| 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 | 43.4 | Very low | 61.7 | Low | 201 Ų | 201 | 88.9 Ų | 88.9 | 99% | 0.99 | 51% | 0.508 | S | S | * | . | 0 | -65.1 | 0 | -70.7 | -154.1 | 157.4 | 0 | 0 | 113.3 | D4 S5 | M1-D4 PolarHBondContact N-OD2 2.98Å; M1-S5 WeakPolarHBondContact O-CB 3.39Å; M1-S5 PolarHBondContact O-N 2.93Å | |||
| 2 | A | 43.7 | Very low | 64 | Low | 78 Ų | 78 | 81.8 Ų | 81.8 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.3 | -38.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S5 V6 | A2-S5 WeakPolarHBondContact O-CB 3.42Å; A2-S5 PolarHBondContact O-N 3.34Å; A2-S5 PolarHBondContact O-OG 3.03Å; A2-V6 PolarHBondContact O-N 3.28Å |
| 3 | Q | 40.5 | Very low | 65.9 | Low | 173 Ų | 173 | 83.3 Ų | 83.3 | 81% | 0.808 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67 | -46.7 | 176.5 | -98.6 | 166.8 | -28.3 | 0 | 0 | 112.9 | S5 V6 D7 | Q3-S5 PolarHBondContact O-N 2.64Å; Q3-S5 VanDerWaalsContact O-N 3.1Å; Q3-V6 PolarHBondContact O-N 2.99Å; Q3-D7 PolarHBondContact O-N 3.26Å |
| 4 | D | 50.8 | Low | 67.7 | Low | 113 Ų | 113 | 83.8 Ų | 83.8 | 60% | 0.604 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.6 | -25.2 | 174.2 | -43.2 | -53.4 | 0 | 0 | 0 | 111.9 | M1 | M1-D4 PolarHBondContact N-OD2 2.98Å |
| 5 | S | 52.8 | Low | 69.4 | Low | 37 Ų | 37 | 78.9 Ų | 78.9 | 26% | 0.259 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.3 | -33.6 | -178.2 | 85.4 | 0 | 0 | 0 | 0 | 113.9 | M1 A2 Q3 R63 | M1-S5 WeakPolarHBondContact O-CB 3.39Å; M1-S5 PolarHBondContact O-N 2.93Å; A2-S5 WeakPolarHBondContact O-CB 3.42Å; A2-S5 PolarHBondContact O-N 3.34Å; A2-S5 PolarHBondContact O-OG 3.03Å; Q3-S5 PolarHBondContact O-N 2.64Å; Q3-S5 VanDerWaalsContact O-N 3.1Å; S5-R63 PolarHBondContact O-NH2 2.7Å |
| 6 | V | 56.8 | Low | 70.8 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -76.9 | -39.8 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | A2 Q3 L8 S9 C10 | A2-V6 PolarHBondContact O-N 3.28Å; Q3-V6 PolarHBondContact O-N 2.99Å; V6-L8 PolarHBondContact O-N 3.2Å; V6-S9 PolarHBondContact O-N 3.34Å; V6-C10 PolarHBondContact O-N 3.37Å |
| 7 | D | 69.2 | Low | 71.9 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | -178.5 | -154.8 | 27.1 | 0 | 0 | 0 | 111.4 | Q3 S9 C10 D11 | Q3-D7 PolarHBondContact O-N 3.26Å; D7-S9 VanDerWaalsContact C-N 3.27Å; D7-S9 PolarHBondContact O-N 3.32Å; D7-C10 PolarHBondContact O-N 3.48Å; D7-D11 PolarHBondContact O-N 3.3Å; D7-D11 VanDerWaalsContact O-N 3.07Å |
| 8 | L | 81.6 | Confident | 72.9 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.5 | -28.4 | -179.3 | -166.4 | 63.5 | 0 | 0 | 0 | 113.6 | V6 Y12 F44 K47 M48 A51 F64 | V6-L8 PolarHBondContact O-N 3.2Å; L8-Y12 WeakPolarHBondContact O-CB 3.44Å; L8-Y12 PolarHBondContact O-N 3.48Å; L8-F44 HydrophobicContact CD1-CD2 4.13Å; L8-F44 HydrophobicContact CD1-CE2 4.1Å; L8-K47 HydrophobicContact CD1-CB 3.81Å; L8-M48 HydrophobicContact CD1-CE 4.04Å; L8-M48 HydrophobicContact CD2-CE 4.19Å; L8-M48 HydrophobicContact CG-CE 4Å; L8-A51 HydrophobicContact CD2-CB 3.64Å; L8-F64 HydrophobicContact CD2-CZ 3.85Å; L8-F64 HydrophobicContact CG-CE1 4.48Å; L8-F64 HydrophobicContact CG-CZ 4.22Å |
| 9 | S | 76.6 | Confident | 73.8 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.8 | -37.8 | 179 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | V6 D7 Y12 Q13 | V6-S9 PolarHBondContact O-N 3.34Å; D7-S9 VanDerWaalsContact C-N 3.27Å; D7-S9 PolarHBondContact O-N 3.32Å; S9-Y12 WeakPolarHBondContact O-CB 3.21Å; S9-Y12 PolarHBondContact O-N 3.19Å; S9-Q13 PolarHBondContact O-N 2.69Å |
| 10 | C | 78.2 | Confident | 74.5 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.4 | -48.8 | 173.6 | -70 | 0 | 0 | 0 | 0 | 110.9 | V6 D7 Y12 Q13 F14 | V6-C10 PolarHBondContact O-N 3.37Å; D7-C10 PolarHBondContact O-N 3.48Å; C10-Y12 VanDerWaalsContact C-N 3.26Å; C10-Y12 PolarHBondContact O-N 3.11Å; C10-Q13 PolarHBondContact O-N 3.34Å; C10-F14 PolarHBondContact O-N 2.94Å; C10-F14 VanDerWaalsContact O-N 3.11Å |
| 11 | D | 85.6 | Confident | 75 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 23% | 0.23 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 175.6 | -76.6 | -9.4 | 0 | 0 | 0 | 111.3 | D7 Q13 F14 W15 F44 | D7-D11 PolarHBondContact O-N 3.3Å; D7-D11 VanDerWaalsContact O-N 3.07Å; D11-Q13 PolarHBondContact O-N 2.73Å; D11-F14 WeakPolarHBondContact O-CB 3.45Å; D11-F14 PolarHBondContact O-N 3.01Å; D11-W15 PolarHBondContact O-N 3.3Å; D11-F44 HydrophobicContact CB-CD2 3.86Å; D11-F44 HydrophobicContact CB-CE2 4.14Å |
| 12 | Y | 88.5 | Confident | 77 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 178.5 | 179.3 | -89 | 0 | 0 | 0 | 112.6 | L8 S9 C10 M16 F44 M48 F64 T66 I67 L70 | L8-Y12 WeakPolarHBondContact O-CB 3.44Å; L8-Y12 PolarHBondContact O-N 3.48Å; S9-Y12 WeakPolarHBondContact O-CB 3.21Å; S9-Y12 PolarHBondContact O-N 3.19Å; C10-Y12 VanDerWaalsContact C-N 3.26Å; C10-Y12 PolarHBondContact O-N 3.11Å; Y12-M16 HydrophobicContact CD1-CG 4.31Å; Y12-M16 HydrophobicContact CE1-CG 3.85Å; Y12-M16 WeakPolarHBondContact O-CB 3.44Å; Y12-M16 WeakPolarHBondContact O-CG 3.35Å; Y12-M16 PolarHBondContact O-N 3.02Å; Y12-F44 HydrophobicContact CD2-CZ 4.11Å; Y12-M48 HydrophobicContact CD2-CE 3.64Å; Y12-M48 HydrophobicContact CE2-CE 4.41Å; Y12-F64 HydrophobicContact CD1-CD1 4.34Å; Y12-F64 AromaticContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CE1 4.2Å; Y12-F64 HydrophobicContact CD2-CG 4.38Å; Y12-F64 HydrophobicContact CE2-CB 4Å; Y12-F64 AromaticContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CG 4.28Å; Y12-F64 AromaticContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CE1 4.29Å; Y12-T66 WeakPolarHBondContact CE1-OG1 3.21Å; Y12-T66 WeakPolarHBondContact OH-CA 3.44Å; Y12-T66 WeakPolarHBondContact OH-CB 3.27Å; Y12-T66 PolarHBondContact OH-N 3.08Å; Y12-T66 PolarHBondContact OH-O 3.44Å; Y12-T66 PolarHBondContact OH-OG1 3.48Å; Y12-I67 HydrophobicContact CE2-CD1 3.96Å; Y12-I67 WeakPolarHBondContact OH-CA 3.39Å; Y12-I67 PolarHBondContact OH-N 3.25Å; Y12-L70 HydrophobicContact CD2-CD1 3.89Å; Y12-L70 HydrophobicContact CE2-CB 4.38Å; Y12-L70 HydrophobicContact CE2-CD1 3.71Å |
| 13 | Q | 88.6 | Confident | 78.3 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.5 | -68.4 | -62.7 | -26.9 | 0 | 0 | 111.9 | S9 C10 D11 M16 Q17 | S9-Q13 PolarHBondContact O-N 2.69Å; C10-Q13 PolarHBondContact O-N 3.34Å; D11-Q13 PolarHBondContact O-N 2.73Å; Q13-M16 PolarHBondContact O-N 2.89Å; Q13-Q17 WeakPolarHBondContact O-CG 3.14Å; Q13-Q17 PolarHBondContact O-N 3.44Å; Q13-Q17 VanDerWaalsContact O-N 3.12Å |
| 14 | F | 91.5 | Very high | 79.2 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 40% | 0.395 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 175.2 | 172.1 | -97.1 | 0 | 0 | 0 | 111.7 | C10 D11 M16 Q17 K18 | C10-F14 PolarHBondContact O-N 2.94Å; C10-F14 VanDerWaalsContact O-N 3.11Å; D11-F14 WeakPolarHBondContact O-CB 3.45Å; D11-F14 PolarHBondContact O-N 3.01Å; F14-M16 PolarHBondContact O-N 3.31Å; F14-Q17 PolarHBondContact O-N 3.48Å; F14-K18 HydrophobicContact CE1-CG 4.01Å; F14-K18 HydrophobicContact CE2-CG 4.36Å; F14-K18 HydrophobicContact CZ-CG 3.9Å; F14-K18 PolarHBondContact O-N 3.18Å |
| 15 | W | 93.1 | Very high | 79.4 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 4% | 0.038 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69 | -34.3 | -179.3 | -71.2 | 117.1 | 0 | 0 | 0 | 113.1 | D11 Q17 K18 L19 W22 H37 Q40 F41 F44 | D11-W15 PolarHBondContact O-N 3.3Å; W15-Q17 VanDerWaalsContact C-N 3.3Å; W15-Q17 PolarHBondContact O-N 3.46Å; W15-K18 HydrophobicContact CE3-CB 4.07Å; W15-K18 HydrophobicContact CE3-CG 4.36Å; W15-K18 HydrophobicContact CZ3-CB 4.48Å; W15-K18 HydrophobicContact CZ3-CG 4.47Å; W15-K18 PolarHBondContact O-N 3.01Å; W15-L19 VanDerWaalsContact O-CB 3.3Å; W15-L19 WeakPolarHBondContact O-CB 3.21Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.44Å; W15-L19 PolarHBondContact O-N 3.42Å; W15-W22 HydrophobicContact CE3-CH2 4.39Å; W15-W22 AromaticContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CZ2 4.39Å; W15-H37 HydrophobicContact CH2-CB 4.02Å; W15-H37 HydrophobicContact CZ3-CB 4.06Å; W15-Q40 HydrophobicContact CH2-CB 3.79Å; W15-Q40 HydrophobicContact CZ2-CB 3.72Å; W15-F41 HydrophobicContact CB-CD2 4.27Å; W15-F41 HydrophobicContact CB-CE2 4.15Å; W15-F41 HydrophobicContact CD2-CB 4.5Å; W15-F41 AromaticContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CE2 4.32Å; W15-F41 HydrophobicContact CD2-CG 4.5Å; W15-F41 HydrophobicContact CE3-CB 4.1Å; W15-F41 AromaticContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CD2 3.49Å; W15-F41 VanDerWaalsContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CE2 4.34Å; W15-F41 HydrophobicContact CE3-CG 4.18Å; W15-F41 AromaticContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CE2 4.25Å; W15-F41 HydrophobicContact CH2-CB 3.81Å; W15-F41 HydrophobicContact CZ2-CB 4.21Å; W15-F41 HydrophobicContact CZ3-CB 3.76Å; W15-F41 HydrophobicContact CZ3-CD2 4.05Å; W15-F41 HydrophobicContact CZ3-CG 4.3Å; W15-F44 HydrophobicContact CB-CD1 4.18Å; W15-F44 HydrophobicContact CB-CE1 3.95Å; W15-F44 HydrophobicContact CB-CZ 4.24Å; W15-F44 AromaticContact CD1-CD1 3.46Å; W15-F44 VanDerWaalsContact CD1-CD1 3.46Å; W15-F44 AromaticContact CD1-CD2 3.37Å; W15-F44 AromaticContact CD1-CE1 3.9Å; W15-F44 AromaticContact CD1-CE2 3.81Å; W15-F44 AromaticContact CD1-CG 3.16Å; W15-F44 HydrophobicContact CG-CB 4.49Å; W15-F44 AromaticContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD2 4.4Å; W15-F44 HydrophobicContact CG-CE1 4.07Å; W15-F44 AromaticContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CZ 4.45Å; W15-F44 VanDerWaalsContact NE1-CB 3.31Å; W15-F44 AromaticContact NE1-CD2 3.86Å; W15-F44 AromaticContact NE1-CG 3.45Å |
| 16 | M | 91 | Very high | 79.8 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 171 | -84.3 | -57.7 | -69.8 | 0 | 0 | 112.5 | Y12 Q13 F14 S20 Q69 L70 | Y12-M16 HydrophobicContact CD1-CG 4.31Å; Y12-M16 HydrophobicContact CE1-CG 3.85Å; Y12-M16 WeakPolarHBondContact O-CB 3.44Å; Y12-M16 WeakPolarHBondContact O-CG 3.35Å; Y12-M16 PolarHBondContact O-N 3.02Å; Q13-M16 PolarHBondContact O-N 2.89Å; F14-M16 PolarHBondContact O-N 3.31Å; M16-S20 WeakPolarHBondContact O-CB 3.36Å; M16-S20 PolarHBondContact O-N 3.22Å; M16-S20 VanDerWaalsContact O-N 3.14Å; M16-S20 PolarHBondContact O-OG 3.15Å; M16-Q69 HydrophobicContact CE-CB 4.03Å; M16-L70 HydrophobicContact CG-CD1 3.93Å; M16-L70 VanDerWaalsContact SD-CA 3.5Å; M16-L70 HydrophobicContact SD-CB 3.41Å; M16-L70 WeakPolarHBondContact SD-CB 3.34Å; M16-L70 HydrophobicContact SD-CD1 3.83Å; M16-L70 HydrophobicContact SD-CG 3.93Å |
| 17 | Q | 89.9 | Confident | 80.5 | Confident | 130 Ų | 130 | 58.4 Ų | 58.4 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.8 | -47.9 | 176.1 | -70.6 | 176.9 | 5.8 | 0 | 0 | 111.2 | Q13 F14 W15 L19 S20 V21 | Q13-Q17 WeakPolarHBondContact O-CG 3.14Å; Q13-Q17 PolarHBondContact O-N 3.44Å; Q13-Q17 VanDerWaalsContact O-N 3.12Å; F14-Q17 PolarHBondContact O-N 3.48Å; W15-Q17 VanDerWaalsContact C-N 3.3Å; W15-Q17 PolarHBondContact O-N 3.46Å; Q17-L19 PolarHBondContact O-N 2.93Å; Q17-S20 WeakPolarHBondContact O-CB 3.35Å; Q17-S20 PolarHBondContact O-N 3.32Å; Q17-S20 VanDerWaalsContact O-N 3.12Å; Q17-V21 PolarHBondContact O-N 3.45Å; Q17-V21 VanDerWaalsContact O-N 3.13Å |
| 18 | K | 90 | Very high | 80.6 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 176 | -86.5 | -70.9 | -163.8 | 178.7 | 0 | 112.4 | F14 W15 S20 V21 W22 D33 H37 | F14-K18 HydrophobicContact CE1-CG 4.01Å; F14-K18 HydrophobicContact CE2-CG 4.36Å; F14-K18 HydrophobicContact CZ-CG 3.9Å; F14-K18 PolarHBondContact O-N 3.18Å; W15-K18 HydrophobicContact CE3-CB 4.07Å; W15-K18 HydrophobicContact CE3-CG 4.36Å; W15-K18 HydrophobicContact CZ3-CB 4.48Å; W15-K18 HydrophobicContact CZ3-CG 4.47Å; W15-K18 PolarHBondContact O-N 3.01Å; K18-S20 PolarHBondContact O-N 2.92Å; K18-V21 WeakPolarHBondContact O-CB 3.26Å; K18-V21 PolarHBondContact O-N 3.06Å; K18-W22 HydrophobicContact CB-CZ2 4.32Å; K18-W22 HydrophobicContact CD-CZ2 4.2Å; K18-W22 VanDerWaalsContact O-CG 3.3Å; K18-W22 PolarHBondContact O-N 3.39Å; K18-D33 IonicContact NZ-OD1 3.51Å; K18-D33 PolarHBondContact NZ-OD1 3.47Å; K18-D33 IonicContact NZ-OD2 2.69Å; K18-D33 PolarHBondContact NZ-OD2 3.42Å; K18-H37 PolarHBondContact NZ-CE1 2.88Å |
| 19 | L | 90.3 | Very high | 80.4 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.9 | -31.5 | 177.4 | -75.8 | 168.3 | 0 | 0 | 0 | 112.5 | W15 Q17 W22 D23 F41 L70 K73 A74 I80 | W15-L19 VanDerWaalsContact O-CB 3.3Å; W15-L19 WeakPolarHBondContact O-CB 3.21Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.44Å; W15-L19 PolarHBondContact O-N 3.42Å; Q17-L19 PolarHBondContact O-N 2.93Å; L19-W22 HydrophobicContact CD2-CE3 3.8Å; L19-W22 HydrophobicContact CD2-CZ3 4.15Å; L19-W22 HydrophobicContact CG-CE3 4.5Å; L19-W22 PolarHBondContact O-N 3.23Å; L19-D23 WeakPolarHBondContact O-CB 3.26Å; L19-D23 PolarHBondContact O-N 3.34Å; L19-F41 HydrophobicContact CD1-CE2 3.92Å; L19-F41 HydrophobicContact CD1-CZ 3.9Å; L19-F41 HydrophobicContact CD2-CE2 4.48Å; L19-F41 HydrophobicContact CD2-CZ 4.13Å; L19-F41 HydrophobicContact CG-CE2 4.33Å; L19-F41 HydrophobicContact CG-CZ 4.38Å; L19-L70 HydrophobicContact CD1-CD1 4.32Å; L19-L70 HydrophobicContact CD1-CD2 4.45Å; L19-L70 HydrophobicContact CD1-CG 3.76Å; L19-K73 HydrophobicContact CB-CB 4.08Å; L19-K73 HydrophobicContact CB-CD 4.17Å; L19-K73 HydrophobicContact CD1-CB 4.48Å; L19-K73 HydrophobicContact CD2-CB 4.47Å; L19-A74 HydrophobicContact CD2-CB 4.28Å; L19-I80 HydrophobicContact CD2-CD1 3.64Å |
