-H113 VanDerWaalsContact O-CB 3.3Å; F109-H113 WeakPolarHBondContact O-CB 3.48Å; F109-H113 PolarHBondContact O-CD2 3.47Å; F109-H113 PolarHBondContact O-N 3.05Å; S110-H113 PolarHBondContact O-N 2.92Å; H113-I116 PolarHBondContact O-N 3.33Å; H113-W117 VanDerWaalsContact O-CB 3.28Å; H113-W117 WeakPolarHBondContact O-CB 3.25Å; H113-W117 VanDerWaalsContact O-CD1 3.24Å; H113-W117 PolarHBondContact O-N 2.71Å; H113-C156 HydrophobicContact CB-CB 3.81Å; H113-H187 AromaticContact NE2-CE1 3.74Å; H113-H187 AromaticContact NE2-ND1 3.59Å; H113-V191 VanDerWaalsContact CD2-CG2 3.48Å; H113-V191 WeakPolarHBondContact CD2-CG2 3.29Å; H113-V191 WeakPolarHBondContact NE2-CG2 3.41Å |
| 114 | T | 96.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | A72 S110 S111 I112 I116 W117 I118 Y153 C156 | A72-T114 HydrophobicContact CB-CG2 3.88Å; S110-T114 VanDerWaalsContact O-CB 3.26Å; S110-T114 WeakPolarHBondContact O-CB 3.19Å; S110-T114 PolarHBondContact O-N 3.29Å; S110-T114 PolarHBondContact O-OG1 3.44Å; S111-T114 PolarHBondContact O-N 3.4Å; I112-T114 PolarHBondContact O-N 2.91Å; T114-I116 VanDerWaalsContact C-N 3.26Å; T114-I116 PolarHBondContact O-N 2.88Å; T114-W117 PolarHBondContact O-N 3.03Å; T114-I118 HydrophobicContact CG2-CG1 4.08Å; T114-I118 WeakPolarHBondContact O-CB 3.47Å; T114-I118 VanDerWaalsContact O-CG1 3.24Å; T114-I118 WeakPolarHBondContact O-CG1 3.37Å; T114-I118 PolarHBondContact O-N 3.15Å; T114-Y153 HydrophobicContact CG2-CD1 4Å; T114-Y153 HydrophobicContact CG2-CD2 3.49Å; T114-Y153 VanDerWaalsContact CG2-CD2 3.49Å; T114-Y153 HydrophobicContact CG2-CE1 3.88Å; T114-Y153 HydrophobicContact CG2-CE2 3.33Å; T114-Y153 HydrophobicContact CG2-CG 3.83Å; T114-C156 VanDerWaalsContact OG1-CB 3.26Å; T114-C156 WeakPolarHBondContact OG1-CB 3.38Å |
| 115 | S | 94.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 4% | 0.035 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L69 D73 S111 I112 | L69-S115 WeakPolarHBondContact CD1-O 3.32Å; D73-S115 PolarHBondContact OD1-OG 2.76Å; S111-S115 PolarHBondContact O-N 3.37Å; I112-S115 PolarHBondContact O-N 2.88Å; I112-S115 VanDerWaalsContact O-N 3.14Å |
| 116 | I | 92.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69.7 | -56 | 178.7 | -59.5 | 178.6 | 0 | 0 | 0 | 111.2 | I112 H113 T114 I118 T119 V191 P195 F237 W241 | I112-I116 HydrophobicContact CG2-CD1 3.7Å; I112-I116 HydrophobicContact CG2-CG1 4.42Å; I112-I116 VanDerWaalsContact O-CG1 3.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 2.94Å; H113-I116 PolarHBondContact O-N 3.33Å; T114-I116 VanDerWaalsContact C-N 3.26Å; T114-I116 PolarHBondContact O-N 2.88Å; I116-I118 VanDerWaalsContact C-N 3.27Å; I116-I118 PolarHBondContact O-N 3.38Å; I116-T119 WeakPolarHBondContact O-CB 3.4Å; I116-T119 PolarHBondContact O-N 3.14Å; I116-T119 PolarHBondContact O-OG1 3.12Å; I116-V191 HydrophobicContact CD1-CB 4.34Å; I116-V191 HydrophobicContact CD1-CG1 3.56Å; I116-V191 HydrophobicContact CD1-CG2 4.47Å; I116-P195 HydrophobicContact CG2-CB 3.87Å; I116-P195 HydrophobicContact CG2-CG 3.74Å; I116-F237 HydrophobicContact CB-CE2 4.17Å; I116-F237 HydrophobicContact CB-CZ 4.22Å; I116-F237 HydrophobicContact CD1-CE2 3.58Å; I116-F237 HydrophobicContact CD1-CZ 3.71Å; I116-F237 HydrophobicContact CG1-CD2 4.32Å; I116-F237 HydrophobicContact CG1-CE2 3.38Å; I116-F237 HydrophobicContact CG1-CZ 3.78Å; I116-F237 HydrophobicContact CG2-CE1 4.12Å; I116-F237 HydrophobicContact CG2-CE2 3.93Å; I116-F237 HydrophobicContact CG2-CZ 3.49Å; I116-F237 VanDerWaalsContact CG2-CZ 3.49Å; I116-W241 HydrophobicContact CD1-CD2 4.38Å; I116-W241 HydrophobicContact CD1-CE3 4.29Å; I116-W241 HydrophobicContact CD1-CH2 3.93Å; I116-W241 HydrophobicContact CD1-CZ2 3.95Å; I116-W241 HydrophobicContact CD1-CZ3 4.08Å |
| 117 | W | 95.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 16 Ų | 16 | 24% | 0.235 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.5 | -19.5 | -171.4 | -81.7 | 98.9 | 0 | 0 | 0 | 113.7 | H113 T114 T119 V120 P121 V152 T190 V194 P195 | H113-W117 VanDerWaalsContact O-CB 3.28Å; H113-W117 WeakPolarHBondContact O-CB 3.25Å; H113-W117 VanDerWaalsContact O-CD1 3.24Å; H113-W117 PolarHBondContact O-N 2.71Å; T114-W117 PolarHBondContact O-N 3.03Å; W117-T119 VanDerWaalsContact C-N 3.28Å; W117-V120 HydrophobicContact CE3-CB 4.2Å; W117-V120 HydrophobicContact CE3-CG1 4.47Å; W117-V120 HydrophobicContact CE3-CG2 3.91Å; W117-V120 HydrophobicContact CZ3-CG1 4.43Å; W117-V120 HydrophobicContact CZ3-CG2 4.24Å; W117-V120 PolarHBondContact O-N 3.24Å; W117-P121 WeakPolarHBondContact O-CD 3.31Å; W117-V152 HydrophobicContact CB-CG1 3.86Å; W117-T190 HydrophobicContact CZ2-CG2 4.06Å; W117-T190 WeakPolarHBondContact CZ2-O 3.14Å; W117-T190 VanDerWaalsContact NE1-CG2 3.35Å; W117-T190 PolarHBondContact NE1-O 2.79Å; W117-V194 HydrophobicContact CH2-CG1 3.65Å; W117-V194 HydrophobicContact CZ2-CG1 4.2Å; W117-P195 HydrophobicContact CZ2-CG 4.38Å |
| 118 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.5 | -28.5 | 169.4 | -75.8 | -68.5 | 0 | 0 | 0 | 112 | Y65 A68 L69 T114 I116 V120 P121 L122 I149 V152 Y153 | Y65-I118 WeakPolarHBondContact O-CG2 3.15Å; A68-I118 HydrophobicContact CB-CD1 4.18Å; A68-I118 HydrophobicContact CB-CG2 4.24Å; L69-I118 HydrophobicContact CB-CG2 3.95Å; T114-I118 HydrophobicContact CG2-CG1 4.08Å; T114-I118 WeakPolarHBondContact O-CB 3.47Å; T114-I118 VanDerWaalsContact O-CG1 3.24Å; T114-I118 WeakPolarHBondContact O-CG1 3.37Å; T114-I118 PolarHBondContact O-N 3.15Å; I116-I118 VanDerWaalsContact C-N 3.27Å; I116-I118 PolarHBondContact O-N 3.38Å; I118-V120 VanDerWaalsContact C-N 3.28Å; I118-V120 PolarHBondContact O-N 3.38Å; I118-P121 VanDerWaalsContact O-CD 3.3Å; I118-P121 WeakPolarHBondContact O-CD 3.36Å; I118-P121 WeakPolarHBondContact O-CG 3.16Å; I118-L122 WeakPolarHBondContact O-CB 3.46Å; I118-L122 PolarHBondContact O-N 3.12Å; I118-I149 HydrophobicContact CD1-CB 4.29Å; I118-I149 HydrophobicContact CD1-CG1 4.11Å; I118-I149 HydrophobicContact CD1-CG2 4.04Å; I118-V152 HydrophobicContact CD1-CB 3.86Å; I118-V152 HydrophobicContact CD1-CG1 3.69Å; I118-V152 HydrophobicContact CD1-CG2 4.42Å; I118-V152 HydrophobicContact CG1-CG1 3.83Å; I118-Y153 HydrophobicContact CD1-CD2 4.21Å; I118-Y153 HydrophobicContact CD1-CE2 4.04Å; I118-Y153 HydrophobicContact CG1-CD2 4.49Å; I118-Y153 HydrophobicContact CG1-CE2 4.07Å |
| 119 | T | 92.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 15.3 Ų | 15.3 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.2 | -25 | 177 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | L69 I116 W117 L122 T123 F199 I233 | L69-T119 HydrophobicContact CD1-CG2 3.91Å; L69-T119 HydrophobicContact CD2-CG2 3.98Å; I116-T119 WeakPolarHBondContact O-CB 3.4Å; I116-T119 PolarHBondContact O-N 3.14Å; I116-T119 PolarHBondContact O-OG1 3.12Å; W117-T119 VanDerWaalsContact C-N 3.28Å; T119-L122 WeakPolarHBondContact O-CB 3.11Å; T119-L122 PolarHBondContact O-N 3.43Å; T119-T123 VanDerWaalsContact O-CG2 3.29Å; T119-T123 WeakPolarHBondContact O-CG2 3.49Å; T119-T123 PolarHBondContact O-N 3.37Å; T119-T123 PolarHBondContact O-OG1 2.82Å; T119-F199 WeakPolarHBondContact OG1-CZ 3.36Å; T119-I233 HydrophobicContact CG2-CG2 4.36Å |
| 120 | V | 94.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 6% | 0.061 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.1 | -61.3 | 175 | 175.2 | 0 | 0 | 0 | 0 | 113.2 | W117 I118 L122 T123 I124 I198 F199 | W117-V120 HydrophobicContact CE3-CB 4.2Å; W117-V120 HydrophobicContact CE3-CG1 4.47Å; W117-V120 HydrophobicContact CE3-CG2 3.91Å; W117-V120 HydrophobicContact CZ3-CG1 4.43Å; W117-V120 HydrophobicContact CZ3-CG2 4.24Å; W117-V120 PolarHBondContact O-N 3.24Å; I118-V120 VanDerWaalsContact C-N 3.28Å; I118-V120 PolarHBondContact O-N 3.38Å; V120-L122 PolarHBondContact O-N 2.92Å; V120-T123 WeakPolarHBondContact O-CA 3.14Å; V120-T123 PolarHBondContact O-N 3.21Å; V120-T123 PolarHBondContact O-OG1 2.85Å; V120-I124 HydrophobicContact CG1-CD1 3.97Å; V120-I124 WeakPolarHBondContact O-CG1 3.25Å; V120-I124 PolarHBondContact O-N 3.12Å; V120-I198 HydrophobicContact CG1-CD1 4.17Å; V120-I198 HydrophobicContact CG1-CG2 4.17Å; V120-F199 HydrophobicContact CB-CE1 4.47Å; V120-F199 HydrophobicContact CG2-CE1 3.79Å; V120-F199 HydrophobicContact CG2-CZ 3.82Å |
| 121 | P | 95.2 | Very high | 92.5 | Very high | 16 Ų | 16 | 16.2 Ų | 16.2 | 10% | 0.104 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -27.2 | 177.3 | 29.2 | -35.5 | 0 | 0 | 0 | 112.1 | Y65 W117 I118 I124 D125 V148 V152 | Y65-P121 HydrophobicContact CD1-CB 4.48Å; Y65-P121 HydrophobicContact CD1-CG 4.17Å; Y65-P121 HydrophobicContact CE1-CB 3.69Å; Y65-P121 HydrophobicContact CE1-CG 3.73Å; W117-P121 WeakPolarHBondContact O-CD 3.31Å; I118-P121 VanDerWaalsContact O-CD 3.3Å; I118-P121 WeakPolarHBondContact O-CD 3.36Å; I118-P121 WeakPolarHBondContact O-CG 3.16Å; P121-I124 PolarHBondContact O-N 3.25Å; P121-D125 WeakPolarHBondContact O-CB 3.22Å; P121-D125 PolarHBondContact O-N 2.72Å; P121-V148 HydrophobicContact CB-CG1 3.9Å; P121-V148 HydrophobicContact CG-CG1 4.31Å; P121-V152 HydrophobicContact CG-CG2 4.32Å |
| 122 | L | 92.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 168.7 | 174.1 | 63.1 | 0 | 0 | 0 | 111.4 | Y65 L66 I118 T119 V120 D125 R126 L230 | Y65-L122 HydrophobicContact CD2-CB 4.39Å; Y65-L122 HydrophobicContact CD2-CD1 4.28Å; Y65-L122 HydrophobicContact CG-CB 4.15Å; Y65-L122 HydrophobicContact CG-CD1 4.42Å; L66-L122 HydrophobicContact CD2-CD2 3.74Å; L66-L122 HydrophobicContact CG-CD2 4.45Å; I118-L122 WeakPolarHBondContact O-CB 3.46Å; I118-L122 PolarHBondContact O-N 3.12Å; T119-L122 WeakPolarHBondContact O-CB 3.11Å; T119-L122 PolarHBondContact O-N 3.43Å; V120-L122 PolarHBondContact O-N 2.92Å; L122-D125 PolarHBondContact O-N 2.85Å; L122-R126 WeakPolarHBondContact O-CG 3.49Å; L122-R126 PolarHBondContact O-N 3.45Å; L122-R126 VanDerWaalsContact O-N 3.13Å; L122-L230 HydrophobicContact CD2-CD1 3.89Å; L122-L230 HydrophobicContact CG-CD1 3.77Å |
| 123 | T | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 176 | 60.4 | 0 | 0 | 0 | 0 | 113 | T119 V120 D125 R126 Y127 F199 L202 L230 T234 | T119-T123 VanDerWaalsContact O-CG2 3.29Å; T119-T123 WeakPolarHBondContact O-CG2 3.49Å; T119-T123 PolarHBondContact O-N 3.37Å; T119-T123 PolarHBondContact O-OG1 2.82Å; V120-T123 WeakPolarHBondContact O-CA 3.14Å; V120-T123 PolarHBondContact O-N 3.21Å; V120-T123 PolarHBondContact O-OG1 2.85Å; T123-D125 VanDerWaalsContact C-N 3.34Å; T123-D125 PolarHBondContact O-N 3.05Å; T123-R126 PolarHBondContact O-N 2.89Å; T123-Y127 WeakPolarHBondContact O-CB 3.45Å; T123-Y127 PolarHBondContact O-N 3.33Å; T123-F199 HydrophobicContact CG2-CD1 3.68Å; T123-F199 HydrophobicContact CG2-CE1 3.83Å; T123-L202 WeakPolarHBondContact OG1-CD1 3.28Å; T123-L230 HydrophobicContact CG2-CD1 3.57Å; T123-L230 HydrophobicContact CG2-CD2 3.79Å; T123-L230 HydrophobicContact CG2-CG 3.89Å; T123-T234 HydrophobicContact CG2-CG2 3.34Å |
| 124 | I | 93.3 | Very high | 91.4 | Very high | 72 Ų | 72 | 30.7 Ų | 30.7 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.7 | -65.5 | 168.9 | 0 | 0 | 0 | 110.5 | V120 P121 R126 Y127 I128 L202 | V120-I124 HydrophobicContact CG1-CD1 3.97Å; V120-I124 WeakPolarHBondContact O-CG1 3.25Å; V120-I124 PolarHBondContact O-N 3.12Å; P121-I124 PolarHBondContact O-N 3.25Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.07Å; I124-Y127 WeakPolarHBondContact O-CB 3.38Å; I124-Y127 PolarHBondContact O-N 3.48Å; I124-Y127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.87Å; I124-I128 HydrophobicContact CG2-CG1 4.45Å; I124-I128 VanDerWaalsContact O-CG1 3.3Å; I124-I128 WeakPolarHBondContact O-CG1 3.28Å; I124-I128 PolarHBondContact O-N 3.43Å; I124-L202 HydrophobicContact CG1-CD1 3.66Å |
| 125 | D | 92 | Very high | 91 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 177.4 | 176.7 | 88.9 | 0 | 0 | 0 | 112 | S61 Y65 P121 L122 T123 A129 S140 | S61-D125 VanDerWaalsContact CB-OD1 3.3Å; S61-D125 WeakPolarHBondContact CB-OD1 3.43Å; S61-D125 PolarHBondContact OG-OD1 3.31Å; Y65-D125 HydrophobicContact CD2-CB 4.3Å; Y65-D125 HydrophobicContact CE2-CB 3.76Å; P121-D125 WeakPolarHBondContact O-CB 3.22Å; P121-D125 PolarHBondContact O-N 2.72Å; L122-D125 PolarHBondContact O-N 2.85Å; T123-D125 VanDerWaalsContact C-N 3.34Å; T123-D125 PolarHBondContact O-N 3.05Å; D125-A129 WeakPolarHBondContact O-CB 3.43Å; D125-A129 PolarHBondContact O-N 3.44Å; D125-S140 WeakPolarHBondContact OD1-CB 3.29Å; D125-S140 PolarHBondContact OD1-OG 3.48Å |
| 126 | R | 88.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.2 | -37.9 | 173.8 | -64.3 | -57.7 | 87.5 | 179.9 | 0.6 | 112.8 | S62 L122 T123 I124 I128 A129 V130 Y136 I206 L230 | S62-R126 VanDerWaalsContact OG-CZ 3.32Å; S62-R126 PolarHBondContact OG-NH1 2.9Å; S62-R126 PolarHBondContact OG-NH2 3.19Å; L122-R126 WeakPolarHBondContact O-CG 3.49Å; L122-R126 PolarHBondContact O-N 3.45Å; L122-R126 VanDerWaalsContact O-N 3.13Å; T123-R126 PolarHBondContact O-N 2.89Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.07Å; R126-I128 VanDerWaalsContact C-N 3.33Å; R126-I128 PolarHBondContact O-N 2.82Å; R126-A129 WeakPolarHBondContact O-CB 3.26Å; R126-A129 PolarHBondContact O-N 3.48Å; R126-V130 WeakPolarHBondContact O-CG2 3.4Å; R126-V130 PolarHBondContact O-N 3.38Å; R126-Y136 PolarHBondContact NH2-OH 2.97Å; R126-I206 HydrophobicContact CB-CD1 4.47Å; R126-L230 HydrophobicContact CB-CD2 3.38Å; R126-L230 HydrophobicContact CG-CB 4.32Å; R126-L230 HydrophobicContact CG-CD2 3.39Å; R126-L230 HydrophobicContact CG-CG 4.32Å |
| 127 | Y | 90.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.6 | -50.3 | 172.3 | 167.2 | -91.5 | 0 | 0 | 0 | 110.4 | T123 I124 A129 V130 C131 L202 I205 I206 | T123-Y127 WeakPolarHBondContact O-CB 3.45Å; T123-Y127 PolarHBondContact O-N 3.33Å; I124-Y127 WeakPolarHBondContact O-CB 3.38Å; I124-Y127 PolarHBondContact O-N 3.48Å; I124-Y127 VanDerWaalsContact O-N 3.16Å; Y127-A129 VanDerWaalsContact C-N 3.31Å; Y127-A129 PolarHBondContact O-N 3Å; Y127-V130 PolarHBondContact O-N 2.98Å; Y127-V130 VanDerWaalsContact O-N 3.15Å; Y127-C131 HydrophobicContact CD2-CB 4.43Å; Y127-C131 HydrophobicContact CE1-CB 4.28Å; Y127-C131 HydrophobicContact CE2-CB 4.07Å; Y127-C131 WeakPolarHBondContact CE2-SG 3.14Å; Y127-C131 VanDerWaalsContact O-CB 3.3Å; Y127-C131 WeakPolarHBondContact O-CB 3.44Å; Y127-C131 PolarHBondContact O-N 2.97Å; Y127-L202 HydrophobicContact CD2-CD2 4Å; Y127-L202 HydrophobicContact CG-CD2 4.11Å; Y127-I205 HydrophobicContact CD2-CG2 4.27Å; Y127-I205 HydrophobicContact CE2-CB 4.2Å; Y127-I205 HydrophobicContact CE2-CD1 4.24Å; Y127-I205 HydrophobicContact CE2-CG2 3.66Å; Y127-I206 HydrophobicContact CD2-CG1 4.34Å |
| 128 | I | 91 | Very high | 90 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.5 | -63.5 | 162.3 | 0 | 0 | 0 | 110.4 | I124 R126 V130 H132 Y136 V139 | I124-I128 HydrophobicContact CG2-CD1 3.87Å; I124-I128 HydrophobicContact CG2-CG1 4.45Å; I124-I128 VanDerWaalsContact O-CG1 3.3Å; I124-I128 WeakPolarHBondContact O-CG1 3.28Å; I124-I128 PolarHBondContact O-N 3.43Å; R126-I128 VanDerWaalsContact C-N 3.33Å; R126-I128 PolarHBondContact O-N 2.82Å; I128-V130 VanDerWaalsContact C-N 3.26Å; I128-V130 PolarHBondContact O-N 2.66Å; I128-H132 HydrophobicContact CG2-CB 4.34Å; I128-H132 CarbonylContact O-C 3.59Å; I128-H132 VanDerWaalsContact O-CA 3.3Å; I128-H132 WeakPolarHBondContact O-CA 3.44Å; I128-H132 PolarHBondContact O-N 3.26Å; I128-Y136 HydrophobicContact CG2-CD2 4.21Å; I128-V139 HydrophobicContact CD1-CG1 3.98Å; I128-V139 HydrophobicContact CG2-CG1 4.46Å |
| 129 | A | 88.1 | Confident | 89.6 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D125 R126 Y127 Y136 | D125-A129 WeakPolarHBondContact O-CB 3.43Å; D125-A129 PolarHBondContact O-N 3.44Å; R126-A129 WeakPolarHBondContact O-CB 3.26Å; R126-A129 PolarHBondContact O-N 3.48Å; Y127-A129 VanDerWaalsContact C-N 3.31Å; Y127-A129 PolarHBondContact O-N 3Å; A129-Y136 VanDerWaalsContact CA-CD2 3.49Å; A129-Y136 HydrophobicContact CB-CD2 3.53Å; A129-Y136 HydrophobicContact CB-CE2 3.63Å; A129-Y136 HydrophobicContact CB-CG 4.1Å |
| 130 | V | 85.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -89.9 | -46.1 | -178.2 | 173 | 0 | 0 | 0 | 0 | 111.7 | R126 Y127 I128 I206 K209 L210 | R126-V130 WeakPolarHBondContact O-CG2 3.4Å; R126-V130 PolarHBondContact O-N 3.38Å; Y127-V130 PolarHBondContact O-N 2.98Å; Y127-V130 VanDerWaalsContact O-N 3.15Å; I128-V130 VanDerWaalsContact C-N 3.26Å; I128-V130 PolarHBondContact O-N 2.66Å; V130-I206 HydrophobicContact CG2-CG2 4.42Å; V130-K209 HydrophobicContact CG1-CB 4.1Å; V130-K209 HydrophobicContact CG1-CG 4.1Å; V130-L210 HydrophobicContact CG1-CD2 4.02Å; V130-L210 HydrophobicContact CG1-CG 4Å; V130-L210 HydrophobicContact CG2-CD2 4.41Å |
| 131 | C | 88 | Confident | 89.2 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.7 | -30.6 | -173.3 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | Y127 | Y127-C131 HydrophobicContact CD2-CB 4.43Å; Y127-C131 HydrophobicContact CE1-CB 4.28Å; Y127-C131 HydrophobicContact CE2-CB 4.07Å; Y127-C131 WeakPolarHBondContact CE2-SG 3.14Å; Y127-C131 VanDerWaalsContact O-CB 3.3Å; Y127-C131 WeakPolarHBondContact O-CB 3.44Å; Y127-C131 PolarHBondContact O-N 2.97Å |
| 132 | H | 88.6 | Confident | 89 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 39% | 0.394 | 27% | 0.274 | S | S | . | . | trans | -132.7 | 58.7 | -175.1 | -55.6 | -65.8 | 0 | 0 | 0 | 112.5 | I128 L134 K135 Y136 | I128-H132 HydrophobicContact CG2-CB 4.34Å; I128-H132 CarbonylContact O-C 3.59Å; I128-H132 VanDerWaalsContact O-CA 3.3Å; I128-H132 WeakPolarHBondContact O-CA 3.44Å; I128-H132 PolarHBondContact O-N 3.26Å; H132-L134 VanDerWaalsContact C-N 3.28Å; H132-L134 PolarHBondContact O-N 3.13Å; H132-K135 HydrophobicContact CB-CB 4.37Å; H132-K135 PolarHBondContact O-N 2.69Å; H132-Y136 PolarHBondContact O-N 3.46Å | ||
| 133 | P | 85.9 | Confident | 89 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -33.2 | -172.1 | 24.6 | -35.1 | 0 | 0 | 0 | 113.9 | K135 Y136 | P133-K135 VanDerWaalsContact C-N 3.35Å; P133-Y136 PolarHBondContact O-N 3.27Å |
| 134 | L | 86.9 | Confident | 89.2 | Confident | 168 Ų | 168 | 62.3 Ų | 62.3 | 88% | 0.88 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -71.8 | -28 | 179.1 | -59.9 | 178.5 | 0 | 0 | 0 | 112.9 | H132 | H132-L134 VanDerWaalsContact C-N 3.28Å; H132-L134 PolarHBondContact O-N 3.13Å |
| 135 | K | 87.9 | Confident | 89.3 | Confident | 140 Ų | 140 | 59 Ų | 59 | 61% | 0.609 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -94.2 | -13.5 | 177.3 | -62.4 | -174.3 | 178.8 | -175.5 | 0 | 112.6 | H132 P133 H137 T138 V139 | H132-K135 HydrophobicContact CB-CB 4.37Å; H132-K135 PolarHBondContact O-N 2.69Å; P133-K135 VanDerWaalsContact C-N 3.35Å; K135-H137 VanDerWaalsContact C-N 3.35Å; K135-H137 PolarHBondContact O-N 3.26Å; K135-T138 PolarHBondContact O-N 2.95Å; K135-T138 PolarHBondContact O-OG1 3.35Å; K135-V139 HydrophobicContact CB-CG2 4.37Å; K135-V139 WeakPolarHBondContact O-CB 3.15Å; K135-V139 VanDerWaalsContact O-CG2 3.27Å; K135-V139 WeakPolarHBondContact O-CG2 3.33Å; K135-V139 PolarHBondContact O-N 3.09Å |
| 136 | Y | 87.3 | Confident | 89.6 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58 | -44.1 | -175.2 | 171.5 | -98.5 | 0 | 0 | 0 | 112.7 | R126 I128 A129 H132 P133 T138 V139 S140 | R126-Y136 PolarHBondContact NH2-OH 2.97Å; I128-Y136 HydrophobicContact CG2-CD2 4.21Å; A129-Y136 VanDerWaalsContact CA-CD2 3.49Å; A129-Y136 HydrophobicContact CB-CD2 3.53Å; A129-Y136 HydrophobicContact CB-CE2 3.63Å; A129-Y136 HydrophobicContact CB-CG 4.1Å; H132-Y136 PolarHBondContact O-N 3.46Å; P133-Y136 PolarHBondContact O-N 3.27Å; Y136-T138 VanDerWaalsContact C-N 3.31Å; Y136-T138 PolarHBondContact O-N 3.13Å; Y136-V139 PolarHBondContact O-N 2.91Å; Y136-S140 WeakPolarHBondContact O-CA 3.33Å; Y136-S140 WeakPolarHBondContact O-CB 3.4Å; Y136-S140 PolarHBondContact O-N 2.86Å |
| 137 | H | 84.6 | Confident | 90 | Very high | 151 Ų | 151 | 71.2 Ų | 71.2 | 70% | 0.699 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.8 | -36.1 | 179.4 | 158.8 | -95.5 | 0 | 0 | 0 | 113.2 | K135 | K135-H137 VanDerWaalsContact C-N 3.35Å; K135-H137 PolarHBondContact O-N 3.26Å |
| 138 | T | 89 | Confident | 90.4 | Very high | 89 Ų | 89 | 70.4 Ų | 70.4 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -82.7 | -24.2 | -177.9 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | K135 Y136 Y141 | K135-T138 PolarHBondContact O-N 2.95Å; K135-T138 PolarHBondContact O-OG1 3.35Å; Y136-T138 VanDerWaalsContact C-N 3.31Å; Y136-T138 PolarHBondContact O-N 3.13Å; T138-Y141 WeakPolarHBondContact O-CE1 3.32Å |
| 139 | V | 87.6 | Confident | 90.8 | Very high | 43 Ų | 43 | 69.9 Ų | 69.9 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -95.2 | -42.9 | -177.1 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | I128 K135 Y136 R144 | I128-V139 HydrophobicContact CD1-CG1 3.98Å; I128-V139 HydrophobicContact CG2-CG1 4.46Å; K135-V139 HydrophobicContact CB-CG2 4.37Å; K135-V139 WeakPolarHBondContact O-CB 3.15Å; K135-V139 VanDerWaalsContact O-CG2 3.27Å; K135-V139 WeakPolarHBondContact O-CG2 3.33Å; K135-V139 PolarHBondContact O-N 3.09Å; Y136-V139 PolarHBondContact O-N 2.91Å; V139-R144 VanDerWaalsContact CG1-NH1 3.31Å; V139-R144 WeakPolarHBondContact O-CD 3.45Å; V139-R144 PolarHBondContact O-NH1 2.88Å |
| 140 | S | 88.3 | Confident | 91.3 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | trans | -111.5 | 82.7 | -170.4 | -77.7 | 0 | 0 | 0 | 0 | 111.9 | D125 Y136 | D125-S140 WeakPolarHBondContact OD1-CB 3.29Å; D125-S140 PolarHBondContact OD1-OG 3.48Å; Y136-S140 WeakPolarHBondContact O-CA 3.33Å; Y136-S140 WeakPolarHBondContact O-CB 3.4Å; Y136-S140 PolarHBondContact O-N 2.86Å | ||
| 141 | Y | 90.8 | Very high | 91.9 | Very high | 109 Ų | 109 | 75.3 Ų | 75.3 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | trans | -126.2 | 151.6 | 176.3 | 60.4 | -90.2 | 0 | 0 | 0 | 111.7 | T138 A143 R144 T145 | T138-Y141 WeakPolarHBondContact O-CE1 3.32Å; Y141-A143 VanDerWaalsContact C-N 3.34Å; Y141-A143 HydrophobicContact CD2-CB 4.02Å; Y141-A143 HydrophobicContact CE2-CB 3.99Å; Y141-A143 PolarHBondContact O-N 2.86Å; Y141-A143 VanDerWaalsContact O-N 3.15Å; Y141-R144 HydrophobicContact CD1-CB 4.44Å; Y141-R144 HydrophobicContact CD2-CB 4.08Å; Y141-R144 HydrophobicContact CE1-CB 4Å; Y141-R144 HydrophobicContact CE2-CB 3.59Å; Y141-R144 HydrophobicContact CG-CB 4.48Å; Y141-R144 PolarHBondContact O-N 2.86Å; Y141-R144 VanDerWaalsContact O-N 3.16Å; Y141-T145 PolarHBondContact O-N 3.44Å; Y141-T145 PolarHBondContact O-OG1 2.99Å; Y141-T145 VanDerWaalsContact O-OG1 3.08Å | ||
| 142 | P | 91.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 75.3 Ų | 75.3 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.4 | -38.8 | -167.1 | -29.6 | 36.3 | 0 | 0 | 0 | 116 | Q59 R144 T145 R146 | Q59-P142 VanDerWaalsContact C-CG 3.43Å; Q59-P142 HydrophobicContact CB-CG 4.08Å; Q59-P142 WeakPolarHBondContact O-CG 3.31Å; P142-R144 PolarHBondContact O-N 3.42Å; P142-T145 PolarHBondContact O-N 2.9Å; P142-R146 WeakPolarHBondContact O-CG 3.49Å; P142-R146 PolarHBondContact O-N 3.5Å |
| 143 | A | 92.2 | Very high | 92.8 | Very high | 44 Ų | 44 | 74.2 Ų | 74.2 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y141 K147 | Y141-A143 VanDerWaalsContact C-N 3.34Å; Y141-A143 HydrophobicContact CD2-CB 4.02Å; Y141-A143 HydrophobicContact CE2-CB 3.99Å; Y141-A143 PolarHBondContact O-N 2.86Å; Y141-A143 VanDerWaalsContact O-N 3.15Å; A143-K147 PolarHBondContact O-N 3.32Å |
| 144 | R | 95 | Very high | 93.4 | Very high | 116 Ų | 116 | 76 Ų | 76 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 173.5 | -179.2 | -178.7 | 176.9 | -167.6 | 5.7 | 111.5 | V139 Y141 P142 R146 K147 V148 | V139-R144 VanDerWaalsContact CG1-NH1 3.31Å; V139-R144 WeakPolarHBondContact O-CD 3.45Å; V139-R144 PolarHBondContact O-NH1 2.88Å; Y141-R144 HydrophobicContact CD1-CB 4.44Å; Y141-R144 HydrophobicContact CD2-CB 4.08Å; Y141-R144 HydrophobicContact CE1-CB 4Å; Y141-R144 HydrophobicContact CE2-CB 3.59Å; Y141-R144 HydrophobicContact CG-CB 4.48Å; Y141-R144 PolarHBondContact O-N 2.86Å; Y141-R144 VanDerWaalsContact O-N 3.16Å; P142-R144 PolarHBondContact O-N 3.42Å; R144-R146 VanDerWaalsContact C-N 3.28Å; R144-R146 PolarHBondContact O-N 3.31Å; R144-K147 WeakPolarHBondContact O-CB 3.5Å; R144-K147 PolarHBondContact O-N 3.5Å; R144-V148 HydrophobicContact CG-CG2 4.49Å; R144-V148 PolarHBondContact O-N 2.9Å |
| 145 | T | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 177.4 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | S61 N64 Y65 Y141 P142 K147 V148 I149 | S61-T145 VanDerWaalsContact CB-OG1 3.22Å; S61-T145 WeakPolarHBondContact CB-OG1 3.32Å; S61-T145 PolarHBondContact OG-OG1 3.04Å; N64-T145 HydrophobicContact CB-CG2 3.74Å; Y65-T145 HydrophobicContact CD1-CG2 4.08Å; Y65-T145 HydrophobicContact CD2-CG2 3.8Å; Y65-T145 HydrophobicContact CE1-CG2 3.78Å; Y65-T145 HydrophobicContact CE2-CG2 3.51Å; Y65-T145 HydrophobicContact CG-CG2 4.07Å; Y65-T145 VanDerWaalsContact CZ-CG2 3.49Å; Y141-T145 PolarHBondContact O-N 3.44Å; Y141-T145 PolarHBondContact O-OG1 2.99Å; Y141-T145 VanDerWaalsContact O-OG1 3.08Å; P142-T145 PolarHBondContact O-N 2.9Å; T145-K147 VanDerWaalsContact C-N 3.33Å; T145-K147 PolarHBondContact O-N 2.98Å; T145-V148 PolarHBondContact O-N 3.49Å; T145-I149 HydrophobicContact CG2-CD1 3.83Å; T145-I149 HydrophobicContact CG2-CG1 4.45Å; T145-I149 WeakPolarHBondContact O-CG1 3.39Å; T145-I149 PolarHBondContact O-N 3.37Å |
| 146 | R | 97.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 65.3 Ų | 65.3 | 45% | 0.445 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.2 | -72.5 | -173.2 | -61 | -93 | 6.9 | 112.7 | P142 R144 I149 V150 | P142-R146 WeakPolarHBondContact O-CG 3.49Å; P142-R146 PolarHBondContact O-N 3.5Å; R144-R146 VanDerWaalsContact C-N 3.28Å; R144-R146 PolarHBondContact O-N 3.31Å; R146-I149 PolarHBondContact O-N 2.84Å; R146-V150 WeakPolarHBondContact O-CG2 3.49Å; R146-V150 PolarHBondContact O-N 3.41Å |
| 147 | K | 98 | Very high | 94.8 | Very high | 163 Ų | 163 | 67.6 Ų | 67.6 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 174.1 | -66 | -177.7 | 179.6 | -173.7 | 0 | 111.7 | A143 R144 T145 V150 S151 | A143-K147 PolarHBondContact O-N 3.32Å; R144-K147 WeakPolarHBondContact O-CB 3.5Å; R144-K147 PolarHBondContact O-N 3.5Å; T145-K147 VanDerWaalsContact C-N 3.33Å; T145-K147 PolarHBondContact O-N 2.98Å; K147-V150 PolarHBondContact O-N 3.39Å; K147-S151 PolarHBondContact O-N 2.9Å; K147-S151 PolarHBondContact O-OG 2.87Å |
| 148 | V | 98.2 | Very high | 95.3 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 24% | 0.242 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | Y65 P121 R144 T145 S151 V152 | Y65-V148 HydrophobicContact CE1-CG1 4.17Å; P121-V148 HydrophobicContact CB-CG1 3.9Å; P121-V148 HydrophobicContact CG-CG1 4.31Å; R144-V148 HydrophobicContact CG-CG2 4.49Å; R144-V148 PolarHBondContact O-N 2.9Å; T145-V148 PolarHBondContact O-N 3.49Å; V148-S151 WeakPolarHBondContact CA-OG 3.49Å; V148-S151 PolarHBondContact O-N 3.48Å; V148-S151 PolarHBondContact O-OG 2.89Å; V148-V152 WeakPolarHBondContact O-CG2 3.13Å; V148-V152 PolarHBondContact O-N 3.33Å |
| 149 | I | 98.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 176.7 | -70.8 | 162.4 | 0 | 0 | 0 | 110.5 | N64 Y65 A68 I118 T145 R146 S151 V152 Y153 | N64-I149 HydrophobicContact CB-CD1 3.87Å; N64-I149 WeakPolarHBondContact O-CD1 3.27Å; Y65-I149 HydrophobicContact CD1-CD1 3.94Å; Y65-I149 HydrophobicContact CD1-CG1 3.64Å; Y65-I149 HydrophobicContact CE1-CD1 4.33Å; Y65-I149 HydrophobicContact CE1-CG1 3.79Å; A68-I149 HydrophobicContact CB-CB 4.46Å; A68-I149 HydrophobicContact CB-CD1 3.96Å; A68-I149 HydrophobicContact CB-CG1 4.1Å; A68-I149 HydrophobicContact CB-CG2 3.52Å; I118-I149 HydrophobicContact CD1-CB 4.29Å; I118-I149 HydrophobicContact CD1-CG1 4.11Å; I118-I149 HydrophobicContact CD1-CG2 4.04Å; T145-I149 HydrophobicContact CG2-CD1 3.83Å; T145-I149 HydrophobicContact CG2-CG1 4.45Å; T145-I149 WeakPolarHBondContact O-CG1 3.39Å; T145-I149 PolarHBondContact O-N 3.37Å; R146-I149 PolarHBondContact O-N 2.84Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 3.01Å; I149-V152 PolarHBondContact O-N 2.93Å; I149-V152 VanDerWaalsContact O-N 3.1Å; I149-Y153 HydrophobicContact CG2-CD2 4Å; I149-Y153 HydrophobicContact CG2-CE2 3.96Å; I149-Y153 WeakPolarHBondContact O-CD2 3.37Å; I149-Y153 PolarHBondContact O-N 2.84Å |
| 150 | V | 98.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111 | R146 K147 V152 Y153 I154 | R146-V150 WeakPolarHBondContact O-CG2 3.49Å; R146-V150 PolarHBondContact O-N 3.41Å; K147-V150 PolarHBondContact O-N 3.39Å; V150-V152 VanDerWaalsContact C-N 3.33Å; V150-V152 PolarHBondContact O-N 3.26Å; V150-Y153 PolarHBondContact O-N 3.29Å; V150-I154 HydrophobicContact CG1-CD1 3.75Å; V150-I154 HydrophobicContact CG1-CG1 4.43Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 3.42Å |
| 151 | S | 98.5 | Very high | 95.8 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.9 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | K147 V148 I149 I154 T155 | K147-S151 PolarHBondContact O-N 2.9Å; K147-S151 PolarHBondContact O-OG 2.87Å; V148-S151 WeakPolarHBondContact CA-OG 3.49Å; V148-S151 PolarHBondContact O-N 3.48Å; V148-S151 PolarHBondContact O-OG 2.89Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 3.01Å; S151-I154 PolarHBondContact O-N 2.94Å; S151-T155 WeakPolarHBondContact O-CB 3.35Å; S151-T155 PolarHBondContact O-N 3.41Å; S151-T155 PolarHBondContact O-OG1 3.41Å |
| 152 | V | 98.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.8 | 170 | 0 | 0 | 0 | 0 | 110.9 | W117 I118 P121 V148 I149 V150 I154 T155 C156 | W117-V152 HydrophobicContact CB-CG1 3.86Å; I118-V152 HydrophobicContact CD1-CB 3.86Å; I118-V152 HydrophobicContact CD1-CG1 3.69Å; I118-V152 HydrophobicContact CD1-CG2 4.42Å; I118-V152 HydrophobicContact CG1-CG1 3.83Å; P121-V152 HydrophobicContact CG-CG2 4.32Å; V148-V152 WeakPolarHBondContact O-CG2 3.13Å; V148-V152 PolarHBondContact O-N 3.33Å; I149-V152 PolarHBondContact O-N 2.93Å; I149-V152 VanDerWaalsContact O-N 3.1Å; V150-V152 VanDerWaalsContact C-N 3.33Å; V150-V152 PolarHBondContact O-N 3.26Å; V152-I154 PolarHBondContact O-N 3.4Å; V152-T155 PolarHBondContact O-N 3.36Å; V152-C156 WeakPolarHBondContact O-CB 3.43Å; V152-C156 PolarHBondContact O-N 3.18Å; V152-C156 PolarHBondContact O-SG 3.44Å |
| 153 | Y | 98.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 176.7 | -89.3 | -114 | 0 | 0 | 0 | 111.6 | A68 A72 L75 T114 I118 I149 V150 F157 | A68-Y153 HydrophobicContact CB-CE2 4.25Å; A68-Y153 PolarHBondContact O-OH 3.48Å; A72-Y153 PolarHBondContact N-OH 3Å; L75-Y153 HydrophobicContact CD1-CE1 4.45Å; T114-Y153 HydrophobicContact CG2-CD1 4Å; T114-Y153 HydrophobicContact CG2-CD2 3.49Å; T114-Y153 VanDerWaalsContact CG2-CD2 3.49Å; T114-Y153 HydrophobicContact CG2-CE1 3.88Å; T114-Y153 HydrophobicContact CG2-CE2 3.33Å; T114-Y153 HydrophobicContact CG2-CG 3.83Å; I118-Y153 HydrophobicContact CD1-CD2 4.21Å; I118-Y153 HydrophobicContact CD1-CE2 4.04Å; I118-Y153 HydrophobicContact CG1-CD2 4.49Å; I118-Y153 HydrophobicContact CG1-CE2 4.07Å; I149-Y153 HydrophobicContact CG2-CD2 4Å; I149-Y153 HydrophobicContact CG2-CE2 3.96Å; I149-Y153 WeakPolarHBondContact O-CD2 3.37Å; I149-Y153 PolarHBondContact O-N 2.84Å; V150-Y153 PolarHBondContact O-N 3.29Å; Y153-F157 WeakPolarHBondContact O-CB 3.39Å; Y153-F157 PolarHBondContact O-N 3.37Å |
| 154 | I | 98.3 | Very high | 95 | Very high | 94 Ų | 94 | 62.1 Ų | 62.1 | 48% | 0.482 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 178.7 | -66.8 | 168.7 | 0 | 0 | 0 | 110.5 | V150 S151 V152 C156 F157 L158 | V150-I154 HydrophobicContact CG1-CD1 3.75Å; V150-I154 HydrophobicContact CG1-CG1 4.43Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 3.42Å; S151-I154 PolarHBondContact O-N 2.94Å; V152-I154 PolarHBondContact O-N 3.4Å; I154-C156 PolarHBondContact O-N 3.48Å; I154-F157 PolarHBondContact O-N 3.24Å; I154-L158 HydrophobicContact CG2-CD1 3.84Å; I154-L158 HydrophobicContact CG2-CG 4.28Å; I154-L158 WeakPolarHBondContact O-CB 3.4Å; I154-L158 VanDerWaalsContact O-CG 3.27Å; I154-L158 WeakPolarHBondContact O-CG 3.25Å; I154-L158 PolarHBondContact O-N 3.38Å |
| 155 | T | 97.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 180 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | S151 V152 F157 L158 T159 | S151-T155 WeakPolarHBondContact O-CB 3.35Å; S151-T155 PolarHBondContact O-N 3.41Å; S151-T155 PolarHBondContact O-OG1 3.41Å; V152-T155 PolarHBondContact O-N 3.36Å; T155-F157 VanDerWaalsContact C-N 3.33Å; T155-F157 PolarHBondContact O-N 3.37Å; T155-L158 PolarHBondContact O-N 3.01Å; T155-T159 HydrophobicContact CG2-CG2 4.27Å; T155-T159 WeakPolarHBondContact O-CG2 3.41Å; T155-T159 PolarHBondContact O-N 2.93Å; T155-T159 PolarHBondContact O-OG1 3Å; T155-T159 VanDerWaalsContact O-OG1 3.06Å |
| 156 | C | 97.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 179.1 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | H113 T114 V152 I154 T159 S160 | H113-C156 HydrophobicContact CB-CB 3.81Å; T114-C156 VanDerWaalsContact OG1-CB 3.26Å; T114-C156 WeakPolarHBondContact OG1-CB 3.38Å; V152-C156 WeakPolarHBondContact O-CB 3.43Å; V152-C156 PolarHBondContact O-N 3.18Å; V152-C156 PolarHBondContact O-SG 3.44Å; I154-C156 PolarHBondContact O-N 3.48Å; C156-T159 WeakPolarHBondContact CA-OG1 3.43Å; C156-T159 PolarHBondContact O-OG1 3.18Å; C156-S160 WeakPolarHBondContact O-CB 3.39Å; C156-S160 PolarHBondContact O-N 3.17Å; C156-S160 PolarHBondContact O-OG 3.3Å |
| 157 | F | 96.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 173.7 | 178.9 | -102.8 | 0 | 0 | 0 | 111.3 | L107 S110 Y153 I154 T155 T159 S160 I161 | L107-F157 HydrophobicContact CD2-CE2 4.28Å; S110-F157 WeakPolarHBondContact OG-CA 3.14Å; Y153-F157 WeakPolarHBondContact O-CB 3.39Å; Y153-F157 PolarHBondContact O-N 3.37Å; I154-F157 PolarHBondContact O-N 3.24Å; T155-F157 VanDerWaalsContact C-N 3.33Å; T155-F157 PolarHBondContact O-N 3.37Å; F157-T159 PolarHBondContact O-N 3.15Å; F157-S160 WeakPolarHBondContact O-CB 3.31Å; F157-S160 PolarHBondContact O-N 3.37Å; F157-I161 HydrophobicContact CE1-CD1 4.4Å; F157-I161 PolarHBondContact O-N 2.95Å |
| 158 | L | 95.5 | Very high | 90.2 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 179.4 | -69 | 175.7 | 0 | 0 | 0 | 112.5 | I154 T155 S160 I161 | I154-L158 HydrophobicContact CG2-CD1 3.84Å; I154-L158 HydrophobicContact CG2-CG 4.28Å; I154-L158 WeakPolarHBondContact O-CB 3.4Å; I154-L158 VanDerWaalsContact O-CG 3.27Å; I154-L158 WeakPolarHBondContact O-CG 3.25Å; I154-L158 PolarHBondContact O-N 3.38Å; T155-L158 PolarHBondContact O-N 3.01Å; L158-S160 PolarHBondContact O-N 3.2Å; L158-I161 HydrophobicContact CD2-CD1 3.88Å; L158-I161 PolarHBondContact O-N 3.18Å |
| 159 | T | 92.3 | Very high | 88.2 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.4 | -15.4 | 176.4 | 55 | 0 | 0 | 0 | 0 | 113 | T155 C156 F157 P162 Y163 | T155-T159 HydrophobicContact CG2-CG2 4.27Å; T155-T159 WeakPolarHBondContact O-CG2 3.41Å; T155-T159 PolarHBondContact O-N 2.93Å; T155-T159 PolarHBondContact O-OG1 3Å; T155-T159 VanDerWaalsContact O-OG1 3.06Å; C156-T159 WeakPolarHBondContact CA-OG1 3.43Å; C156-T159 PolarHBondContact O-OG1 3.18Å; F157-T159 PolarHBondContact O-N 3.15Å; T159-P162 WeakPolarHBondContact O-CD 3.22Å; T159-Y163 WeakPolarHBondContact O-CE2 3.4Å |
| 160 | S | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -90.3 | -14.3 | 178.2 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | F109 S110 C156 F157 L158 Y163 | F109-S160 VanDerWaalsContact C-OG 3.32Å; S110-S160 WeakPolarHBondContact CA-OG 3.41Å; S110-S160 PolarHBondContact N-OG 3.31Å; C156-S160 WeakPolarHBondContact O-CB 3.39Å; C156-S160 PolarHBondContact O-N 3.17Å; C156-S160 PolarHBondContact O-OG 3.3Å; F157-S160 WeakPolarHBondContact O-CB 3.31Å; F157-S160 PolarHBondContact O-N 3.37Å; L158-S160 PolarHBondContact O-N 3.2Å; S160-Y163 WeakPolarHBondContact O-CB 3.38Å; S160-Y163 WeakPolarHBondContact O-CD2 3.39Å; S160-Y163 PolarHBondContact O-N 3.37Å; S160-Y163 VanDerWaalsContact O-N 3.13Å |
| 161 | I | 91.3 | Very high | 84.2 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -57.8 | -42.5 | 178.7 | -65.9 | 173.2 | 0 | 0 | 0 | 113.2 | F157 L158 Y163 Y164 W165 | F157-I161 HydrophobicContact CE1-CD1 4.4Å; F157-I161 PolarHBondContact O-N 2.95Å; L158-I161 HydrophobicContact CD2-CD1 3.88Å; L158-I161 PolarHBondContact O-N 3.18Å; I161-Y163 PolarHBondContact O-N 2.93Å; I161-Y164 WeakPolarHBondContact O-CB 3.2Å; I161-Y164 PolarHBondContact O-N 3.03Å; I161-W165 HydrophobicContact CG2-CZ3 4.18Å |
| 162 | P | 87.3 | Confident | 82 | Confident | 52 Ų | 52 | 65 Ų | 65 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -58.7 | -21.8 | 178.6 | -26.6 | 36.6 | 0 | 0 | 0 | 114.3 | T159 Y164 W165 L183 | T159-P162 WeakPolarHBondContact O-CD 3.22Å; P162-Y164 PolarHBondContact O-N 2.96Å; P162-W165 PolarHBondContact O-N 2.84Å; P162-L183 HydrophobicContact CB-CD2 4.22Å |
| 163 | Y | 84.8 | Confident | 79.8 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -73.8 | -10.5 | 177.2 | -60.1 | -95 | 0 | 0 | 0 | 112.8 | F109 T159 S160 I161 W165 W166 H187 | F109-Y163 HydrophobicContact CB-CD2 4.32Å; F109-Y163 HydrophobicContact CB-CG 4.37Å; F109-Y163 AromaticContact CD1-CD1 3.9Å; F109-Y163 HydrophobicContact CD1-CD1 3.9Å; F109-Y163 AromaticContact CD1-CE1 3.94Å; F109-Y163 HydrophobicContact CD1-CE1 3.94Å; F109-Y163 HydrophobicContact CD1-CG 4.18Å; F109-Y163 VanDerWaalsContact CD2-CB 3.42Å; F109-Y163 AromaticContact CD2-CD1 3.74Å; F109-Y163 HydrophobicContact CD2-CD1 3.74Å; F109-Y163 HydrophobicContact CD2-CD2 4.35Å; F109-Y163 AromaticContact CD2-CG 3.58Å; F109-Y163 HydrophobicContact CD2-CG 3.58Å; F109-Y163 AromaticContact CE1-CD1 3.68Å; F109-Y163 HydrophobicContact CE1-CD1 3.68Å; F109-Y163 AromaticContact CE1-CE1 3.69Å; F109-Y163 HydrophobicContact CE1-CE1 3.69Å; F109-Y163 HydrophobicContact CE1-CG 4.38Å; F109-Y163 AromaticContact CE2-CD1 3.51Å; F109-Y163 HydrophobicContact CE2-CD1 3.51Å; F109-Y163 HydrophobicContact CE2-CE1 4.37Å; F109-Y163 AromaticContact CE2-CG 3.82Å; F109-Y163 HydrophobicContact CE2-CG 3.82Å; F109-Y163 AromaticContact CG-CD1 3.93Å; F109-Y163 HydrophobicContact CG-CD1 3.93Å; F109-Y163 HydrophobicContact CG-CD2 4.16Å; F109-Y163 HydrophobicContact CG-CE1 4.39Å; F109-Y163 AromaticContact CG-CG 3.79Å; F109-Y163 HydrophobicContact CG-CG 3.79Å; F109-Y163 AromaticContact CZ-CD1 3.48Å; F109-Y163 HydrophobicContact CZ-CD1 3.48Å; F109-Y163 VanDerWaalsContact CZ-CD1 3.48Å; F109-Y163 AromaticContact CZ-CE1 3.93Å; F109-Y163 HydrophobicContact CZ-CE1 3.93Å; F109-Y163 HydrophobicContact CZ-CG 4.21Å; T159-Y163 WeakPolarHBondContact O-CE2 3.4Å; S160-Y163 WeakPolarHBondContact O-CB 3.38Å; S160-Y163 WeakPolarHBondContact O-CD2 3.39Å; S160-Y163 PolarHBondContact O-N 3.37Å; S160-Y163 VanDerWaalsContact O-N 3.13Å; I161-Y163 PolarHBondContact O-N 2.93Å; Y163-W165 PolarHBondContact O-N 3.24Å; Y163-W166 HydrophobicContact CD1-CD2 4.01Å; Y163-W166 AromaticContact CD1-CE3 3.45Å; Y163-W166 HydrophobicContact CD1-CE3 3.45Å; Y163-W166 VanDerWaalsContact CD1-CE3 3.45Å; Y163-W166 HydrophobicContact CD1-CG 4.47Å; Y163-W166 AromaticContact CD1-CZ3 3.76Å; Y163-W166 HydrophobicContact CD1-CZ3 3.76Å; Y163-W166 AromaticContact CE1-CE3 3.77Å; Y163-W166 HydrophobicContact CE1-CE3 3.77Å; Y163-W166 HydrophobicContact CE1-CH2 4.28Å; Y163-W166 AromaticContact CE1-CZ3 3.54Å; Y163-W166 HydrophobicContact CE1-CZ3 3.54Å; Y163-W166 HydrophobicContact CG-CE3 4.47Å; Y163-W166 WeakPolarHBondContact O-CB 3.25Å; Y163-W166 PolarHBondContact O-N 2.84Å; Y163-H187 HydrophobicContact CE1-CB 4.14Å; Y163-H187 AromaticContact CE1-ND1 3.73Å; Y163-H187 AromaticContact CZ-ND1 3.65Å; Y163-H187 VanDerWaalsContact OH-CA 3.31Å; Y163-H187 WeakPolarHBondContact OH-CA 3.43Å; Y163-H187 WeakPolarHBondContact OH-CB 3.17Å; Y163-H187 PolarHBondContact OH-ND1 3.33Å; Y163-H187 VanDerWaalsContact OH-ND1 3.14Å |