| 20 | S | 87.5 | Confident | 80.4 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.8 | -31.7 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | M16 Q17 K18 | M16-S20 WeakPolarHBondContact O-CB 3.36Å; M16-S20 PolarHBondContact O-N 3.22Å; M16-S20 VanDerWaalsContact O-N 3.14Å; M16-S20 PolarHBondContact O-OG 3.15Å; Q17-S20 WeakPolarHBondContact O-CB 3.35Å; Q17-S20 PolarHBondContact O-N 3.32Å; Q17-S20 VanDerWaalsContact O-N 3.12Å; K18-S20 PolarHBondContact O-N 2.92Å |
| 21 | V | 85.2 | Confident | 80.2 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.4 | -43 | 169.9 | 177 | 0 | 0 | 0 | 0 | 110.1 | Q17 K18 D23 Q24 T30 | Q17-V21 PolarHBondContact O-N 3.45Å; Q17-V21 VanDerWaalsContact O-N 3.13Å; K18-V21 WeakPolarHBondContact O-CB 3.26Å; K18-V21 PolarHBondContact O-N 3.06Å; V21-D23 VanDerWaalsContact C-N 3.31Å; V21-D23 PolarHBondContact O-N 3.39Å; V21-Q24 PolarHBondContact O-N 3.2Å; V21-T30 HydrophobicContact CG1-CG2 4.41Å |
| 22 | W | 84.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -24.4 | -179.8 | -59.4 | -13.9 | 0 | 0 | 0 | 114.1 | W15 K18 L19 Q24 A25 D33 T34 H37 I80 | W15-W22 HydrophobicContact CE3-CH2 4.39Å; W15-W22 AromaticContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CH2 3.82Å; W15-W22 HydrophobicContact CZ3-CZ2 4.39Å; K18-W22 HydrophobicContact CB-CZ2 4.32Å; K18-W22 HydrophobicContact CD-CZ2 4.2Å; K18-W22 VanDerWaalsContact O-CG 3.3Å; K18-W22 PolarHBondContact O-N 3.39Å; L19-W22 HydrophobicContact CD2-CE3 3.8Å; L19-W22 HydrophobicContact CD2-CZ3 4.15Å; L19-W22 HydrophobicContact CG-CE3 4.5Å; L19-W22 PolarHBondContact O-N 3.23Å; W22-Q24 PolarHBondContact O-N 3.13Å; W22-Q24 VanDerWaalsContact O-N 3.09Å; W22-A25 VanDerWaalsContact O-CA 3.23Å; W22-A25 WeakPolarHBondContact O-CA 3.41Å; W22-A25 VanDerWaalsContact O-CB 3.24Å; W22-A25 WeakPolarHBondContact O-CB 3.42Å; W22-A25 PolarHBondContact O-N 3.05Å; W22-D33 PolarHBondContact NE1-OD2 3.01Å; W22-T34 HydrophobicContact CD2-CG2 4.15Å; W22-T34 HydrophobicContact CE3-CG2 3.87Å; W22-T34 HydrophobicContact CH2-CG2 4.39Å; W22-T34 HydrophobicContact CZ3-CG2 4.01Å; W22-H37 HydrophobicContact CH2-CB 3.92Å; W22-H37 HydrophobicContact CZ2-CB 3.78Å; W22-I80 HydrophobicContact CE3-CD1 3.96Å; W22-I80 HydrophobicContact CZ3-CD1 3.87Å; W22-I80 HydrophobicContact CZ3-CG1 4.42Å |
| 23 | D | 71.2 | Confident | 79.6 | Confident | 92 Ų | 92 | 62 Ų | 62 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.8 | 175.6 | -153.8 | 23.2 | 0 | 0 | 0 | 111.9 | L19 V21 A25 K73 | L19-D23 WeakPolarHBondContact O-CB 3.26Å; L19-D23 PolarHBondContact O-N 3.34Å; V21-D23 VanDerWaalsContact C-N 3.31Å; V21-D23 PolarHBondContact O-N 3.39Å; D23-A25 PolarHBondContact O-N 2.64Å; D23-A25 VanDerWaalsContact O-N 3.09Å; D23-K73 IonicContact OD2-NZ 3.74Å; D23-K73 PolarHBondContact OD2-NZ 2.9Å |
| 24 | Q | 59.7 | Low | 79.3 | Confident | 144 Ų | 144 | 57.2 Ų | 57.2 | 67% | 0.673 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 35.2 | 170.3 | -55.2 | -175.9 | 9.6 | 0 | 0 | 112.3 | V21 W22 S26 | V21-Q24 PolarHBondContact O-N 3.2Å; W22-Q24 PolarHBondContact O-N 3.13Å; W22-Q24 VanDerWaalsContact O-N 3.09Å; Q24-S26 PolarHBondContact O-N 3.44Å |
| 25 | A | 55 | Low | 78.7 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 12.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | W22 D23 | W22-A25 VanDerWaalsContact O-CA 3.23Å; W22-A25 WeakPolarHBondContact O-CA 3.41Å; W22-A25 VanDerWaalsContact O-CB 3.24Å; W22-A25 WeakPolarHBondContact O-CB 3.42Å; W22-A25 PolarHBondContact O-N 3.05Å; D23-A25 PolarHBondContact O-N 2.64Å; D23-A25 VanDerWaalsContact O-N 3.09Å |
| 26 | S | 61.5 | Low | 78.2 | Confident | 87 Ų | 87 | 58.1 Ų | 58.1 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -11.9 | -176.8 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | Q24 | Q24-S26 PolarHBondContact O-N 3.44Š|
| 27 | T | 72.1 | Confident | 78.1 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -96.1 | 138.3 | -177.8 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | E29 T30 Q31 | T27-E29 PolarHBondContact O-N 3.44Å; T27-T30 PolarHBondContact O-N 3.26Å; T27-T30 PolarHBondContact O-OG1 3.07Å; T27-T30 WeakPolarHBondContact OG1-CG2 3.46Å; T27-T30 PolarHBondContact OG1-N 3.22Å; T27-T30 PolarHBondContact OG1-OG1 3.38Å; T27-Q31 WeakPolarHBondContact O-CG 3.38Å; T27-Q31 PolarHBondContact O-N 3.09Å |
| 28 | L | 70.5 | Confident | 77.9 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -52.7 | -39.7 | 177 | -174.7 | 71.4 | 0 | 0 | 0 | 111.4 | T30 Q31 Q32 | L28-T30 PolarHBondContact O-N 3.35Å; L28-Q31 WeakPolarHBondContact O-CB 3.42Å; L28-Q31 PolarHBondContact O-N 3.1Å; L28-Q32 HydrophobicContact CG-CG 4.45Å; L28-Q32 VanDerWaalsContact CG-NE2 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 2.64Å |
| 29 | E | 77.6 | Confident | 77.6 | Confident | 153 Ų | 153 | 53.9 Ų | 53.9 | 72% | 0.715 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.3 | -45.8 | 176.8 | -66.8 | 177.5 | -179.2 | 0 | 0 | 112.7 | T27 Q31 Q32 D33 | T27-E29 PolarHBondContact O-N 3.44Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.33Å; E29-Q32 PolarHBondContact O-N 2.81Å; E29-D33 WeakPolarHBondContact O-CB 3.17Å; E29-D33 PolarHBondContact O-N 3.3Å |
| 30 | T | 76.7 | Confident | 77.5 | Confident | 15 Ų | 15 | 59 Ų | 59 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -32.9 | 177.9 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | V21 T27 L28 T34 | V21-T30 HydrophobicContact CG1-CG2 4.41Å; T27-T30 PolarHBondContact O-N 3.26Å; T27-T30 PolarHBondContact O-OG1 3.07Å; T27-T30 WeakPolarHBondContact OG1-CG2 3.46Å; T27-T30 PolarHBondContact OG1-N 3.22Å; T27-T30 PolarHBondContact OG1-OG1 3.38Å; L28-T30 PolarHBondContact O-N 3.35Å; T30-T34 WeakPolarHBondContact O-CB 3.43Å; T30-T34 PolarHBondContact O-N 2.83Å; T30-T34 PolarHBondContact O-OG1 3.02Å |
| 31 | Q | 74.9 | Confident | 77.7 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.6 | -44 | 176.8 | -58.7 | 178.2 | -10.8 | 0 | 0 | 110.6 | T27 L28 E29 T34 C35 F79 L133 | T27-Q31 WeakPolarHBondContact O-CG 3.38Å; T27-Q31 PolarHBondContact O-N 3.09Å; L28-Q31 WeakPolarHBondContact O-CB 3.42Å; L28-Q31 PolarHBondContact O-N 3.1Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.33Å; Q31-T34 PolarHBondContact O-N 3.06Å; Q31-C35 PolarHBondContact O-N 3.49Å; Q31-C35 PolarHBondContact O-SG 3.33Å; Q31-C35 VanDerWaalsContact O-SG 3.37Å; Q31-F79 HydrophobicContact CB-CD2 4.49Å; Q31-F79 HydrophobicContact CB-CE1 4.21Å; Q31-F79 HydrophobicContact CB-CE2 3.79Å; Q31-F79 HydrophobicContact CB-CZ 3.61Å; Q31-F79 HydrophobicContact CG-CD2 4.32Å; Q31-F79 HydrophobicContact CG-CE2 3.37Å; Q31-F79 HydrophobicContact CG-CZ 3.51Å; Q31-L133 VanDerWaalsContact NE2-CD2 3.33Å |
| 32 | Q | 76.6 | Confident | 77.9 | Confident | 50 Ų | 50 | 54 Ų | 54 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.8 | -63.7 | 172.1 | 14.1 | 0 | 0 | 111.7 | L28 E29 T34 C35 L36 | L28-Q32 HydrophobicContact CG-CG 4.45Å; L28-Q32 VanDerWaalsContact CG-NE2 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 2.64Å; E29-Q32 PolarHBondContact O-N 2.81Å; Q32-T34 VanDerWaalsContact C-N 3.31Å; Q32-T34 PolarHBondContact O-N 3.18Å; Q32-C35 PolarHBondContact O-N 2.92Å; Q32-L36 WeakPolarHBondContact O-CB 3.49Å; Q32-L36 PolarHBondContact O-N 3.33Å |
| 33 | D | 84.5 | Confident | 78.2 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.8 | -170.3 | 66.3 | 0 | 0 | 0 | 111.5 | K18 W22 E29 L36 H37 | K18-D33 IonicContact NZ-OD1 3.51Å; K18-D33 PolarHBondContact NZ-OD1 3.47Å; K18-D33 IonicContact NZ-OD2 2.69Å; K18-D33 PolarHBondContact NZ-OD2 3.42Å; W22-D33 PolarHBondContact NE1-OD2 3.01Å; E29-D33 WeakPolarHBondContact O-CB 3.17Å; E29-D33 PolarHBondContact O-N 3.3Å; D33-L36 PolarHBondContact O-N 3.04Å; D33-H37 PolarHBondContact O-N 3.49Å; D33-H37 PolarHBondContact O-ND1 3.32Å; D33-H37 IonicContact OD1-CE1 3.8Å; D33-H37 PolarHBondContact OD1-CE1 3.34Å; D33-H37 IonicContact OD1-ND1 2.76Å; D33-H37 PolarHBondContact OD1-ND1 2.94Å; D33-H37 IonicContact OD2-ND1 3.88Å |
| 34 | T | 82.7 | Confident | 79.2 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -51 | 175 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | W22 T30 Q31 Q32 L36 H37 V38 F79 I80 | W22-T34 HydrophobicContact CD2-CG2 4.15Å; W22-T34 HydrophobicContact CE3-CG2 3.87Å; W22-T34 HydrophobicContact CH2-CG2 4.39Å; W22-T34 HydrophobicContact CZ3-CG2 4.01Å; T30-T34 WeakPolarHBondContact O-CB 3.43Å; T30-T34 PolarHBondContact O-N 2.83Å; T30-T34 PolarHBondContact O-OG1 3.02Å; Q31-T34 PolarHBondContact O-N 3.06Å; Q32-T34 VanDerWaalsContact C-N 3.31Å; Q32-T34 PolarHBondContact O-N 3.18Å; T34-L36 VanDerWaalsContact C-N 3.27Å; T34-L36 PolarHBondContact O-N 2.86Å; T34-H37 PolarHBondContact O-N 3.36Å; T34-V38 WeakPolarHBondContact O-CB 3.49Å; T34-V38 PolarHBondContact O-N 3.17Å; T34-F79 HydrophobicContact CG2-CB 3.69Å; T34-I80 HydrophobicContact CG2-CG1 4.11Å |
| 35 | C | 78 | Confident | 80.8 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -36 | 179.5 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | Q31 Q32 V38 | Q31-C35 PolarHBondContact O-N 3.49Å; Q31-C35 PolarHBondContact O-SG 3.33Å; Q31-C35 VanDerWaalsContact O-SG 3.37Å; Q32-C35 PolarHBondContact O-N 2.92Å; C35-V38 WeakPolarHBondContact O-CG1 3.27Å |
| 36 | L | 83.5 | Confident | 82.5 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 53% | 0.534 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 178.2 | -178.5 | 64.9 | 0 | 0 | 0 | 112.4 | Q32 D33 T34 | Q32-L36 WeakPolarHBondContact O-CB 3.49Å; Q32-L36 PolarHBondContact O-N 3.33Å; D33-L36 PolarHBondContact O-N 3.04Å; T34-L36 VanDerWaalsContact C-N 3.27Å; T34-L36 PolarHBondContact O-N 2.86Å |
| 37 | H | 88.1 | Confident | 83.9 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -102.2 | -5 | -171.9 | -64.8 | 87.6 | 0 | 0 | 0 | 114 | W15 K18 W22 D33 T34 A39 Q40 F41 | W15-H37 HydrophobicContact CH2-CB 4.02Å; W15-H37 HydrophobicContact CZ3-CB 4.06Å; K18-H37 PolarHBondContact NZ-CE1 2.88Å; W22-H37 HydrophobicContact CH2-CB 3.92Å; W22-H37 HydrophobicContact CZ2-CB 3.78Å; D33-H37 PolarHBondContact O-N 3.49Å; D33-H37 PolarHBondContact O-ND1 3.32Å; D33-H37 IonicContact OD1-CE1 3.8Å; D33-H37 PolarHBondContact OD1-CE1 3.34Å; D33-H37 IonicContact OD1-ND1 2.76Å; D33-H37 PolarHBondContact OD1-ND1 2.94Å; D33-H37 IonicContact OD2-ND1 3.88Å; T34-H37 PolarHBondContact O-N 3.36Å; H37-A39 VanDerWaalsContact C-N 3.29Å; H37-A39 PolarHBondContact O-N 2.92Å; H37-Q40 PolarHBondContact O-N 3.12Å; H37-Q40 VanDerWaalsContact O-N 3.16Å; H37-F41 PolarHBondContact O-N 2.85Å |
| 38 | V | 85.6 | Confident | 84.8 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -35.1 | -173.3 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | T34 C35 F41 Q42 Y83 | T34-V38 WeakPolarHBondContact O-CB 3.49Å; T34-V38 PolarHBondContact O-N 3.17Å; C35-V38 WeakPolarHBondContact O-CG1 3.27Å; V38-F41 PolarHBondContact O-N 3.05Å; V38-Q42 WeakPolarHBondContact O-CG 3.39Å; V38-Q42 PolarHBondContact O-N 3.27Å; V38-Y83 HydrophobicContact CB-CE2 4.02Å; V38-Y83 HydrophobicContact CG1-CD2 4.34Å; V38-Y83 HydrophobicContact CG1-CE1 4.12Å; V38-Y83 HydrophobicContact CG1-CE2 3.54Å; V38-Y83 VanDerWaalsContact CG1-CZ 3.4Å; V38-Y83 WeakPolarHBondContact CG1-OH 3.44Å; V38-Y83 HydrophobicContact CG2-CD2 3.65Å; V38-Y83 HydrophobicContact CG2-CE2 3.57Å; V38-Y83 HydrophobicContact CG2-CG 4.38Å |
| 39 | A | 83.1 | Confident | 85.7 | Confident | 63 Ų | 63 | 46 Ų | 46 | 52% | 0.521 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H37 F41 Q42 E43 | H37-A39 VanDerWaalsContact C-N 3.29Å; H37-A39 PolarHBondContact O-N 2.92Å; A39-F41 VanDerWaalsContact C-N 3.32Å; A39-Q42 WeakPolarHBondContact O-CB 3.31Å; A39-Q42 PolarHBondContact O-N 3.41Å; A39-E43 PolarHBondContact O-N 3.43Å; A39-E43 VanDerWaalsContact O-N 3.12Å |
| 40 | Q | 89.7 | Confident | 86.3 | Confident | 111 Ų | 111 | 43.8 Ų | 43.8 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 174.8 | -63.7 | 173.5 | -5.2 | 0 | 0 | 110.9 | W15 H37 E43 F44 | W15-Q40 HydrophobicContact CH2-CB 3.79Å; W15-Q40 HydrophobicContact CZ2-CB 3.72Å; H37-Q40 PolarHBondContact O-N 3.12Å; H37-Q40 VanDerWaalsContact O-N 3.16Å; Q40-E43 PolarHBondContact O-N 3.1Å; Q40-F44 PolarHBondContact O-N 2.88Å |
| 41 | F | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 175.1 | -175.3 | -115.3 | 0 | 0 | 0 | 112.1 | W15 L19 H37 V38 A39 E43 F44 L45 A74 I80 | W15-F41 HydrophobicContact CB-CD2 4.27Å; W15-F41 HydrophobicContact CB-CE2 4.15Å; W15-F41 HydrophobicContact CD2-CB 4.5Å; W15-F41 AromaticContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CD2 3.56Å; W15-F41 HydrophobicContact CD2-CE2 4.32Å; W15-F41 HydrophobicContact CD2-CG 4.5Å; W15-F41 HydrophobicContact CE3-CB 4.1Å; W15-F41 AromaticContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CD2 3.49Å; W15-F41 VanDerWaalsContact CE3-CD2 3.49Å; W15-F41 HydrophobicContact CE3-CE2 4.34Å; W15-F41 HydrophobicContact CE3-CG 4.18Å; W15-F41 AromaticContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CD2 3.91Å; W15-F41 HydrophobicContact CG-CE2 4.25Å; W15-F41 HydrophobicContact CH2-CB 3.81Å; W15-F41 HydrophobicContact CZ2-CB 4.21Å; W15-F41 HydrophobicContact CZ3-CB 3.76Å; W15-F41 HydrophobicContact CZ3-CD2 4.05Å; W15-F41 HydrophobicContact CZ3-CG 4.3Å; L19-F41 HydrophobicContact CD1-CE2 3.92Å; L19-F41 HydrophobicContact CD1-CZ 3.9Å; L19-F41 HydrophobicContact CD2-CE2 4.48Å; L19-F41 HydrophobicContact CD2-CZ 4.13Å; L19-F41 HydrophobicContact CG-CE2 4.33Å; L19-F41 HydrophobicContact CG-CZ 4.38Å; H37-F41 PolarHBondContact O-N 2.85Å; V38-F41 PolarHBondContact O-N 3.05Å; A39-F41 VanDerWaalsContact C-N 3.32Å; F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 3.24Å; F41-F44 AromaticContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CE1 4.48Å; F41-F44 AromaticContact CE2-CD1 3.71Å; F41-F44 HydrophobicContact CE2-CD1 3.71Å; F41-F44 AromaticContact CE2-CE1 3.93Å; F41-F44 HydrophobicContact CE2-CE1 3.93Å; F41-F44 WeakPolarHBondContact O-CB 3.38Å; F41-F44 PolarHBondContact O-N 2.86Å; F41-L45 HydrophobicContact CD1-CD1 3.87Å; F41-L45 HydrophobicContact CD1-CG 4.16Å; F41-L45 HydrophobicContact CE1-CD1 3.44Å; F41-L45 VanDerWaalsContact CE1-CD1 3.44Å; F41-L45 HydrophobicContact CE1-CD2 4.12Å; F41-L45 HydrophobicContact CE1-CG 3.75Å; F41-L45 HydrophobicContact CE2-CD2 4.34Å; F41-L45 HydrophobicContact CE2-CG 4.29Å; F41-L45 HydrophobicContact CZ-CD1 4Å; F41-L45 HydrophobicContact CZ-CD2 3.78Å; F41-L45 HydrophobicContact CZ-CG 3.82Å; F41-L45 WeakPolarHBondContact O-CG 3.36Å; F41-L45 PolarHBondContact O-N 3.21Å; F41-A74 HydrophobicContact CE1-CB 3.96Å; F41-A74 HydrophobicContact CZ-CB 3.85Å; F41-I80 HydrophobicContact CD1-CD1 3.94Å; F41-I80 HydrophobicContact CD1-CG1 4.41Å; F41-I80 HydrophobicContact CD1-CG2 4.31Å; F41-I80 HydrophobicContact CE1-CD1 3.65Å; F41-I80 HydrophobicContact CE1-CG1 4.44Å; F41-I80 HydrophobicContact CE1-CG2 4.02Å; F41-I80 HydrophobicContact CZ-CD1 4.43Å |
| 42 | Q | 89 | Confident | 87.5 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 173.5 | -77.6 | 173.2 | -4.8 | 0 | 0 | 111.8 | V38 A39 L45 R46 S86 | V38-Q42 WeakPolarHBondContact O-CG 3.39Å; V38-Q42 PolarHBondContact O-N 3.27Å; A39-Q42 WeakPolarHBondContact O-CB 3.31Å; A39-Q42 PolarHBondContact O-N 3.41Å; Q42-L45 PolarHBondContact O-N 3.35Å; Q42-R46 WeakPolarHBondContact O-CG 3.15Å; Q42-R46 PolarHBondContact O-N 2.96Å; Q42-S86 VanDerWaalsContact CG-OG 3.27Å; Q42-S86 WeakPolarHBondContact CG-OG 3.19Å; Q42-S86 PolarHBondContact NE2-OG 2.92Å |
| 43 | E | 89.9 | Confident | 88 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 175.5 | -166.2 | -171.3 | 150 | 0 | 0 | 111.3 | A39 Q40 F41 L45 R46 K47 | A39-E43 PolarHBondContact O-N 3.43Å; A39-E43 VanDerWaalsContact O-N 3.12Å; Q40-E43 PolarHBondContact O-N 3.1Å; F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 3.24Å; E43-L45 PolarHBondContact O-N 3.01Å; E43-R46 PolarHBondContact O-N 3.5Å; E43-K47 WeakPolarHBondContact O-CG 3.34Å; E43-K47 PolarHBondContact O-N 2.97Å; E43-K47 VanDerWaalsContact OE1-CE 3.23Å; E43-K47 WeakPolarHBondContact OE1-CE 3.26Å; E43-K47 IonicContact OE1-NZ 3.56Å; E43-K47 PolarHBondContact OE1-NZ 2.67Å; E43-K47 VanDerWaalsContact OE1-NZ 3.13Å |
| 44 | F | 93.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 172.9 | 162.9 | -100.9 | 0 | 0 | 0 | 112.3 | L8 D11 Y12 W15 Q40 F41 R46 K47 M48 L70 | L8-F44 HydrophobicContact CD1-CD2 4.13Å; L8-F44 HydrophobicContact CD1-CE2 4.1Å; D11-F44 HydrophobicContact CB-CD2 3.86Å; D11-F44 HydrophobicContact CB-CE2 4.14Å; Y12-F44 HydrophobicContact CD2-CZ 4.11Å; W15-F44 HydrophobicContact CB-CD1 4.18Å; W15-F44 HydrophobicContact CB-CE1 3.95Å; W15-F44 HydrophobicContact CB-CZ 4.24Å; W15-F44 AromaticContact CD1-CD1 3.46Å; W15-F44 VanDerWaalsContact CD1-CD1 3.46Å; W15-F44 AromaticContact CD1-CD2 3.37Å; W15-F44 AromaticContact CD1-CE1 3.9Å; W15-F44 AromaticContact CD1-CE2 3.81Å; W15-F44 AromaticContact CD1-CG 3.16Å; W15-F44 HydrophobicContact CG-CB 4.49Å; W15-F44 AromaticContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD1 3.81Å; W15-F44 HydrophobicContact CG-CD2 4.4Å; W15-F44 HydrophobicContact CG-CE1 4.07Å; W15-F44 AromaticContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CG 3.97Å; W15-F44 HydrophobicContact CG-CZ 4.45Å; W15-F44 VanDerWaalsContact NE1-CB 3.31Å; W15-F44 AromaticContact NE1-CD2 3.86Å; W15-F44 AromaticContact NE1-CG 3.45Å; Q40-F44 PolarHBondContact O-N 2.88Å; F41-F44 AromaticContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CD1 3.84Å; F41-F44 HydrophobicContact CD2-CE1 4.48Å; F41-F44 AromaticContact CE2-CD1 3.71Å; F41-F44 HydrophobicContact CE2-CD1 3.71Å; F41-F44 AromaticContact CE2-CE1 3.93Å; F41-F44 HydrophobicContact CE2-CE1 3.93Å; F41-F44 WeakPolarHBondContact O-CB 3.38Å; F41-F44 PolarHBondContact O-N 2.86Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.96Å; F44-K47 PolarHBondContact O-N 3.5Å; F44-M48 HydrophobicContact CE2-CE 3.57Å; F44-M48 HydrophobicContact CZ-CE 3.53Å; F44-M48 WeakPolarHBondContact O-CB 3.36Å; F44-M48 PolarHBondContact O-N 2.88Å; F44-L70 HydrophobicContact CE1-CD1 3.78Å; F44-L70 HydrophobicContact CE1-CD2 4.06Å; F44-L70 HydrophobicContact CZ-CD1 3.78Å |
| 45 | L | 92 | Very high | 88 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 177 | -76.3 | 179.9 | 0 | 0 | 0 | 111.9 | F41 Q42 E43 M48 Y49 L70 L71 I89 L90 | F41-L45 HydrophobicContact CD1-CD1 3.87Å; F41-L45 HydrophobicContact CD1-CG 4.16Å; F41-L45 HydrophobicContact CE1-CD1 3.44Å; F41-L45 VanDerWaalsContact CE1-CD1 3.44Å; F41-L45 HydrophobicContact CE1-CD2 4.12Å; F41-L45 HydrophobicContact CE1-CG 3.75Å; F41-L45 HydrophobicContact CE2-CD2 4.34Å; F41-L45 HydrophobicContact CE2-CG 4.29Å; F41-L45 HydrophobicContact CZ-CD1 4Å; F41-L45 HydrophobicContact CZ-CD2 3.78Å; F41-L45 HydrophobicContact CZ-CG 3.82Å; F41-L45 WeakPolarHBondContact O-CG 3.36Å; F41-L45 PolarHBondContact O-N 3.21Å; Q42-L45 PolarHBondContact O-N 3.35Å; E43-L45 PolarHBondContact O-N 3.01Å; L45-M48 PolarHBondContact O-N 2.95Å; L45-Y49 WeakPolarHBondContact O-CB 3.39Å; L45-Y49 PolarHBondContact O-N 3.39Å; L45-L70 HydrophobicContact CD2-CD2 4.33Å; L45-L71 HydrophobicContact CD2-CD2 4.48Å; L45-I89 HydrophobicContact CB-CB 4.45Å; L45-I89 HydrophobicContact CB-CG2 3.65Å; L45-I89 WeakPolarHBondContact O-CG2 3.41Å; L45-L90 HydrophobicContact CD1-CD2 3.89Å; L45-L90 HydrophobicContact CD1-CG 4Å; L45-L90 HydrophobicContact CD2-CD2 3.92Å |
| 46 | R | 91.3 | Very high | 88.1 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 43% | 0.434 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 173.8 | -69.9 | -177.2 | -165.1 | 120.2 | 4.7 | 111.4 | Q42 E43 F44 M48 Y49 E50 I89 | Q42-R46 WeakPolarHBondContact O-CG 3.15Å; Q42-R46 PolarHBondContact O-N 2.96Å; E43-R46 PolarHBondContact O-N 3.5Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.96Å; R46-M48 PolarHBondContact O-N 3.34Å; R46-Y49 PolarHBondContact O-N 3.47Å; R46-E50 PolarHBondContact O-N 3.38Å; R46-I89 HydrophobicContact CG-CD1 3.56Å; R46-I89 HydrophobicContact CG-CG1 4.16Å |
| 47 | K | 91.2 | Very high | 87.6 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 175.7 | -67.3 | 177.6 | -175 | 172.8 | 0 | 111.2 | L8 E43 F44 A51 | L8-K47 HydrophobicContact CD1-CB 3.81Å; E43-K47 WeakPolarHBondContact O-CG 3.34Å; E43-K47 PolarHBondContact O-N 2.97Å; E43-K47 VanDerWaalsContact OE1-CE 3.23Å; E43-K47 WeakPolarHBondContact OE1-CE 3.26Å; E43-K47 IonicContact OE1-NZ 3.56Å; E43-K47 PolarHBondContact OE1-NZ 2.67Å; E43-K47 VanDerWaalsContact OE1-NZ 3.13Å; F44-K47 PolarHBondContact O-N 3.5Å; K47-A51 PolarHBondContact O-N 2.83Å; K47-A51 VanDerWaalsContact O-N 3.1Å |
| 48 | M | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 176.3 | -170.5 | 58.9 | 58.8 | 0 | 0 | 111.9 | L8 Y12 F44 L45 R46 E50 A51 L52 F64 I67 | L8-M48 HydrophobicContact CD1-CE 4.04Å; L8-M48 HydrophobicContact CD2-CE 4.19Å; L8-M48 HydrophobicContact CG-CE 4Å; Y12-M48 HydrophobicContact CD2-CE 3.64Å; Y12-M48 HydrophobicContact CE2-CE 4.41Å; F44-M48 HydrophobicContact CE2-CE 3.57Å; F44-M48 HydrophobicContact CZ-CE 3.53Å; F44-M48 WeakPolarHBondContact O-CB 3.36Å; F44-M48 PolarHBondContact O-N 2.88Å; L45-M48 PolarHBondContact O-N 2.95Å; R46-M48 PolarHBondContact O-N 3.34Å; M48-E50 PolarHBondContact O-N 2.79Å; M48-A51 PolarHBondContact O-N 3.48Å; M48-L52 HydrophobicContact CG-CD1 4.09Å; M48-L52 HydrophobicContact CG-CG 4.3Å; M48-L52 WeakPolarHBondContact O-CB 3.44Å; M48-L52 VanDerWaalsContact O-CG 3.29Å; M48-L52 WeakPolarHBondContact O-CG 3.36Å; M48-L52 PolarHBondContact O-N 2.73Å; M48-L52 HydrophobicContact SD-CG 4.37Å; M48-F64 HydrophobicContact CE-CD1 4.29Å; M48-F64 HydrophobicContact CE-CE1 4.01Å; M48-F64 HydrophobicContact CE-CZ 4.23Å; M48-F64 HydrophobicContact SD-CD2 4.26Å; M48-F64 HydrophobicContact SD-CE1 4.42Å; M48-F64 HydrophobicContact SD-CE2 4.12Å; M48-F64 HydrophobicContact SD-CG 4.46Å; M48-F64 HydrophobicContact SD-CZ 4.21Å; M48-I67 HydrophobicContact CG-CD1 4.02Å; M48-I67 HydrophobicContact SD-CD1 3.92Å |
| 49 | Y | 90.3 | Very high | 87 | Confident | 48 Ų | 48 | 60 Ų | 60 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 176.1 | 167.3 | -114.4 | 0 | 0 | 0 | 111.9 | L45 R46 A51 L52 K53 W92 | L45-Y49 WeakPolarHBondContact O-CB 3.39Å; L45-Y49 PolarHBondContact O-N 3.39Å; R46-Y49 PolarHBondContact O-N 3.47Å; Y49-A51 VanDerWaalsContact C-N 3.26Å; Y49-A51 PolarHBondContact O-N 3.32Å; Y49-L52 PolarHBondContact O-N 3.12Å; Y49-K53 WeakPolarHBondContact O-CB 3.34Å; Y49-K53 PolarHBondContact O-N 3.35Å; Y49-W92 HydrophobicContact CD1-CE3 4.26Å; Y49-W92 HydrophobicContact CD2-CB 3.65Å; Y49-W92 HydrophobicContact CE1-CE3 4.08Å; Y49-W92 HydrophobicContact CE2-CB 3.57Å; Y49-W92 HydrophobicContact CE2-CG 4.36Å; Y49-W92 HydrophobicContact CG-CB 4.31Å |
| 50 | E | 90.5 | Very high | 87 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 177.8 | -68.2 | -59.2 | 153.6 | 0 | 0 | 111.7 | R46 M48 | R46-E50 PolarHBondContact O-N 3.38Å; M48-E50 PolarHBondContact O-N 2.79Å |
| 51 | A | 88.1 | Confident | 86.5 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L8 K47 M48 Y49 K53 E54 M55 | L8-A51 HydrophobicContact CD2-CB 3.64Å; K47-A51 PolarHBondContact O-N 2.83Å; K47-A51 VanDerWaalsContact O-N 3.1Å; M48-A51 PolarHBondContact O-N 3.48Å; Y49-A51 VanDerWaalsContact C-N 3.26Å; Y49-A51 PolarHBondContact O-N 3.32Å; A51-K53 VanDerWaalsContact C-N 3.32Å; A51-K53 PolarHBondContact O-N 2.77Å; A51-E54 PolarHBondContact O-N 3.05Å; A51-M55 HydrophobicContact CB-CE 3.92Å; A51-M55 VanDerWaalsContact O-CG 3.26Å; A51-M55 WeakPolarHBondContact O-CG 3.42Å; A51-M55 PolarHBondContact O-N 3.35Å |
| 52 | L | 88.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -32 | -178.7 | -71.3 | 177.6 | 0 | 0 | 0 | 112.8 | M48 Y49 E54 M55 V60 C93 C96 L97 | M48-L52 HydrophobicContact CG-CD1 4.09Å; M48-L52 HydrophobicContact CG-CG 4.3Å; M48-L52 WeakPolarHBondContact O-CB 3.44Å; M48-L52 VanDerWaalsContact O-CG 3.29Å; M48-L52 WeakPolarHBondContact O-CG 3.36Å; M48-L52 PolarHBondContact O-N 2.73Å; M48-L52 HydrophobicContact SD-CG 4.37Å; Y49-L52 PolarHBondContact O-N 3.12Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.29Å; L52-M55 PolarHBondContact O-N 3.49Å; L52-V60 HydrophobicContact CD2-CB 4.27Å; L52-V60 HydrophobicContact CD2-CG1 3.54Å; L52-V60 HydrophobicContact CD2-CG2 3.66Å; L52-C93 HydrophobicContact CD1-CB 4.11Å; L52-C96 HydrophobicContact CB-CB 3.89Å; L52-L97 HydrophobicContact CD2-CD2 4.1Å |
| 53 | K | 85.3 | Confident | 85.9 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -31.8 | -179.4 | -177.5 | -177.5 | 168.1 | -161.8 | 0 | 113.2 | Y49 A51 | Y49-K53 WeakPolarHBondContact O-CB 3.34Å; Y49-K53 PolarHBondContact O-N 3.35Å; A51-K53 VanDerWaalsContact C-N 3.32Å; A51-K53 PolarHBondContact O-N 2.77Å |
| 54 | E | 83.5 | Confident | 85.8 | Confident | 152 Ų | 152 | 63.2 Ų | 63.2 | 71% | 0.71 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -97.5 | -11.3 | -175.9 | -60.1 | -60.6 | 141.4 | 0 | 0 | 113.5 | A51 L52 | A51-E54 PolarHBondContact O-N 3.05Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.29Å |
| 55 | M | 84.8 | Confident | 85.5 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -96.5 | 141.9 | -176.1 | -69.2 | 177.4 | -162.3 | 0 | 0 | 112.3 | A51 L52 T59 V60 F64 | A51-M55 HydrophobicContact CB-CE 3.92Å; A51-M55 VanDerWaalsContact O-CG 3.26Å; A51-M55 WeakPolarHBondContact O-CG 3.42Å; A51-M55 PolarHBondContact O-N 3.35Å; L52-M55 PolarHBondContact O-N 3.49Å; M55-T59 HydrophobicContact CB-CG2 4.17Å; M55-T59 HydrophobicContact CG-CG2 3.9Å; M55-T59 HydrophobicContact SD-CG2 4.04Å; M55-V60 HydrophobicContact CB-CG2 3.6Å; M55-V60 HydrophobicContact SD-CG2 4.41Å; M55-F64 HydrophobicContact CE-CE2 4.41Å; M55-F64 HydrophobicContact SD-CE2 4.25Å |