| 164 | Y | 85.4 | Confident | 77.3 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -55 | -32.9 | 168.9 | -179.6 | -94.9 | 0 | 0 | 0 | 112.8 | K102 V106 I161 P162 | K102-Y164 HydrophobicContact CB-CD2 3.64Å; K102-Y164 HydrophobicContact CB-CE2 3.44Å; K102-Y164 VanDerWaalsContact CB-CE2 3.44Å; K102-Y164 HydrophobicContact CB-CG 4.44Å; K102-Y164 HydrophobicContact CD-CE1 4.26Å; K102-Y164 HydrophobicContact CD-CE2 4.15Å; K102-Y164 HydrophobicContact CG-CE2 4.4Å; V106-Y164 HydrophobicContact CG2-CD2 4.27Å; V106-Y164 HydrophobicContact CG2-CG 4.47Å; I161-Y164 WeakPolarHBondContact O-CB 3.2Å; I161-Y164 PolarHBondContact O-N 3.03Å; P162-Y164 PolarHBondContact O-N 2.96Å |
| 165 | W | 80.4 | Confident | 75 | Confident | 144 Ų | 144 | 78.6 Ų | 78.6 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -91 | -3.6 | 178.2 | -65.1 | -86.4 | 0 | 0 | 0 | 113.2 | I161 P162 Y163 N168 | I161-W165 HydrophobicContact CG2-CZ3 4.18Å; P162-W165 PolarHBondContact O-N 2.84Å; Y163-W165 PolarHBondContact O-N 3.24Å; W165-N168 PolarHBondContact O-N 3.05Å; W165-N168 PolarHBondContact O-ND2 3.33Å |
| 166 | W | 75.2 | Confident | 73.1 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 9% | 0.087 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | -173.9 | -170.5 | -89.5 | 0 | 0 | 0 | 113.9 | Y163 N168 I169 W170 L183 I184 | Y163-W166 HydrophobicContact CD1-CD2 4.01Å; Y163-W166 AromaticContact CD1-CE3 3.45Å; Y163-W166 HydrophobicContact CD1-CE3 3.45Å; Y163-W166 VanDerWaalsContact CD1-CE3 3.45Å; Y163-W166 HydrophobicContact CD1-CG 4.47Å; Y163-W166 AromaticContact CD1-CZ3 3.76Å; Y163-W166 HydrophobicContact CD1-CZ3 3.76Å; Y163-W166 AromaticContact CE1-CE3 3.77Å; Y163-W166 HydrophobicContact CE1-CE3 3.77Å; Y163-W166 HydrophobicContact CE1-CH2 4.28Å; Y163-W166 AromaticContact CE1-CZ3 3.54Å; Y163-W166 HydrophobicContact CE1-CZ3 3.54Å; Y163-W166 HydrophobicContact CG-CE3 4.47Å; Y163-W166 WeakPolarHBondContact O-CB 3.25Å; Y163-W166 PolarHBondContact O-N 2.84Å; W166-N168 VanDerWaalsContact C-N 3.28Å; W166-N168 PolarHBondContact O-N 2.95Å; W166-I169 VanDerWaalsContact O-CB 3.29Å; W166-I169 WeakPolarHBondContact O-CB 3.3Å; W166-I169 PolarHBondContact O-N 3.34Å; W166-W170 AromaticContact CD1-CD1 3.88Å; W166-W170 AromaticContact CD1-NE1 3.37Å; W166-W170 AromaticContact CE2-NE1 3.81Å; W166-W170 AromaticContact NE1-CD1 3.94Å; W166-W170 AromaticContact NE1-CE2 3.9Å; W166-W170 AromaticContact NE1-NE1 2.98Å; W166-W170 VanDerWaalsContact O-CD1 3.26Å; W166-L183 HydrophobicContact CE3-CB 3.92Å; W166-L183 HydrophobicContact CE3-CD1 4.21Å; W166-L183 HydrophobicContact CH2-CB 4.32Å; W166-L183 HydrophobicContact CZ3-CB 3.39Å; W166-I184 HydrophobicContact CH2-CB 4.07Å; W166-I184 HydrophobicContact CH2-CD1 4.36Å; W166-I184 HydrophobicContact CH2-CG1 3.21Å; W166-I184 HydrophobicContact CZ2-CD1 4.3Å; W166-I184 HydrophobicContact CZ2-CG1 3.55Å; W166-I184 HydrophobicContact CZ3-CG1 4.28Å |
| 167 | P | 66.4 | Low | 71.8 | Confident | 34 Ų | 34 | 81 Ų | 81 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -34.5 | -179.7 | -25.4 | 37.8 | 0 | 0 | 0 | 112.7 | E105 I169 W170 T171 | E105-P167 WeakPolarHBondContact OE2-CD 3.33Å; E105-P167 WeakPolarHBondContact OE2-CG 3.19Å; P167-I169 PolarHBondContact O-N 3.35Å; P167-W170 PolarHBondContact O-N 2.96Å; P167-T171 PolarHBondContact O-OG1 3.05Å |
| 168 | N | 64 | Low | 70.7 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.1 | -19.3 | 179.6 | -46.1 | -54.7 | 0 | 0 | 0 | 111.6 | K102 W165 W166 W170 | K102-N168 WeakPolarHBondContact CE-OD1 3.28Å; K102-N168 PolarHBondContact NZ-OD1 3.35Å; W165-N168 PolarHBondContact O-N 3.05Å; W165-N168 PolarHBondContact O-ND2 3.33Å; W166-N168 VanDerWaalsContact C-N 3.28Å; W166-N168 PolarHBondContact O-N 2.95Å; N168-W170 VanDerWaalsContact C-N 3.29Å |
| 169 | I | 56.9 | Low | 69.8 | Low | 27 Ų | 27 | 79 Ų | 79 | 14% | 0.138 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -73.2 | -25.3 | 176.1 | -52.5 | 171.7 | 0 | 0 | 0 | 110.9 | W166 P167 H180 L183 | W166-I169 VanDerWaalsContact O-CB 3.29Å; W166-I169 WeakPolarHBondContact O-CB 3.3Å; W166-I169 PolarHBondContact O-N 3.34Å; P167-I169 PolarHBondContact O-N 3.35Å; I169-H180 HydrophobicContact CG2-CB 3.58Å; I169-H180 WeakPolarHBondContact CG2-ND1 3.46Å; I169-L183 HydrophobicContact CD1-CD1 3.58Å |
| 170 | W | 55.1 | Low | 68.9 | Low | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.333 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -90.1 | -11.1 | -179.6 | -63.2 | 95.9 | 0 | 0 | 0 | 114 | E2 W166 P167 N168 E172 H180 H251 | E2-W170 WeakPolarHBondContact OE1-CZ3 3.41Å; W166-W170 AromaticContact CD1-CD1 3.88Å; W166-W170 AromaticContact CD1-NE1 3.37Å; W166-W170 AromaticContact CE2-NE1 3.81Å; W166-W170 AromaticContact NE1-CD1 3.94Å; W166-W170 AromaticContact NE1-CE2 3.9Å; W166-W170 AromaticContact NE1-NE1 2.98Å; W166-W170 VanDerWaalsContact O-CD1 3.26Å; P167-W170 PolarHBondContact O-N 2.96Å; N168-W170 VanDerWaalsContact C-N 3.29Å; W170-E172 PolarHBondContact O-N 3.13Å; W170-H180 AromaticContact CE2-CE1 3.56Å; W170-H180 AromaticContact CH2-CE1 3.73Å; W170-H180 AromaticContact CH2-NE2 3.77Å; W170-H180 AromaticContact CZ2-CE1 3.36Å; W170-H180 WeakPolarHBondContact CZ2-CE1 3.38Å; W170-H180 AromaticContact CZ2-NE2 3.84Å; W170-H180 AromaticContact NE1-CE1 4Å; W170-H251 AromaticContact CH2-NE2 3.53Å; W170-H251 AromaticContact CZ3-NE2 3.6Å |
| 171 | T | 56.3 | Low | 68.2 | Low | 96 Ų | 96 | 80.5 Ų | 80.5 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -78.8 | 124.3 | 174.6 | -34.5 | 0 | 0 | 0 | 0 | 108 | P167 D173 Y174 | P167-T171 PolarHBondContact O-OG1 3.05Å; T171-D173 PolarHBondContact O-N 3Å; T171-Y174 PolarHBondContact O-N 3.33Å |
| 172 | E | 52.9 | Low | 67.8 | Low | 191 Ų | 191 | 81.2 Ų | 81.2 | 89% | 0.893 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.4 | -19.1 | -166.5 | -71.1 | -104.2 | 155.5 | 0 | 0 | 118.7 | W170 | W170-E172 PolarHBondContact O-N 3.13Š|
| 173 | D | 51.2 | Low | 67.5 | Low | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3.7 | -173.1 | -76.5 | -32.1 | 0 | 0 | 0 | 116 | T171 I175 | T171-D173 PolarHBondContact O-N 3Å; D173-I175 PolarHBondContact O-N 2.9Å |
| 174 | Y | 47.2 | Very low | 67.3 | Low | 158 Ų | 158 | 80.2 Ų | 80.2 | 62% | 0.62 | 41% | 0.406 | S | S | * | . | trans | -96 | 80.4 | -179.3 | -124.2 | -96.5 | 0 | 0 | 0 | 113.2 | T171 S176 | T171-Y174 PolarHBondContact O-N 3.33Å; Y174-S176 PolarHBondContact O-N 3.3Å | ||
| 175 | I | 49.2 | Very low | 67.3 | Low | 152 Ų | 152 | 81 Ų | 81 | 78% | 0.779 | 41% | 0.409 | S | S | * | . | trans | -69.6 | 58.1 | 167.3 | -51.8 | 163.9 | 0 | 0 | 0 | 110.3 | D173 | D173-I175 PolarHBondContact O-N 2.9Š| ||
| 176 | S | 56.9 | Low | 67.5 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | trans | -116.7 | 65.7 | 160 | -98.7 | 0 | 0 | 0 | 0 | 108.3 | Y174 S178 V179 H180 | Y174-S176 PolarHBondContact O-N 3.3Å; S176-S178 PolarHBondContact O-N 2.94Å; S176-V179 PolarHBondContact O-N 3.36Å; S176-V179 VanDerWaalsContact O-N 3.16Å; S176-H180 PolarHBondContact O-N 3.16Å; S176-H180 VanDerWaalsContact O-N 3.17Å | ||
| 177 | T | 70.2 | Confident | 68 | Low | 95 Ų | 95 | 77.4 Ų | 77.4 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -49.8 | -40.4 | 172.9 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | H180 H181 | T177-H180 PolarHBondContact O-N 2.9Å; T177-H181 PolarHBondContact O-N 3.36Å; T177-H181 PolarHBondContact O-ND1 2.96Å |
| 178 | S | 74.9 | Confident | 68.9 | Low | 78 Ų | 78 | 76.2 Ų | 76.2 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 178.4 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | S176 H180 H181 V182 | S176-S178 PolarHBondContact O-N 2.94Å; S178-H180 VanDerWaalsContact C-N 3.35Å; S178-H180 PolarHBondContact O-N 3.39Å; S178-H181 PolarHBondContact O-N 2.96Å; S178-V182 WeakPolarHBondContact O-CB 3.17Å; S178-V182 WeakPolarHBondContact O-CG2 3.47Å; S178-V182 PolarHBondContact O-N 3.42Å |
| 179 | V | 74.8 | Confident | 70.1 | Confident | 71 Ų | 71 | 77.9 Ų | 77.9 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | S176 V182 L183 | S176-V179 PolarHBondContact O-N 3.36Å; S176-V179 VanDerWaalsContact O-N 3.16Å; V179-V182 PolarHBondContact O-N 3.06Å; V179-L183 HydrophobicContact CG1-CD1 4.02Å; V179-L183 HydrophobicContact CG1-CG 4.34Å; V179-L183 WeakPolarHBondContact O-CG 3.37Å; V179-L183 PolarHBondContact O-N 3.41Å |
| 180 | H | 73.2 | Confident | 71.5 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 11% | 0.111 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.8 | -52 | 176.9 | -174.4 | 69.5 | 0 | 0 | 0 | 112 | I169 W170 S176 T177 S178 V182 L183 I184 | I169-H180 HydrophobicContact CG2-CB 3.58Å; I169-H180 WeakPolarHBondContact CG2-ND1 3.46Å; W170-H180 AromaticContact CE2-CE1 3.56Å; W170-H180 AromaticContact CH2-CE1 3.73Å; W170-H180 AromaticContact CH2-NE2 3.77Å; W170-H180 AromaticContact CZ2-CE1 3.36Å; W170-H180 WeakPolarHBondContact CZ2-CE1 3.38Å; W170-H180 AromaticContact CZ2-NE2 3.84Å; W170-H180 AromaticContact NE1-CE1 4Å; S176-H180 PolarHBondContact O-N 3.16Å; S176-H180 VanDerWaalsContact O-N 3.17Å; T177-H180 PolarHBondContact O-N 2.9Å; S178-H180 VanDerWaalsContact C-N 3.35Å; S178-H180 PolarHBondContact O-N 3.39Å; H180-V182 VanDerWaalsContact C-N 3.31Å; H180-V182 PolarHBondContact O-N 2.96Å; H180-L183 PolarHBondContact O-N 3.05Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.25Å; H180-I184 WeakPolarHBondContact O-CG1 3.4Å; H180-I184 PolarHBondContact O-N 3.19Å |
| 181 | H | 79 | Confident | 72.8 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 178.3 | -73.2 | 74.1 | 0 | 0 | 0 | 110.8 | T177 S178 I184 W185 | T177-H181 PolarHBondContact O-N 3.36Å; T177-H181 PolarHBondContact O-ND1 2.96Å; S178-H181 PolarHBondContact O-N 2.96Å; H181-I184 PolarHBondContact O-N 3.38Å; H181-W185 WeakPolarHBondContact O-CB 3.41Å; H181-W185 PolarHBondContact O-N 2.85Å |
| 182 | V | 83.1 | Confident | 74.2 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 178.2 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | S178 V179 H180 W185 I186 | S178-V182 WeakPolarHBondContact O-CB 3.17Å; S178-V182 WeakPolarHBondContact O-CG2 3.47Å; S178-V182 PolarHBondContact O-N 3.42Å; V179-V182 PolarHBondContact O-N 3.06Å; H180-V182 VanDerWaalsContact C-N 3.31Å; H180-V182 PolarHBondContact O-N 2.96Å; V182-W185 PolarHBondContact O-N 3.01Å; V182-I186 HydrophobicContact CG1-CD1 3.74Å; V182-I186 HydrophobicContact CG1-CG1 4.4Å; V182-I186 WeakPolarHBondContact O-CB 3.28Å; V182-I186 VanDerWaalsContact O-CG1 3.27Å; V182-I186 WeakPolarHBondContact O-CG1 3.17Å; V182-I186 PolarHBondContact O-N 3.32Å |
| 183 | L | 80.5 | Confident | 75.9 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | -180 | -68.3 | 172.8 | 0 | 0 | 0 | 112 | P162 W166 I169 V179 H180 I186 H187 | P162-L183 HydrophobicContact CB-CD2 4.22Å; W166-L183 HydrophobicContact CE3-CB 3.92Å; W166-L183 HydrophobicContact CE3-CD1 4.21Å; W166-L183 HydrophobicContact CH2-CB 4.32Å; W166-L183 HydrophobicContact CZ3-CB 3.39Å; I169-L183 HydrophobicContact CD1-CD1 3.58Å; V179-L183 HydrophobicContact CG1-CD1 4.02Å; V179-L183 HydrophobicContact CG1-CG 4.34Å; V179-L183 WeakPolarHBondContact O-CG 3.37Å; V179-L183 PolarHBondContact O-N 3.41Å; H180-L183 PolarHBondContact O-N 3.05Å; L183-I186 PolarHBondContact O-N 2.68Å; L183-H187 WeakPolarHBondContact O-CB 3.13Å; L183-H187 PolarHBondContact O-N 2.69Å |
| 184 | I | 80.9 | Confident | 77.8 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173 | -64.1 | 168 | 0 | 0 | 0 | 111.2 | W166 H180 H181 H187 C188 I248 L252 | W166-I184 HydrophobicContact CH2-CB 4.07Å; W166-I184 HydrophobicContact CH2-CD1 4.36Å; W166-I184 HydrophobicContact CH2-CG1 3.21Å; W166-I184 HydrophobicContact CZ2-CD1 4.3Å; W166-I184 HydrophobicContact CZ2-CG1 3.55Å; W166-I184 HydrophobicContact CZ3-CG1 4.28Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.25Å; H180-I184 WeakPolarHBondContact O-CG1 3.4Å; H180-I184 PolarHBondContact O-N 3.19Å; H181-I184 PolarHBondContact O-N 3.38Å; I184-H187 WeakPolarHBondContact O-CB 3.5Å; I184-H187 PolarHBondContact O-N 3.44Å; I184-C188 WeakPolarHBondContact O-CB 3.46Å; I184-C188 PolarHBondContact O-N 3.46Å; I184-C188 PolarHBondContact O-SG 2.76Å; I184-I248 HydrophobicContact CG2-CG2 3.53Å; I184-L252 HydrophobicContact CB-CD1 4.06Å; I184-L252 HydrophobicContact CD1-CD1 4.4Å; I184-L252 HydrophobicContact CD1-CD2 3.52Å; I184-L252 HydrophobicContact CD1-CG 4.14Å; I184-L252 HydrophobicContact CG2-CD1 3.4Å; I184-L252 HydrophobicContact CG2-CG 4.14Å |
| 185 | W | 84.8 | Confident | 79.9 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 175.5 | -85.9 | 112.5 | 0 | 0 | 0 | 111 | H181 V182 H187 C188 F189 L249 Y253 | H181-W185 WeakPolarHBondContact O-CB 3.41Å; H181-W185 PolarHBondContact O-N 2.85Å; V182-W185 PolarHBondContact O-N 3.01Å; W185-H187 PolarHBondContact O-N 2.81Å; W185-C188 PolarHBondContact O-N 3.04Å; W185-C188 VanDerWaalsContact O-N 3.07Å; W185-F189 HydrophobicContact CB-CD2 4.2Å; W185-F189 HydrophobicContact CB-CE2 4.27Å; W185-F189 HydrophobicContact CD2-CE2 4.01Å; W185-F189 AromaticContact CE3-CD2 3.76Å; W185-F189 HydrophobicContact CE3-CD2 3.76Å; W185-F189 AromaticContact CE3-CE2 3.23Å; W185-F189 HydrophobicContact CE3-CE2 3.23Å; W185-F189 HydrophobicContact CE3-CZ 4.03Å; W185-F189 HydrophobicContact CG-CE2 4.47Å; W185-F189 AromaticContact CZ3-CE2 3.82Å; W185-F189 HydrophobicContact CZ3-CE2 3.82Å; W185-F189 HydrophobicContact CZ3-CZ 4.16Å; W185-F189 WeakPolarHBondContact O-CB 3.5Å; W185-F189 WeakPolarHBondContact O-CD2 3.27Å; W185-F189 PolarHBondContact O-N 2.9Å; W185-L249 HydrophobicContact CH2-CD2 4.35Å; W185-Y253 VanDerWaalsContact CE2-OH 3.24Å; W185-Y253 HydrophobicContact CH2-CE2 4.39Å; W185-Y253 AromaticContact CZ2-CE2 3.52Å; W185-Y253 HydrophobicContact CZ2-CE2 3.52Å; W185-Y253 AromaticContact CZ2-CZ 3.68Å; W185-Y253 WeakPolarHBondContact CZ2-OH 3.43Å; W185-Y253 AromaticContact NE1-CZ 3.87Å; W185-Y253 PolarHBondContact NE1-OH 3.37Å |
| 186 | I | 85.7 | Confident | 81.9 | Confident | 85 Ų | 85 | 48.9 Ų | 48.9 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.1 | -43.7 | 175.8 | -71.1 | 168.4 | 0 | 0 | 0 | 110.4 | V182 L183 T190 | V182-I186 HydrophobicContact CG1-CD1 3.74Å; V182-I186 HydrophobicContact CG1-CG1 4.4Å; V182-I186 WeakPolarHBondContact O-CB 3.28Å; V182-I186 VanDerWaalsContact O-CG1 3.27Å; V182-I186 WeakPolarHBondContact O-CG1 3.17Å; V182-I186 PolarHBondContact O-N 3.32Å; L183-I186 PolarHBondContact O-N 2.68Å; I186-T190 WeakPolarHBondContact O-CB 3.47Å; I186-T190 PolarHBondContact O-N 3.14Å; I186-T190 PolarHBondContact O-OG1 2.98Å |
| 187 | H | 84 | Confident | 83.6 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -54.5 | 174.2 | -171.6 | 78 | 0 | 0 | 0 | 111.4 | F109 H113 Y163 L183 I184 W185 F189 T190 V191 R244 | F109-H187 AromaticContact CD1-CE1 3.55Å; F109-H187 AromaticContact CD1-ND1 3.76Å; F109-H187 AromaticContact CE1-CE1 3.36Å; F109-H187 WeakPolarHBondContact CE1-CE1 3.23Å; F109-H187 AromaticContact CE1-ND1 3.58Å; H113-H187 AromaticContact NE2-CE1 3.74Å; H113-H187 AromaticContact NE2-ND1 3.59Å; Y163-H187 HydrophobicContact CE1-CB 4.14Å; Y163-H187 AromaticContact CE1-ND1 3.73Å; Y163-H187 AromaticContact CZ-ND1 3.65Å; Y163-H187 VanDerWaalsContact OH-CA 3.31Å; Y163-H187 WeakPolarHBondContact OH-CA 3.43Å; Y163-H187 WeakPolarHBondContact OH-CB 3.17Å; Y163-H187 PolarHBondContact OH-ND1 3.33Å; Y163-H187 VanDerWaalsContact OH-ND1 3.14Å; L183-H187 WeakPolarHBondContact O-CB 3.13Å; L183-H187 PolarHBondContact O-N 2.69Å; I184-H187 WeakPolarHBondContact O-CB 3.5Å; I184-H187 PolarHBondContact O-N 3.44Å; W185-H187 PolarHBondContact O-N 2.81Å; H187-F189 VanDerWaalsContact C-N 3.35Å; H187-F189 PolarHBondContact O-N 3.25Å; H187-T190 PolarHBondContact O-N 3.45Å; H187-V191 VanDerWaalsContact O-CB 3.23Å; H187-V191 WeakPolarHBondContact O-CB 2.95Å; H187-V191 PolarHBondContact O-N 2.89Å; H187-R244 PolarHBondContact NE2-NH1 3.09Å |
| 188 | C | 86.1 | Confident | 84.7 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.054 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | -178.1 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | I184 W185 Y192 L193 | I184-C188 WeakPolarHBondContact O-CB 3.46Å; I184-C188 PolarHBondContact O-N 3.46Å; I184-C188 PolarHBondContact O-SG 2.76Å; W185-C188 PolarHBondContact O-N 3.04Å; W185-C188 VanDerWaalsContact O-N 3.07Å; C188-Y192 WeakPolarHBondContact O-CA 2.95Å; C188-Y192 WeakPolarHBondContact O-CB 3.02Å; C188-Y192 PolarHBondContact O-N 3.26Å; C188-L193 PolarHBondContact O-N 2.61Å; C188-L193 VanDerWaalsContact O-N 3.08Å |
| 189 | F | 88.3 | Confident | 85.5 | Confident | 90 Ų | 90 | 43.7 Ų | 43.7 | 40% | 0.395 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -64.7 | -49.7 | 175.9 | -83.2 | -78.5 | 0 | 0 | 0 | 111 | W185 H187 L193 V194 | W185-F189 HydrophobicContact CB-CD2 4.2Å; W185-F189 HydrophobicContact CB-CE2 4.27Å; W185-F189 HydrophobicContact CD2-CE2 4.01Å; W185-F189 AromaticContact CE3-CD2 3.76Å; W185-F189 HydrophobicContact CE3-CD2 3.76Å; W185-F189 AromaticContact CE3-CE2 3.23Å; W185-F189 HydrophobicContact CE3-CE2 3.23Å; W185-F189 HydrophobicContact CE3-CZ 4.03Å; W185-F189 HydrophobicContact CG-CE2 4.47Å; W185-F189 AromaticContact CZ3-CE2 3.82Å; W185-F189 HydrophobicContact CZ3-CE2 3.82Å; W185-F189 HydrophobicContact CZ3-CZ 4.16Å; W185-F189 WeakPolarHBondContact O-CB 3.5Å; W185-F189 WeakPolarHBondContact O-CD2 3.27Å; W185-F189 PolarHBondContact O-N 2.9Å; H187-F189 VanDerWaalsContact C-N 3.35Å; H187-F189 PolarHBondContact O-N 3.25Å; F189-L193 HydrophobicContact CD1-CB 4.06Å; F189-L193 HydrophobicContact CD1-CD2 3.37Å; F189-L193 HydrophobicContact CD1-CG 4.3Å; F189-L193 HydrophobicContact CE1-CD2 3.17Å; F189-L193 HydrophobicContact CE1-CG 4.47Å; F189-L193 HydrophobicContact CZ-CD2 4.24Å; F189-L193 PolarHBondContact O-N 2.98Å; F189-V194 VanDerWaalsContact O-CB 3.32Å; F189-V194 WeakPolarHBondContact O-CB 3.28Å; F189-V194 WeakPolarHBondContact O-CG2 3.49Å; F189-V194 PolarHBondContact O-N 2.67Å |
| 190 | T | 86.3 | Confident | 86.2 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -69 | -38.7 | -174.9 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | W117 I186 H187 P195 | W117-T190 HydrophobicContact CZ2-CG2 4.06Å; W117-T190 WeakPolarHBondContact CZ2-O 3.14Å; W117-T190 VanDerWaalsContact NE1-CG2 3.35Å; W117-T190 PolarHBondContact NE1-O 2.79Å; I186-T190 WeakPolarHBondContact O-CB 3.47Å; I186-T190 PolarHBondContact O-N 3.14Å; I186-T190 PolarHBondContact O-OG1 2.98Å; H187-T190 PolarHBondContact O-N 3.45Å; T190-P195 VanDerWaalsContact O-CD 3.25Å; T190-P195 WeakPolarHBondContact O-CD 3.3Å; T190-P195 WeakPolarHBondContact O-CG 3.46Å |