| 56 | D | 80.3 | Confident | 85.3 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | trans | -73.5 | 161.1 | 165.4 | 72.4 | 78.6 | 0 | 0 | 0 | 111.3 | N58 T59 V60 | D56-N58 VanDerWaalsContact C-N 3.26Å; D56-N58 PolarHBondContact O-N 3.19Å; D56-N58 WeakPolarHBondContact OD1-CA 3.48Å; D56-N58 VanDerWaalsContact OD1-CB 3.28Å; D56-N58 WeakPolarHBondContact OD1-CB 3.4Å; D56-N58 PolarHBondContact OD1-N 3.27Å; D56-T59 PolarHBondContact O-N 2.88Å; D56-T59 VanDerWaalsContact O-N 3.16Å; D56-T59 PolarHBondContact OD1-N 2.81Å; D56-T59 PolarHBondContact OD1-OG1 3.12Å; D56-T59 PolarHBondContact OD2-OG1 2.88Å; D56-V60 WeakPolarHBondContact O-CG2 3.3Å; D56-V60 PolarHBondContact O-N 3Å | ||
| 57 | S | 73.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -31 | -176.3 | -63.8 | 0 | 0 | 0 | 0 | 114.6 | I61 N99 | S57-I61 WeakPolarHBondContact O-CD1 3.48Å; S57-I61 VanDerWaalsContact O-CG1 3.3Å; S57-I61 WeakPolarHBondContact O-CG1 3.41Å; S57-I61 PolarHBondContact O-N 2.84Å; S57-N99 PolarHBondContact OG-ND2 3.01Å; S57-N99 PolarHBondContact OG-OD1 2.95Å |
| 58 | N | 76.8 | Confident | 85.1 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -72.6 | -44.6 | 178.6 | -61.4 | -33.8 | 0 | 0 | 0 | 110 | D56 V60 I61 E62 | D56-N58 VanDerWaalsContact C-N 3.26Å; D56-N58 PolarHBondContact O-N 3.19Å; D56-N58 WeakPolarHBondContact OD1-CA 3.48Å; D56-N58 VanDerWaalsContact OD1-CB 3.28Å; D56-N58 WeakPolarHBondContact OD1-CB 3.4Å; D56-N58 PolarHBondContact OD1-N 3.27Å; N58-V60 VanDerWaalsContact C-N 3.29Å; N58-V60 PolarHBondContact O-N 2.83Å; N58-I61 PolarHBondContact O-N 3.24Å; N58-E62 WeakPolarHBondContact O-CG 3.33Å; N58-E62 PolarHBondContact O-N 3.24Å |
| 59 | T | 83.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 176 | -61 | 0 | 0 | 0 | 0 | 111.8 | M55 D56 R63 | M55-T59 HydrophobicContact CB-CG2 4.17Å; M55-T59 HydrophobicContact CG-CG2 3.9Å; M55-T59 HydrophobicContact SD-CG2 4.04Å; D56-T59 PolarHBondContact O-N 2.88Å; D56-T59 VanDerWaalsContact O-N 3.16Å; D56-T59 PolarHBondContact OD1-N 2.81Å; D56-T59 PolarHBondContact OD1-OG1 3.12Å; D56-T59 PolarHBondContact OD2-OG1 2.88Å; T59-R63 WeakPolarHBondContact O-CB 3.45Å; T59-R63 PolarHBondContact O-N 3.29Å; T59-R63 VanDerWaalsContact O-N 3.09Å |
| 60 | V | 82.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 176 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | L52 M55 D56 N58 R63 F64 I67 L97 | L52-V60 HydrophobicContact CD2-CB 4.27Å; L52-V60 HydrophobicContact CD2-CG1 3.54Å; L52-V60 HydrophobicContact CD2-CG2 3.66Å; M55-V60 HydrophobicContact CB-CG2 3.6Å; M55-V60 HydrophobicContact SD-CG2 4.41Å; D56-V60 WeakPolarHBondContact O-CG2 3.3Å; D56-V60 PolarHBondContact O-N 3Å; N58-V60 VanDerWaalsContact C-N 3.29Å; N58-V60 PolarHBondContact O-N 2.83Å; V60-R63 PolarHBondContact O-N 2.84Å; V60-F64 CarbonylContact O-C 3.43Å; V60-F64 WeakPolarHBondContact O-CA 3.32Å; V60-F64 PolarHBondContact O-N 2.96Å; V60-I67 HydrophobicContact CG1-CG2 3.99Å; V60-L97 HydrophobicContact CG1-CD2 3.81Å |
| 61 | I | 80.3 | Confident | 85.2 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | -177.4 | -67.7 | 167.3 | 0 | 0 | 0 | 111.3 | S57 N58 P65 | S57-I61 WeakPolarHBondContact O-CD1 3.48Å; S57-I61 VanDerWaalsContact O-CG1 3.3Å; S57-I61 WeakPolarHBondContact O-CG1 3.41Å; S57-I61 PolarHBondContact O-N 2.84Å; N58-I61 PolarHBondContact O-N 3.24Å; I61-P65 WeakPolarHBondContact O-CA 3.45Å; I61-P65 WeakPolarHBondContact O-CB 3.2Å |
| 62 | E | 83.1 | Confident | 85.3 | Confident | 165 Ų | 165 | 59.8 Ų | 59.8 | 77% | 0.771 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 176.5 | -73.8 | -178.1 | 177.7 | 0 | 0 | 112 | N58 | N58-E62 WeakPolarHBondContact O-CG 3.33Å; N58-E62 PolarHBondContact O-N 3.24Å |
| 63 | R | 85.1 | Confident | 85.4 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -86.3 | -33.2 | -173.4 | -163.2 | 167 | 173.1 | -166.8 | -19.6 | 113.6 | S5 T59 V60 | S5-R63 PolarHBondContact O-NH2 2.7Å; T59-R63 WeakPolarHBondContact O-CB 3.45Å; T59-R63 PolarHBondContact O-N 3.29Å; T59-R63 VanDerWaalsContact O-N 3.09Å; V60-R63 PolarHBondContact O-N 2.84Å |
| 64 | F | 88 | Confident | 85.6 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | trans | -133.7 | 68 | -178 | -51.6 | -68.9 | 0 | 0 | 0 | 110.4 | L8 Y12 M48 M55 V60 T66 I67 | L8-F64 HydrophobicContact CD2-CZ 3.85Å; L8-F64 HydrophobicContact CG-CE1 4.48Å; L8-F64 HydrophobicContact CG-CZ 4.22Å; Y12-F64 HydrophobicContact CD1-CD1 4.34Å; Y12-F64 AromaticContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CD1 3.6Å; Y12-F64 HydrophobicContact CD2-CE1 4.2Å; Y12-F64 HydrophobicContact CD2-CG 4.38Å; Y12-F64 HydrophobicContact CE2-CB 4Å; Y12-F64 AromaticContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CD1 3.9Å; Y12-F64 HydrophobicContact CE2-CG 4.28Å; Y12-F64 AromaticContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CD1 3.84Å; Y12-F64 HydrophobicContact CG-CE1 4.29Å; M48-F64 HydrophobicContact CE-CD1 4.29Å; M48-F64 HydrophobicContact CE-CE1 4.01Å; M48-F64 HydrophobicContact CE-CZ 4.23Å; M48-F64 HydrophobicContact SD-CD2 4.26Å; M48-F64 HydrophobicContact SD-CE1 4.42Å; M48-F64 HydrophobicContact SD-CE2 4.12Å; M48-F64 HydrophobicContact SD-CG 4.46Å; M48-F64 HydrophobicContact SD-CZ 4.21Å; M55-F64 HydrophobicContact CE-CE2 4.41Å; M55-F64 HydrophobicContact SD-CE2 4.25Å; V60-F64 CarbonylContact O-C 3.43Å; V60-F64 WeakPolarHBondContact O-CA 3.32Å; V60-F64 PolarHBondContact O-N 2.96Å; F64-T66 PolarHBondContact O-N 2.79Å; F64-I67 HydrophobicContact CB-CB 3.9Å; F64-I67 WeakPolarHBondContact O-CB 3.41Å; F64-I67 WeakPolarHBondContact O-CG2 3.43Å; F64-I67 PolarHBondContact O-N 3.48Å | ||
| 65 | P | 85.1 | Confident | 85.8 | Confident | 95 Ų | 95 | 49 Ų | 49 | 62% | 0.617 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.7 | -172 | 22 | -33.7 | 0 | 0 | 0 | 114.1 | I61 | I61-P65 WeakPolarHBondContact O-CA 3.45Å; I61-P65 WeakPolarHBondContact O-CB 3.2Å |
| 66 | T | 89.7 | Confident | 85.8 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 15.7 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | Y12 F64 G68 Q69 L70 | Y12-T66 WeakPolarHBondContact CE1-OG1 3.21Å; Y12-T66 WeakPolarHBondContact OH-CA 3.44Å; Y12-T66 WeakPolarHBondContact OH-CB 3.27Å; Y12-T66 PolarHBondContact OH-N 3.08Å; Y12-T66 PolarHBondContact OH-O 3.44Å; Y12-T66 PolarHBondContact OH-OG1 3.48Å; F64-T66 PolarHBondContact O-N 2.79Å; T66-G68 PolarHBondContact O-N 2.94Å; T66-G68 VanDerWaalsContact O-N 3.16Å; T66-Q69 WeakPolarHBondContact O-CA 3.28Å; T66-Q69 VanDerWaalsContact O-CB 3.29Å; T66-Q69 WeakPolarHBondContact O-CB 3.32Å; T66-Q69 PolarHBondContact O-N 2.95Å; T66-L70 PolarHBondContact O-N 3.34Å |
| 67 | I | 89.3 | Confident | 85.8 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -37.4 | -172.4 | -173.5 | 62.4 | 0 | 0 | 0 | 112.2 | Y12 M48 V60 F64 Q69 L70 L71 L97 | Y12-I67 HydrophobicContact CE2-CD1 3.96Å; Y12-I67 WeakPolarHBondContact OH-CA 3.39Å; Y12-I67 PolarHBondContact OH-N 3.25Å; M48-I67 HydrophobicContact CG-CD1 4.02Å; M48-I67 HydrophobicContact SD-CD1 3.92Å; V60-I67 HydrophobicContact CG1-CG2 3.99Å; F64-I67 HydrophobicContact CB-CB 3.9Å; F64-I67 WeakPolarHBondContact O-CB 3.41Å; F64-I67 WeakPolarHBondContact O-CG2 3.43Å; F64-I67 PolarHBondContact O-N 3.48Å; I67-Q69 VanDerWaalsContact C-N 3.27Å; I67-Q69 PolarHBondContact O-N 3.45Å; I67-L70 HydrophobicContact CD1-CD2 4.47Å; I67-L70 WeakPolarHBondContact O-CB 3.27Å; I67-L70 PolarHBondContact O-N 2.92Å; I67-L71 HydrophobicContact CD1-CG 4.38Å; I67-L71 HydrophobicContact CG1-CD1 4.19Å; I67-L71 HydrophobicContact CG1-CG 4.42Å; I67-L71 WeakPolarHBondContact O-CG 3.31Å; I67-L71 PolarHBondContact O-N 3.15Å; I67-L97 HydrophobicContact CG1-CD1 4.46Å; I67-L97 HydrophobicContact CG2-CD1 4.36Å |
| 68 | G | 88 | Confident | 85.9 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T66 A72 W113 | T66-G68 PolarHBondContact O-N 2.94Å; T66-G68 VanDerWaalsContact O-N 3.16Å; G68-A72 WeakPolarHBondContact O-CB 3.37Å; G68-A72 PolarHBondContact O-N 3.46Å; G68-W113 VanDerWaalsContact O-CH2 3.3Å; G68-W113 WeakPolarHBondContact O-CH2 3.27Å; G68-W113 WeakPolarHBondContact O-CZ2 3.42Å |
| 69 | Q | 90.3 | Very high | 85.8 | Confident | 111 Ų | 111 | 44.4 Ų | 44.4 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.5 | -39.8 | 175.6 | -60 | 177.7 | -7 | 0 | 0 | 111.7 | M16 T66 I67 A72 K73 | M16-Q69 HydrophobicContact CE-CB 4.03Å; T66-Q69 WeakPolarHBondContact O-CA 3.28Å; T66-Q69 VanDerWaalsContact O-CB 3.29Å; T66-Q69 WeakPolarHBondContact O-CB 3.32Å; T66-Q69 PolarHBondContact O-N 2.95Å; I67-Q69 VanDerWaalsContact C-N 3.27Å; I67-Q69 PolarHBondContact O-N 3.45Å; Q69-A72 PolarHBondContact O-N 3.38Å; Q69-K73 WeakPolarHBondContact O-CB 3.4Å; Q69-K73 WeakPolarHBondContact O-CG 3.47Å; Q69-K73 PolarHBondContact O-N 2.95Å |
| 70 | L | 92.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -54.4 | 175.2 | -173.3 | 138.8 | 0 | 0 | 0 | 110.4 | Y12 M16 L19 F44 L45 T66 I67 A72 K73 A74 | Y12-L70 HydrophobicContact CD2-CD1 3.89Å; Y12-L70 HydrophobicContact CE2-CB 4.38Å; Y12-L70 HydrophobicContact CE2-CD1 3.71Å; M16-L70 HydrophobicContact CG-CD1 3.93Å; M16-L70 VanDerWaalsContact SD-CA 3.5Å; M16-L70 HydrophobicContact SD-CB 3.41Å; M16-L70 WeakPolarHBondContact SD-CB 3.34Å; M16-L70 HydrophobicContact SD-CD1 3.83Å; M16-L70 HydrophobicContact SD-CG 3.93Å; L19-L70 HydrophobicContact CD1-CD1 4.32Å; L19-L70 HydrophobicContact CD1-CD2 4.45Å; L19-L70 HydrophobicContact CD1-CG 3.76Å; F44-L70 HydrophobicContact CE1-CD1 3.78Å; F44-L70 HydrophobicContact CE1-CD2 4.06Å; F44-L70 HydrophobicContact CZ-CD1 3.78Å; L45-L70 HydrophobicContact CD2-CD2 4.33Å; T66-L70 PolarHBondContact O-N 3.34Å; I67-L70 HydrophobicContact CD1-CD2 4.47Å; I67-L70 WeakPolarHBondContact O-CB 3.27Å; I67-L70 PolarHBondContact O-N 2.92Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.23Å; L70-K73 PolarHBondContact O-N 2.9Å; L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.49Å |
| 71 | L | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | -179.5 | -65.2 | 176.8 | 0 | 0 | 0 | 111 | L45 I67 A74 C75 L90 C93 L94 L97 | L45-L71 HydrophobicContact CD2-CD2 4.48Å; I67-L71 HydrophobicContact CD1-CG 4.38Å; I67-L71 HydrophobicContact CG1-CD1 4.19Å; I67-L71 HydrophobicContact CG1-CG 4.42Å; I67-L71 WeakPolarHBondContact O-CG 3.31Å; I67-L71 PolarHBondContact O-N 3.15Å; L71-A74 PolarHBondContact O-N 3.44Å; L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.4Å; L71-C75 PolarHBondContact O-N 2.91Å; L71-C75 PolarHBondContact O-SG 2.89Å; L71-L90 HydrophobicContact CD2-CD2 3.84Å; L71-C93 HydrophobicContact CD1-CB 4.06Å; L71-C93 HydrophobicContact CD2-CB 3.74Å; L71-L94 HydrophobicContact CB-CD2 4.19Å; L71-L94 HydrophobicContact CD1-CD2 4.07Å; L71-L94 HydrophobicContact CD1-CG 4.44Å; L71-L97 HydrophobicContact CD1-CD1 3.58Å |
| 72 | A | 89.7 | Confident | 85 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.8 | -55.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G68 Q69 L70 A74 C75 W76 W113 | G68-A72 WeakPolarHBondContact O-CB 3.37Å; G68-A72 PolarHBondContact O-N 3.46Å; Q69-A72 PolarHBondContact O-N 3.38Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.23Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.13Å; A72-C75 CarbonylContact O-C 3.23Å; A72-C75 PolarHBondContact O-N 3.26Å; A72-C75 VanDerWaalsContact O-N 3.13Å; A72-W76 PolarHBondContact O-N 2.85Å; A72-W113 HydrophobicContact CB-CZ2 3.97Å |
| 73 | K | 90.9 | Very high | 84.4 | Confident | 43 Ų | 43 | 31 Ų | 31 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | -178 | -74.3 | 177.2 | 176.4 | -72.1 | 0 | 111.3 | L19 D23 Q69 L70 W76 N77 | L19-K73 HydrophobicContact CB-CB 4.08Å; L19-K73 HydrophobicContact CB-CD 4.17Å; L19-K73 HydrophobicContact CD1-CB 4.48Å; L19-K73 HydrophobicContact CD2-CB 4.47Å; D23-K73 IonicContact OD2-NZ 3.74Å; D23-K73 PolarHBondContact OD2-NZ 2.9Å; Q69-K73 WeakPolarHBondContact O-CB 3.4Å; Q69-K73 WeakPolarHBondContact O-CG 3.47Å; Q69-K73 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 2.9Å; K73-W76 PolarHBondContact O-N 2.89Å; K73-N77 PolarHBondContact O-N 2.85Å; K73-N77 VanDerWaalsContact O-N 3.12Å |
| 74 | A | 89.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L19 F41 L70 L71 A72 W76 N77 I80 L90 | L19-A74 HydrophobicContact CD2-CB 4.28Å; F41-A74 HydrophobicContact CE1-CB 3.96Å; F41-A74 HydrophobicContact CZ-CB 3.85Å; L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.49Å; L71-A74 PolarHBondContact O-N 3.44Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.13Å; A74-W76 VanDerWaalsContact C-N 3.26Å; A74-W76 PolarHBondContact O-N 3Å; A74-N77 PolarHBondContact O-N 3.13Å; A74-I80 HydrophobicContact CB-CD1 4.28Å; A74-L90 HydrophobicContact CB-CD1 4.24Å; A74-L90 HydrophobicContact CB-CD2 3.72Å |
| 75 | C | 87.2 | Confident | 83 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.6 | -16.5 | 179.7 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | L71 A72 L81 V117 H120 I121 | L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.4Å; L71-C75 PolarHBondContact O-N 2.91Å; L71-C75 PolarHBondContact O-SG 2.89Å; A72-C75 CarbonylContact O-C 3.23Å; A72-C75 PolarHBondContact O-N 3.26Å; A72-C75 VanDerWaalsContact O-N 3.13Å; C75-L81 VanDerWaalsContact O-CD1 3.26Å; C75-L81 WeakPolarHBondContact O-CD1 3.34Å; C75-V117 HydrophobicContact CB-CG1 3.62Å; C75-H120 PolarHBondContact O-CD2 3.37Å; C75-I121 HydrophobicContact CB-CD1 4.29Å; C75-I121 HydrophobicContact CB-CG1 4.22Å |
| 76 | W | 84.7 | Confident | 82.9 | Confident | 134 Ų | 134 | 28 Ų | 28 | 51% | 0.508 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -97.3 | -4.1 | 173 | -74.8 | 108.7 | 0 | 0 | 0 | 112.9 | A72 K73 A74 P78 H120 | A72-W76 PolarHBondContact O-N 2.85Å; K73-W76 PolarHBondContact O-N 2.89Å; A74-W76 VanDerWaalsContact C-N 3.26Å; A74-W76 PolarHBondContact O-N 3Å; W76-P78 WeakPolarHBondContact O-CD 3.34Å; W76-H120 AromaticContact CD2-CD2 3.79Å; W76-H120 AromaticContact CD2-NE2 3.93Å; W76-H120 AromaticContact CE2-CD2 3.96Å; W76-H120 AromaticContact CE3-CD2 3.61Å; W76-H120 AromaticContact CE3-CE1 3.93Å; W76-H120 AromaticContact CE3-NE2 3.28Å; W76-H120 VanDerWaalsContact CE3-NE2 3.28Å; W76-H120 HydrophobicContact CH2-CB 4.48Å; W76-H120 AromaticContact CH2-CD2 3.8Å; W76-H120 AromaticContact CH2-CE1 3.98Å; W76-H120 AromaticContact CH2-CG 3.73Å; W76-H120 AromaticContact CH2-ND1 3.81Å; W76-H120 AromaticContact CH2-NE2 3.94Å; W76-H120 HydrophobicContact CZ2-CB 4.46Å; W76-H120 AromaticContact CZ2-CD2 3.97Å; W76-H120 AromaticContact CZ3-CD2 3.63Å; W76-H120 AromaticContact CZ3-CE1 3.47Å; W76-H120 VanDerWaalsContact CZ3-CE1 3.47Å; W76-H120 WeakPolarHBondContact CZ3-CE1 3.42Å; W76-H120 AromaticContact CZ3-CG 3.92Å; W76-H120 AromaticContact CZ3-ND1 3.8Å; W76-H120 AromaticContact CZ3-NE2 3.31Å; W76-H120 VanDerWaalsContact CZ3-NE2 3.31Å; W76-H120 WeakPolarHBondContact CZ3-NE2 3.48Å |
| 77 | N | 81.3 | Confident | 82.4 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | trans | -90.6 | 107.9 | 173.9 | -171.5 | -36.9 | 0 | 0 | 0 | 110.4 | K73 A74 F79 I80 L81 | K73-N77 PolarHBondContact O-N 2.85Å; K73-N77 VanDerWaalsContact O-N 3.12Å; A74-N77 PolarHBondContact O-N 3.13Å; N77-F79 VanDerWaalsContact C-N 3.32Å; N77-F79 PolarHBondContact O-N 3.33Å; N77-F79 PolarHBondContact OD1-N 3.49Å; N77-I80 HydrophobicContact CB-CB 4.22Å; N77-I80 HydrophobicContact CB-CD1 3.8Å; N77-I80 HydrophobicContact CB-CG1 4Å; N77-I80 WeakPolarHBondContact O-CB 3.49Å; N77-I80 PolarHBondContact O-N 3.44Å; N77-I80 VanDerWaalsContact O-N 3.13Å; N77-I80 PolarHBondContact OD1-N 3.17Å; N77-L81 PolarHBondContact O-N 3.27Å; N77-L81 VanDerWaalsContact O-N 3.08Å | ||
| 78 | P | 74.6 | Confident | 82 | Confident | 18 Ų | 18 | 30 Ų | 30 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -28.7 | -178.1 | 23.8 | -34.8 | 0 | 0 | 0 | 114.3 | W76 I80 L81 A82 K129 E130 L133 | W76-P78 WeakPolarHBondContact O-CD 3.34Å; P78-I80 VanDerWaalsContact C-N 3.29Å; P78-I80 PolarHBondContact O-N 3.3Å; P78-L81 PolarHBondContact O-N 3.44Å; P78-A82 PolarHBondContact O-N 3.1Å; P78-K129 HydrophobicContact CB-CB 4.37Å; P78-E130 HydrophobicContact CB-CG 4.26Å; P78-E130 WeakPolarHBondContact O-CG 3.43Å; P78-L133 HydrophobicContact CB-CD1 3.51Å; P78-L133 HydrophobicContact CG-CD1 2.94Å; P78-L133 HydrophobicContact CG-CG 4.37Å |
| 79 | F | 74.8 | Confident | 81.9 | Confident | 16 Ų | 16 | 29 Ų | 29 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.6 | -29.3 | 175.4 | -69.5 | -85.8 | 0 | 0 | 0 | 112.2 | Q31 T34 N77 Y83 L133 P189 | Q31-F79 HydrophobicContact CB-CD2 4.49Å; Q31-F79 HydrophobicContact CB-CE1 4.21Å; Q31-F79 HydrophobicContact CB-CE2 3.79Å; Q31-F79 HydrophobicContact CB-CZ 3.61Å; Q31-F79 HydrophobicContact CG-CD2 4.32Å; Q31-F79 HydrophobicContact CG-CE2 3.37Å; Q31-F79 HydrophobicContact CG-CZ 3.51Å; T34-F79 HydrophobicContact CG2-CB 3.69Å; N77-F79 VanDerWaalsContact C-N 3.32Å; N77-F79 PolarHBondContact O-N 3.33Å; N77-F79 PolarHBondContact OD1-N 3.49Å; F79-Y83 WeakPolarHBondContact O-CD2 3.31Å; F79-Y83 VanDerWaalsContact O-CE2 3.31Å; F79-Y83 WeakPolarHBondContact O-CE2 3.15Å; F79-L133 HydrophobicContact CD2-CD1 4.05Å; F79-L133 HydrophobicContact CE2-CB 4.1Å; F79-L133 HydrophobicContact CE2-CD1 3.54Å; F79-L133 HydrophobicContact CE2-CD2 3.92Å; F79-L133 HydrophobicContact CE2-CG 4.09Å; F79-L133 HydrophobicContact CZ-CB 3.78Å; F79-L133 HydrophobicContact CZ-CD1 4.07Å; F79-L133 HydrophobicContact CZ-CD2 4.19Å; F79-L133 HydrophobicContact CZ-CG 4.26Å; F79-P189 HydrophobicContact CD1-CG 4.37Å |
| 80 | I | 82.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.8 | -44.7 | 171.9 | -63.9 | 176.6 | 0 | 0 | 0 | 109.3 | L19 W22 T34 F41 A74 N77 P78 A82 Y83 S86 L90 | L19-I80 HydrophobicContact CD2-CD1 3.64Å; W22-I80 HydrophobicContact CE3-CD1 3.96Å; W22-I80 HydrophobicContact CZ3-CD1 3.87Å; W22-I80 HydrophobicContact CZ3-CG1 4.42Å; T34-I80 HydrophobicContact CG2-CG1 4.11Å; F41-I80 HydrophobicContact CD1-CD1 3.94Å; F41-I80 HydrophobicContact CD1-CG1 4.41Å; F41-I80 HydrophobicContact CD1-CG2 4.31Å; F41-I80 HydrophobicContact CE1-CD1 3.65Å; F41-I80 HydrophobicContact CE1-CG1 4.44Å; F41-I80 HydrophobicContact CE1-CG2 4.02Å; F41-I80 HydrophobicContact CZ-CD1 4.43Å; A74-I80 HydrophobicContact CB-CD1 4.28Å; N77-I80 HydrophobicContact CB-CB 4.22Å; N77-I80 HydrophobicContact CB-CD1 3.8Å; N77-I80 HydrophobicContact CB-CG1 4Å; N77-I80 WeakPolarHBondContact O-CB 3.49Å; N77-I80 PolarHBondContact O-N 3.44Å; N77-I80 VanDerWaalsContact O-N 3.13Å; N77-I80 PolarHBondContact OD1-N 3.17Å; P78-I80 VanDerWaalsContact C-N 3.29Å; P78-I80 PolarHBondContact O-N 3.3Å; I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 PolarHBondContact O-N 3.01Å; I80-Y83 PolarHBondContact O-N 3.11Å; I80-S86 WeakPolarHBondContact O-CB 3.49Å; I80-S86 PolarHBondContact O-OG 3.4Å; I80-L90 HydrophobicContact CG2-CD1 3.94Å |
| 81 | L | 78.4 | Confident | 81.3 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -29.6 | 178.3 | -67.2 | -172.4 | 0 | 0 | 0 | 113 | C75 N77 P78 Y83 Q87 L90 I121 A124 E130 | C75-L81 VanDerWaalsContact O-CD1 3.26Å; C75-L81 WeakPolarHBondContact O-CD1 3.34Å; N77-L81 PolarHBondContact O-N 3.27Å; N77-L81 VanDerWaalsContact O-N 3.08Å; P78-L81 PolarHBondContact O-N 3.44Å; L81-Y83 PolarHBondContact O-N 3.24Å; L81-Q87 HydrophobicContact CB-CG 4.45Å; L81-Q87 HydrophobicContact CD2-CG 4.21Å; L81-Q87 WeakPolarHBondContact O-CG 3.29Å; L81-Q87 PolarHBondContact O-NE2 3.4Å; L81-L90 HydrophobicContact CD2-CD1 3.95Å; L81-I121 HydrophobicContact CD2-CG1 4.22Å; L81-I121 HydrophobicContact CD2-CG2 4.32Å; L81-A124 HydrophobicContact CD1-CB 4.03Å; L81-E130 WeakPolarHBondContact CB-OE1 3.39Å |
| 82 | A | 68.7 | Low | 81.2 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P78 I80 E130 P189 L190 | P78-A82 PolarHBondContact O-N 3.1Å; I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 PolarHBondContact O-N 3.01Å; A82-E130 VanDerWaalsContact CA-OE1 3.29Å; A82-E130 WeakPolarHBondContact CA-OE1 3.15Å; A82-E130 HydrophobicContact CB-CB 4.43Å; A82-E130 HydrophobicContact CB-CG 3.89Å; A82-E130 PolarHBondContact N-OE1 3.04Å; A82-P189 HydrophobicContact CB-CB 3.92Å; A82-L190 HydrophobicContact CB-CD2 4.21Å |
| 83 | Y | 70.9 | Confident | 81.2 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 14% | 0.137 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -88.1 | 114.1 | 174.7 | -62.9 | -94.7 | 0 | 0 | 0 | 111.3 | V38 F79 I80 L81 E85 S86 Q87 P189 | V38-Y83 HydrophobicContact CB-CE2 4.02Å; V38-Y83 HydrophobicContact CG1-CD2 4.34Å; V38-Y83 HydrophobicContact CG1-CE1 4.12Å; V38-Y83 HydrophobicContact CG1-CE2 3.54Å; V38-Y83 VanDerWaalsContact CG1-CZ 3.4Å; V38-Y83 WeakPolarHBondContact CG1-OH 3.44Å; V38-Y83 HydrophobicContact CG2-CD2 3.65Å; V38-Y83 HydrophobicContact CG2-CE2 3.57Å; V38-Y83 HydrophobicContact CG2-CG 4.38Å; F79-Y83 WeakPolarHBondContact O-CD2 3.31Å; F79-Y83 VanDerWaalsContact O-CE2 3.31Å; F79-Y83 WeakPolarHBondContact O-CE2 3.15Å; I80-Y83 PolarHBondContact O-N 3.11Å; L81-Y83 PolarHBondContact O-N 3.24Å; Y83-E85 PolarHBondContact O-N 2.98Å; Y83-E85 VanDerWaalsContact O-N 3.11Å; Y83-S86 WeakPolarHBondContact O-CB 3.36Å; Y83-S86 PolarHBondContact O-N 2.99Å; Y83-Q87 PolarHBondContact O-N 3.37Å; Y83-P189 HydrophobicContact CD2-CB 4.17Å; Y83-P189 HydrophobicContact CE1-CB 4.37Å; Y83-P189 HydrophobicContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact OH-CA 3.27Å; Y83-P189 WeakPolarHBondContact OH-CA 3.43Å; Y83-P189 WeakPolarHBondContact OH-CB 3.33Å; Y83-P189 WeakPolarHBondContact OH-CD 3.3Å |
| 84 | D | 67.2 | Low | 81 | Confident | 68 Ų | 68 | 28.4 Ų | 28.4 | 36% | 0.364 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -49.5 | -39 | 175.4 | 177.8 | 46 | 0 | 0 | 0 | 113 | Q87 K88 | D84-Q87 PolarHBondContact O-N 3.3Å; D84-K88 WeakPolarHBondContact O-CG 3.47Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact OD1-CE 3.29Å; D84-K88 WeakPolarHBondContact OD1-CE 3.29Å; D84-K88 IonicContact OD1-NZ 2.65Å; D84-K88 WeakPolarHBondContact OD2-CE 3.44Å; D84-K88 IonicContact OD2-NZ 3.65Å; D84-K88 PolarHBondContact OD2-NZ 2.98Å |
| 85 | E | 76.6 | Confident | 80.7 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 25% | 0.248 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 176.5 | -65.2 | -55.1 | 144.9 | 0 | 0 | 113 | Y83 Q87 K88 I89 K231 | Y83-E85 PolarHBondContact O-N 2.98Å; Y83-E85 VanDerWaalsContact O-N 3.11Å; E85-Q87 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.05Å; E85-K88 PolarHBondContact O-N 3.13Å; E85-K88 IonicContact OE1-NZ 3.26Å; E85-K88 PolarHBondContact OE1-NZ 3.47Å; E85-I89 WeakPolarHBondContact O-CD1 3.28Å; E85-I89 VanDerWaalsContact O-CG1 3.23Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.21Å; E85-K231 IonicContact OE1-NZ 3.63Å; E85-K231 PolarHBondContact OE1-NZ 3.36Å |
| 86 | S | 83 | Confident | 80.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175 | -62 | 0 | 0 | 0 | 0 | 110.6 | Q42 I80 Y83 K88 I89 L90 | Q42-S86 VanDerWaalsContact CG-OG 3.27Å; Q42-S86 WeakPolarHBondContact CG-OG 3.19Å; Q42-S86 PolarHBondContact NE2-OG 2.92Å; I80-S86 WeakPolarHBondContact O-CB 3.49Å; I80-S86 PolarHBondContact O-OG 3.4Å; Y83-S86 WeakPolarHBondContact O-CB 3.36Å; Y83-S86 PolarHBondContact O-N 2.99Å; S86-K88 PolarHBondContact O-N 3.24Å; S86-I89 PolarHBondContact O-N 2.96Å; S86-L90 WeakPolarHBondContact O-CB 3.37Å; S86-L90 WeakPolarHBondContact O-CG 3.33Å; S86-L90 PolarHBondContact O-N 2.91Å |
| 87 | Q | 79.4 | Confident | 80.6 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -49.3 | 177.7 | -60.5 | -177.6 | 2.5 | 0 | 0 | 111.1 | L81 Y83 D84 E85 I89 L90 I91 I121 | L81-Q87 HydrophobicContact CB-CG 4.45Å; L81-Q87 HydrophobicContact CD2-CG 4.21Å; L81-Q87 WeakPolarHBondContact O-CG 3.29Å; L81-Q87 PolarHBondContact O-NE2 3.4Å; Y83-Q87 PolarHBondContact O-N 3.37Å; D84-Q87 PolarHBondContact O-N 3.3Å; E85-Q87 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.05Å; Q87-I89 PolarHBondContact O-N 3.46Å; Q87-L90 PolarHBondContact O-N 3.13Å; Q87-I91 WeakPolarHBondContact O-CB 3.38Å; Q87-I91 VanDerWaalsContact O-CG1 3.25Å; Q87-I91 WeakPolarHBondContact O-CG1 3.22Å; Q87-I91 PolarHBondContact O-N 3.41Å; Q87-I121 HydrophobicContact CB-CG2 4.45Å |
| 88 | K | 80.5 | Confident | 80.6 | Confident | 73 Ų | 73 | 30.3 Ų | 30.3 | 32% | 0.317 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 178.7 | -72.7 | 171.8 | -168.6 | 160 | 0 | 111.8 | D84 E85 S86 L90 I91 W92 | D84-K88 WeakPolarHBondContact O-CG 3.47Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact OD1-CE 3.29Å; D84-K88 WeakPolarHBondContact OD1-CE 3.29Å; D84-K88 IonicContact OD1-NZ 2.65Å; D84-K88 WeakPolarHBondContact OD2-CE 3.44Å; D84-K88 IonicContact OD2-NZ 3.65Å; D84-K88 PolarHBondContact OD2-NZ 2.98Å; E85-K88 PolarHBondContact O-N 3.13Å; E85-K88 IonicContact OE1-NZ 3.26Å; E85-K88 PolarHBondContact OE1-NZ 3.47Å; S86-K88 PolarHBondContact O-N 3.24Å; K88-L90 PolarHBondContact O-N 2.73Å; K88-I91 PolarHBondContact O-N 3.44Å; K88-W92 HydrophobicContact CB-CZ2 4.43Å; K88-W92 PolarHBondContact O-N 3.16Å |
| 89 | I | 84.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | -178.4 | -57.9 | 157 | 0 | 0 | 0 | 110.5 | L45 R46 E85 S86 Q87 I91 W92 C93 | L45-I89 HydrophobicContact CB-CB 4.45Å; L45-I89 HydrophobicContact CB-CG2 3.65Å; L45-I89 WeakPolarHBondContact O-CG2 3.41Å; R46-I89 HydrophobicContact CG-CD1 3.56Å; R46-I89 HydrophobicContact CG-CG1 4.16Å; E85-I89 WeakPolarHBondContact O-CD1 3.28Å; E85-I89 VanDerWaalsContact O-CG1 3.23Å; E85-I89 WeakPolarHBondContact O-CG1 3.44Å; E85-I89 PolarHBondContact O-N 3.21Å; S86-I89 PolarHBondContact O-N 2.96Å; Q87-I89 PolarHBondContact O-N 3.46Å; I89-I91 PolarHBondContact O-N 3.03Å; I89-W92 HydrophobicContact CG1-CE3 4.45Å; I89-W92 HydrophobicContact CG1-CZ3 4.49Å; I89-W92 PolarHBondContact O-N 3.11Å; I89-C93 PolarHBondContact O-N 2.92Å; I89-C93 PolarHBondContact O-SG 3.48Å; I89-C93 VanDerWaalsContact O-SG 3.37Å |