| 191 | V | 84.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -90.1 | -30.1 | -174 | 165.1 | 0 | 0 | 0 | 0 | 112.1 | H113 I116 H187 W241 | H113-V191 VanDerWaalsContact CD2-CG2 3.48Å; H113-V191 WeakPolarHBondContact CD2-CG2 3.29Å; H113-V191 WeakPolarHBondContact NE2-CG2 3.41Å; I116-V191 HydrophobicContact CD1-CB 4.34Å; I116-V191 HydrophobicContact CD1-CG1 3.56Å; I116-V191 HydrophobicContact CD1-CG2 4.47Å; H187-V191 VanDerWaalsContact O-CB 3.23Å; H187-V191 WeakPolarHBondContact O-CB 2.95Å; H187-V191 PolarHBondContact O-N 2.89Å; V191-W241 HydrophobicContact CG1-CE3 3.71Å; V191-W241 HydrophobicContact CG1-CH2 4.4Å; V191-W241 HydrophobicContact CG1-CZ3 3.49Å; V191-W241 VanDerWaalsContact CG1-CZ3 3.49Å |
| 192 | Y | 84.9 | Confident | 87.8 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -124.6 | -64.4 | -173.6 | -170 | -105.6 | 0 | 0 | 0 | 114.2 | C188 V194 P195 C196 W241 A242 I245 | C188-Y192 WeakPolarHBondContact O-CA 2.95Å; C188-Y192 WeakPolarHBondContact O-CB 3.02Å; C188-Y192 PolarHBondContact O-N 3.26Å; Y192-V194 PolarHBondContact O-N 3.46Å; Y192-P195 WeakPolarHBondContact O-CD 3.23Å; Y192-C196 WeakPolarHBondContact CD2-SG 3.44Å; Y192-C196 WeakPolarHBondContact CE2-SG 3.46Å; Y192-C196 WeakPolarHBondContact O-CB 3.47Å; Y192-C196 PolarHBondContact O-N 3.26Å; Y192-C196 PolarHBondContact O-SG 3.47Å; Y192-W241 HydrophobicContact CD2-CB 4.37Å; Y192-W241 HydrophobicContact CE2-CB 4.48Å; Y192-A242 HydrophobicContact CE2-CB 4.38Å; Y192-I245 HydrophobicContact CD1-CB 4.37Å; Y192-I245 HydrophobicContact CD1-CG1 4.1Å; Y192-I245 HydrophobicContact CD1-CG2 3.91Å; Y192-I245 HydrophobicContact CD2-CD1 4.49Å; Y192-I245 HydrophobicContact CD2-CG1 3.63Å; Y192-I245 HydrophobicContact CE1-CG2 4.27Å; Y192-I245 HydrophobicContact CE2-CG1 4.18Å; Y192-I245 HydrophobicContact CG-CB 4.33Å; Y192-I245 HydrophobicContact CG-CD1 4.21Å; Y192-I245 HydrophobicContact CG-CG1 3.57Å; Y192-I245 HydrophobicContact CG-CG2 4.23Å |
| 193 | L | 88.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 45.4 Ų | 45.4 | 45% | 0.45 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -60.2 | -47.4 | -168.5 | -170.7 | 71.6 | 0 | 0 | 0 | 111.6 | C188 F189 S197 | C188-L193 PolarHBondContact O-N 2.61Å; C188-L193 VanDerWaalsContact O-N 3.08Å; F189-L193 HydrophobicContact CD1-CB 4.06Å; F189-L193 HydrophobicContact CD1-CD2 3.37Å; F189-L193 HydrophobicContact CD1-CG 4.3Å; F189-L193 HydrophobicContact CE1-CD2 3.17Å; F189-L193 HydrophobicContact CE1-CG 4.47Å; F189-L193 HydrophobicContact CZ-CD2 4.24Å; F189-L193 PolarHBondContact O-N 2.98Å; L193-S197 WeakPolarHBondContact O-CB 3.4Å; L193-S197 PolarHBondContact O-N 3.34Å; L193-S197 PolarHBondContact O-OG 3.34Å |
| 194 | V | 92 | Very high | 88.6 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 35% | 0.345 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.2 | -54 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | W117 F189 Y192 C196 S197 I198 | W117-V194 HydrophobicContact CH2-CG1 3.65Å; W117-V194 HydrophobicContact CZ2-CG1 4.2Å; F189-V194 VanDerWaalsContact O-CB 3.32Å; F189-V194 WeakPolarHBondContact O-CB 3.28Å; F189-V194 WeakPolarHBondContact O-CG2 3.49Å; F189-V194 PolarHBondContact O-N 2.67Å; Y192-V194 PolarHBondContact O-N 3.46Å; V194-C196 PolarHBondContact O-N 3.44Å; V194-S197 PolarHBondContact O-N 2.93Å; V194-I198 HydrophobicContact CG1-CD1 3.71Å; V194-I198 HydrophobicContact CG1-CG1 4.49Å; V194-I198 VanDerWaalsContact O-CG1 3.25Å; V194-I198 WeakPolarHBondContact O-CG1 3.48Å; V194-I198 PolarHBondContact O-N 3.48Å |
| 195 | P | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 177.2 | -26.9 | 36.5 | 0 | 0 | 0 | 113.5 | I116 W117 T190 Y192 S197 I198 F199 F237 | I116-P195 HydrophobicContact CG2-CB 3.87Å; I116-P195 HydrophobicContact CG2-CG 3.74Å; W117-P195 HydrophobicContact CZ2-CG 4.38Å; T190-P195 VanDerWaalsContact O-CD 3.25Å; T190-P195 WeakPolarHBondContact O-CD 3.3Å; T190-P195 WeakPolarHBondContact O-CG 3.46Å; Y192-P195 WeakPolarHBondContact O-CD 3.23Å; P195-S197 PolarHBondContact O-N 3.2Å; P195-I198 PolarHBondContact O-N 2.96Å; P195-F199 HydrophobicContact CB-CD2 4.46Å; P195-F199 HydrophobicContact CB-CE2 3.76Å; P195-F199 HydrophobicContact CB-CZ 4.01Å; P195-F199 WeakPolarHBondContact O-CB 3.48Å; P195-F199 WeakPolarHBondContact O-CD2 3.33Å; P195-F199 WeakPolarHBondContact O-CG 3.5Å; P195-F199 PolarHBondContact O-N 3.39Å; P195-F237 HydrophobicContact CB-CE1 4.21Å |
| 196 | C | 90.6 | Very high | 89.4 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 14% | 0.142 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | -178.9 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | Y192 V194 F199 F200 | Y192-C196 WeakPolarHBondContact CD2-SG 3.44Å; Y192-C196 WeakPolarHBondContact CE2-SG 3.46Å; Y192-C196 WeakPolarHBondContact O-CB 3.47Å; Y192-C196 PolarHBondContact O-N 3.26Å; Y192-C196 PolarHBondContact O-SG 3.47Å; V194-C196 PolarHBondContact O-N 3.44Å; C196-F199 PolarHBondContact O-N 3.39Å; C196-F200 VanDerWaalsContact O-CB 3.28Å; C196-F200 WeakPolarHBondContact O-CB 3.41Å; C196-F200 PolarHBondContact O-N 3.43Å |
| 197 | S | 92 | Very high | 89.4 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -45 | 174.7 | -61.2 | 0 | 0 | 0 | 0 | 111 | L193 V194 P195 F199 F200 I201 | L193-S197 WeakPolarHBondContact O-CB 3.4Å; L193-S197 PolarHBondContact O-N 3.34Å; L193-S197 PolarHBondContact O-OG 3.34Å; V194-S197 PolarHBondContact O-N 2.93Å; P195-S197 PolarHBondContact O-N 3.2Å; S197-F199 PolarHBondContact O-N 2.97Å; S197-F200 PolarHBondContact O-N 2.88Å; S197-I201 WeakPolarHBondContact O-CB 3.36Å; S197-I201 WeakPolarHBondContact O-CD1 3.44Å; S197-I201 WeakPolarHBondContact O-CG1 3.48Å; S197-I201 PolarHBondContact O-N 2.87Å |
| 198 | I | 93.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 175.9 | -67.9 | 167.5 | 0 | 0 | 0 | 110.5 | V120 V194 P195 I201 L202 | V120-I198 HydrophobicContact CG1-CD1 4.17Å; V120-I198 HydrophobicContact CG1-CG2 4.17Å; V194-I198 HydrophobicContact CG1-CD1 3.71Å; V194-I198 HydrophobicContact CG1-CG1 4.49Å; V194-I198 VanDerWaalsContact O-CG1 3.25Å; V194-I198 WeakPolarHBondContact O-CG1 3.48Å; V194-I198 PolarHBondContact O-N 3.48Å; P195-I198 PolarHBondContact O-N 2.96Å; I198-I201 PolarHBondContact O-N 3.07Å; I198-L202 HydrophobicContact CG2-CD1 3.52Å; I198-L202 HydrophobicContact CG2-CG 4.06Å; I198-L202 VanDerWaalsContact O-CB 3.28Å; I198-L202 WeakPolarHBondContact O-CB 3.44Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.43Å; I198-L202 PolarHBondContact O-N 3.5Å |
| 199 | F | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 179.3 | -62.3 | -27.3 | 0 | 0 | 0 | 112.2 | T119 V120 T123 P195 C196 S197 N203 T234 F237 | T119-F199 WeakPolarHBondContact OG1-CZ 3.36Å; V120-F199 HydrophobicContact CB-CE1 4.47Å; V120-F199 HydrophobicContact CG2-CE1 3.79Å; V120-F199 HydrophobicContact CG2-CZ 3.82Å; T123-F199 HydrophobicContact CG2-CD1 3.68Å; T123-F199 HydrophobicContact CG2-CE1 3.83Å; P195-F199 HydrophobicContact CB-CD2 4.46Å; P195-F199 HydrophobicContact CB-CE2 3.76Å; P195-F199 HydrophobicContact CB-CZ 4.01Å; P195-F199 WeakPolarHBondContact O-CB 3.48Å; P195-F199 WeakPolarHBondContact O-CD2 3.33Å; P195-F199 WeakPolarHBondContact O-CG 3.5Å; P195-F199 PolarHBondContact O-N 3.39Å; C196-F199 PolarHBondContact O-N 3.39Å; S197-F199 PolarHBondContact O-N 2.97Å; F199-N203 WeakPolarHBondContact O-CB 3.45Å; F199-N203 PolarHBondContact O-N 3.3Å; F199-N203 PolarHBondContact O-ND2 3.11Å; F199-T234 HydrophobicContact CB-CG2 4.39Å; F199-T234 HydrophobicContact CD1-CG2 3.78Å; F199-T234 HydrophobicContact CD2-CG2 4.38Å; F199-T234 HydrophobicContact CE1-CG2 4.17Å; F199-T234 HydrophobicContact CG-CG2 3.91Å; F199-F237 AromaticContact CD2-CD1 3.81Å; F199-F237 HydrophobicContact CD2-CD1 3.81Å; F199-F237 HydrophobicContact CD2-CE1 4.25Å; F199-F237 AromaticContact CE2-CD1 3.4Å; F199-F237 HydrophobicContact CE2-CD1 3.4Å; F199-F237 AromaticContact CE2-CE1 3.66Å; F199-F237 HydrophobicContact CE2-CE1 3.66Å; F199-F237 HydrophobicContact CE2-CG 4.29Å |
| 200 | F | 90.4 | Very high | 89.4 | Confident | 151 Ų | 151 | 51.2 Ų | 51.2 | 66% | 0.662 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.2 | -50.3 | 178.3 | -179.4 | -102.6 | 0 | 0 | 0 | 110.7 | C196 S197 S204 | C196-F200 VanDerWaalsContact O-CB 3.28Å; C196-F200 WeakPolarHBondContact O-CB 3.41Å; C196-F200 PolarHBondContact O-N 3.43Å; S197-F200 PolarHBondContact O-N 2.88Å; F200-S204 WeakPolarHBondContact O-CB 3.28Å; F200-S204 PolarHBondContact O-N 3.3Å; F200-S204 PolarHBondContact O-OG 3.04Å |
| 201 | I | 93.2 | Very high | 89.3 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 48% | 0.482 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -53.8 | -179.4 | -66.3 | 166.5 | 0 | 0 | 0 | 110.8 | S197 I198 S204 I205 | S197-I201 WeakPolarHBondContact O-CB 3.36Å; S197-I201 WeakPolarHBondContact O-CD1 3.44Å; S197-I201 WeakPolarHBondContact O-CG1 3.48Å; S197-I201 PolarHBondContact O-N 2.87Å; I198-I201 PolarHBondContact O-N 3.07Å; I201-S204 PolarHBondContact O-N 2.88Å; I201-I205 HydrophobicContact CG2-CD1 3.87Å; I201-I205 WeakPolarHBondContact O-CG1 3.3Å; I201-I205 PolarHBondContact O-N 3.19Å |
| 202 | L | 92.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | -175.1 | -67.3 | -177 | 0 | 0 | 0 | 112 | T123 I124 Y127 I198 S204 I205 I206 | T123-L202 WeakPolarHBondContact OG1-CD1 3.28Å; I124-L202 HydrophobicContact CG1-CD1 3.66Å; Y127-L202 HydrophobicContact CD2-CD2 4Å; Y127-L202 HydrophobicContact CG-CD2 4.11Å; I198-L202 HydrophobicContact CG2-CD1 3.52Å; I198-L202 HydrophobicContact CG2-CG 4.06Å; I198-L202 VanDerWaalsContact O-CB 3.28Å; I198-L202 WeakPolarHBondContact O-CB 3.44Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.43Å; I198-L202 PolarHBondContact O-N 3.5Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 2.91Å; L202-I205 PolarHBondContact O-N 3.3Å; L202-I206 WeakPolarHBondContact O-CB 3.39Å; L202-I206 WeakPolarHBondContact O-CD1 3.42Å; L202-I206 WeakPolarHBondContact O-CG1 3.48Å; L202-I206 PolarHBondContact O-N 3.47Å |
| 203 | N | 90.4 | Very high | 88.9 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -37.4 | 177 | -76.3 | -73.6 | 0 | 0 | 0 | 111.8 | F199 I205 I206 V207 F231 T234 | F199-N203 WeakPolarHBondContact O-CB 3.45Å; F199-N203 PolarHBondContact O-N 3.3Å; F199-N203 PolarHBondContact O-ND2 3.11Å; N203-I205 PolarHBondContact O-N 2.65Å; N203-I206 PolarHBondContact O-N 2.98Å; N203-V207 WeakPolarHBondContact O-CB 3.43Å; N203-V207 VanDerWaalsContact O-CG2 3.26Å; N203-V207 WeakPolarHBondContact O-CG2 3.35Å; N203-V207 PolarHBondContact O-N 3.45Å; N203-F231 HydrophobicContact CB-CD2 4.14Å; N203-T234 PolarHBondContact ND2-OG1 3.01Å |
| 204 | S | 90.7 | Very high | 88.1 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | F200 I201 L202 V207 Y208 | F200-S204 WeakPolarHBondContact O-CB 3.28Å; F200-S204 PolarHBondContact O-N 3.3Å; F200-S204 PolarHBondContact O-OG 3.04Å; I201-S204 PolarHBondContact O-N 2.88Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 2.91Å; S204-V207 PolarHBondContact O-N 3.13Å; S204-Y208 VanDerWaalsContact O-CB 3.31Å; S204-Y208 WeakPolarHBondContact O-CB 3.3Å; S204-Y208 PolarHBondContact O-N 2.94Å |
| 205 | I | 91.6 | Very high | 86.7 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.3 | -60.9 | 163.1 | 0 | 0 | 0 | 111 | Y127 I201 L202 N203 V207 Y208 K209 | Y127-I205 HydrophobicContact CD2-CG2 4.27Å; Y127-I205 HydrophobicContact CE2-CB 4.2Å; Y127-I205 HydrophobicContact CE2-CD1 4.24Å; Y127-I205 HydrophobicContact CE2-CG2 3.66Å; I201-I205 HydrophobicContact CG2-CD1 3.87Å; I201-I205 WeakPolarHBondContact O-CG1 3.3Å; I201-I205 PolarHBondContact O-N 3.19Å; L202-I205 PolarHBondContact O-N 3.3Å; N203-I205 PolarHBondContact O-N 2.65Å; I205-V207 PolarHBondContact O-N 3.15Å; I205-Y208 PolarHBondContact O-N 3Å; I205-K209 VanDerWaalsContact O-CB 3.32Å; I205-K209 WeakPolarHBondContact O-CB 3.26Å; I205-K209 PolarHBondContact O-N 2.82Å |
| 206 | I | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.8 | -49.2 | 177.3 | -75.3 | 168 | 0 | 0 | 0 | 110.6 | R126 Y127 V130 L202 N203 K209 L210 T227 L230 | R126-I206 HydrophobicContact CB-CD1 4.47Å; Y127-I206 HydrophobicContact CD2-CG1 4.34Å; V130-I206 HydrophobicContact CG2-CG2 4.42Å; L202-I206 WeakPolarHBondContact O-CB 3.39Å; L202-I206 WeakPolarHBondContact O-CD1 3.42Å; L202-I206 WeakPolarHBondContact O-CG1 3.48Å; L202-I206 PolarHBondContact O-N 3.47Å; N203-I206 PolarHBondContact O-N 2.98Å; I206-K209 PolarHBondContact O-N 3.22Å; I206-L210 HydrophobicContact CG2-CD1 4.07Å; I206-L210 WeakPolarHBondContact O-CB 3.43Å; I206-L210 VanDerWaalsContact O-CG 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.28Å; I206-L210 PolarHBondContact O-N 3.47Å; I206-T227 HydrophobicContact CG2-CG2 3.2Å; I206-L230 HydrophobicContact CD1-CD2 4.38Å |
| 207 | V | 86.4 | Confident | 83.5 | Confident | 45 Ų | 45 | 85.6 Ų | 85.6 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 179.4 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | N203 S204 I205 K209 L210 R211 F231 | N203-V207 WeakPolarHBondContact O-CB 3.43Å; N203-V207 VanDerWaalsContact O-CG2 3.26Å; N203-V207 WeakPolarHBondContact O-CG2 3.35Å; N203-V207 PolarHBondContact O-N 3.45Å; S204-V207 PolarHBondContact O-N 3.13Å; I205-V207 PolarHBondContact O-N 3.15Å; V207-K209 PolarHBondContact O-N 2.96Å; V207-L210 PolarHBondContact O-N 3.11Å; V207-R211 HydrophobicContact CG1-CG 4.41Å; V207-R211 WeakPolarHBondContact O-CB 3.48Å; V207-R211 WeakPolarHBondContact O-CG 3.26Å; V207-R211 PolarHBondContact O-N 3.08Å; V207-F231 HydrophobicContact CG2-CD2 4.46Å |
| 208 | Y | 88.3 | Confident | 81.7 | Confident | 147 Ų | 147 | 88.7 Ų | 88.7 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.7 | -48 | 176.8 | 172.7 | -107.1 | 0 | 0 | 0 | 111.7 | S204 I205 L210 R211 R212 | S204-Y208 VanDerWaalsContact O-CB 3.31Å; S204-Y208 WeakPolarHBondContact O-CB 3.3Å; S204-Y208 PolarHBondContact O-N 2.94Å; I205-Y208 PolarHBondContact O-N 3Å; Y208-L210 PolarHBondContact O-N 3.4Å; Y208-R211 PolarHBondContact O-N 2.92Å; Y208-R212 WeakPolarHBondContact O-CB 3.47Å; Y208-R212 PolarHBondContact O-N 2.56Å |
| 209 | K | 86.5 | Confident | 79.3 | Confident | 83 Ų | 83 | 98.5 Ų | 98.5 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | -179.7 | -166.5 | 70 | 172.8 | -169.1 | 0 | 112.1 | V130 I205 I206 V207 K213 | V130-K209 HydrophobicContact CG1-CB 4.1Å; V130-K209 HydrophobicContact CG1-CG 4.1Å; I205-K209 VanDerWaalsContact O-CB 3.32Å; I205-K209 WeakPolarHBondContact O-CB 3.26Å; I205-K209 PolarHBondContact O-N 2.82Å; I206-K209 PolarHBondContact O-N 3.22Å; V207-K209 PolarHBondContact O-N 2.96Å; K209-K213 WeakPolarHBondContact O-CB 3.34Å; K209-K213 PolarHBondContact O-N 3.12Å |
| 210 | L | 84.1 | Confident | 77.3 | Confident | 40 Ų | 40 | 101.6 Ų | 101.6 | 21% | 0.209 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.1 | -76.2 | 177 | 0 | 0 | 0 | 112 | V130 I206 V207 Y208 K213 S214 T227 | V130-L210 HydrophobicContact CG1-CD2 4.02Å; V130-L210 HydrophobicContact CG1-CG 4Å; V130-L210 HydrophobicContact CG2-CD2 4.41Å; I206-L210 HydrophobicContact CG2-CD1 4.07Å; I206-L210 WeakPolarHBondContact O-CB 3.43Å; I206-L210 VanDerWaalsContact O-CG 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.28Å; I206-L210 PolarHBondContact O-N 3.47Å; V207-L210 PolarHBondContact O-N 3.11Å; Y208-L210 PolarHBondContact O-N 3.4Å; L210-K213 PolarHBondContact O-N 3.08Å; L210-S214 WeakPolarHBondContact O-CB 3.49Å; L210-S214 PolarHBondContact O-N 3.2Å; L210-T227 HydrophobicContact CD1-CG2 3.54Å |
| 211 | R | 83.7 | Confident | 75.3 | Confident | 178 Ų | 178 | 101.1 Ų | 101.1 | 67% | 0.672 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 175.8 | -74 | -178.4 | -179.6 | -175.8 | 1.4 | 111.1 | V207 Y208 K213 S214 N215 | V207-R211 HydrophobicContact CG1-CG 4.41Å; V207-R211 WeakPolarHBondContact O-CB 3.48Å; V207-R211 WeakPolarHBondContact O-CG 3.26Å; V207-R211 PolarHBondContact O-N 3.08Å; Y208-R211 PolarHBondContact O-N 2.92Å; R211-K213 VanDerWaalsContact C-N 3.33Å; R211-K213 PolarHBondContact O-N 3.26Å; R211-S214 WeakPolarHBondContact O-CB 3.35Å; R211-S214 PolarHBondContact O-N 3.03Å; R211-N215 PolarHBondContact O-N 3.17Å |
| 212 | R | 84.3 | Confident | 73.4 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 175.3 | -175.4 | 174.8 | 163.9 | 173.5 | -1.7 | 111.7 | Y208 N215 F216 | Y208-R212 WeakPolarHBondContact O-CB 3.47Å; Y208-R212 PolarHBondContact O-N 2.56Å; R212-N215 WeakPolarHBondContact O-CB 3.26Å; R212-N215 PolarHBondContact O-N 2.91Å; R212-F216 HydrophobicContact CG-CE2 4.38Å; R212-F216 VanDerWaalsContact O-CD2 3.27Å; R212-F216 WeakPolarHBondContact O-CD2 3.34Å; R212-F216 PolarHBondContact O-N 3.42Å |
| 213 | K | 75.5 | Confident | 71.8 | Confident | 69 Ų | 69 | 100.1 Ų | 100.1 | 30% | 0.3 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.5 | -31.1 | 178 | -167.6 | 175.3 | -179 | 177.3 | 0 | 113.1 | K209 L210 R211 N215 F216 L218 | K209-K213 WeakPolarHBondContact O-CB 3.34Å; K209-K213 PolarHBondContact O-N 3.12Å; L210-K213 PolarHBondContact O-N 3.08Å; R211-K213 VanDerWaalsContact C-N 3.33Å; R211-K213 PolarHBondContact O-N 3.26Å; K213-N215 VanDerWaalsContact C-N 3.28Å; K213-N215 PolarHBondContact O-N 3.47Å; K213-F216 CarbonylContact O-C 3.52Å; K213-F216 WeakPolarHBondContact O-CA 3.39Å; K213-F216 PolarHBondContact O-N 3.35Å; K213-F216 VanDerWaalsContact O-N 3.12Å; K213-F216 VanDerWaalsContact O-O 3.11Å; K213-L218 HydrophobicContact CG-CB 4.18Å; K213-L218 HydrophobicContact CG-CD1 4.45Å |
| 214 | S | 71.6 | Confident | 70.6 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -38.5 | 173.5 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | L210 R211 F216 R217 | L210-S214 WeakPolarHBondContact O-CB 3.49Å; L210-S214 PolarHBondContact O-N 3.2Å; R211-S214 WeakPolarHBondContact O-CB 3.35Å; R211-S214 PolarHBondContact O-N 3.03Å; S214-F216 VanDerWaalsContact C-N 3.26Å; S214-F216 PolarHBondContact O-N 3.32Å; S214-R217 PolarHBondContact O-N 3.28Å |
| 215 | N | 63.9 | Low | 69.4 | Low | 135 Ų | 135 | 105.6 Ų | 105.6 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -35.5 | 173.8 | -65.7 | -5.7 | 0 | 0 | 0 | 111.3 | R211 R212 K213 R217 | R211-N215 PolarHBondContact O-N 3.17Å; R212-N215 WeakPolarHBondContact O-CB 3.26Å; R212-N215 PolarHBondContact O-N 2.91Å; K213-N215 VanDerWaalsContact C-N 3.28Å; K213-N215 PolarHBondContact O-N 3.47Å; N215-R217 VanDerWaalsContact C-N 3.35Å; N215-R217 PolarHBondContact O-N 3.45Å |
| 216 | F | 58.5 | Low | 68.2 | Low | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.614 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 58 | 172.3 | -69.9 | -79.5 | 0 | 0 | 0 | 112.2 | R212 K213 S214 L218 | R212-F216 HydrophobicContact CG-CE2 4.38Å; R212-F216 VanDerWaalsContact O-CD2 3.27Å; R212-F216 WeakPolarHBondContact O-CD2 3.34Å; R212-F216 PolarHBondContact O-N 3.42Å; K213-F216 CarbonylContact O-C 3.52Å; K213-F216 WeakPolarHBondContact O-CA 3.39Å; K213-F216 PolarHBondContact O-N 3.35Å; K213-F216 VanDerWaalsContact O-N 3.12Å; K213-F216 VanDerWaalsContact O-O 3.11Å; S214-F216 VanDerWaalsContact C-N 3.26Å; S214-F216 PolarHBondContact O-N 3.32Å; F216-L218 WeakPolarHBondContact O-CB 3.49Å; F216-L218 PolarHBondContact O-N 2.94Å |
| 217 | R | 56.7 | Low | 67.3 | Low | 239 Ų | 239 | 104.6 Ų | 104.6 | 90% | 0.902 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 17.5 | 32.6 | 166.9 | -75 | -171.8 | 172.1 | -177.5 | -0.7 | 120.3 | S214 N215 R219 | S214-R217 PolarHBondContact O-N 3.28Å; N215-R217 VanDerWaalsContact C-N 3.35Å; N215-R217 PolarHBondContact O-N 3.45Å; R217-R219 PolarHBondContact O-N 3.14Å |
| 218 | L | 53 | Low | 66.7 | Low | 116 Ų | 116 | 104.4 Ų | 104.4 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | trans | -88.4 | 67.3 | 179.6 | -95.1 | 138.1 | 0 | 0 | 0 | 108.2 | K213 F216 G220 | K213-L218 HydrophobicContact CG-CB 4.18Å; K213-L218 HydrophobicContact CG-CD1 4.45Å; F216-L218 WeakPolarHBondContact O-CB 3.49Å; F216-L218 PolarHBondContact O-N 2.94Å; L218-G220 PolarHBondContact O-N 2.85Å | ||
| 219 | R | 44.3 | Very low | 65.9 | Low | 252 Ų | 252 | 98.2 Ų | 98.2 | 95% | 0.951 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 0.8 | -179.3 | -173.6 | 172.1 | 167.7 | 173.1 | -3 | 114.3 | R217 | R217-R219 PolarHBondContact O-N 3.14Š|
| 220 | G | 47.9 | Very low | 65.3 | Low | 71 Ų | 71 | 94.4 Ų | 94.4 | 73% | 0.732 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -18.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | L218 | L218-G220 PolarHBondContact O-N 2.85Š|
| 221 | Y | 48.4 | Very low | 65.1 | Low | 141 Ų | 141 | 96.9 Ų | 96.9 | 55% | 0.553 | 48% | 0.475 | S | S | * | . | trans | -97.1 | 111.3 | -172 | -129.1 | -111.4 | 0 | 0 | 0 | 111.6 | T223 | Y221-T223 HydrophobicContact CD1-CG2 3.32Å; Y221-T223 HydrophobicContact CE1-CG2 3.71Å; Y221-T223 HydrophobicContact CG-CG2 4.5Å; Y221-T223 PolarHBondContact O-N 3.31Å; Y221-T223 PolarHBondContact O-OG1 3.42Å | ||
| 222 | S | 53.4 | Low | 65 | Low | 75 Ų | 75 | 90.3 Ų | 90.3 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 26.2 | 173.4 | -172.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 223 | T | 60 | Low | 64.9 | Low | 23 Ų | 23 | 84.3 Ų | 84.3 | 14% | 0.141 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.8 | -36.4 | 177.7 | 33.8 | 0 | 0 | 0 | 0 | 112.5 | Y221 K225 T226 T227 | Y221-T223 HydrophobicContact CD1-CG2 3.32Å; Y221-T223 HydrophobicContact CE1-CG2 3.71Å; Y221-T223 HydrophobicContact CG-CG2 4.5Å; Y221-T223 PolarHBondContact O-N 3.31Å; Y221-T223 PolarHBondContact O-OG1 3.42Å; T223-K225 VanDerWaalsContact C-N 3.28Å; T223-K225 PolarHBondContact O-N 2.85Å; T223-K225 VanDerWaalsContact O-N 3.13Å; T223-T226 PolarHBondContact O-N 3.41Å; T223-T227 WeakPolarHBondContact O-CB 3.08Å; T223-T227 PolarHBondContact O-N 3.05Å; T223-T227 PolarHBondContact O-OG1 3.15Å |
| 224 | G | 64.3 | Low | 65.2 | Low | 42 Ų | 42 | 81.2 Ų | 81.2 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -51.8 | -43.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A228 | G224-A228 WeakPolarHBondContact O-CB 3.28Å; G224-A228 PolarHBondContact O-N 3.01Å |
| 225 | K | 66.5 | Low | 65.8 | Low | 138 Ų | 138 | 78.9 Ų | 78.9 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.4 | -41 | 179.4 | -63.4 | -172.8 | -179.6 | -174.7 | 0 | 113.4 | T223 T227 A228 I229 | T223-K225 VanDerWaalsContact C-N 3.28Å; T223-K225 PolarHBondContact O-N 2.85Å; T223-K225 VanDerWaalsContact O-N 3.13Å; K225-T227 VanDerWaalsContact C-N 3.29Å; K225-A228 PolarHBondContact O-N 2.71Å; K225-I229 WeakPolarHBondContact O-CG1 3.24Å; K225-I229 PolarHBondContact O-N 3.33Å; K225-I229 VanDerWaalsContact O-N 3.11Å |
| 226 | T | 65.9 | Low | 66.8 | Low | 37 Ų | 37 | 73.9 Ų | 73.9 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 179.4 | -49.5 | 0 | 0 | 0 | 0 | 110.8 | T223 I229 L230 | T223-T226 PolarHBondContact O-N 3.41Å; T226-I229 WeakPolarHBondContact O-CB 3.36Å; T226-L230 PolarHBondContact O-N 3.44Å |
| 227 | T | 70.7 | Confident | 68.1 | Low | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 172.7 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | I206 L210 T223 K225 I229 L230 F231 | I206-T227 HydrophobicContact CG2-CG2 3.2Å; L210-T227 HydrophobicContact CD1-CG2 3.54Å; T223-T227 WeakPolarHBondContact O-CB 3.08Å; T223-T227 PolarHBondContact O-N 3.05Å; T223-T227 PolarHBondContact O-OG1 3.15Å; K225-T227 VanDerWaalsContact C-N 3.29Å; T227-I229 VanDerWaalsContact C-N 3.32Å; T227-I229 PolarHBondContact O-N 3.01Å; T227-L230 PolarHBondContact O-N 3.12Å; T227-F231 WeakPolarHBondContact O-CB 3.45Å; T227-F231 PolarHBondContact O-N 3.48Å |
| 228 | A | 73.3 | Confident | 69.3 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G224 K225 L230 F231 T232 I288 | G224-A228 WeakPolarHBondContact O-CB 3.28Å; G224-A228 PolarHBondContact O-N 3.01Å; K225-A228 PolarHBondContact O-N 2.71Å; A228-L230 VanDerWaalsContact C-N 3.33Å; A228-L230 PolarHBondContact O-N 3.04Å; A228-F231 PolarHBondContact O-N 2.87Å; A228-T232 WeakPolarHBondContact O-CB 3.4Å; A228-T232 PolarHBondContact O-N 3.06Å; A228-T232 PolarHBondContact O-OG1 2.91Å; A228-I288 HydrophobicContact CB-CG2 4.37Å |
| 229 | I | 71.1 | Confident | 70.9 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.5 | -53 | 171.9 | -64.6 | 168.6 | 0 | 0 | 0 | 110 | K225 T226 T227 T232 I233 Y285 I288 | K225-I229 WeakPolarHBondContact O-CG1 3.24Å; K225-I229 PolarHBondContact O-N 3.33Å; K225-I229 VanDerWaalsContact O-N 3.11Å; T226-I229 WeakPolarHBondContact O-CB 3.36Å; T227-I229 VanDerWaalsContact C-N 3.32Å; T227-I229 PolarHBondContact O-N 3.01Å; I229-T232 PolarHBondContact O-N 2.88Å; I229-I233 HydrophobicContact CG2-CD1 3.6Å; I229-I233 HydrophobicContact CG2-CG1 4.43Å; I229-I233 VanDerWaalsContact O-CG1 3.3Å; I229-I233 WeakPolarHBondContact O-CG1 3.4Å; I229-I233 PolarHBondContact O-N 3.02Å; I229-Y285 HydrophobicContact CG2-CD1 4.12Å; I229-Y285 HydrophobicContact CG2-CE1 4.2Å; I229-I288 HydrophobicContact CB-CG2 4.32Å; I229-I288 HydrophobicContact CD1-CG2 4.2Å; I229-I288 HydrophobicContact CG1-CB 3.65Å; I229-I288 HydrophobicContact CG1-CD1 4.29Å; I229-I288 HydrophobicContact CG1-CG2 3.25Å |
| 230 | L | 75.3 | Confident | 73.1 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -49.6 | -177.3 | -178.5 | 66.8 | 0 | 0 | 0 | 112.1 | L122 T123 R126 I206 T226 T227 A228 T232 I233 T234 | L122-L230 HydrophobicContact CD2-CD1 3.89Å; L122-L230 HydrophobicContact CG-CD1 3.77Å; T123-L230 HydrophobicContact CG2-CD1 3.57Å; T123-L230 HydrophobicContact CG2-CD2 3.79Å; T123-L230 HydrophobicContact CG2-CG 3.89Å; R126-L230 HydrophobicContact CB-CD2 3.38Å; R126-L230 HydrophobicContact CG-CB 4.32Å; R126-L230 HydrophobicContact CG-CD2 3.39Å; R126-L230 HydrophobicContact CG-CG 4.32Å; I206-L230 HydrophobicContact CD1-CD2 4.38Å; T226-L230 PolarHBondContact O-N 3.44Å; T227-L230 PolarHBondContact O-N 3.12Å; A228-L230 VanDerWaalsContact C-N 3.33Å; A228-L230 PolarHBondContact O-N 3.04Å; L230-T232 PolarHBondContact O-N 2.94Å; L230-I233 PolarHBondContact O-N 3.28Å; L230-I233 VanDerWaalsContact O-N 3.13Å; L230-T234 HydrophobicContact CD1-CG2 4.09Å; L230-T234 HydrophobicContact CG-CG2 4.29Å; L230-T234 WeakPolarHBondContact O-CG2 3.48Å; L230-T234 PolarHBondContact O-N 3.36Å; L230-T234 PolarHBondContact O-OG1 2.87Å; L230-T234 VanDerWaalsContact O-OG1 3.09Å |
| 231 | F | 80.1 | Confident | 75 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55 | -41.7 | 178.5 | 176.1 | -98.4 | 0 | 0 | 0 | 111 | N203 V207 T227 A228 T234 S235 | N203-F231 HydrophobicContact CB-CD2 4.14Å; V207-F231 HydrophobicContact CG2-CD2 4.46Å; T227-F231 WeakPolarHBondContact O-CB 3.45Å; T227-F231 PolarHBondContact O-N 3.48Å; A228-F231 PolarHBondContact O-N 2.87Å; F231-T234 PolarHBondContact O-OG1 3.48Å; F231-T234 VanDerWaalsContact O-OG1 3.13Å; F231-S235 WeakPolarHBondContact O-CB 3.24Å; F231-S235 PolarHBondContact O-N 3.41Å; F231-S235 PolarHBondContact O-OG 2.98Å |
| 232 | T | 79.7 | Confident | 76.9 | Confident | 39 Ų | 39 | 36.5 Ų | 36.5 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -48.7 | 178 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | A228 I229 L230 T234 S235 I236 L284 I288 | A228-T232 WeakPolarHBondContact O-CB 3.4Å; A228-T232 PolarHBondContact O-N 3.06Å; A228-T232 PolarHBondContact O-OG1 2.91Å; I229-T232 PolarHBondContact O-N 2.88Å; L230-T232 PolarHBondContact O-N 2.94Å; T232-T234 PolarHBondContact O-N 3.32Å; T232-S235 PolarHBondContact O-N 2.73Å; T232-I236 HydrophobicContact CG2-CD1 3.58Å; T232-I236 HydrophobicContact CG2-CG1 4.35Å; T232-I236 VanDerWaalsContact O-CB 3.3Å; T232-I236 WeakPolarHBondContact O-CB 3.33Å; T232-I236 VanDerWaalsContact O-CG1 3.23Å; T232-I236 WeakPolarHBondContact O-CG1 3.35Å; T232-I236 PolarHBondContact O-N 3.3Å; T232-L284 HydrophobicContact CG2-CD1 4.41Å; T232-L284 HydrophobicContact CG2-CD2 3.8Å; T232-I288 HydrophobicContact CG2-CD1 4.07Å |
| 233 | I | 82 | Confident | 78.7 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 178.4 | -66.2 | 162.3 | 0 | 0 | 0 | 111.2 | L66 T119 I229 L230 S235 I236 F237 L284 Y285 | L66-I233 HydrophobicContact CD2-CD1 4.18Å; T119-I233 HydrophobicContact CG2-CG2 4.36Å; I229-I233 HydrophobicContact CG2-CD1 3.6Å; I229-I233 HydrophobicContact CG2-CG1 4.43Å; I229-I233 VanDerWaalsContact O-CG1 3.3Å; I229-I233 WeakPolarHBondContact O-CG1 3.4Å; I229-I233 PolarHBondContact O-N 3.02Å; L230-I233 PolarHBondContact O-N 3.28Å; L230-I233 VanDerWaalsContact O-N 3.13Å; I233-S235 PolarHBondContact O-N 3.49Å; I233-I236 PolarHBondContact O-N 2.89Å; I233-F237 WeakPolarHBondContact O-CB 3.37Å; I233-F237 PolarHBondContact O-N 3.32Å; I233-L284 HydrophobicContact CG1-CD1 4.36Å; I233-Y285 HydrophobicContact CD1-CE1 3.63Å; I233-Y285 HydrophobicContact CG1-CE1 4.47Å |
| 234 | T | 82.9 | Confident | 80.1 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.7 | -33.9 | -178.2 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | T123 F199 N203 L230 F231 T232 A238 | T123-T234 HydrophobicContact CG2-CG2 3.34Å; F199-T234 HydrophobicContact CB-CG2 4.39Å; F199-T234 HydrophobicContact CD1-CG2 3.78Å; F199-T234 HydrophobicContact CD2-CG2 4.38Å; F199-T234 HydrophobicContact CE1-CG2 4.17Å; F199-T234 HydrophobicContact CG-CG2 3.91Å; N203-T234 PolarHBondContact ND2-OG1 3.01Å; L230-T234 HydrophobicContact CD1-CG2 4.09Å; L230-T234 HydrophobicContact CG-CG2 4.29Å; L230-T234 WeakPolarHBondContact O-CG2 3.48Å; L230-T234 PolarHBondContact O-N 3.36Å; L230-T234 PolarHBondContact O-OG1 2.87Å; L230-T234 VanDerWaalsContact O-OG1 3.09Å; F231-T234 PolarHBondContact O-OG1 3.48Å; F231-T234 VanDerWaalsContact O-OG1 3.13Å; T232-T234 PolarHBondContact O-N 3.32Å; T234-A238 WeakPolarHBondContact O-CB 3.36Å; T234-A238 PolarHBondContact O-N 3.4Å; T234-A238 VanDerWaalsContact O-N 3.07Å |
| 235 | S | 84.1 | Confident | 81.1 | Confident | 41 Ų | 41 | 33 Ų | 33 | 29% | 0.287 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -73 | -39.6 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | F231 T232 I233 A238 T239 | F231-S235 WeakPolarHBondContact O-CB 3.24Å; F231-S235 PolarHBondContact O-N 3.41Å; F231-S235 PolarHBondContact O-OG 2.98Å; T232-S235 PolarHBondContact O-N 2.73Å; I233-S235 PolarHBondContact O-N 3.49Å; S235-A238 PolarHBondContact O-N 2.77Å; S235-T239 WeakPolarHBondContact O-CB 3.32Å; S235-T239 WeakPolarHBondContact O-CG2 3.4Å; S235-T239 PolarHBondContact O-N 3.4Å; S235-T239 PolarHBondContact O-OG1 2.93Å |
| 236 | I | 85.8 | Confident | 82.1 | Confident | 30 Ų | 30 | 31.9 Ų | 31.9 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 174.6 | -73.5 | 172.8 | 0 | 0 | 0 | 110.1 | T232 I233 A238 T239 L240 I280 L284 | T232-I236 HydrophobicContact CG2-CD1 3.58Å; T232-I236 HydrophobicContact CG2-CG1 4.35Å; T232-I236 VanDerWaalsContact O-CB 3.3Å; T232-I236 WeakPolarHBondContact O-CB 3.33Å; T232-I236 VanDerWaalsContact O-CG1 3.23Å; T232-I236 WeakPolarHBondContact O-CG1 3.35Å; T232-I236 PolarHBondContact O-N 3.3Å; I233-I236 PolarHBondContact O-N 2.89Å; I236-A238 PolarHBondContact O-N 3.01Å; I236-T239 WeakPolarHBondContact CA-OG1 3.39Å; I236-T239 PolarHBondContact O-N 3.35Å; I236-T239 PolarHBondContact O-OG1 3.37Å; I236-T239 VanDerWaalsContact O-OG1 3.09Å; I236-L240 HydrophobicContact CG2-CD1 3.43Å; I236-L240 VanDerWaalsContact CG2-CD1 3.43Å; I236-L240 HydrophobicContact CG2-CG 3.93Å; I236-L240 VanDerWaalsContact O-CB 3.24Å; I236-L240 WeakPolarHBondContact O-CB 3.3Å; I236-L240 WeakPolarHBondContact O-CG 2.84Å; I236-L240 PolarHBondContact O-N 3.47Å; I236-I280 HydrophobicContact CG2-CG2 4.07Å; I236-L284 HydrophobicContact CD1-CD1 3.48Å; I236-L284 VanDerWaalsContact CD1-CD1 3.48Å; I236-L284 HydrophobicContact CD1-CD2 3.61Å; I236-L284 HydrophobicContact CD1-CG 4.15Å |
| 237 | F | 83.9 | Confident | 83 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.9 | -53.3 | 173.1 | 172 | -97 | 0 | 0 | 0 | 111.6 | I116 P195 F199 I233 T239 W241 | I116-F237 HydrophobicContact CB-CE2 4.17Å; I116-F237 HydrophobicContact CB-CZ 4.22Å; I116-F237 HydrophobicContact CD1-CE2 3.58Å; I116-F237 HydrophobicContact CD1-CZ 3.71Å; I116-F237 HydrophobicContact CG1-CD2 4.32Å; I116-F237 HydrophobicContact CG1-CE2 3.38Å; I116-F237 HydrophobicContact CG1-CZ 3.78Å; I116-F237 HydrophobicContact CG2-CE1 4.12Å; I116-F237 HydrophobicContact CG2-CE2 3.93Å; I116-F237 HydrophobicContact CG2-CZ 3.49Å; I116-F237 VanDerWaalsContact CG2-CZ 3.49Å; P195-F237 HydrophobicContact CB-CE1 4.21Å; F199-F237 AromaticContact CD2-CD1 3.81Å; F199-F237 HydrophobicContact CD2-CD1 3.81Å; F199-F237 HydrophobicContact CD2-CE1 4.25Å; F199-F237 AromaticContact CE2-CD1 3.4Å; F199-F237 HydrophobicContact CE2-CD1 3.4Å; F199-F237 AromaticContact CE2-CE1 3.66Å; F199-F237 HydrophobicContact CE2-CE1 3.66Å; F199-F237 HydrophobicContact CE2-CG 4.29Å; I233-F237 WeakPolarHBondContact O-CB 3.37Å; I233-F237 PolarHBondContact O-N 3.32Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 PolarHBondContact O-N 3.42Å; F237-W241 AromaticContact CD2-CD1 3.44Å; F237-W241 VanDerWaalsContact CD2-CD1 3.44Å; F237-W241 HydrophobicContact CD2-CG 4.07Å; F237-W241 AromaticContact CD2-NE1 3.61Å; F237-W241 HydrophobicContact CE2-CB 4.43Å; F237-W241 AromaticContact CE2-CD1 3.37Å; F237-W241 AromaticContact CE2-CD2 3.77Å; F237-W241 HydrophobicContact CE2-CD2 3.77Å; F237-W241 AromaticContact CE2-CE2 3.71Å; F237-W241 AromaticContact CE2-CG 3.58Å; F237-W241 HydrophobicContact CE2-CG 3.58Å; F237-W241 AromaticContact CE2-NE1 3.44Å; F237-W241 HydrophobicContact CZ-CD2 4.29Å; F237-W241 HydrophobicContact CZ-CG 4.07Å; F237-W241 WeakPolarHBondContact O-CB 3.33Å; F237-W241 VanDerWaalsContact O-CD1 3.25Å; F237-W241 PolarHBondContact O-N 3.45Å; F237-W241 VanDerWaalsContact O-N 3.09Å |
| 238 | A | 82.7 | Confident | 83.6 | Confident | 28 Ų | 28 | 33 Ų | 33 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T234 S235 I236 A242 | T234-A238 WeakPolarHBondContact O-CB 3.36Å; T234-A238 PolarHBondContact O-N 3.4Å; T234-A238 VanDerWaalsContact O-N 3.07Å; S235-A238 PolarHBondContact O-N 2.77Å; I236-A238 PolarHBondContact O-N 3.01Å; A238-A242 WeakPolarHBondContact O-CB 3.42Å; A238-A242 PolarHBondContact O-N 2.99Å |
| 239 | T | 87.5 | Confident | 84.1 | Confident | 90 Ų | 90 | 34 Ų | 34 | 55% | 0.552 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -77 | -42.5 | -177.8 | 49.3 | 0 | 0 | 0 | 0 | 113 | S235 I236 F237 P243 | S235-T239 WeakPolarHBondContact O-CB 3.32Å; S235-T239 WeakPolarHBondContact O-CG2 3.4Å; S235-T239 PolarHBondContact O-N 3.4Å; S235-T239 PolarHBondContact O-OG1 2.93Å; I236-T239 WeakPolarHBondContact CA-OG1 3.39Å; I236-T239 PolarHBondContact O-N 3.35Å; I236-T239 PolarHBondContact O-OG1 3.37Å; I236-T239 VanDerWaalsContact O-OG1 3.09Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 PolarHBondContact O-N 3.42Å; T239-P243 WeakPolarHBondContact O-CD 3.45Å |
| 240 | L | 89.2 | Confident | 84.6 | Confident | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.1 | -29.4 | -179 | -71.4 | -173.2 | 0 | 0 | 0 | 112.9 | I236 L273 A274 L276 N277 | I236-L240 HydrophobicContact CG2-CD1 3.43Å; I236-L240 VanDerWaalsContact CG2-CD1 3.43Å; I236-L240 HydrophobicContact CG2-CG 3.93Å; I236-L240 VanDerWaalsContact O-CB 3.24Å; I236-L240 WeakPolarHBondContact O-CB 3.3Å; I236-L240 WeakPolarHBondContact O-CG 2.84Å; I236-L240 PolarHBondContact O-N 3.47Å; L240-L273 WeakPolarHBondContact CB-O 3.29Å; L240-L273 HydrophobicContact CD2-CD2 4.1Å; L240-L273 CarbonylContact O-C 3.59Å; L240-A274 WeakPolarHBondContact O-CA 3.34Å; L240-A274 PolarHBondContact O-N 2.96Å; L240-L276 HydrophobicContact CD1-CB 4.21Å; L240-L276 HydrophobicContact CD1-CG 4.4Å; L240-L276 HydrophobicContact CD2-CD2 4.46Å; L240-N277 HydrophobicContact CB-CB 4.46Å; L240-N277 HydrophobicContact CD1-CB 3.91Å |
| 241 | W | 87.8 | Confident | 84.7 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -84.2 | -22.2 | 176.9 | -79.2 | 69.5 | 0 | 0 | 0 | 113.9 | I112 I116 V191 Y192 F237 R244 I245 A274 | I112-W241 HydrophobicContact CB-CH2 4.35Å; I112-W241 HydrophobicContact CD1-CH2 4.14Å; I112-W241 HydrophobicContact CG1-CH2 4.12Å; I112-W241 HydrophobicContact CG2-CH2 3.31Å; I112-W241 HydrophobicContact CG2-CZ2 4.04Å; I112-W241 HydrophobicContact CG2-CZ3 4.03Å; I116-W241 HydrophobicContact CD1-CD2 4.38Å; I116-W241 HydrophobicContact CD1-CE3 4.29Å; I116-W241 HydrophobicContact CD1-CH2 3.93Å; I116-W241 HydrophobicContact CD1-CZ2 3.95Å; I116-W241 HydrophobicContact CD1-CZ3 4.08Å; V191-W241 HydrophobicContact CG1-CE3 3.71Å; V191-W241 HydrophobicContact CG1-CH2 4.4Å; V191-W241 HydrophobicContact CG1-CZ3 3.49Å; V191-W241 VanDerWaalsContact CG1-CZ3 3.49Å; Y192-W241 HydrophobicContact CD2-CB 4.37Å; Y192-W241 HydrophobicContact CE2-CB 4.48Å; F237-W241 AromaticContact CD2-CD1 3.44Å; F237-W241 VanDerWaalsContact CD2-CD1 3.44Å; F237-W241 HydrophobicContact CD2-CG 4.07Å; F237-W241 AromaticContact CD2-NE1 3.61Å; F237-W241 HydrophobicContact CE2-CB 4.43Å; F237-W241 AromaticContact CE2-CD1 3.37Å; F237-W241 AromaticContact CE2-CD2 3.77Å; F237-W241 HydrophobicContact CE2-CD2 3.77Å; F237-W241 AromaticContact CE2-CE2 3.71Å; F237-W241 AromaticContact CE2-CG 3.58Å; F237-W241 HydrophobicContact CE2-CG 3.58Å; F237-W241 AromaticContact CE2-NE1 3.44Å; F237-W241 HydrophobicContact CZ-CD2 4.29Å; F237-W241 HydrophobicContact CZ-CG 4.07Å; F237-W241 WeakPolarHBondContact O-CB 3.33Å; F237-W241 VanDerWaalsContact O-CD1 3.25Å; F237-W241 PolarHBondContact O-N 3.45Å; F237-W241 VanDerWaalsContact O-N 3.09Å; W241-R244 PolarHBondContact O-N 3.12Å; W241-I245 PolarHBondContact O-N 3.21Å; W241-A274 HydrophobicContact CD2-CB 4.15Å; W241-A274 HydrophobicContact CE3-CB 4.49Å; W241-A274 HydrophobicContact CG-CB 4.4Å; W241-A274 HydrophobicContact CZ2-CB 4.47Å; W241-A274 PolarHBondContact NE1-O 2.73Å |
| 242 | A | 88.8 | Confident | 84.4 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y192 A238 R244 I245 I246 | Y192-A242 HydrophobicContact CE2-CB 4.38Å; A238-A242 WeakPolarHBondContact O-CB 3.42Å; A238-A242 PolarHBondContact O-N 2.99Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.17Å; A242-I245 PolarHBondContact O-N 3.45Å; A242-I246 WeakPolarHBondContact O-CG1 3.18Å; A242-I246 PolarHBondContact O-N 3.13Å |
| 243 | P | 91.8 | Very high | 84.4 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -40.5 | 178.2 | -26.9 | 36.5 | 0 | 0 | 0 | 112.9 | T239 I245 I246 M247 A270 L273 | T239-P243 WeakPolarHBondContact O-CD 3.45Å; P243-I245 VanDerWaalsContact C-N 3.31Å; P243-I245 PolarHBondContact O-N 2.97Å; P243-I246 PolarHBondContact O-N 3.43Å; P243-M247 WeakPolarHBondContact O-CG 3.39Å; P243-M247 PolarHBondContact O-N 3.26Å; P243-A270 HydrophobicContact CB-CB 3.74Å; P243-L273 HydrophobicContact CB-CD1 4.35Å; P243-L273 HydrophobicContact CG-CD1 3.85Å |
| 244 | R | 88.5 | Confident | 84 | Confident | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | -179.3 | -175.1 | 176.8 | 179.8 | -89.8 | 3.6 | 111.5 | H187 W241 A242 M247 I248 A270 N271 A274 | H187-R244 PolarHBondContact NE2-NH1 3.09Å; W241-R244 PolarHBondContact O-N 3.12Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.17Å; R244-M247 PolarHBondContact O-N 2.84Å; R244-I248 HydrophobicContact CG-CD1 4.35Å; R244-I248 WeakPolarHBondContact O-CG1 3.46Å; R244-I248 PolarHBondContact O-N 3.12Å; R244-A270 HydrophobicContact CB-CB 4.33Å; R244-N271 WeakPolarHBondContact CD-OD1 3.38Å; R244-N271 PolarHBondContact NE-OD1 3.33Å; R244-A274 HydrophobicContact CB-CB 4.26Å |