| 90 | L | 89.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.8 | -74.1 | 171 | 0 | 0 | 0 | 111.9 | L45 L71 A74 I80 L81 S86 Q87 K88 W92 C93 L94 I121 | L45-L90 HydrophobicContact CD1-CD2 3.89Å; L45-L90 HydrophobicContact CD1-CG 4Å; L45-L90 HydrophobicContact CD2-CD2 3.92Å; L71-L90 HydrophobicContact CD2-CD2 3.84Å; A74-L90 HydrophobicContact CB-CD1 4.24Å; A74-L90 HydrophobicContact CB-CD2 3.72Å; I80-L90 HydrophobicContact CG2-CD1 3.94Å; L81-L90 HydrophobicContact CD2-CD1 3.95Å; S86-L90 WeakPolarHBondContact O-CB 3.37Å; S86-L90 WeakPolarHBondContact O-CG 3.33Å; S86-L90 PolarHBondContact O-N 2.91Å; Q87-L90 PolarHBondContact O-N 3.13Å; K88-L90 PolarHBondContact O-N 2.73Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 2.92Å; L90-C93 PolarHBondContact O-N 3.22Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.15Å; L90-I121 HydrophobicContact CB-CD1 4.43Å |
| 91 | I | 82.5 | Confident | 80.3 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 174.1 | -70.7 | 165.5 | 0 | 0 | 0 | 110 | Q87 K88 I89 L94 C95 L118 I121 | Q87-I91 WeakPolarHBondContact O-CB 3.38Å; Q87-I91 VanDerWaalsContact O-CG1 3.25Å; Q87-I91 WeakPolarHBondContact O-CG1 3.22Å; Q87-I91 PolarHBondContact O-N 3.41Å; K88-I91 PolarHBondContact O-N 3.44Å; I89-I91 PolarHBondContact O-N 3.03Å; I91-L94 PolarHBondContact O-N 2.92Å; I91-C95 WeakPolarHBondContact O-CB 3.49Å; I91-C95 PolarHBondContact O-N 3.18Å; I91-C95 PolarHBondContact O-SG 3.35Å; I91-L118 HydrophobicContact CB-CD2 4.23Å; I91-L118 HydrophobicContact CG1-CD2 4.02Å; I91-L118 HydrophobicContact CG2-CD2 4Å; I91-I121 HydrophobicContact CD1-CG2 4.1Å; I91-I121 HydrophobicContact CG1-CD1 4.11Å; I91-I121 HydrophobicContact CG1-CG2 4.23Å |
| 92 | W | 88.4 | Confident | 80 | Confident | 119 Ų | 119 | 49 Ų | 49 | 45% | 0.451 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 178.1 | -63.8 | -19.3 | 0 | 0 | 0 | 112.7 | Y49 K88 I89 L90 L94 C95 C96 | Y49-W92 HydrophobicContact CD1-CE3 4.26Å; Y49-W92 HydrophobicContact CD2-CB 3.65Å; Y49-W92 HydrophobicContact CE1-CE3 4.08Å; Y49-W92 HydrophobicContact CE2-CB 3.57Å; Y49-W92 HydrophobicContact CE2-CG 4.36Å; Y49-W92 HydrophobicContact CG-CB 4.31Å; K88-W92 HydrophobicContact CB-CZ2 4.43Å; K88-W92 PolarHBondContact O-N 3.16Å; I89-W92 HydrophobicContact CG1-CE3 4.45Å; I89-W92 HydrophobicContact CG1-CZ3 4.49Å; I89-W92 PolarHBondContact O-N 3.11Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 2.92Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 2.71Å; W92-C95 WeakPolarHBondContact O-CB 3.46Å; W92-C95 PolarHBondContact O-N 2.93Å; W92-C95 VanDerWaalsContact O-N 3.17Å; W92-C96 PolarHBondContact O-N 3.32Å; W92-C96 PolarHBondContact O-SG 3.48Å; W92-C96 VanDerWaalsContact O-SG 3.37Å |
| 93 | C | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 174.4 | -73.2 | 0 | 0 | 0 | 0 | 111.8 | L52 L71 I89 L90 C96 | L52-C93 HydrophobicContact CD1-CB 4.11Å; L71-C93 HydrophobicContact CD1-CB 4.06Å; L71-C93 HydrophobicContact CD2-CB 3.74Å; I89-C93 PolarHBondContact O-N 2.92Å; I89-C93 PolarHBondContact O-SG 3.48Å; I89-C93 VanDerWaalsContact O-SG 3.37Å; L90-C93 PolarHBondContact O-N 3.22Å; C93-C96 WeakPolarHBondContact O-CB 3.25Å; C93-C96 PolarHBondContact O-N 2.99Å |
| 94 | L | 87.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 177 | -75.3 | 169.7 | 0 | 0 | 0 | 111.6 | L71 L90 I91 W92 C96 L97 W113 I114 V117 L118 I121 | L71-L94 HydrophobicContact CB-CD2 4.19Å; L71-L94 HydrophobicContact CD1-CD2 4.07Å; L71-L94 HydrophobicContact CD1-CG 4.44Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.15Å; I91-L94 PolarHBondContact O-N 2.92Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 2.71Å; L94-C96 VanDerWaalsContact C-N 3.31Å; L94-C96 PolarHBondContact O-N 2.91Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-W113 HydrophobicContact CD2-CH2 4.41Å; L94-W113 HydrophobicContact CD2-CZ3 4.4Å; L94-I114 HydrophobicContact CB-CG2 4.04Å; L94-I114 HydrophobicContact CD2-CG2 4.42Å; L94-V117 HydrophobicContact CD1-CB 4.28Å; L94-V117 HydrophobicContact CD1-CG1 3.61Å; L94-V117 HydrophobicContact CD2-CB 4.46Å; L94-V117 HydrophobicContact CD2-CG1 4.18Å; L94-L118 HydrophobicContact CB-CD2 4.02Å; L94-L118 HydrophobicContact CB-CG 4.39Å; L94-L118 HydrophobicContact CD1-CD2 3.8Å; L94-L118 HydrophobicContact CD1-CG 4.23Å; L94-I121 HydrophobicContact CD1-CD1 3.68Å |
| 95 | C | 84.6 | Confident | 81.5 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 177 | -75.2 | 0 | 0 | 0 | 0 | 112.8 | I91 W92 L97 I98 | I91-C95 WeakPolarHBondContact O-CB 3.49Å; I91-C95 PolarHBondContact O-N 3.18Å; I91-C95 PolarHBondContact O-SG 3.35Å; W92-C95 WeakPolarHBondContact O-CB 3.46Å; W92-C95 PolarHBondContact O-N 2.93Å; W92-C95 VanDerWaalsContact O-N 3.17Å; C95-L97 PolarHBondContact O-N 2.89Å; C95-I98 PolarHBondContact O-N 2.97Å |
| 96 | C | 85.2 | Confident | 81.7 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -25.5 | 174.7 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | L52 W92 C93 L94 | L52-C96 HydrophobicContact CB-CB 3.89Å; W92-C96 PolarHBondContact O-N 3.32Å; W92-C96 PolarHBondContact O-SG 3.48Å; W92-C96 VanDerWaalsContact O-SG 3.37Å; C93-C96 WeakPolarHBondContact O-CB 3.25Å; C93-C96 PolarHBondContact O-N 2.99Å; L94-C96 VanDerWaalsContact C-N 3.31Å; L94-C96 PolarHBondContact O-N 2.91Å |
| 97 | L | 84.1 | Confident | 81.4 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.1 | -179.2 | -59.6 | 179.1 | 0 | 0 | 0 | 113.5 | L52 V60 I67 L71 L94 C95 N99 I114 | L52-L97 HydrophobicContact CD2-CD2 4.1Å; V60-L97 HydrophobicContact CG1-CD2 3.81Å; I67-L97 HydrophobicContact CG1-CD1 4.46Å; I67-L97 HydrophobicContact CG2-CD1 4.36Å; L71-L97 HydrophobicContact CD1-CD1 3.58Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.13Å; C95-L97 PolarHBondContact O-N 2.89Å; L97-N99 PolarHBondContact O-N 3.22Å; L97-I114 HydrophobicContact CB-CD1 3.6Å |
| 98 | I | 81.1 | Confident | 81.3 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 30% | 0.303 | 33% | 0.332 | S | S | . | . | trans | -74.8 | 120.1 | 179.8 | -60.2 | 178.6 | 0 | 0 | 0 | 109.5 | C95 K100 I114 L118 | C95-I98 PolarHBondContact O-N 2.97Å; I98-K100 PolarHBondContact O-N 3.29Å; I98-I114 HydrophobicContact CD1-CG2 3.83Å; I98-I114 HydrophobicContact CG1-CB 4.28Å; I98-I114 HydrophobicContact CG1-CD1 3.86Å; I98-I114 HydrophobicContact CG1-CG2 3.66Å; I98-L118 HydrophobicContact CD1-CD1 4.27Å | ||
| 99 | N | 76.2 | Confident | 81.5 | Confident | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.16 | 35% | 0.347 | C | S | . | . | trans | -81.4 | 117.2 | 172.3 | -82.2 | -85.4 | 0 | 0 | 0 | 109.7 | S57 L97 E101 Q107 N111 | S57-N99 PolarHBondContact OG-ND2 3.01Å; S57-N99 PolarHBondContact OG-OD1 2.95Å; L97-N99 PolarHBondContact O-N 3.22Å; N99-E101 PolarHBondContact O-N 2.94Å; N99-Q107 HydrophobicContact CB-CB 4.42Å; N99-N111 PolarHBondContact N-OD1 3.43Å; N99-N111 PolarHBondContact O-ND2 2.89Å | ||
| 100 | K | 73.3 | Confident | 81.4 | Confident | 204 Ų | 204 | 68.7 Ų | 68.7 | 89% | 0.887 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -60.6 | -33 | -179 | -69 | -177.1 | 179.9 | 176.6 | 0 | 113 | I98 | I98-K100 PolarHBondContact O-N 3.29Š|
| 101 | E | 75.9 | Confident | 81.1 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 68% | 0.682 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -129.3 | 85.1 | 179.1 | -66.7 | -179.7 | -174 | 0 | 0 | 109.3 | N99 Q103 | N99-E101 PolarHBondContact O-N 2.94Å; E101-Q103 PolarHBondContact O-N 3.32Å; E101-Q103 VanDerWaalsContact O-N 3.08Å |
| 102 | P | 72.9 | Confident | 81.2 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 34% | 0.338 | 38% | 0.377 | S | S | . | . | trans | -68 | 110.3 | -179.4 | 27.9 | -33.2 | 0 | 0 | 0 | 110.1 | Q107 S108 | P102-Q107 HydrophobicContact CB-CB 3.63Å; P102-S108 WeakPolarHBondContact CB-OG 3.39Å | ||
| 103 | Q | 76.8 | Confident | 81.2 | Confident | 149 Ų | 149 | 69.3 Ų | 69.3 | 70% | 0.696 | 37% | 0.372 | S | S | * | . | trans | -83 | -15 | -177.6 | -61.7 | -62.5 | -26.3 | 0 | 0 | 112.9 | E101 | E101-Q103 PolarHBondContact O-N 3.32Å; E101-Q103 VanDerWaalsContact O-N 3.08Å | ||
| 104 | N | 80.6 | Confident | 81 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 47% | 0.465 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -140.1 | 162.9 | -179.1 | 65.5 | 51.6 | 0 | 0 | 0 | 112.2 | G106 Q107 S108 | N104-G106 PolarHBondContact O-N 3.13Å; N104-G106 WeakPolarHBondContact OD1-CA 3.45Å; N104-G106 PolarHBondContact OD1-N 3.34Å; N104-Q107 PolarHBondContact O-N 3.3Å; N104-Q107 PolarHBondContact OD1-N 2.86Å; N104-S108 PolarHBondContact O-N 3.18Å |
| 105 | S | 80.4 | Confident | 80.6 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.4 | -25 | -179.7 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | K109 | S105-K109 WeakPolarHBondContact O-CB 3.31Å; S105-K109 VanDerWaalsContact O-CG 3.26Å; S105-K109 WeakPolarHBondContact O-CG 3.2Å; S105-K109 PolarHBondContact O-N 3.1Å; S105-K109 VanDerWaalsContact O-N 3.07Å |
| 106 | G | 80.1 | Confident | 80.6 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.7 | -47.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N104 K109 L110 | N104-G106 PolarHBondContact O-N 3.13Å; N104-G106 WeakPolarHBondContact OD1-CA 3.45Å; N104-G106 PolarHBondContact OD1-N 3.34Å; G106-K109 PolarHBondContact O-N 3.44Å; G106-L110 PolarHBondContact O-N 3.4Å |
| 107 | Q | 77.7 | Confident | 80.7 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.6 | -72.3 | 174.5 | -19.2 | 0 | 0 | 111.8 | N99 P102 N104 L110 N111 | N99-Q107 HydrophobicContact CB-CB 4.42Å; P102-Q107 HydrophobicContact CB-CB 3.63Å; N104-Q107 PolarHBondContact O-N 3.3Å; N104-Q107 PolarHBondContact OD1-N 2.86Å; Q107-L110 PolarHBondContact O-N 2.75Å; Q107-N111 PolarHBondContact O-N 2.99Å |
| 108 | S | 76.9 | Confident | 80.5 | Confident | 58 Ų | 58 | 73 Ų | 73 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 174.2 | -62 | 0 | 0 | 0 | 0 | 112.4 | P102 N104 N111 S112 | P102-S108 WeakPolarHBondContact CB-OG 3.39Å; N104-S108 PolarHBondContact O-N 3.18Å; S108-N111 PolarHBondContact O-N 3.47Å; S108-S112 WeakPolarHBondContact O-CB 3.35Å; S108-S112 PolarHBondContact O-N 2.9Å; S108-S112 PolarHBondContact O-OG 2.92Å |
| 109 | K | 84.5 | Confident | 80.1 | Confident | 146 Ų | 146 | 73.7 Ų | 73.7 | 64% | 0.635 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 174.1 | -78 | 176.3 | -176.4 | -177.5 | 0 | 111.5 | S105 G106 S112 W113 | S105-K109 WeakPolarHBondContact O-CB 3.31Å; S105-K109 VanDerWaalsContact O-CG 3.26Å; S105-K109 WeakPolarHBondContact O-CG 3.2Å; S105-K109 PolarHBondContact O-N 3.1Å; S105-K109 VanDerWaalsContact O-N 3.07Å; G106-K109 PolarHBondContact O-N 3.44Å; K109-S112 WeakPolarHBondContact CA-OG 3.32Å; K109-S112 PolarHBondContact O-N 3.27Å; K109-S112 PolarHBondContact O-OG 2.84Å; K109-W113 WeakPolarHBondContact O-CB 3.49Å; K109-W113 PolarHBondContact O-N 3.16Å |
| 110 | L | 82.6 | Confident | 80.3 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 176 | -178.5 | 65.3 | 0 | 0 | 0 | 111.2 | G106 Q107 S112 W113 I114 | G106-L110 PolarHBondContact O-N 3.4Å; Q107-L110 PolarHBondContact O-N 2.75Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.37Å; L110-W113 HydrophobicContact CD1-CE3 3.87Å; L110-W113 HydrophobicContact CD1-CZ3 4.29Å; L110-W113 WeakPolarHBondContact O-CB 3.29Å; L110-W113 PolarHBondContact O-N 3.42Å; L110-W113 VanDerWaalsContact O-N 3.12Å; L110-I114 HydrophobicContact CD1-CD1 4.36Å; L110-I114 HydrophobicContact CD1-CG1 4.49Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CG1 3.23Å; L110-I114 PolarHBondContact O-N 3.16Å |
| 111 | N | 82.7 | Confident | 80.4 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 176.3 | -75.3 | 2.7 | 0 | 0 | 0 | 111.9 | N99 Q107 S108 W113 I114 Q115 | N99-N111 PolarHBondContact N-OD1 3.43Å; N99-N111 PolarHBondContact O-ND2 2.89Å; Q107-N111 PolarHBondContact O-N 2.99Å; S108-N111 PolarHBondContact O-N 3.47Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-W113 PolarHBondContact O-N 3.08Å; N111-I114 PolarHBondContact O-N 2.88Å; N111-Q115 WeakPolarHBondContact O-CB 3.28Å; N111-Q115 VanDerWaalsContact O-CG 3.31Å; N111-Q115 WeakPolarHBondContact O-CG 3.5Å; N111-Q115 PolarHBondContact O-N 3.32Å |
| 112 | S | 84 | Confident | 80 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 47% | 0.469 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.1 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | S108 K109 L110 Q115 G116 | S108-S112 WeakPolarHBondContact O-CB 3.35Å; S108-S112 PolarHBondContact O-N 2.9Å; S108-S112 PolarHBondContact O-OG 2.92Å; K109-S112 WeakPolarHBondContact CA-OG 3.32Å; K109-S112 PolarHBondContact O-N 3.27Å; K109-S112 PolarHBondContact O-OG 2.84Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.37Å; S112-Q115 PolarHBondContact O-N 3.18Å; S112-G116 PolarHBondContact O-N 3.09Å |
| 113 | W | 89.6 | Confident | 79.8 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 175.1 | 171.2 | 80 | 0 | 0 | 0 | 110.9 | G68 A72 L94 K109 L110 N111 Q115 G116 V117 | G68-W113 VanDerWaalsContact O-CH2 3.3Å; G68-W113 WeakPolarHBondContact O-CH2 3.27Å; G68-W113 WeakPolarHBondContact O-CZ2 3.42Å; A72-W113 HydrophobicContact CB-CZ2 3.97Å; L94-W113 HydrophobicContact CD2-CH2 4.41Å; L94-W113 HydrophobicContact CD2-CZ3 4.4Å; K109-W113 WeakPolarHBondContact O-CB 3.49Å; K109-W113 PolarHBondContact O-N 3.16Å; L110-W113 HydrophobicContact CD1-CE3 3.87Å; L110-W113 HydrophobicContact CD1-CZ3 4.29Å; L110-W113 WeakPolarHBondContact O-CB 3.29Å; L110-W113 PolarHBondContact O-N 3.42Å; L110-W113 VanDerWaalsContact O-N 3.12Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-W113 PolarHBondContact O-N 3.08Å; W113-Q115 VanDerWaalsContact C-N 3.33Å; W113-Q115 PolarHBondContact O-N 3.32Å; W113-G116 WeakPolarHBondContact O-CA 3.4Å; W113-G116 PolarHBondContact O-N 2.66Å; W113-G116 VanDerWaalsContact O-N 3.08Å; W113-V117 HydrophobicContact CD2-CG2 4.24Å; W113-V117 HydrophobicContact CH2-CG2 4.29Å; W113-V117 HydrophobicContact CZ2-CG2 3.72Å; W113-V117 WeakPolarHBondContact O-CG2 3.41Å; W113-V117 PolarHBondContact O-N 3.22Å |
| 114 | I | 83.8 | Confident | 79 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 175.6 | -66.8 | 166.2 | 0 | 0 | 0 | 110.6 | L94 L97 I98 L110 N111 G116 V117 L118 | L94-I114 HydrophobicContact CB-CG2 4.04Å; L94-I114 HydrophobicContact CD2-CG2 4.42Å; L97-I114 HydrophobicContact CB-CD1 3.6Å; I98-I114 HydrophobicContact CD1-CG2 3.83Å; I98-I114 HydrophobicContact CG1-CB 4.28Å; I98-I114 HydrophobicContact CG1-CD1 3.86Å; I98-I114 HydrophobicContact CG1-CG2 3.66Å; L110-I114 HydrophobicContact CD1-CD1 4.36Å; L110-I114 HydrophobicContact CD1-CG1 4.49Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CG1 3.23Å; L110-I114 PolarHBondContact O-N 3.16Å; N111-I114 PolarHBondContact O-N 2.88Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 2.94Å; I114-V117 PolarHBondContact O-N 3.31Å; I114-V117 VanDerWaalsContact O-N 3.16Å; I114-L118 HydrophobicContact CG2-CD1 3.87Å; I114-L118 HydrophobicContact CG2-CG 4.17Å; I114-L118 WeakPolarHBondContact O-CB 3.41Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; I114-L118 PolarHBondContact O-N 3.4Å |
| 115 | Q | 80.7 | Confident | 77.7 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.4 | -39.3 | 175.7 | -75 | 175.6 | -8 | 0 | 0 | 112 | N111 S112 W113 S119 | N111-Q115 WeakPolarHBondContact O-CB 3.28Å; N111-Q115 VanDerWaalsContact O-CG 3.31Å; N111-Q115 WeakPolarHBondContact O-CG 3.5Å; N111-Q115 PolarHBondContact O-N 3.32Å; S112-Q115 PolarHBondContact O-N 3.18Å; W113-Q115 VanDerWaalsContact C-N 3.33Å; W113-Q115 PolarHBondContact O-N 3.32Å; Q115-S119 WeakPolarHBondContact O-CB 3.4Å; Q115-S119 PolarHBondContact O-N 3.05Å |
| 116 | G | 84 | Confident | 76.3 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | S112 W113 I114 S119 H120 | S112-G116 PolarHBondContact O-N 3.09Å; W113-G116 WeakPolarHBondContact O-CA 3.4Å; W113-G116 PolarHBondContact O-N 2.66Å; W113-G116 VanDerWaalsContact O-N 3.08Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 2.94Å; G116-S119 PolarHBondContact O-N 3.45Å; G116-H120 PolarHBondContact O-N 3.49Å |
| 117 | V | 85.8 | Confident | 75 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | C75 L94 W113 I114 S119 H120 I121 | C75-V117 HydrophobicContact CB-CG1 3.62Å; L94-V117 HydrophobicContact CD1-CB 4.28Å; L94-V117 HydrophobicContact CD1-CG1 3.61Å; L94-V117 HydrophobicContact CD2-CB 4.46Å; L94-V117 HydrophobicContact CD2-CG1 4.18Å; W113-V117 HydrophobicContact CD2-CG2 4.24Å; W113-V117 HydrophobicContact CH2-CG2 4.29Å; W113-V117 HydrophobicContact CZ2-CG2 3.72Å; W113-V117 WeakPolarHBondContact O-CG2 3.41Å; W113-V117 PolarHBondContact O-N 3.22Å; I114-V117 PolarHBondContact O-N 3.31Å; I114-V117 VanDerWaalsContact O-N 3.16Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.2Å; V117-H120 WeakPolarHBondContact O-CA 3.29Å; V117-H120 VanDerWaalsContact O-CB 3.29Å; V117-H120 WeakPolarHBondContact O-CB 3.22Å; V117-H120 PolarHBondContact O-N 3.35Å; V117-I121 HydrophobicContact CG1-CD1 4.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.44Å; V117-I121 PolarHBondContact O-N 3.33Å |
| 118 | L | 79.9 | Confident | 73.8 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 175 | -73 | 173.7 | 0 | 0 | 0 | 111 | I91 L94 I98 I114 H120 I121 L122 | I91-L118 HydrophobicContact CB-CD2 4.23Å; I91-L118 HydrophobicContact CG1-CD2 4.02Å; I91-L118 HydrophobicContact CG2-CD2 4Å; L94-L118 HydrophobicContact CB-CD2 4.02Å; L94-L118 HydrophobicContact CB-CG 4.39Å; L94-L118 HydrophobicContact CD1-CD2 3.8Å; L94-L118 HydrophobicContact CD1-CG 4.23Å; I98-L118 HydrophobicContact CD1-CD1 4.27Å; I114-L118 HydrophobicContact CG2-CD1 3.87Å; I114-L118 HydrophobicContact CG2-CG 4.17Å; I114-L118 WeakPolarHBondContact O-CB 3.41Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; I114-L118 PolarHBondContact O-N 3.4Å; L118-H120 PolarHBondContact O-N 3.19Å; L118-I121 PolarHBondContact O-N 3.02Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3.41Å |
| 119 | S | 74.5 | Confident | 72.6 | Confident | 73 Ų | 73 | 67 Ų | 67 | 51% | 0.51 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 172.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | Q115 G116 V117 S123 | Q115-S119 WeakPolarHBondContact O-CB 3.4Å; Q115-S119 PolarHBondContact O-N 3.05Å; G116-S119 PolarHBondContact O-N 3.45Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.2Å; S119-S123 WeakPolarHBondContact O-CB 3.3Å; S119-S123 PolarHBondContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 3.48Å |
| 120 | H | 79.7 | Confident | 71.1 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -51.9 | 174.7 | -177.8 | 43.9 | 0 | 0 | 0 | 111.2 | C75 W76 G116 V117 L118 L122 S123 A124 K129 | C75-H120 PolarHBondContact O-CD2 3.37Å; W76-H120 AromaticContact CD2-CD2 3.79Å; W76-H120 AromaticContact CD2-NE2 3.93Å; W76-H120 AromaticContact CE2-CD2 3.96Å; W76-H120 AromaticContact CE3-CD2 3.61Å; W76-H120 AromaticContact CE3-CE1 3.93Å; W76-H120 AromaticContact CE3-NE2 3.28Å; W76-H120 VanDerWaalsContact CE3-NE2 3.28Å; W76-H120 HydrophobicContact CH2-CB 4.48Å; W76-H120 AromaticContact CH2-CD2 3.8Å; W76-H120 AromaticContact CH2-CE1 3.98Å; W76-H120 AromaticContact CH2-CG 3.73Å; W76-H120 AromaticContact CH2-ND1 3.81Å; W76-H120 AromaticContact CH2-NE2 3.94Å; W76-H120 HydrophobicContact CZ2-CB 4.46Å; W76-H120 AromaticContact CZ2-CD2 3.97Å; W76-H120 AromaticContact CZ3-CD2 3.63Å; W76-H120 AromaticContact CZ3-CE1 3.47Å; W76-H120 VanDerWaalsContact CZ3-CE1 3.47Å; W76-H120 WeakPolarHBondContact CZ3-CE1 3.42Å; W76-H120 AromaticContact CZ3-CG 3.92Å; W76-H120 AromaticContact CZ3-ND1 3.8Å; W76-H120 AromaticContact CZ3-NE2 3.31Å; W76-H120 VanDerWaalsContact CZ3-NE2 3.31Å; W76-H120 WeakPolarHBondContact CZ3-NE2 3.48Å; G116-H120 PolarHBondContact O-N 3.49Å; V117-H120 WeakPolarHBondContact O-CA 3.29Å; V117-H120 VanDerWaalsContact O-CB 3.29Å; V117-H120 WeakPolarHBondContact O-CB 3.22Å; V117-H120 PolarHBondContact O-N 3.35Å; L118-H120 PolarHBondContact O-N 3.19Å; H120-L122 VanDerWaalsContact C-N 3.33Å; H120-L122 PolarHBondContact O-N 3.03Å; H120-S123 WeakPolarHBondContact CA-OG 3.41Å; H120-S123 CarbonylContact O-C 3.49Å; H120-S123 PolarHBondContact O-N 3.3Å; H120-S123 VanDerWaalsContact O-N 3.11Å; H120-S123 PolarHBondContact O-OG 2.97Å; H120-A124 WeakPolarHBondContact O-CB 3.48Å; H120-A124 PolarHBondContact O-N 3.33Å; H120-K129 PolarHBondContact CE1-NZ 3.11Å; H120-K129 VanDerWaalsContact CE1-NZ 3.27Å |
| 121 | I | 75 | Confident | 69.7 | Low | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 177.7 | -60 | 169.2 | 0 | 0 | 0 | 109.9 | C75 L81 Q87 L90 I91 L94 V117 L118 S123 A124 L125 | C75-I121 HydrophobicContact CB-CD1 4.29Å; C75-I121 HydrophobicContact CB-CG1 4.22Å; L81-I121 HydrophobicContact CD2-CG1 4.22Å; L81-I121 HydrophobicContact CD2-CG2 4.32Å; Q87-I121 HydrophobicContact CB-CG2 4.45Å; L90-I121 HydrophobicContact CB-CD1 4.43Å; I91-I121 HydrophobicContact CD1-CG2 4.1Å; I91-I121 HydrophobicContact CG1-CD1 4.11Å; I91-I121 HydrophobicContact CG1-CG2 4.23Å; L94-I121 HydrophobicContact CD1-CD1 3.68Å; V117-I121 HydrophobicContact CG1-CD1 4.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.44Å; V117-I121 PolarHBondContact O-N 3.33Å; L118-I121 PolarHBondContact O-N 3.02Å; I121-S123 PolarHBondContact O-N 3.19Å; I121-A124 WeakPolarHBondContact O-CB 3.46Å; I121-A124 PolarHBondContact O-N 3.16Å; I121-A124 VanDerWaalsContact O-N 3.09Å; I121-L125 PolarHBondContact O-N 3.24Å |
| 122 | L | 68.7 | Low | 68.4 | Low | 100 Ų | 100 | 58.2 Ų | 58.2 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -27.8 | 179.7 | -66.1 | 175.1 | 0 | 0 | 0 | 112.9 | L118 H120 L125 | L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3.41Å; H120-L122 VanDerWaalsContact C-N 3.33Å; H120-L122 PolarHBondContact O-N 3.03Å; L122-L125 HydrophobicContact CB-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD1 3.72Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å |
| 123 | S | 67.9 | Low | 67.1 | Low | 58 Ų | 58 | 55.9 Ų | 55.9 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -79.2 | -34.5 | 172.4 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | S119 H120 I121 L125 R126 | S119-S123 WeakPolarHBondContact O-CB 3.3Å; S119-S123 PolarHBondContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 3.48Å; H120-S123 WeakPolarHBondContact CA-OG 3.41Å; H120-S123 CarbonylContact O-C 3.49Å; H120-S123 PolarHBondContact O-N 3.3Å; H120-S123 VanDerWaalsContact O-N 3.11Å; H120-S123 PolarHBondContact O-OG 2.97Å; I121-S123 PolarHBondContact O-N 3.19Å; S123-L125 PolarHBondContact O-N 3.02Å; S123-R126 VanDerWaalsContact O-CB 3.22Å; S123-R126 WeakPolarHBondContact O-CB 3.36Å; S123-R126 PolarHBondContact O-N 3.35Å |
| 124 | A | 59.3 | Low | 65.7 | Low | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -23 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L81 H120 I121 R126 | L81-A124 HydrophobicContact CD1-CB 4.03Å; H120-A124 WeakPolarHBondContact O-CB 3.48Å; H120-A124 PolarHBondContact O-N 3.33Å; I121-A124 WeakPolarHBondContact O-CB 3.46Å; I121-A124 PolarHBondContact O-N 3.16Å; I121-A124 VanDerWaalsContact O-N 3.09Å; A124-R126 CarbonylContact O-C 3.47Å; A124-R126 VanDerWaalsContact O-C 3.23Å; A124-R126 PolarHBondContact O-N 3.06Å |
| 125 | L | 54 | Low | 64.7 | Low | 81 Ų | 81 | 51.9 Ų | 51.9 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -21.9 | 164.5 | -64.6 | 174.4 | 0 | 0 | 0 | 112.8 | I121 L122 S123 F127 | I121-L125 PolarHBondContact O-N 3.24Å; L122-L125 HydrophobicContact CB-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD1 3.72Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å; S123-L125 PolarHBondContact O-N 3.02Å; L125-F127 VanDerWaalsContact C-N 3.33Å; L125-F127 PolarHBondContact O-N 2.9Å; L125-F127 VanDerWaalsContact O-N 3.16Å |
| 126 | R | 51 | Low | 63.9 | Low | 195 Ų | 195 | 50 Ų | 50 | 74% | 0.736 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -80.4 | 91 | 162.2 | -56.6 | -172.1 | 176.4 | -160.7 | -1.2 | 106.8 | S123 A124 D128 | S123-R126 VanDerWaalsContact O-CB 3.22Å; S123-R126 WeakPolarHBondContact O-CB 3.36Å; S123-R126 PolarHBondContact O-N 3.35Å; A124-R126 CarbonylContact O-C 3.47Å; A124-R126 VanDerWaalsContact O-C 3.23Å; A124-R126 PolarHBondContact O-N 3.06Å; R126-D128 PolarHBondContact O-N 3.33Å |
| 127 | F | 52.5 | Low | 62.6 | Low | 100 Ų | 100 | 49.5 Ų | 49.5 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -6.9 | -2.9 | 170.9 | -61 | -87.5 | 0 | 0 | 0 | 122.1 | L125 K129 V131 Y145 L193 | L125-F127 VanDerWaalsContact C-N 3.33Å; L125-F127 PolarHBondContact O-N 2.9Å; L125-F127 VanDerWaalsContact O-N 3.16Å; F127-K129 PolarHBondContact O-N 2.91Å; F127-V131 HydrophobicContact CB-CG2 4.26Å; F127-V131 WeakPolarHBondContact O-CB 3.28Å; F127-V131 WeakPolarHBondContact O-CG2 3.25Å; F127-Y145 WeakPolarHBondContact CB-OH 3.5Å; F127-Y145 PolarHBondContact O-OH 2.75Å; F127-L193 HydrophobicContact CE1-CD2 4.22Å |
| 128 | D | 52.9 | Low | 61.4 | Low | 93 Ų | 93 | 50.6 Ų | 50.6 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | -166.9 | -69.2 | 3.9 | 0 | 0 | 0 | 113.9 | R126 A132 Y145 | R126-D128 PolarHBondContact O-N 3.33Å; D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.11Å; D128-Y145 HydrophobicContact CB-CE1 4.27Å; D128-Y145 WeakPolarHBondContact OD1-CE1 3.4Å |
| 129 | K | 51.3 | Low | 60.4 | Low | 95 Ų | 95 | 52.7 Ų | 52.7 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -86.6 | -44.4 | -169.6 | -71.2 | -168.9 | 179.4 | -172 | 0 | 114.9 | P78 H120 F127 V131 A132 L133 | P78-K129 HydrophobicContact CB-CB 4.37Å; H120-K129 PolarHBondContact CE1-NZ 3.11Å; H120-K129 VanDerWaalsContact CE1-NZ 3.27Å; F127-K129 PolarHBondContact O-N 2.91Å; K129-V131 VanDerWaalsContact C-N 3.27Å; K129-A132 WeakPolarHBondContact O-CB 3.3Å; K129-A132 PolarHBondContact O-N 2.97Å; K129-L133 PolarHBondContact O-N 3.25Å |