| 245 | I | 85 | Confident | 83.6 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 178.2 | -59 | -57.8 | 0 | 0 | 0 | 111.5 | Y192 W241 A242 P243 M247 I248 L249 | Y192-I245 HydrophobicContact CD1-CB 4.37Å; Y192-I245 HydrophobicContact CD1-CG1 4.1Å; Y192-I245 HydrophobicContact CD1-CG2 3.91Å; Y192-I245 HydrophobicContact CD2-CD1 4.49Å; Y192-I245 HydrophobicContact CD2-CG1 3.63Å; Y192-I245 HydrophobicContact CE1-CG2 4.27Å; Y192-I245 HydrophobicContact CE2-CG1 4.18Å; Y192-I245 HydrophobicContact CG-CB 4.33Å; Y192-I245 HydrophobicContact CG-CD1 4.21Å; Y192-I245 HydrophobicContact CG-CG1 3.57Å; Y192-I245 HydrophobicContact CG-CG2 4.23Å; W241-I245 PolarHBondContact O-N 3.21Å; A242-I245 PolarHBondContact O-N 3.45Å; P243-I245 VanDerWaalsContact C-N 3.31Å; P243-I245 PolarHBondContact O-N 2.97Å; I245-M247 PolarHBondContact O-N 3Å; I245-I248 HydrophobicContact CD1-CD1 4.26Å; I245-I248 PolarHBondContact O-N 3.5Å; I245-L249 HydrophobicContact CG2-CD1 4.09Å; I245-L249 HydrophobicContact CG2-CG 4.36Å; I245-L249 WeakPolarHBondContact O-CG 3.48Å; I245-L249 PolarHBondContact O-N 3.16Å |
| 246 | I | 88.1 | Confident | 82.9 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 59% | 0.585 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.8 | -42.5 | 174.2 | -67.1 | 166.3 | 0 | 0 | 0 | 110 | A242 P243 L249 Y250 | A242-I246 WeakPolarHBondContact O-CG1 3.18Å; A242-I246 PolarHBondContact O-N 3.13Å; P243-I246 PolarHBondContact O-N 3.43Å; I246-L249 PolarHBondContact O-N 3.44Å; I246-Y250 WeakPolarHBondContact O-CB 3.49Å; I246-Y250 PolarHBondContact O-N 3.35Å |
| 247 | M | 85.6 | Confident | 82 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.9 | -69.8 | -55.7 | -60.2 | 0 | 0 | 113 | P243 R244 I245 L249 Y250 H251 V263 M266 A270 | P243-M247 WeakPolarHBondContact O-CG 3.39Å; P243-M247 PolarHBondContact O-N 3.26Å; R244-M247 PolarHBondContact O-N 2.84Å; I245-M247 PolarHBondContact O-N 3Å; M247-L249 PolarHBondContact O-N 3.37Å; M247-Y250 PolarHBondContact O-N 2.88Å; M247-H251 WeakPolarHBondContact O-CB 3.3Å; M247-H251 PolarHBondContact O-N 3.07Å; M247-V263 HydrophobicContact CE-CG1 3.84Å; M247-V263 WeakPolarHBondContact CE-O 3.27Å; M247-M266 HydrophobicContact CE-CB 3.88Å; M247-M266 HydrophobicContact SD-CB 3.6Å; M247-M266 VanDerWaalsContact SD-CB 3.6Å; M247-A270 HydrophobicContact CG-CB 3.89Å |
| 248 | I | 82.1 | Confident | 81.2 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.185 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.2 | -68.2 | 166.9 | 0 | 0 | 0 | 111 | I184 R244 I245 H251 L252 | I184-I248 HydrophobicContact CG2-CG2 3.53Å; R244-I248 HydrophobicContact CG-CD1 4.35Å; R244-I248 WeakPolarHBondContact O-CG1 3.46Å; R244-I248 PolarHBondContact O-N 3.12Å; I245-I248 HydrophobicContact CD1-CD1 4.26Å; I245-I248 PolarHBondContact O-N 3.5Å; I248-H251 PolarHBondContact O-N 2.77Å; I248-L252 PolarHBondContact O-N 2.8Å; I248-L252 VanDerWaalsContact O-N 3.08Å |
| 249 | L | 83.2 | Confident | 81 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.335 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 177.8 | -68.9 | 174.6 | 0 | 0 | 0 | 112.1 | W185 I245 I246 M247 L252 Y253 | W185-L249 HydrophobicContact CH2-CD2 4.35Å; I245-L249 HydrophobicContact CG2-CD1 4.09Å; I245-L249 HydrophobicContact CG2-CG 4.36Å; I245-L249 WeakPolarHBondContact O-CG 3.48Å; I245-L249 PolarHBondContact O-N 3.16Å; I246-L249 PolarHBondContact O-N 3.44Å; M247-L249 PolarHBondContact O-N 3.37Å; L249-L252 PolarHBondContact O-N 3.29Å; L249-Y253 PolarHBondContact O-N 3.04Å |
| 250 | Y | 83.2 | Confident | 80.7 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 174.7 | -180 | -96.8 | 0 | 0 | 0 | 111.9 | I246 M247 L252 G254 I257 V263 | I246-Y250 WeakPolarHBondContact O-CB 3.49Å; I246-Y250 PolarHBondContact O-N 3.35Å; M247-Y250 PolarHBondContact O-N 2.88Å; Y250-L252 VanDerWaalsContact C-N 3.31Å; Y250-L252 PolarHBondContact O-N 3.15Å; Y250-G254 WeakPolarHBondContact O-CA 3.3Å; Y250-G254 PolarHBondContact O-N 3.21Å; Y250-I257 HydrophobicContact CE1-CG1 4.34Å; Y250-V263 HydrophobicContact CE1-CG1 4.41Å; Y250-V263 HydrophobicContact CE1-CG2 3.75Å |
| 251 | H | 76.6 | Confident | 80.3 | Confident | 93 Ų | 93 | 76.5 Ų | 76.5 | 43% | 0.431 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 175.8 | -173.3 | 87.8 | 0 | 0 | 0 | 112.1 | W170 M247 I248 | W170-H251 AromaticContact CH2-NE2 3.53Å; W170-H251 AromaticContact CZ3-NE2 3.6Å; M247-H251 WeakPolarHBondContact O-CB 3.3Å; M247-H251 PolarHBondContact O-N 3.07Å; I248-H251 PolarHBondContact O-N 2.77Å |
| 252 | L | 74.6 | Confident | 80.1 | Confident | 25 Ų | 25 | 79.9 Ų | 79.9 | 13% | 0.131 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -75 | -39.6 | 179.2 | -82 | -178.6 | 0 | 0 | 0 | 114.8 | I184 I248 L249 Y250 | I184-L252 HydrophobicContact CB-CD1 4.06Å; I184-L252 HydrophobicContact CD1-CD1 4.4Å; I184-L252 HydrophobicContact CD1-CD2 3.52Å; I184-L252 HydrophobicContact CD1-CG 4.14Å; I184-L252 HydrophobicContact CG2-CD1 3.4Å; I184-L252 HydrophobicContact CG2-CG 4.14Å; I248-L252 PolarHBondContact O-N 2.8Å; I248-L252 VanDerWaalsContact O-N 3.08Å; L249-L252 PolarHBondContact O-N 3.29Å; Y250-L252 VanDerWaalsContact C-N 3.31Å; Y250-L252 PolarHBondContact O-N 3.15Å |
| 253 | Y | 79.2 | Confident | 79.9 | Confident | 135 Ų | 135 | 80 Ų | 80 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -122.8 | -7.1 | -167.5 | -67.1 | -70.9 | 0 | 0 | 0 | 114.3 | W185 L249 | W185-Y253 VanDerWaalsContact CE2-OH 3.24Å; W185-Y253 HydrophobicContact CH2-CE2 4.39Å; W185-Y253 AromaticContact CZ2-CE2 3.52Å; W185-Y253 HydrophobicContact CZ2-CE2 3.52Å; W185-Y253 AromaticContact CZ2-CZ 3.68Å; W185-Y253 WeakPolarHBondContact CZ2-OH 3.43Å; W185-Y253 AromaticContact NE1-CZ 3.87Å; W185-Y253 PolarHBondContact NE1-OH 3.37Å; L249-Y253 PolarHBondContact O-N 3.04Å |
| 254 | G | 73.4 | Confident | 79.4 | Confident | 32 Ų | 32 | 81 Ų | 81 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -68.2 | 152.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y250 | Y250-G254 WeakPolarHBondContact O-CA 3.3Å; Y250-G254 PolarHBondContact O-N 3.21Å |
| 255 | A | 74.2 | Confident | 79.4 | Confident | 74 Ų | 74 | 80.9 Ų | 80.9 | 61% | 0.612 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 153 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I257 | A255-I257 PolarHBondContact O-N 2.85Š|
| 256 | P | 70.7 | Confident | 79.5 | Confident | 122 Ų | 122 | 84.4 Ų | 84.4 | 79% | 0.792 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -49.4 | 127.3 | 177.5 | 17.2 | -30 | 0 | 0 | 0 | 110.9 | Q258 | P256-Q258 PolarHBondContact O-N 3.38Å; P256-Q258 VanDerWaalsContact O-N 3.09Å |
| 257 | I | 65.9 | Low | 79.4 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | trans | -62.6 | 109.4 | -165.6 | -60.4 | 162.1 | 0 | 0 | 0 | 110.5 | Y250 A255 R260 V263 | Y250-I257 HydrophobicContact CE1-CG1 4.34Å; A255-I257 PolarHBondContact O-N 2.85Å; I257-R260 HydrophobicContact CG2-CB 4.39Å; I257-R260 HydrophobicContact CG2-CG 3.97Å; I257-V263 HydrophobicContact CD1-CG1 4.21Å; I257-V263 HydrophobicContact CG1-CG2 4.4Å; I257-V263 HydrophobicContact CG2-CB 4.13Å; I257-V263 HydrophobicContact CG2-CG2 3.52Å | ||
| 258 | Q | 67.1 | Low | 79.5 | Confident | 197 Ų | 197 | 79.4 Ų | 79.4 | 92% | 0.921 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74 | -37.3 | 176.4 | -70.6 | -177.4 | -5.5 | 0 | 0 | 112.5 | P256 | P256-Q258 PolarHBondContact O-N 3.38Å; P256-Q258 VanDerWaalsContact O-N 3.09Å |
| 259 | N | 79.4 | Confident | 79.9 | Confident | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | trans | -119.9 | 86.6 | 179.1 | -169.7 | -17.6 | 0 | 0 | 0 | 110.5 | W261 L262 V263 | N259-W261 VanDerWaalsContact C-N 3.27Å; N259-W261 PolarHBondContact O-N 2.85Å; N259-W261 PolarHBondContact OD1-N 3.38Å; N259-L262 HydrophobicContact CB-CB 4.19Å; N259-L262 PolarHBondContact O-N 3.49Å; N259-L262 PolarHBondContact OD1-N 3.03Å; N259-V263 PolarHBondContact O-N 3.27Å | ||
| 260 | R | 79.8 | Confident | 80.3 | Confident | 188 Ų | 188 | 78 Ų | 78 | 71% | 0.709 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.2 | -40.8 | -179.1 | -67.7 | -175.4 | -179.4 | -176 | -1.4 | 112.1 | I257 L262 V263 H264 | I257-R260 HydrophobicContact CG2-CB 4.39Å; I257-R260 HydrophobicContact CG2-CG 3.97Å; R260-L262 PolarHBondContact O-N 3.01Å; R260-V263 PolarHBondContact O-N 3.21Å; R260-H264 PolarHBondContact O-CD2 2.82Å; R260-H264 PolarHBondContact O-N 3.39Å |
| 261 | W | 80.2 | Confident | 80.7 | Confident | 155 Ų | 155 | 74 Ų | 74 | 59% | 0.587 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | -179.3 | 178.7 | 83.4 | 0 | 0 | 0 | 112.4 | G24 N259 V263 H264 I265 | G24-W261 PolarHBondContact O-NE1 3.46Å; N259-W261 VanDerWaalsContact C-N 3.27Å; N259-W261 PolarHBondContact O-N 2.85Å; N259-W261 PolarHBondContact OD1-N 3.38Å; W261-V263 VanDerWaalsContact C-N 3.32Å; W261-V263 PolarHBondContact O-N 3.36Å; W261-H264 PolarHBondContact O-N 3.39Å; W261-I265 HydrophobicContact CD2-CD1 3.7Å; W261-I265 HydrophobicContact CD2-CG1 4.5Å; W261-I265 HydrophobicContact CE3-CD1 3.9Å; W261-I265 HydrophobicContact CH2-CD1 3.35Å; W261-I265 HydrophobicContact CZ2-CD1 3.12Å; W261-I265 HydrophobicContact CZ2-CG1 4.47Å; W261-I265 HydrophobicContact CZ3-CD1 3.73Å; W261-I265 WeakPolarHBondContact O-CG1 3.3Å; W261-I265 PolarHBondContact O-N 3.01Å; W261-I265 VanDerWaalsContact O-N 3.11Å |
| 262 | L | 84.8 | Confident | 81.5 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.2 | -176.4 | 62.7 | 0 | 0 | 0 | 111.8 | N259 R260 I265 M266 | N259-L262 HydrophobicContact CB-CB 4.19Å; N259-L262 PolarHBondContact O-N 3.49Å; N259-L262 PolarHBondContact OD1-N 3.03Å; R260-L262 PolarHBondContact O-N 3.01Å; L262-I265 PolarHBondContact O-N 2.97Å; L262-M266 HydrophobicContact CD1-CE 3.71Å; L262-M266 HydrophobicContact CD1-CG 4.33Å; L262-M266 HydrophobicContact CG-CG 4.4Å; L262-M266 VanDerWaalsContact O-CG 3.25Å; L262-M266 WeakPolarHBondContact O-CG 3.48Å; L262-M266 PolarHBondContact O-N 2.96Å |
| 263 | V | 83.6 | Confident | 82.4 | Confident | 26 Ų | 26 | 72 Ų | 72 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | M247 Y250 I257 N259 R260 W261 M266 S267 | M247-V263 HydrophobicContact CE-CG1 3.84Å; M247-V263 WeakPolarHBondContact CE-O 3.27Å; Y250-V263 HydrophobicContact CE1-CG1 4.41Å; Y250-V263 HydrophobicContact CE1-CG2 3.75Å; I257-V263 HydrophobicContact CD1-CG1 4.21Å; I257-V263 HydrophobicContact CG1-CG2 4.4Å; I257-V263 HydrophobicContact CG2-CB 4.13Å; I257-V263 HydrophobicContact CG2-CG2 3.52Å; N259-V263 PolarHBondContact O-N 3.27Å; R260-V263 PolarHBondContact O-N 3.21Å; W261-V263 VanDerWaalsContact C-N 3.32Å; W261-V263 PolarHBondContact O-N 3.36Å; V263-M266 PolarHBondContact O-N 3.46Å; V263-S267 WeakPolarHBondContact O-CB 3.38Å; V263-S267 PolarHBondContact O-N 3.34Å |
| 264 | H | 83.1 | Confident | 83 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 174.8 | -73.3 | -66.8 | 0 | 0 | 0 | 111.8 | R260 W261 M266 S267 D268 | R260-H264 PolarHBondContact O-CD2 2.82Å; R260-H264 PolarHBondContact O-N 3.39Å; W261-H264 PolarHBondContact O-N 3.39Å; H264-M266 VanDerWaalsContact C-N 3.35Å; H264-M266 PolarHBondContact O-N 3.17Å; H264-S267 WeakPolarHBondContact O-CB 3.49Å; H264-S267 PolarHBondContact O-N 3.01Å; H264-D268 PolarHBondContact O-N 3.34Å |
| 265 | I | 86.7 | Confident | 84 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 177.2 | -69.8 | -177.3 | 0 | 0 | 0 | 111.8 | G24 L25 W261 L262 S267 D268 I269 | G24-I265 WeakPolarHBondContact O-CD1 3.33Å; L25-I265 HydrophobicContact CD1-CB 4.36Å; L25-I265 HydrophobicContact CD1-CG1 4.38Å; L25-I265 HydrophobicContact CD1-CG2 4.04Å; L25-I265 HydrophobicContact CG-CG1 4.23Å; L25-I265 HydrophobicContact CG-CG2 4.32Å; W261-I265 HydrophobicContact CD2-CD1 3.7Å; W261-I265 HydrophobicContact CD2-CG1 4.5Å; W261-I265 HydrophobicContact CE3-CD1 3.9Å; W261-I265 HydrophobicContact CH2-CD1 3.35Å; W261-I265 HydrophobicContact CZ2-CD1 3.12Å; W261-I265 HydrophobicContact CZ2-CG1 4.47Å; W261-I265 HydrophobicContact CZ3-CD1 3.73Å; W261-I265 WeakPolarHBondContact O-CG1 3.3Å; W261-I265 PolarHBondContact O-N 3.01Å; W261-I265 VanDerWaalsContact O-N 3.11Å; L262-I265 PolarHBondContact O-N 2.97Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 3.22Å; I265-D268 PolarHBondContact O-N 3.2Å; I265-I269 HydrophobicContact CG2-CD1 3.75Å; I265-I269 HydrophobicContact CG2-CG1 4.43Å; I265-I269 VanDerWaalsContact O-CG1 3.32Å; I265-I269 WeakPolarHBondContact O-CG1 3.21Å; I265-I269 PolarHBondContact O-N 3.03Å |
| 266 | M | 88.1 | Confident | 84.9 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.6 | -67.4 | -60.7 | 129.2 | 0 | 0 | 111.7 | M247 L262 V263 H264 I269 A270 | M247-M266 HydrophobicContact CE-CB 3.88Å; M247-M266 HydrophobicContact SD-CB 3.6Å; M247-M266 VanDerWaalsContact SD-CB 3.6Å; L262-M266 HydrophobicContact CD1-CE 3.71Å; L262-M266 HydrophobicContact CD1-CG 4.33Å; L262-M266 HydrophobicContact CG-CG 4.4Å; L262-M266 VanDerWaalsContact O-CG 3.25Å; L262-M266 WeakPolarHBondContact O-CG 3.48Å; L262-M266 PolarHBondContact O-N 2.96Å; V263-M266 PolarHBondContact O-N 3.46Å; H264-M266 VanDerWaalsContact C-N 3.35Å; H264-M266 PolarHBondContact O-N 3.17Å; M266-I269 HydrophobicContact CE-CD1 4.38Å; M266-A270 WeakPolarHBondContact O-CB 3.38Å; M266-A270 PolarHBondContact O-N 2.84Å |
| 267 | S | 85.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 174.5 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | V263 H264 I265 A270 N271 | V263-S267 WeakPolarHBondContact O-CB 3.38Å; V263-S267 PolarHBondContact O-N 3.34Å; H264-S267 WeakPolarHBondContact O-CB 3.49Å; H264-S267 PolarHBondContact O-N 3.01Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 3.22Å; S267-A270 WeakPolarHBondContact O-CB 3.36Å; S267-A270 PolarHBondContact O-N 3.46Å; S267-N271 PolarHBondContact O-N 3.24Å; S267-N271 PolarHBondContact O-ND2 3.46Å |
| 268 | D | 87.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -50.5 | 177.8 | -77.9 | -22.4 | 0 | 0 | 0 | 111.5 | H3 H5 L25 H264 I265 A270 N271 M272 | H3-D268 IonicContact CE1-OD1 3.93Å; H3-D268 IonicContact ND1-OD1 3.72Å; H5-D268 IonicContact CE1-OD1 3.41Å; H5-D268 PolarHBondContact CE1-OD1 3.49Å; H5-D268 IonicContact CE1-OD2 3.73Å; H5-D268 IonicContact NE2-OD1 3.59Å; L25-D268 HydrophobicContact CD1-CB 3.39Å; H264-D268 PolarHBondContact O-N 3.34Å; I265-D268 PolarHBondContact O-N 3.2Å; D268-A270 VanDerWaalsContact C-N 3.25Å; D268-A270 PolarHBondContact O-N 2.71Å; D268-N271 PolarHBondContact O-N 3.01Å; D268-M272 HydrophobicContact CB-CE 4.32Å; D268-M272 WeakPolarHBondContact O-CB 3.24Å; D268-M272 WeakPolarHBondContact O-CG 3.48Å; D268-M272 PolarHBondContact O-N 2.88Å |
| 269 | I | 91.5 | Very high | 88.3 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 35% | 0.349 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 177 | -68.2 | 170.2 | 0 | 0 | 0 | 110.6 | L25 I265 M266 M272 L273 | L25-I269 HydrophobicContact CD1-CG1 4.21Å; I265-I269 HydrophobicContact CG2-CD1 3.75Å; I265-I269 HydrophobicContact CG2-CG1 4.43Å; I265-I269 VanDerWaalsContact O-CG1 3.32Å; I265-I269 WeakPolarHBondContact O-CG1 3.21Å; I265-I269 PolarHBondContact O-N 3.03Å; M266-I269 HydrophobicContact CE-CD1 4.38Å; I269-M272 PolarHBondContact O-N 2.98Å; I269-L273 HydrophobicContact CG2-CD1 3.95Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CB 3.28Å; I269-L273 WeakPolarHBondContact O-CG 3.45Å; I269-L273 PolarHBondContact O-N 2.82Å |
| 270 | A | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P243 R244 M247 M266 S267 D268 A274 | P243-A270 HydrophobicContact CB-CB 3.74Å; R244-A270 HydrophobicContact CB-CB 4.33Å; M247-A270 HydrophobicContact CG-CB 3.89Å; M266-A270 WeakPolarHBondContact O-CB 3.38Å; M266-A270 PolarHBondContact O-N 2.84Å; S267-A270 WeakPolarHBondContact O-CB 3.36Å; S267-A270 PolarHBondContact O-N 3.46Å; D268-A270 VanDerWaalsContact C-N 3.25Å; D268-A270 PolarHBondContact O-N 2.71Å; A270-A274 PolarHBondContact O-N 2.95Å |
| 271 | N | 91.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 174.6 | -75.1 | -32.2 | 0 | 0 | 0 | 111.6 | H3 R244 S267 D268 L273 A274 L275 | H3-N271 PolarHBondContact CE1-ND2 3.2Å; R244-N271 WeakPolarHBondContact CD-OD1 3.38Å; R244-N271 PolarHBondContact NE-OD1 3.33Å; S267-N271 PolarHBondContact O-N 3.24Å; S267-N271 PolarHBondContact O-ND2 3.46Å; D268-N271 PolarHBondContact O-N 3.01Å; N271-L273 VanDerWaalsContact C-N 3.35Å; N271-L273 PolarHBondContact O-N 3.37Å; N271-A274 PolarHBondContact O-N 3.36Å; N271-L275 WeakPolarHBondContact O-CB 3.48Å; N271-L275 WeakPolarHBondContact O-CG 3.17Å; N271-L275 PolarHBondContact O-N 2.94Å |
| 272 | M | 93.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.3 | -71.5 | 179.4 | -165.9 | 0 | 0 | 111.6 | P29 Y32 Y33 D268 I269 L275 L276 | P29-M272 HydrophobicContact CB-CE 3.43Å; P29-M272 VanDerWaalsContact CB-CE 3.43Å; P29-M272 HydrophobicContact CG-CE 3.5Å; P29-M272 VanDerWaalsContact CG-CE 3.5Å; Y32-M272 HydrophobicContact CD1-CB 3.95Å; Y32-M272 HydrophobicContact CD1-CG 3.51Å; Y32-M272 HydrophobicContact CD1-SD 3.98Å; Y32-M272 HydrophobicContact CD2-SD 4.37Å; Y32-M272 HydrophobicContact CE1-CB 3.51Å; Y32-M272 HydrophobicContact CE1-CG 3.61Å; Y32-M272 HydrophobicContact CE1-SD 4.46Å; Y32-M272 HydrophobicContact CE2-CB 4.4Å; Y32-M272 HydrophobicContact CG-CG 4.08Å; Y32-M272 HydrophobicContact CG-SD 3.92Å; Y32-M272 PolarHBondContact OH-O 3.39Å; Y33-M272 HydrophobicContact CE2-CG 4.45Å; D268-M272 HydrophobicContact CB-CE 4.32Å; D268-M272 WeakPolarHBondContact O-CB 3.24Å; D268-M272 WeakPolarHBondContact O-CG 3.48Å; D268-M272 PolarHBondContact O-N 2.88Å; I269-M272 PolarHBondContact O-N 2.98Å; M272-L275 PolarHBondContact O-N 3.1Å; M272-L276 PolarHBondContact O-N 2.91Å |
| 273 | L | 93.8 | Very high | 90 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 31% | 0.314 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.6 | -75.1 | 170.3 | 0 | 0 | 0 | 111.6 | L240 P243 I269 N271 L275 L276 | L240-L273 WeakPolarHBondContact CB-O 3.29Å; L240-L273 HydrophobicContact CD2-CD2 4.1Å; L240-L273 CarbonylContact O-C 3.59Å; P243-L273 HydrophobicContact CB-CD1 4.35Å; P243-L273 HydrophobicContact CG-CD1 3.85Å; I269-L273 HydrophobicContact CG2-CD1 3.95Å; I269-L273 HydrophobicContact CG2-CG 4.44Å; I269-L273 WeakPolarHBondContact O-CB 3.28Å; I269-L273 WeakPolarHBondContact O-CG 3.45Å; I269-L273 PolarHBondContact O-N 2.82Å; N271-L273 VanDerWaalsContact C-N 3.35Å; N271-L273 PolarHBondContact O-N 3.37Å; L273-L275 VanDerWaalsContact C-N 3.32Å; L273-L275 PolarHBondContact O-N 3.44Å; L273-L276 VanDerWaalsContact O-CB 3.32Å; L273-L276 WeakPolarHBondContact O-CB 3.44Å; L273-L276 PolarHBondContact O-N 3.05Å |
| 274 | A | 92 | Very high | 90.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L240 W241 R244 A270 N271 N277 | L240-A274 WeakPolarHBondContact O-CA 3.34Å; L240-A274 PolarHBondContact O-N 2.96Å; W241-A274 HydrophobicContact CD2-CB 4.15Å; W241-A274 HydrophobicContact CE3-CB 4.49Å; W241-A274 HydrophobicContact CG-CB 4.4Å; W241-A274 HydrophobicContact CZ2-CB 4.47Å; W241-A274 PolarHBondContact NE1-O 2.73Å; R244-A274 HydrophobicContact CB-CB 4.26Å; A270-A274 PolarHBondContact O-N 2.95Å; N271-A274 PolarHBondContact O-N 3.36Å; A274-N277 VanDerWaalsContact O-CB 3.23Å; A274-N277 WeakPolarHBondContact O-CB 3.37Å; A274-N277 PolarHBondContact O-N 3Å |
| 275 | L | 93.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -74 | -25.1 | -179.1 | -71.4 | 168.3 | 0 | 0 | 0 | 113.2 | Y33 L36 V76 I80 V81 N271 M272 L273 N277 T278 | Y33-L275 HydrophobicContact CD1-CD1 4.42Å; Y33-L275 HydrophobicContact CE1-CB 4.47Å; Y33-L275 HydrophobicContact CE1-CD1 3.43Å; Y33-L275 VanDerWaalsContact CE1-CD1 3.43Å; L36-L275 HydrophobicContact CD2-CB 3.89Å; V76-L275 HydrophobicContact CG1-CD2 3.72Å; I80-L275 HydrophobicContact CG2-CD1 3.95Å; I80-L275 HydrophobicContact CG2-CD2 3.98Å; V81-L275 HydrophobicContact CG2-CD1 4.45Å; N271-L275 WeakPolarHBondContact O-CB 3.48Å; N271-L275 WeakPolarHBondContact O-CG 3.17Å; N271-L275 PolarHBondContact O-N 2.94Å; M272-L275 PolarHBondContact O-N 3.1Å; L273-L275 VanDerWaalsContact C-N 3.32Å; L273-L275 PolarHBondContact O-N 3.44Å; L275-N277 PolarHBondContact O-N 3.34Å; L275-N277 VanDerWaalsContact O-N 3.12Å; L275-T278 PolarHBondContact O-N 2.81Å; L275-T278 PolarHBondContact O-OG1 3.16Å |
| 276 | L | 94 | Very high | 90.6 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.2 | -31 | 172.5 | -172.8 | 58.5 | 0 | 0 | 0 | 112.5 | Y32 L36 L240 M272 L273 T278 A279 I280 | Y32-L276 WeakPolarHBondContact OH-CB 3.3Å; L36-L276 HydrophobicContact CD1-CD1 4.24Å; L240-L276 HydrophobicContact CD1-CB 4.21Å; L240-L276 HydrophobicContact CD1-CG 4.4Å; L240-L276 HydrophobicContact CD2-CD2 4.46Å; M272-L276 PolarHBondContact O-N 2.91Å; L273-L276 VanDerWaalsContact O-CB 3.32Å; L273-L276 WeakPolarHBondContact O-CB 3.44Å; L273-L276 PolarHBondContact O-N 3.05Å; L276-T278 PolarHBondContact O-N 3Å; L276-T278 VanDerWaalsContact O-N 3.15Å; L276-A279 PolarHBondContact O-N 3.22Å; L276-A279 VanDerWaalsContact O-N 3.12Å; L276-I280 PolarHBondContact O-N 2.76Å |
| 277 | N | 91.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.6 | -30.9 | 177.6 | -176.7 | 62.3 | 0 | 0 | 0 | 112.7 | L240 A274 L275 | L240-N277 HydrophobicContact CB-CB 4.46Å; L240-N277 HydrophobicContact CD1-CB 3.91Å; A274-N277 VanDerWaalsContact O-CB 3.23Å; A274-N277 WeakPolarHBondContact O-CB 3.37Å; A274-N277 PolarHBondContact O-N 3Å; L275-N277 PolarHBondContact O-N 3.34Å; L275-N277 VanDerWaalsContact O-N 3.12Å |
| 278 | T | 92.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -77.6 | -24.1 | -178.2 | 65.8 | 0 | 0 | 0 | 0 | 113.5 | N44 V76 L275 L276 | N44-T278 PolarHBondContact ND2-O 3.36Å; V76-T278 HydrophobicContact CB-CG2 3.99Å; V76-T278 HydrophobicContact CG1-CG2 3.55Å; V76-T278 HydrophobicContact CG2-CG2 4.43Å; L275-T278 PolarHBondContact O-N 2.81Å; L275-T278 PolarHBondContact O-OG1 3.16Å; L276-T278 PolarHBondContact O-N 3Å; L276-T278 VanDerWaalsContact O-N 3.15Å |
| 279 | A | 91.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 34 Ų | 34 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -96.2 | -24.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L36 L276 N281 | L36-A279 HydrophobicContact CD1-CB 3.47Å; L36-A279 VanDerWaalsContact CD1-CB 3.47Å; L36-A279 HydrophobicContact CG-CB 4.41Å; L276-A279 PolarHBondContact O-N 3.22Å; L276-A279 VanDerWaalsContact O-N 3.12Å; A279-N281 PolarHBondContact O-N 3.39Å |
| 280 | I | 91.6 | Very high | 90.2 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -76.6 | -21.1 | -171.7 | -160.8 | 166.3 | 0 | 0 | 0 | 113.8 | I236 L276 F282 F283 L284 | I236-I280 HydrophobicContact CG2-CG2 4.07Å; L276-I280 PolarHBondContact O-N 2.76Å; I280-F282 PolarHBondContact O-N 3.36Å; I280-F283 PolarHBondContact O-N 3.11Å; I280-F283 VanDerWaalsContact O-N 3.07Å; I280-L284 HydrophobicContact CG1-CG 4.22Å; I280-L284 HydrophobicContact CG2-CD1 4.09Å; I280-L284 WeakPolarHBondContact O-CG 3.42Å; I280-L284 PolarHBondContact O-N 3.23Å; I280-L284 VanDerWaalsContact O-N 3.12Å |
| 281 | N | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.3 | -44.9 | -172.6 | -81.7 | -28.4 | 0 | 0 | 0 | 113.9 | D73 A279 F283 L284 Y285 | D73-N281 PolarHBondContact OD2-ND2 3.03Å; A279-N281 PolarHBondContact O-N 3.39Å; N281-F283 VanDerWaalsContact C-N 3.35Å; N281-F283 PolarHBondContact O-N 3.35Å; N281-L284 WeakPolarHBondContact O-CB 3.49Å; N281-L284 PolarHBondContact O-N 3.38Å; N281-Y285 HydrophobicContact CB-CE2 3.92Å; N281-Y285 WeakPolarHBondContact O-CD2 3.36Å; N281-Y285 WeakPolarHBondContact O-CE2 3.33Å; N281-Y285 PolarHBondContact O-N 3.19Å |
| 282 | F | 88.9 | Confident | 90 | Very high | 27 Ų | 27 | 42 Ų | 42 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56 | -48 | 176.7 | 173.5 | -100.3 | 0 | 0 | 0 | 112.3 | A43 L46 T47 I50 I280 L284 Y285 C286 F292 | A43-F282 HydrophobicContact CB-CB 3.87Å; A43-F282 HydrophobicContact CB-CD1 4.17Å; A43-F282 HydrophobicContact CB-CG 4.04Å; L46-F282 HydrophobicContact CD2-CE2 3.67Å; L46-F282 HydrophobicContact CD2-CZ 3.72Å; L46-F282 HydrophobicContact CG-CE2 3.99Å; T47-F282 WeakPolarHBondContact OG1-CB 3.48Å; T47-F282 VanDerWaalsContact OG1-CD2 3.28Å; T47-F282 WeakPolarHBondContact OG1-CD2 3.48Å; I50-F282 HydrophobicContact CD1-CE2 4.11Å; I280-F282 PolarHBondContact O-N 3.36Å; F282-L284 VanDerWaalsContact C-N 3.32Å; F282-L284 PolarHBondContact O-N 2.9Å; F282-Y285 PolarHBondContact O-N 2.96Å; F282-C286 VanDerWaalsContact CZ-SG 3.58Å; F282-C286 PolarHBondContact O-N 3.23Å; F282-F292 AromaticContact CD2-CE1 3.75Å; F282-F292 HydrophobicContact CD2-CE1 3.75Å; F282-F292 AromaticContact CD2-CZ 3.73Å; F282-F292 HydrophobicContact CD2-CZ 3.73Å; F282-F292 AromaticContact CE2-CE1 3.68Å; F282-F292 HydrophobicContact CE2-CE1 3.68Å; F282-F292 AromaticContact CE2-CZ 3.92Å; F282-F292 HydrophobicContact CE2-CZ 3.92Å |
| 283 | F | 89.4 | Confident | 90 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.7 | -38.8 | -178.3 | -59.5 | -78.7 | 0 | 0 | 0 | 111.1 | I280 N281 C286 F287 | I280-F283 PolarHBondContact O-N 3.11Å; I280-F283 VanDerWaalsContact O-N 3.07Å; N281-F283 VanDerWaalsContact C-N 3.35Å; N281-F283 PolarHBondContact O-N 3.35Å; F283-C286 PolarHBondContact O-N 3.47Å; F283-F287 WeakPolarHBondContact O-CB 3.31Å; F283-F287 PolarHBondContact O-N 2.92Å |
| 284 | L | 88.9 | Confident | 90 | Very high | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.4 | -62.7 | 175.1 | 0 | 0 | 0 | 111.9 | T232 I233 I236 I280 N281 F282 C286 F287 I288 | T232-L284 HydrophobicContact CG2-CD1 4.41Å; T232-L284 HydrophobicContact CG2-CD2 3.8Å; I233-L284 HydrophobicContact CG1-CD1 4.36Å; I236-L284 HydrophobicContact CD1-CD1 3.48Å; I236-L284 VanDerWaalsContact CD1-CD1 3.48Å; I236-L284 HydrophobicContact CD1-CD2 3.61Å; I236-L284 HydrophobicContact CD1-CG 4.15Å; I280-L284 HydrophobicContact CG1-CG 4.22Å; I280-L284 HydrophobicContact CG2-CD1 4.09Å; I280-L284 WeakPolarHBondContact O-CG 3.42Å; I280-L284 PolarHBondContact O-N 3.23Å; I280-L284 VanDerWaalsContact O-N 3.12Å; N281-L284 WeakPolarHBondContact O-CB 3.49Å; N281-L284 PolarHBondContact O-N 3.38Å; F282-L284 VanDerWaalsContact C-N 3.32Å; F282-L284 PolarHBondContact O-N 2.9Å; L284-C286 VanDerWaalsContact C-N 3.34Å; L284-C286 PolarHBondContact O-N 3.16Å; L284-F287 PolarHBondContact O-N 2.93Å; L284-I288 WeakPolarHBondContact O-CB 3.22Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.3Å; L284-I288 PolarHBondContact O-N 3.39Å |
| 285 | Y | 88.7 | Confident | 90.1 | Very high | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 177 | -57 | -33.4 | 0 | 0 | 0 | 111.7 | T47 L66 I229 I233 N281 F282 S289 F292 | T47-Y285 HydrophobicContact CG2-CD2 3.9Å; T47-Y285 HydrophobicContact CG2-CE2 3.72Å; L66-Y285 HydrophobicContact CD2-CE1 3.79Å; L66-Y285 WeakPolarHBondContact CD2-OH 3.29Å; I229-Y285 HydrophobicContact CG2-CD1 4.12Å; I229-Y285 HydrophobicContact CG2-CE1 4.2Å; I233-Y285 HydrophobicContact CD1-CE1 3.63Å; I233-Y285 HydrophobicContact CG1-CE1 4.47Å; N281-Y285 HydrophobicContact CB-CE2 3.92Å; N281-Y285 WeakPolarHBondContact O-CD2 3.36Å; N281-Y285 WeakPolarHBondContact O-CE2 3.33Å; N281-Y285 PolarHBondContact O-N 3.19Å; F282-Y285 PolarHBondContact O-N 2.96Å; Y285-S289 WeakPolarHBondContact O-CA 3.19Å; Y285-S289 VanDerWaalsContact O-CB 3.23Å; Y285-S289 WeakPolarHBondContact O-CB 3.42Å; Y285-S289 PolarHBondContact O-N 3.43Å; Y285-F292 HydrophobicContact CD2-CE2 4.02Å; Y285-F292 HydrophobicContact CD2-CZ 4.09Å; Y285-F292 HydrophobicContact CG-CD2 4.47Å; Y285-F292 HydrophobicContact CG-CE2 4.37Å |
| 286 | C | 88.9 | Confident | 90.1 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 173.8 | -81 | 0 | 0 | 0 | 0 | 111.8 | F282 F283 L284 I288 F292 R293 | F282-C286 VanDerWaalsContact CZ-SG 3.58Å; F282-C286 PolarHBondContact O-N 3.23Å; F283-C286 PolarHBondContact O-N 3.47Å; L284-C286 VanDerWaalsContact C-N 3.34Å; L284-C286 PolarHBondContact O-N 3.16Å; C286-I288 PolarHBondContact O-N 2.73Å; C286-F292 VanDerWaalsContact SG-CE1 3.58Å; C286-R293 HydrophobicContact CB-CG 4.45Å; C286-R293 WeakPolarHBondContact O-CD 3.35Å; C286-R293 WeakPolarHBondContact O-CG 3.09Å; C286-R293 PolarHBondContact O-NE 3.47Å |
| 287 | F | 87.7 | Confident | 90.1 | Very high | 177 Ų | 177 | 49.2 Ų | 49.2 | 78% | 0.776 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.4 | -45.9 | -177.7 | -171.5 | -108.4 | 0 | 0 | 0 | 111.9 | F283 L284 | F283-F287 WeakPolarHBondContact O-CB 3.31Å; F283-F287 PolarHBondContact O-N 2.92Å; L284-F287 PolarHBondContact O-N 2.93Å |
| 288 | I | 83.5 | Confident | 90.2 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -94.3 | -38.2 | -167.6 | -52.5 | 168 | 0 | 0 | 0 | 112.3 | A228 I229 T232 L284 C286 | A228-I288 HydrophobicContact CB-CG2 4.37Å; I229-I288 HydrophobicContact CB-CG2 4.32Å; I229-I288 HydrophobicContact CD1-CG2 4.2Å; I229-I288 HydrophobicContact CG1-CB 3.65Å; I229-I288 HydrophobicContact CG1-CD1 4.29Å; I229-I288 HydrophobicContact CG1-CG2 3.25Å; T232-I288 HydrophobicContact CG2-CD1 4.07Å; L284-I288 WeakPolarHBondContact O-CB 3.22Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.3Å; L284-I288 PolarHBondContact O-N 3.39Å; C286-I288 PolarHBondContact O-N 2.73Å |
| 289 | S | 85.6 | Confident | 90.2 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | trans | -98.2 | 104.5 | -171.2 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | Y285 R291 F292 R293 | Y285-S289 WeakPolarHBondContact O-CA 3.19Å; Y285-S289 VanDerWaalsContact O-CB 3.23Å; Y285-S289 WeakPolarHBondContact O-CB 3.42Å; Y285-S289 PolarHBondContact O-N 3.43Å; S289-R291 PolarHBondContact O-N 2.67Å; S289-F292 PolarHBondContact O-N 2.84Å; S289-F292 VanDerWaalsContact O-N 3.17Å; S289-F292 WeakPolarHBondContact OG-CB 3.5Å; S289-F292 PolarHBondContact OG-N 2.69Å; S289-F292 VanDerWaalsContact OG-N 3.12Å; S289-R293 PolarHBondContact O-N 3.48Å | ||
| 290 | K | 87.9 | Confident | 90.2 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -54.9 | -37.4 | 170.5 | -175 | 174.7 | -178.5 | 175.9 | 0 | 111.8 | R293 T294 | K290-R293 PolarHBondContact O-N 3.04Å; K290-T294 PolarHBondContact O-N 3.15Å; K290-T294 PolarHBondContact O-OG1 3.13Å |
| 291 | R | 88.4 | Confident | 90.2 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 38% | 0.381 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | -179.8 | -67.5 | -177.7 | -179.4 | 139.2 | 4.2 | 111.9 | Y63 S289 T294 M295 | Y63-R291 WeakPolarHBondContact OH-CD 3.41Å; S289-R291 PolarHBondContact O-N 2.67Å; R291-T294 PolarHBondContact O-N 2.96Å; R291-M295 PolarHBondContact O-N 2.98Å; R291-M295 VanDerWaalsContact O-N 3.09Å |
| 292 | F | 90.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62 | -48.6 | 175 | -171.8 | -92.4 | 0 | 0 | 0 | 109.9 | T47 I50 L51 L54 F282 Y285 C286 S289 T294 M295 A296 | T47-F292 HydrophobicContact CG2-CE2 4.32Å; T47-F292 HydrophobicContact CG2-CZ 4.38Å; I50-F292 HydrophobicContact CB-CE2 3.96Å; I50-F292 HydrophobicContact CB-CZ 4.25Å; I50-F292 HydrophobicContact CD1-CE1 4.05Å; I50-F292 HydrophobicContact CD1-CE2 4.29Å; I50-F292 HydrophobicContact CD1-CZ 3.74Å; I50-F292 HydrophobicContact CG2-CD2 3.55Å; I50-F292 HydrophobicContact CG2-CE2 3.41Å; I50-F292 VanDerWaalsContact CG2-CE2 3.41Å; I50-F292 HydrophobicContact CG2-CG 4.23Å; I50-F292 HydrophobicContact CG2-CZ 3.98Å; L51-F292 HydrophobicContact CD2-CD2 4.25Å; L51-F292 HydrophobicContact CD2-CE2 4.25Å; L51-F292 HydrophobicContact CG-CE2 4.19Å; L54-F292 HydrophobicContact CD1-CD2 4.34Å; F282-F292 AromaticContact CD2-CE1 3.75Å; F282-F292 HydrophobicContact CD2-CE1 3.75Å; F282-F292 AromaticContact CD2-CZ 3.73Å; F282-F292 HydrophobicContact CD2-CZ 3.73Å; F282-F292 AromaticContact CE2-CE1 3.68Å; F282-F292 HydrophobicContact CE2-CE1 3.68Å; F282-F292 AromaticContact CE2-CZ 3.92Å; F282-F292 HydrophobicContact CE2-CZ 3.92Å; Y285-F292 HydrophobicContact CD2-CE2 4.02Å; Y285-F292 HydrophobicContact CD2-CZ 4.09Å; Y285-F292 HydrophobicContact CG-CD2 4.47Å; Y285-F292 HydrophobicContact CG-CE2 4.37Å; C286-F292 VanDerWaalsContact SG-CE1 3.58Å; S289-F292 PolarHBondContact O-N 2.84Å; S289-F292 VanDerWaalsContact O-N 3.17Å; S289-F292 WeakPolarHBondContact OG-CB 3.5Å; S289-F292 PolarHBondContact OG-N 2.69Å; S289-F292 VanDerWaalsContact OG-N 3.12Å; F292-T294 PolarHBondContact O-N 3.19Å; F292-M295 PolarHBondContact O-N 2.99Å; F292-M295 VanDerWaalsContact O-N 3.12Å; F292-A296 WeakPolarHBondContact O-CB 3.44Å; F292-A296 PolarHBondContact O-N 2.98Å |
| 293 | R | 93.2 | Very high | 90.2 | Very high | 131 Ų | 131 | 63.7 Ų | 63.7 | 49% | 0.494 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 175.9 | -75.4 | -168.4 | -81.1 | 157.9 | -7.8 | 113.9 | C286 S289 K290 M295 A296 A297 | C286-R293 HydrophobicContact CB-CG 4.45Å; C286-R293 WeakPolarHBondContact O-CD 3.35Å; C286-R293 WeakPolarHBondContact O-CG 3.09Å; C286-R293 PolarHBondContact O-NE 3.47Å; S289-R293 PolarHBondContact O-N 3.48Å; K290-R293 PolarHBondContact O-N 3.04Å; R293-M295 VanDerWaalsContact C-N 3.3Å; R293-M295 PolarHBondContact O-N 3.18Å; R293-A296 PolarHBondContact O-N 3.38Å; R293-A297 WeakPolarHBondContact O-CB 3.46Å; R293-A297 PolarHBondContact O-N 3.49Å |
| 294 | T | 93.8 | Very high | 90.1 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | K290 R291 F292 A298 | K290-T294 PolarHBondContact O-N 3.15Å; K290-T294 PolarHBondContact O-OG1 3.13Å; R291-T294 PolarHBondContact O-N 2.96Å; F292-T294 PolarHBondContact O-N 3.19Å; T294-A298 WeakPolarHBondContact O-CB 3.34Å; T294-A298 PolarHBondContact O-N 3Å; T294-A298 VanDerWaalsContact O-N 3.16Å |
| 295 | M | 93.2 | Very high | 89.9 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 175.9 | -169.3 | 60.4 | 70.1 | 0 | 0 | 111.1 | I50 Q53 L54 R291 F292 R293 A297 A298 T299 | I50-M295 HydrophobicContact CB-CG 4.48Å; I50-M295 HydrophobicContact CG2-CB 3.87Å; I50-M295 HydrophobicContact CG2-CG 3.79Å; Q53-M295 HydrophobicContact CB-CE 4.38Å; Q53-M295 HydrophobicContact CB-CG 4.4Å; Q53-M295 HydrophobicContact CB-SD 4.11Å; Q53-M295 PolarHBondContact OE1-SD 3.34Å; L54-M295 HydrophobicContact CD1-CB 4.48Å; L54-M295 HydrophobicContact CD2-CB 4.32Å; L54-M295 HydrophobicContact CD2-CE 3.91Å; L54-M295 HydrophobicContact CG-CB 4.34Å; L54-M295 HydrophobicContact CG-CE 4.35Å; L54-M295 HydrophobicContact CG-CG 4.27Å; R291-M295 PolarHBondContact O-N 2.98Å; R291-M295 VanDerWaalsContact O-N 3.09Å; F292-M295 PolarHBondContact O-N 2.99Å; F292-M295 VanDerWaalsContact O-N 3.12Å; R293-M295 VanDerWaalsContact C-N 3.3Å; R293-M295 PolarHBondContact O-N 3.18Å; M295-A297 VanDerWaalsContact C-N 3.32Å; M295-A297 PolarHBondContact O-N 2.93Å; M295-A298 CarbonylContact O-C 3.57Å; M295-A298 WeakPolarHBondContact O-CA 3.36Å; M295-A298 WeakPolarHBondContact O-CB 3.24Å; M295-A298 PolarHBondContact O-N 3.05Å; M295-T299 PolarHBondContact O-N 3.44Å; M295-T299 PolarHBondContact O-OG1 2.96Å |
| 296 | A | 93.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 78 Ų | 78 | 5% | 0.05 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -52.7 | -48.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I50 F292 R293 A298 T299 L300 | I50-A296 HydrophobicContact CD1-CB 3.53Å; I50-A296 HydrophobicContact CG1-CB 4.39Å; F292-A296 WeakPolarHBondContact O-CB 3.44Å; F292-A296 PolarHBondContact O-N 2.98Å; R293-A296 PolarHBondContact O-N 3.38Å; A296-A298 VanDerWaalsContact C-N 3.33Å; A296-A298 PolarHBondContact O-N 3.01Å; A296-T299 PolarHBondContact O-N 3.31Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 VanDerWaalsContact O-CG 3.28Å; A296-L300 WeakPolarHBondContact O-CG 3.42Å; A296-L300 PolarHBondContact O-N 3.49Å |
| 297 | A | 94.3 | Very high | 88.5 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R293 M295 K301 | R293-A297 WeakPolarHBondContact O-CB 3.46Å; R293-A297 PolarHBondContact O-N 3.49Å; M295-A297 VanDerWaalsContact C-N 3.32Å; M295-A297 PolarHBondContact O-N 2.93Å; A297-K301 VanDerWaalsContact O-CB 3.3Å; A297-K301 WeakPolarHBondContact O-CB 3.31Å; A297-K301 WeakPolarHBondContact O-CG 3.01Å; A297-K301 PolarHBondContact O-N 3.38Å |
| 298 | A | 92.8 | Very high | 87.1 | Confident | 53 Ų | 53 | 83.7 Ų | 83.7 | 44% | 0.438 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T294 M295 A296 K301 A302 | T294-A298 WeakPolarHBondContact O-CB 3.34Å; T294-A298 PolarHBondContact O-N 3Å; T294-A298 VanDerWaalsContact O-N 3.16Å; M295-A298 CarbonylContact O-C 3.57Å; M295-A298 WeakPolarHBondContact O-CA 3.36Å; M295-A298 WeakPolarHBondContact O-CB 3.24Å; M295-A298 PolarHBondContact O-N 3.05Å; A296-A298 VanDerWaalsContact C-N 3.33Å; A296-A298 PolarHBondContact O-N 3.01Å; A298-K301 PolarHBondContact O-N 3.1Å; A298-A302 WeakPolarHBondContact O-CB 3.4Å; A298-A302 PolarHBondContact O-N 2.89Å |
| 299 | T | 92.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 86.4 Ų | 86.4 | 1% | 0.012 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 177.6 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | L46 I49 Q53 M295 A296 A302 F303 | L46-T299 HydrophobicContact CD1-CG2 4.3Å; I49-T299 HydrophobicContact CG2-CG2 3.78Å; Q53-T299 PolarHBondContact OE1-OG1 3.32Å; Q53-T299 VanDerWaalsContact OE1-OG1 3.05Å; M295-T299 PolarHBondContact O-N 3.44Å; M295-T299 PolarHBondContact O-OG1 2.96Å; A296-T299 PolarHBondContact O-N 3.31Å; T299-A302 WeakPolarHBondContact O-CB 3.49Å; T299-A302 PolarHBondContact O-N 3.34Å; T299-F303 HydrophobicContact CG2-CD2 3.94Å; T299-F303 HydrophobicContact CG2-CE2 3.51Å; T299-F303 HydrophobicContact CG2-CZ 4.44Å; T299-F303 WeakPolarHBondContact O-CD2 3.44Å; T299-F303 PolarHBondContact O-N 3.06Å |
| 300 | L | 92 | Very high | 84.6 | Confident | 67 Ų | 67 | 90.3 Ų | 90.3 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 177 | -71.1 | 171.3 | 0 | 0 | 0 | 111.6 | L46 A296 A302 F303 F304 | L46-L300 HydrophobicContact CD1-CD2 4.42Å; L46-L300 HydrophobicContact CD2-CD2 4.11Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 VanDerWaalsContact O-CG 3.28Å; A296-L300 WeakPolarHBondContact O-CG 3.42Å; A296-L300 PolarHBondContact O-N 3.49Å; L300-A302 VanDerWaalsContact C-N 3.27Å; L300-A302 PolarHBondContact O-N 3.08Å; L300-F303 PolarHBondContact O-N 3.16Å; L300-F304 HydrophobicContact CB-CD2 4.5Å; L300-F304 HydrophobicContact CB-CE2 4.38Å; L300-F304 WeakPolarHBondContact O-CD2 3.47Å; L300-F304 PolarHBondContact O-N 2.86Å |
| 301 | K | 92.3 | Very high | 83 | Confident | 142 Ų | 142 | 88.9 Ų | 88.9 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.8 | -38.9 | 174.5 | -77.6 | 175 | -176.9 | -175.5 | 0 | 112.3 | A297 A298 K305 | A297-K301 VanDerWaalsContact O-CB 3.3Å; A297-K301 WeakPolarHBondContact O-CB 3.31Å; A297-K301 WeakPolarHBondContact O-CG 3.01Å; A297-K301 PolarHBondContact O-N 3.38Å; A298-K301 PolarHBondContact O-N 3.1Å; K301-K305 WeakPolarHBondContact O-CB 3.41Å; K301-K305 WeakPolarHBondContact O-CG 3.27Å; K301-K305 PolarHBondContact O-N 3.34Å |
| 302 | A | 89.2 | Confident | 81.3 | Confident | 19 Ų | 19 | 88.1 Ų | 88.1 | 16% | 0.157 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A298 T299 L300 K305 C306 Q307 | A298-A302 WeakPolarHBondContact O-CB 3.4Å; A298-A302 PolarHBondContact O-N 2.89Å; T299-A302 WeakPolarHBondContact O-CB 3.49Å; T299-A302 PolarHBondContact O-N 3.34Å; L300-A302 VanDerWaalsContact C-N 3.27Å; L300-A302 PolarHBondContact O-N 3.08Å; A302-K305 PolarHBondContact O-N 3.06Å; A302-C306 PolarHBondContact O-N 3.18Å; A302-C306 VanDerWaalsContact O-N 3.15Å; A302-Q307 PolarHBondContact O-N 2.94Å; A302-Q307 VanDerWaalsContact O-N 3.13Å |
| 303 | F | 88.1 | Confident | 79.4 | Confident | 114 Ų | 114 | 91.2 Ų | 91.2 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 173.8 | -77.7 | -57.8 | 0 | 0 | 0 | 111.9 | I49 T299 L300 K305 C306 | I49-F303 HydrophobicContact CD1-CE2 4.47Å; I49-F303 HydrophobicContact CD1-CZ 4.12Å; T299-F303 HydrophobicContact CG2-CD2 3.94Å; T299-F303 HydrophobicContact CG2-CE2 3.51Å; T299-F303 HydrophobicContact CG2-CZ 4.44Å; T299-F303 WeakPolarHBondContact O-CD2 3.44Å; T299-F303 PolarHBondContact O-N 3.06Å; L300-F303 PolarHBondContact O-N 3.16Å; F303-K305 VanDerWaalsContact C-N 3.32Å; F303-K305 PolarHBondContact O-N 3.15Å; F303-C306 PolarHBondContact O-N 2.81Å |
| 304 | F | 87 | Confident | 77.1 | Confident | 175 Ų | 175 | 93.9 Ų | 93.9 | 77% | 0.768 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.6 | -30.3 | 179.9 | -73.6 | -64.7 | 0 | 0 | 0 | 113.8 | L300 | L300-F304 HydrophobicContact CB-CD2 4.5Å; L300-F304 HydrophobicContact CB-CE2 4.38Å; L300-F304 WeakPolarHBondContact O-CD2 3.47Å; L300-F304 PolarHBondContact O-N 2.86Å |
| 305 | K | 85.6 | Confident | 74.8 | Confident | 140 Ų | 140 | 93 Ų | 93 | 61% | 0.609 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.3 | 178.5 | -68 | -171.2 | 174.1 | -166.7 | 0 | 113.9 | K301 A302 F303 Q307 | K301-K305 WeakPolarHBondContact O-CB 3.41Å; K301-K305 WeakPolarHBondContact O-CG 3.27Å; K301-K305 PolarHBondContact O-N 3.34Å; A302-K305 PolarHBondContact O-N 3.06Å; F303-K305 VanDerWaalsContact C-N 3.32Å; F303-K305 PolarHBondContact O-N 3.15Å; K305-Q307 HydrophobicContact CB-CB 4.32Å; K305-Q307 HydrophobicContact CB-CG 3.82Å; K305-Q307 PolarHBondContact O-N 3.36Å |
| 306 | C | 77.5 | Confident | 72.1 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 28.7 | -169.5 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | A302 F303 K308 | A302-C306 PolarHBondContact O-N 3.18Å; A302-C306 VanDerWaalsContact O-N 3.15Å; F303-C306 PolarHBondContact O-N 2.81Å; C306-K308 PolarHBondContact O-N 3.32Å |
| 307 | Q | 69.6 | Low | 69.6 | Low | 121 Ų | 121 | 105.2 Ų | 105.2 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 125.3 | -176.6 | -83.3 | -179.1 | -11.7 | 0 | 0 | 109 | A302 K305 Q309 | A302-Q307 PolarHBondContact O-N 2.94Å; A302-Q307 VanDerWaalsContact O-N 3.13Å; K305-Q307 HydrophobicContact CB-CB 4.32Å; K305-Q307 HydrophobicContact CB-CG 3.82Å; K305-Q307 PolarHBondContact O-N 3.36Å; Q307-Q309 PolarHBondContact O-N 3.43Å |
| 308 | K | 59.4 | Low | 66.7 | Low | 205 Ų | 205 | 109.8 Ų | 109.8 | 89% | 0.891 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 124.7 | 167.6 | -74.4 | -175.8 | 178.9 | 178.7 | 0 | 108.2 | C306 | C306-K308 PolarHBondContact O-N 3.32Š|
| 309 | Q | 58.4 | Low | 64.3 | Low | 87 Ų | 87 | 113.6 Ų | 113.6 | 41% | 0.407 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 135 | 173.3 | -76.1 | 174.5 | 9.7 | 0 | 0 | 108.7 | Q307 V311 | Q307-Q309 PolarHBondContact O-N 3.43Å; Q309-V311 PolarHBondContact O-N 3.31Å |
| 310 | P | 57.4 | Low | 61.6 | Low | 101 Ų | 101 | 117.3 Ų | 117.3 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 140.1 | 174.3 | 23 | -31.2 | 0 | 0 | 0 | 109.4 | Q312 | P310-Q312 PolarHBondContact O-N 3.31Š|
| 311 | V | 55.2 | Low | 59 | Low | 117 Ų | 117 | 121 Ų | 121 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -48 | 129.3 | -179.8 | 179 | 0 | 0 | 0 | 0 | 109.7 | Q309 F313 | Q309-V311 PolarHBondContact O-N 3.31Å; V311-F313 HydrophobicContact CB-CE2 4.38Å; V311-F313 HydrophobicContact CG1-CZ 4.48Å; V311-F313 VanDerWaalsContact O-CD2 3.26Å; V311-F313 WeakPolarHBondContact O-CD2 3.26Å; V311-F313 VanDerWaalsContact O-CE2 3.29Å; V311-F313 WeakPolarHBondContact O-CE2 3.29Å; V311-F313 PolarHBondContact O-N 3.17Å |
| 312 | Q | 51.6 | Low | 56.3 | Low | 86 Ų | 86 | 119 Ų | 119 | 40% | 0.402 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 121.9 | -178.6 | -66.7 | -178.3 | 3.1 | 0 | 0 | 110.1 | P310 | P310-Q312 PolarHBondContact O-N 3.31Š|
| 313 | F | 51.7 | Low | 53.9 | Low | 70 Ų | 70 | 122.3 Ų | 122.3 | 31% | 0.307 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -92.1 | 124.9 | 175.7 | -73.3 | -81.4 | 0 | 0 | 0 | 111.1 | V311 T315 Q341 Y342 I349 | V311-F313 HydrophobicContact CB-CE2 4.38Å; V311-F313 HydrophobicContact CG1-CZ 4.48Å; V311-F313 VanDerWaalsContact O-CD2 3.26Å; V311-F313 WeakPolarHBondContact O-CD2 3.26Å; V311-F313 VanDerWaalsContact O-CE2 3.29Å; V311-F313 WeakPolarHBondContact O-CE2 3.29Å; V311-F313 PolarHBondContact O-N 3.17Å; F313-T315 PolarHBondContact O-N 3.24Å; F313-Q341 HydrophobicContact CD1-CB 4.47Å; F313-Y342 VanDerWaalsContact CE1-O 3.23Å; F313-Y342 WeakPolarHBondContact CE1-O 3.23Å; F313-I349 HydrophobicContact CD1-CD1 4.5Å; F313-I349 HydrophobicContact CE1-CD1 3.45Å; F313-I349 VanDerWaalsContact CE1-CD1 3.45Å; F313-I349 HydrophobicContact CE2-CD1 3.58Å; F313-I349 HydrophobicContact CZ-CD1 2.93Å; F313-I349 HydrophobicContact CZ-CG1 4.43Å |
| 314 | Y | 43.1 | Very low | 51.7 | Low | 187 Ų | 187 | 120 Ų | 120 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -73.5 | 110.8 | 167.8 | -64.6 | -88.6 | 0 | 0 | 0 | 108.6 | N316 | Y314-N316 PolarHBondContact O-N 3.21Š| ||
| 315 | T | 46.2 | Very low | 50 | Low | 71 Ų | 71 | 117.6 Ų | 117.6 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | trans | -73 | 86.4 | 158.5 | 55.8 | 0 | 0 | 0 | 0 | 106.8 | F313 H317 | F313-T315 PolarHBondContact O-N 3.24Å; T315-H317 VanDerWaalsContact C-N 3.32Å; T315-H317 PolarHBondContact O-N 3.44Å | ||
| 316 | N | 35.8 | Very low | 48.2 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | trans | -62.5 | 105.8 | 158.8 | -88.5 | -10 | 0 | 0 | 0 | 105.7 | Y314 N318 | Y314-N316 PolarHBondContact O-N 3.21Å; N316-N318 PolarHBondContact O-N 3.22Å | ||
| 317 | H | 41.9 | Very low | 46.6 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 72% | 0.718 | 62% | 0.619 | S | S | * | * | trans | -71.3 | 40.8 | 166.2 | -72.2 | -78.8 | 0 | 0 | 0 | 110.7 | T315 F319 | T315-H317 VanDerWaalsContact C-N 3.32Å; T315-H317 PolarHBondContact O-N 3.44Å; H317-F319 PolarHBondContact O-N 2.96Å | ||
| 318 | N | 34.2 | Very low | 45.4 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | trans | -72 | 68.4 | 150.2 | -76.5 | 8 | 0 | 0 | 0 | 105.7 | N316 S320 | N316-N318 PolarHBondContact O-N 3.22Å; N318-S320 PolarHBondContact O-N 2.87Å | ||
| 319 | F | 41 | Very low | 44.9 | Very low | 132 Ų | 132 | 114 Ų | 114 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | trans | -64 | 89.1 | 157 | -155.9 | -83.7 | 0 | 0 | 0 | 102.9 | H317 I321 M337 | H317-F319 PolarHBondContact O-N 2.96Å; F319-I321 HydrophobicContact CD1-CG1 3.6Å; F319-I321 HydrophobicContact CE1-CG1 4.09Å; F319-I321 PolarHBondContact O-N 3.08Å; F319-M337 HydrophobicContact CD2-CE 4.19Å; F319-M337 HydrophobicContact CE1-CE 3.92Å; F319-M337 HydrophobicContact CE2-CE 3.17Å; F319-M337 HydrophobicContact CZ-CE 3.02Å | ||
| 320 | S | 35.8 | Very low | 44.6 | Very low | 80 Ų | 80 | 113.4 Ų | 113.4 | 56% | 0.559 | 62% | 0.62 | S | S | * | * | trans | -56.4 | 100 | 157.2 | 53.6 | 0 | 0 | 0 | 0 | 103.7 | N318 T322 | N318-S320 PolarHBondContact O-N 2.87Å; S320-T322 PolarHBondContact O-N 3.07Å | ||
| 321 | I | 37.1 | Very low | 43.9 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | trans | -67.1 | 58.7 | 154 | -53.4 | 172.9 | 0 | 0 | 0 | 105 | F319 S323 | F319-I321 HydrophobicContact CD1-CG1 3.6Å; F319-I321 HydrophobicContact CE1-CG1 4.09Å; F319-I321 PolarHBondContact O-N 3.08Å; I321-S323 PolarHBondContact O-N 2.98Å | ||
| 322 | T | 36.6 | Very low | 43.7 | Very low | 101 Ų | 101 | 112.3 Ų | 112.3 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | trans | -79.6 | 87.9 | 148.2 | 55 | 0 | 0 | 0 | 0 | 101.3 | S320 S324 | S320-T322 PolarHBondContact O-N 3.07Å; T322-S324 PolarHBondContact O-N 2.81Å | ||
| 323 | S | 39 | Very low | 43.4 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | trans | -34.9 | 111.5 | 159 | 45.9 | 0 | 0 | 0 | 0 | 107.6 | I321 P325 | I321-S323 PolarHBondContact O-N 2.98Å; S323-P325 VanDerWaalsContact O-CD 3.26Å; S323-P325 WeakPolarHBondContact O-CD 3.34Å; S323-P325 VanDerWaalsContact O-N 3.11Å | ||
| 324 | S | 42.3 | Very low | 43.1 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 47% | 0.469 | 65% | 0.654 | S | S | . | * | trans | -55.3 | 122.5 | 162.1 | -54.3 | 0 | 0 | 0 | 0 | 104.8 | T322 W326 I327 | T322-S324 PolarHBondContact O-N 2.81Å; S324-W326 PolarHBondContact O-N 3.04Å; S324-I327 PolarHBondContact O-N 2.95Å | ||
| 325 | P | 49.6 | Very low | 43 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 81% | 0.805 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -16 | -175.1 | -27.5 | 35 | 0 | 0 | 0 | 113.7 | S323 | S323-P325 VanDerWaalsContact O-CD 3.26Å; S323-P325 WeakPolarHBondContact O-CD 3.34Å; S323-P325 VanDerWaalsContact O-N 3.11Å |
| 326 | W | 49.4 | Very low | 42.6 | Very low | 244 Ų | 244 | 120.4 Ų | 120.4 | 92% | 0.924 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 1.3 | -178 | -62 | 106.5 | 0 | 0 | 0 | 115.6 | S324 | S324-W326 PolarHBondContact O-N 3.04Š|
| 327 | I | 43.8 | Very low | 43 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 42% | 0.415 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -115.3 | 105.4 | -177.7 | -58.7 | 167.9 | 0 | 0 | 0 | 109.5 | S324 I335 | S324-I327 PolarHBondContact O-N 2.95Å; I327-I335 HydrophobicContact CD1-CD1 4.35Å; I327-I335 HydrophobicContact CG2-CD1 3.61Å |
| 328 | S | 43.4 | Very low | 43 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 53% | 0.531 | 65% | 0.654 | S | S | . | * | trans | -59 | 133.7 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | A330 N331 | S328-A330 PolarHBondContact O-N 3.24Å; S328-N331 PolarHBondContact O-N 3.4Å | ||
| 329 | P | 49.7 | Very low | 43.7 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -52.9 | -28.2 | 179.5 | -27.9 | 34.6 | 0 | 0 | 0 | 114.3 | N331 S332 | P329-N331 VanDerWaalsContact C-N 3.34Å; P329-N331 PolarHBondContact O-N 3.24Å; P329-S332 PolarHBondContact O-N 3.36Å; P329-S332 PolarHBondContact O-OG 3.43Å |
| 330 | A | 50.9 | Low | 43.9 | Very low | 75 Ų | 75 | 119 Ų | 119 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -65.8 | -28.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S328 | S328-A330 PolarHBondContact O-N 3.24Š|
| 331 | N | 44.2 | Very low | 44.5 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -100.9 | 5.2 | -178.2 | -85.3 | -7.7 | 0 | 0 | 0 | 114.1 | S328 P329 H333 | S328-N331 PolarHBondContact O-N 3.4Å; P329-N331 VanDerWaalsContact C-N 3.34Å; P329-N331 PolarHBondContact O-N 3.24Å; N331-H333 PolarHBondContact O-N 3.15Å |
| 332 | S | 49.7 | Very low | 45.1 | Very low | 63 Ų | 63 | 119 Ų | 119 | 44% | 0.441 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -66.9 | -18.5 | -176.5 | 62.9 | 0 | 0 | 0 | 0 | 114.4 | P329 C334 | P329-S332 PolarHBondContact O-N 3.36Å; P329-S332 PolarHBondContact O-OG 3.43Å; S332-C334 VanDerWaalsContact C-N 3.26Å; S332-C334 PolarHBondContact O-N 2.81Å |
| 333 | H | 46.1 | Very low | 45.9 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 83% | 0.829 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -68.1 | -18.7 | -177.2 | -71.9 | -76.6 | 0 | 0 | 0 | 114.7 | N331 | N331-H333 PolarHBondContact O-N 3.15Š|
| 334 | C | 45.5 | Very low | 46.4 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 83% | 0.831 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -115.7 | 11.4 | -177.8 | -95.7 | 0 | 0 | 0 | 0 | 114.8 | S332 K336 | S332-C334 VanDerWaalsContact C-N 3.26Å; S332-C334 PolarHBondContact O-N 2.81Å; C334-K336 PolarHBondContact O-N 3.06Å |
| 335 | I | 40.7 | Very low | 47 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 44% | 0.436 | 64% | 0.641 | S | S | . | * | trans | -86.2 | 100.6 | 177.4 | -58.4 | 175.9 | 0 | 0 | 0 | 108.9 | I327 M337 | I327-I335 HydrophobicContact CD1-CD1 4.35Å; I327-I335 HydrophobicContact CG2-CD1 3.61Å; I335-M337 VanDerWaalsContact C-N 3.26Å; I335-M337 HydrophobicContact CG2-CG 4.03Å; I335-M337 PolarHBondContact O-N 3.39Å | ||
| 336 | K | 37.2 | Very low | 47 | Very low | 197 Ų | 197 | 120.8 Ų | 120.8 | 86% | 0.857 | 63% | 0.626 | S | S | * | * | trans | -67.2 | 91.1 | 158.9 | -81.3 | -178.5 | -179.7 | 172.5 | 0 | 107.6 | C334 L338 | C334-K336 PolarHBondContact O-N 3.06Å; K336-L338 PolarHBondContact O-N 3.11Å | ||
| 337 | M | 44.1 | Very low | 47.2 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 56% | 0.562 | 61% | 0.612 | S | S | * | * | trans | -64.8 | 108.9 | 165.5 | -90.9 | -152.1 | -81.1 | 0 | 0 | 108.7 | F319 I335 V339 | F319-M337 HydrophobicContact CD2-CE 4.19Å; F319-M337 HydrophobicContact CE1-CE 3.92Å; F319-M337 HydrophobicContact CE2-CE 3.17Å; F319-M337 HydrophobicContact CZ-CE 3.02Å; I335-M337 VanDerWaalsContact C-N 3.26Å; I335-M337 HydrophobicContact CG2-CG 4.03Å; I335-M337 PolarHBondContact O-N 3.39Å; M337-V339 VanDerWaalsContact C-N 3.33Å; M337-V339 PolarHBondContact O-N 2.84Å; M337-V339 VanDerWaalsContact O-N 3.07Å | ||
| 338 | L | 41.8 | Very low | 47.7 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | trans | -72.5 | 92.9 | 165.4 | -71.5 | 164.3 | 0 | 0 | 0 | 106.9 | K336 Y340 | K336-L338 PolarHBondContact O-N 3.11Å; L338-Y340 PolarHBondContact O-N 2.81Å; L338-Y340 VanDerWaalsContact O-N 3.11Å | ||
| 339 | V | 50 | Low | 48.3 | Very low | 120 Ų | 120 | 116 Ų | 116 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | trans | -71.6 | 104.2 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | M337 Q341 | M337-V339 VanDerWaalsContact C-N 3.33Å; M337-V339 PolarHBondContact O-N 2.84Å; M337-V339 VanDerWaalsContact O-N 3.07Å; V339-Q341 PolarHBondContact O-N 2.77Å | ||
| 340 | Y | 45.4 | Very low | 48.3 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 63% | 0.627 | 62% | 0.619 | S | S | * | * | trans | -65.6 | 124.4 | 168.4 | -68.6 | -83.6 | 0 | 0 | 0 | 108.6 | L338 Y342 | L338-Y340 PolarHBondContact O-N 2.81Å; L338-Y340 VanDerWaalsContact O-N 3.11Å; Y340-Y342 VanDerWaalsContact O-CD2 3.3Å; Y340-Y342 WeakPolarHBondContact O-CD2 3.3Å | ||
| 341 | Q | 47.4 | Very low | 48.2 | Very low | 95 Ų | 95 | 123 Ų | 123 | 44% | 0.444 | 63% | 0.627 | S | S | . | * | trans | -85 | 125.8 | 177.6 | -72 | -175.9 | -34.9 | 0 | 0 | 109.7 | F313 V339 I349 | F313-Q341 HydrophobicContact CD1-CB 4.47Å; V339-Q341 PolarHBondContact O-N 2.77Å; Q341-I349 PolarHBondContact O-N 2.97Å; Q341-I349 VanDerWaalsContact O-N 3.15Å | ||
| 342 | Y | 50.5 | Low | 47.9 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | B | Isolated β-bridge | trans | -104.3 | 144.7 | 176.9 | -68.1 | -92.7 | 0 | 0 | 0 | 109.9 | F313 Y340 G346 K347 P348 | F313-Y342 VanDerWaalsContact CE1-O 3.23Å; F313-Y342 WeakPolarHBondContact CE1-O 3.23Å; Y340-Y342 VanDerWaalsContact O-CD2 3.3Å; Y340-Y342 WeakPolarHBondContact O-CD2 3.3Å; Y342-G346 VanDerWaalsContact CD1-O 3.31Å; Y342-G346 WeakPolarHBondContact CD1-O 3.31Å; Y342-K347 WeakPolarHBondContact CA-O 3.26Å; Y342-P348 HydrophobicContact CD1-CB 4.23Å; Y342-P348 HydrophobicContact CE1-CB 3.85Å; Y342-P348 HydrophobicContact CE1-CG 4.37Å |
| 343 | D | 53.1 | Low | 47.4 | Very low | 48 Ų | 48 | 128 Ų | 128 | 26% | 0.257 | 67% | 0.668 | S | S | . | * | trans | -72.2 | 175.3 | 171.5 | 76 | 4.7 | 0 | 0 | 0 | 112.4 | N345 G346 K347 I349 | D343-N345 PolarHBondContact O-N 3.03Å; D343-N345 VanDerWaalsContact OD1-CA 3.25Å; D343-N345 WeakPolarHBondContact OD1-CA 3.37Å; D343-N345 WeakPolarHBondContact OD1-CB 3.25Å; D343-N345 PolarHBondContact OD1-N 3.05Å; D343-G346 PolarHBondContact O-N 2.85Å; D343-G346 PolarHBondContact OD1-N 3.25Å; D343-K347 PolarHBondContact N-O 2.96Å; D343-K347 PolarHBondContact OD1-N 2.86Å; D343-I349 HydrophobicContact CB-CD1 4.07Å; D343-I349 HydrophobicContact CB-CG1 4.32Å | ||
| 344 | K | 48.9 | Very low | 47.4 | Very low | 201 Ų | 201 | 125.5 Ų | 125.5 | 87% | 0.874 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -15 | 176.1 | 62 | 172.4 | -177.1 | 175.5 | 0 | 114.1 | ||
| 345 | N | 55.7 | Low | 47.5 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 8.2 | 179 | -58.5 | -26 | 0 | 0 | 0 | 111.7 | D343 K347 | D343-N345 PolarHBondContact O-N 3.03Å; D343-N345 VanDerWaalsContact OD1-CA 3.25Å; D343-N345 WeakPolarHBondContact OD1-CA 3.37Å; D343-N345 WeakPolarHBondContact OD1-CB 3.25Å; D343-N345 PolarHBondContact OD1-N 3.05Å; N345-K347 PolarHBondContact O-N 3.46Å |
| 346 | G | 48.8 | Very low | 47.9 | Very low | 49 Ų | 49 | 127.9 Ų | 127.9 | 51% | 0.505 | 66% | 0.663 | S | S | . | * | S | Bend | trans | 73.6 | 17.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y342 D343 | Y342-G346 VanDerWaalsContact CD1-O 3.31Å; Y342-G346 WeakPolarHBondContact CD1-O 3.31Å; D343-G346 PolarHBondContact O-N 2.85Å; D343-G346 PolarHBondContact OD1-N 3.25Å |
| 347 | K | 54.6 | Low | 48.6 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 61% | 0.613 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 134.8 | 174.5 | -71.2 | -173.1 | 177.2 | -177.1 | 0 | 111.6 | Y342 D343 N345 I349 | Y342-K347 WeakPolarHBondContact CA-O 3.26Å; D343-K347 PolarHBondContact N-O 2.96Å; D343-K347 PolarHBondContact OD1-N 2.86Å; N345-K347 PolarHBondContact O-N 3.46Å; K347-I349 PolarHBondContact O-N 2.93Å |
| 348 | P | 54.3 | Low | 48.8 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | B | Isolated β-bridge | trans | -68.3 | 127.5 | 174.3 | 27.2 | -32.1 | 0 | 0 | 0 | 109.7 | Y342 | Y342-P348 HydrophobicContact CD1-CB 4.23Å; Y342-P348 HydrophobicContact CE1-CB 3.85Å; Y342-P348 HydrophobicContact CE1-CG 4.37Å |
| 349 | I | 54.9 | Low | 49.3 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 37% | 0.374 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -87.6 | 122.2 | -175.6 | -56.6 | 173.2 | 0 | 0 | 0 | 108.8 | F313 Q341 D343 K347 V351 | F313-I349 HydrophobicContact CD1-CD1 4.5Å; F313-I349 HydrophobicContact CE1-CD1 3.45Å; F313-I349 VanDerWaalsContact CE1-CD1 3.45Å; F313-I349 HydrophobicContact CE2-CD1 3.58Å; F313-I349 HydrophobicContact CZ-CD1 2.93Å; F313-I349 HydrophobicContact CZ-CG1 4.43Å; Q341-I349 PolarHBondContact O-N 2.97Å; Q341-I349 VanDerWaalsContact O-N 3.15Å; D343-I349 HydrophobicContact CB-CD1 4.07Å; D343-I349 HydrophobicContact CB-CG1 4.32Å; K347-I349 PolarHBondContact O-N 2.93Å; I349-V351 PolarHBondContact O-N 2.83Å; I349-V351 VanDerWaalsContact O-N 3.08Å |
| 350 | K | 49.7 | Very low | 49.2 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 65% | 0.648 | S | S | * | * | trans | -55.5 | 115.8 | 173.2 | -78.2 | -175.2 | 176.9 | -178.9 | 0 | 108.9 | S352 | K350-S352 PolarHBondContact O-N 3.02Š| ||
| 351 | V | 49.3 | Very low | 49.5 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 78% | 0.782 | 65% | 0.649 | S | S | * | * | trans | -65.6 | 116.7 | 163 | -175.7 | 0 | 0 | 0 | 0 | 105.2 | I349 | I349-V351 PolarHBondContact O-N 2.83Å; I349-V351 VanDerWaalsContact O-N 3.08Å | ||
| 352 | S | 38.1 | Very low | 49.7 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | trans | -55.2 | 136.4 | 170.5 | 49.6 | 0 | 0 | 0 | 0 | 108.7 | K350 | K350-S352 PolarHBondContact O-N 3.02Š| ||
| 353 | P | 38.7 | Very low | 49.6 | Very low | 201 Ų | 201 | 122.7 Ų | 122.7 | 100% | 1.305 | 68% | 0.681 | S | S | * | * | trans | -56.8 | 0 | -162.6 | 21.3 | -33.1 | 0 | 0 | 0 | 114.9 |
Retrieved 353 of 353 residues in 721.1 ms
(Link to these results)