| 130 | E | 53.5 | Low | 59.4 | Low | 16 Ų | 16 | 53.8 Ų | 53.8 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 178.8 | -68 | 159.9 | -169.5 | 0 | 0 | 110.2 | P78 L81 A82 L133 F134 | P78-E130 HydrophobicContact CB-CG 4.26Å; P78-E130 WeakPolarHBondContact O-CG 3.43Å; L81-E130 WeakPolarHBondContact CB-OE1 3.39Å; A82-E130 VanDerWaalsContact CA-OE1 3.29Å; A82-E130 WeakPolarHBondContact CA-OE1 3.15Å; A82-E130 HydrophobicContact CB-CB 4.43Å; A82-E130 HydrophobicContact CB-CG 3.89Å; A82-E130 PolarHBondContact N-OE1 3.04Å; E130-L133 PolarHBondContact O-N 3.41Å; E130-F134 PolarHBondContact O-N 3.08Å |
| 131 | V | 53.5 | Low | 58.3 | Low | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 173.6 | -178 | 0 | 0 | 0 | 0 | 111.5 | F127 K129 L133 F134 T135 Y145 L150 | F127-V131 HydrophobicContact CB-CG2 4.26Å; F127-V131 WeakPolarHBondContact O-CB 3.28Å; F127-V131 WeakPolarHBondContact O-CG2 3.25Å; K129-V131 VanDerWaalsContact C-N 3.27Å; V131-L133 PolarHBondContact O-N 3.35Å; V131-F134 WeakPolarHBondContact O-CB 3.47Å; V131-F134 PolarHBondContact O-N 2.69Å; V131-T135 HydrophobicContact CG1-CG2 4.06Å; V131-T135 VanDerWaalsContact O-CG2 3.24Å; V131-T135 WeakPolarHBondContact O-CG2 3.32Å; V131-T135 PolarHBondContact O-N 3.44Å; V131-T135 PolarHBondContact O-OG1 3.41Å; V131-Y145 HydrophobicContact CB-CD2 4.48Å; V131-Y145 HydrophobicContact CB-CE2 3.73Å; V131-Y145 HydrophobicContact CG1-CD2 3.85Å; V131-Y145 HydrophobicContact CG1-CE2 3.23Å; V131-Y145 HydrophobicContact CG2-CE2 4.43Å; V131-L150 HydrophobicContact CG1-CB 3.89Å; V131-L150 HydrophobicContact CG1-CD1 3.84Å; V131-L150 HydrophobicContact CG1-CD2 4Å; V131-L150 HydrophobicContact CG1-CG 4.1Å; V131-L150 HydrophobicContact CG2-CD2 3.71Å |
| 132 | A | 54.2 | Low | 57.2 | Low | 21 Ų | 21 | 58.7 Ų | 58.7 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -29.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D128 K129 T135 Q136 P142 | D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.11Å; K129-A132 WeakPolarHBondContact O-CB 3.3Å; K129-A132 PolarHBondContact O-N 2.97Å; A132-T135 WeakPolarHBondContact CA-OG1 3.42Å; A132-T135 PolarHBondContact O-OG1 3.21Å; A132-Q136 VanDerWaalsContact O-CB 3.22Å; A132-Q136 WeakPolarHBondContact O-CB 3.23Å; A132-Q136 PolarHBondContact O-N 2.99Å; A132-P142 HydrophobicContact CB-CB 4.25Å |
| 133 | L | 57.2 | Low | 56.3 | Low | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -84.4 | -36 | 176.9 | -76.3 | 162.1 | 0 | 0 | 0 | 113.2 | Q31 P78 F79 K129 E130 V131 T135 Q136 G137 | Q31-L133 VanDerWaalsContact NE2-CD2 3.33Å; P78-L133 HydrophobicContact CB-CD1 3.51Å; P78-L133 HydrophobicContact CG-CD1 2.94Å; P78-L133 HydrophobicContact CG-CG 4.37Å; F79-L133 HydrophobicContact CD2-CD1 4.05Å; F79-L133 HydrophobicContact CE2-CB 4.1Å; F79-L133 HydrophobicContact CE2-CD1 3.54Å; F79-L133 HydrophobicContact CE2-CD2 3.92Å; F79-L133 HydrophobicContact CE2-CG 4.09Å; F79-L133 HydrophobicContact CZ-CB 3.78Å; F79-L133 HydrophobicContact CZ-CD1 4.07Å; F79-L133 HydrophobicContact CZ-CD2 4.19Å; F79-L133 HydrophobicContact CZ-CG 4.26Å; K129-L133 PolarHBondContact O-N 3.25Å; E130-L133 PolarHBondContact O-N 3.41Å; V131-L133 PolarHBondContact O-N 3.35Å; L133-T135 VanDerWaalsContact C-N 3.3Å; L133-Q136 PolarHBondContact O-N 3.08Å; L133-G137 PolarHBondContact O-N 2.76Å |
| 134 | F | 61 | Low | 55.5 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 166.3 | -178.3 | -110.1 | 0 | 0 | 0 | 110.4 | E130 V131 Q136 G137 L138 L150 V154 L157 V186 L190 L199 | E130-F134 PolarHBondContact O-N 3.08Å; V131-F134 WeakPolarHBondContact O-CB 3.47Å; V131-F134 PolarHBondContact O-N 2.69Å; F134-Q136 PolarHBondContact O-N 3.4Å; F134-G137 PolarHBondContact O-N 3.48Å; F134-L138 HydrophobicContact CD1-CD1 3.67Å; F134-L138 HydrophobicContact CD2-CD1 4.4Å; F134-L138 HydrophobicContact CE1-CD1 3.31Å; F134-L138 HydrophobicContact CE1-CG 4.49Å; F134-L138 HydrophobicContact CE2-CD1 4.11Å; F134-L138 HydrophobicContact CG-CD1 4.23Å; F134-L138 HydrophobicContact CZ-CD1 3.56Å; F134-L138 HydrophobicContact CZ-CG 4.44Å; F134-L138 WeakPolarHBondContact O-CG 3.17Å; F134-L138 PolarHBondContact O-N 3.14Å; F134-L138 VanDerWaalsContact O-N 3.09Å; F134-L150 HydrophobicContact CD1-CD1 3.43Å; F134-L150 VanDerWaalsContact CD1-CD1 3.43Å; F134-L150 HydrophobicContact CE1-CD1 3.58Å; F134-V154 HydrophobicContact CE1-CG2 4.05Å; F134-V154 HydrophobicContact CZ-CG2 4.35Å; F134-L157 HydrophobicContact CZ-CD1 4.45Å; F134-V186 HydrophobicContact CD2-CG1 3.69Å; F134-V186 HydrophobicContact CE2-CG1 4.13Å; F134-L190 HydrophobicContact CB-CD1 3.72Å; F134-L190 HydrophobicContact CD2-CD1 3.15Å; F134-L190 HydrophobicContact CE2-CD1 3.87Å; F134-L190 HydrophobicContact CG-CD1 3.61Å; F134-L199 HydrophobicContact CE2-CD2 4.22Å; F134-L199 HydrophobicContact CZ-CD2 3.69Å |
| 135 | T | 61.5 | Low | 54.9 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 178 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | V131 A132 L133 L138 G139 Y140 M153 | V131-T135 HydrophobicContact CG1-CG2 4.06Å; V131-T135 VanDerWaalsContact O-CG2 3.24Å; V131-T135 WeakPolarHBondContact O-CG2 3.32Å; V131-T135 PolarHBondContact O-N 3.44Å; V131-T135 PolarHBondContact O-OG1 3.41Å; A132-T135 WeakPolarHBondContact CA-OG1 3.42Å; A132-T135 PolarHBondContact O-OG1 3.21Å; L133-T135 VanDerWaalsContact C-N 3.3Å; T135-L138 CarbonylContact O-C 3.54Å; T135-L138 WeakPolarHBondContact O-CB 3.34Å; T135-L138 PolarHBondContact O-N 2.97Å; T135-L138 VanDerWaalsContact O-N 3.15Å; T135-G139 PolarHBondContact O-N 3.46Å; T135-Y140 CarbonylContact C-O 3.55Å; T135-Y140 WeakPolarHBondContact O-CB 3.43Å; T135-Y140 PolarHBondContact O-N 3.34Å; T135-M153 HydrophobicContact CG2-CE 3.52Å; T135-M153 HydrophobicContact CG2-SD 3.49Å; T135-M153 WeakPolarHBondContact CG2-SD 3.43Å |
| 136 | Q | 64 | Low | 54.9 | Low | 85 Ų | 85 | 70.7 Ų | 70.7 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174 | -172.3 | 179.4 | 5.2 | 0 | 0 | 112.5 | A132 L133 F134 L138 G139 Y140 | A132-Q136 VanDerWaalsContact O-CB 3.22Å; A132-Q136 WeakPolarHBondContact O-CB 3.23Å; A132-Q136 PolarHBondContact O-N 2.99Å; L133-Q136 PolarHBondContact O-N 3.08Å; F134-Q136 PolarHBondContact O-N 3.4Å; Q136-L138 PolarHBondContact O-N 2.89Å; Q136-G139 PolarHBondContact O-N 3.04Å; Q136-Y140 WeakPolarHBondContact CA-O 3.32Å |
| 137 | G | 57.8 | Low | 55 | Low | 33 Ų | 33 | 65.6 Ų | 65.6 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.1 | -22.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L133 F134 | L133-G137 PolarHBondContact O-N 2.76Å; F134-G137 PolarHBondContact O-N 3.48Å |
| 138 | L | 59.8 | Low | 55.5 | Low | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.3 | 173.5 | -65.9 | 172 | 0 | 0 | 0 | 113.8 | F134 T135 Q136 Y140 M153 L157 L183 | F134-L138 HydrophobicContact CD1-CD1 3.67Å; F134-L138 HydrophobicContact CD2-CD1 4.4Å; F134-L138 HydrophobicContact CE1-CD1 3.31Å; F134-L138 HydrophobicContact CE1-CG 4.49Å; F134-L138 HydrophobicContact CE2-CD1 4.11Å; F134-L138 HydrophobicContact CG-CD1 4.23Å; F134-L138 HydrophobicContact CZ-CD1 3.56Å; F134-L138 HydrophobicContact CZ-CG 4.44Å; F134-L138 WeakPolarHBondContact O-CG 3.17Å; F134-L138 PolarHBondContact O-N 3.14Å; F134-L138 VanDerWaalsContact O-N 3.09Å; T135-L138 CarbonylContact O-C 3.54Å; T135-L138 WeakPolarHBondContact O-CB 3.34Å; T135-L138 PolarHBondContact O-N 2.97Å; T135-L138 VanDerWaalsContact O-N 3.15Å; Q136-L138 PolarHBondContact O-N 2.89Å; L138-Y140 HydrophobicContact CB-CD2 3.64Å; L138-Y140 HydrophobicContact CB-CE2 3.94Å; L138-M153 HydrophobicContact CB-CE 4.06Å; L138-M153 HydrophobicContact CD1-CE 3.41Å; L138-M153 VanDerWaalsContact CD1-CE 3.41Å; L138-M153 HydrophobicContact CG-CE 4.39Å; L138-L157 HydrophobicContact CD1-CD1 3.5Å; L138-L157 VanDerWaalsContact CD1-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD1 3.5Å; L138-L157 VanDerWaalsContact CD2-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD2 4.26Å; L138-L157 HydrophobicContact CG-CD1 4.12Å; L138-L183 HydrophobicContact CD2-CD2 3.16Å |
| 139 | G | 58.8 | Low | 56.1 | Low | 71 Ų | 71 | 60.4 Ų | 60.4 | 73% | 0.732 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 14.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T135 Q136 | T135-G139 PolarHBondContact O-N 3.46Å; Q136-G139 PolarHBondContact O-N 3.04Å |
| 140 | Y | 54.2 | Low | 56.8 | Low | 97 Ų | 97 | 56.1 Ų | 56.1 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -99.7 | 145.6 | 178 | -64.3 | -95.3 | 0 | 0 | 0 | 111.6 | T135 Q136 L138 M153 | T135-Y140 CarbonylContact C-O 3.55Å; T135-Y140 WeakPolarHBondContact O-CB 3.43Å; T135-Y140 PolarHBondContact O-N 3.34Å; Q136-Y140 WeakPolarHBondContact CA-O 3.32Å; L138-Y140 HydrophobicContact CB-CD2 3.64Å; L138-Y140 HydrophobicContact CB-CE2 3.94Å; Y140-M153 HydrophobicContact CD1-CE 4.37Å; Y140-M153 HydrophobicContact CD1-SD 4.32Å; Y140-M153 HydrophobicContact CD2-CE 3.19Å; Y140-M153 HydrophobicContact CD2-SD 4.16Å; Y140-M153 HydrophobicContact CE2-CE 3.62Å; Y140-M153 HydrophobicContact CG-CE 3.61Å; Y140-M153 HydrophobicContact CG-SD 4.03Å | ||
| 141 | A | 56.5 | Low | 57.8 | Low | 54 Ų | 54 | 60.8 Ų | 60.8 | 45% | 0.446 | 35% | 0.345 | S | S | . | . | trans | -80.9 | 142.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I143 D144 | A141-I143 PolarHBondContact O-N 3.49Å; A141-D144 PolarHBondContact O-N 3Å | ||
| 142 | P | 52.3 | Low | 58.7 | Low | 70 Ų | 70 | 65.7 Ų | 65.7 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -62.8 | -22.7 | -178.8 | -25.3 | 34.3 | 0 | 0 | 0 | 115.6 | A132 D144 Y145 | A132-P142 HydrophobicContact CB-CB 4.25Å; P142-D144 PolarHBondContact O-N 3.24Å; P142-Y145 WeakPolarHBondContact O-CB 3.31Å; P142-Y145 PolarHBondContact O-N 3.18Å |
| 143 | I | 49.5 | Very low | 59.7 | Low | 165 Ų | 165 | 64.9 Ų | 64.9 | 85% | 0.846 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -68.8 | -19.7 | -174.4 | -79.2 | 168.3 | 0 | 0 | 0 | 112.8 | A141 Y145 | A141-I143 PolarHBondContact O-N 3.49Å; I143-Y145 VanDerWaalsContact C-N 3.29Å; I143-Y145 PolarHBondContact O-N 2.71Å |
| 144 | D | 50 | Low | 61 | Low | 102 Ų | 102 | 64.1 Ų | 64.1 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -87.7 | 8 | -177.4 | -61.1 | -41.8 | 0 | 0 | 0 | 113.4 | A141 P142 Y146 L149 | A141-D144 PolarHBondContact O-N 3Å; P142-D144 PolarHBondContact O-N 3.24Å; D144-Y146 PolarHBondContact O-N 3.18Å; D144-L149 HydrophobicContact CB-CD2 4.01Å; D144-L149 VanDerWaalsContact O-CD2 3.27Å; D144-L149 WeakPolarHBondContact O-CD2 3.44Å |
| 145 | Y | 48.1 | Very low | 62.1 | Low | 45 Ų | 45 | 67.6 Ų | 67.6 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | trans | -69.2 | 99.8 | -170.6 | -173.4 | -106.4 | 0 | 0 | 0 | 113.8 | F127 D128 V131 P142 I143 | F127-Y145 WeakPolarHBondContact CB-OH 3.5Å; F127-Y145 PolarHBondContact O-OH 2.75Å; D128-Y145 HydrophobicContact CB-CE1 4.27Å; D128-Y145 WeakPolarHBondContact OD1-CE1 3.4Å; V131-Y145 HydrophobicContact CB-CD2 4.48Å; V131-Y145 HydrophobicContact CB-CE2 3.73Å; V131-Y145 HydrophobicContact CG1-CD2 3.85Å; V131-Y145 HydrophobicContact CG1-CE2 3.23Å; V131-Y145 HydrophobicContact CG2-CE2 4.43Å; P142-Y145 WeakPolarHBondContact O-CB 3.31Å; P142-Y145 PolarHBondContact O-N 3.18Å; I143-Y145 VanDerWaalsContact C-N 3.29Å; I143-Y145 PolarHBondContact O-N 2.71Å | ||
| 146 | Y | 52.6 | Low | 63 | Low | 189 Ų | 189 | 70.3 Ų | 70.3 | 74% | 0.741 | 40% | 0.397 | S | S | * | . | trans | -105.1 | 143.2 | 154.8 | -92.6 | -96.5 | 0 | 0 | 0 | 108.2 | D144 G148 L149 | D144-Y146 PolarHBondContact O-N 3.18Å; Y146-G148 PolarHBondContact O-N 3.42Å; Y146-L149 WeakPolarHBondContact O-CA 3.26Å; Y146-L149 WeakPolarHBondContact O-CB 3.33Å; Y146-L149 PolarHBondContact O-N 2.92Å | ||
| 147 | P | 53.3 | Low | 64 | Low | 89 Ų | 89 | 66.3 Ų | 66.3 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -52.6 | -27.5 | 175.1 | -28.4 | 34.5 | 0 | 0 | 0 | 114.1 | L149 | P147-L149 VanDerWaalsContact C-N 3.33Å |
| 148 | G | 63.2 | Low | 65.4 | Low | 38 Ų | 38 | 64.8 Ų | 64.8 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.4 | -23.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y146 N152 | Y146-G148 PolarHBondContact O-N 3.42Å; G148-N152 WeakPolarHBondContact O-CB 2.96Å; G148-N152 PolarHBondContact O-N 2.88Å; G148-N152 PolarHBondContact O-ND2 3.34Å; G148-N152 PolarHBondContact O-OD1 2.97Å |
| 149 | L | 65.2 | Low | 66.6 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 178.2 | -175.6 | 68.8 | 0 | 0 | 0 | 111.1 | D144 Y146 P147 K151 N152 M153 | D144-L149 HydrophobicContact CB-CD2 4.01Å; D144-L149 VanDerWaalsContact O-CD2 3.27Å; D144-L149 WeakPolarHBondContact O-CD2 3.44Å; Y146-L149 WeakPolarHBondContact O-CA 3.26Å; Y146-L149 WeakPolarHBondContact O-CB 3.33Å; Y146-L149 PolarHBondContact O-N 2.92Å; P147-L149 VanDerWaalsContact C-N 3.33Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.07Å; L149-N152 CarbonylContact O-C 3.57Å; L149-N152 PolarHBondContact O-N 3.47Å; L149-N152 VanDerWaalsContact O-N 3.15Å; L149-M153 HydrophobicContact CD1-CG 4.24Å; L149-M153 HydrophobicContact CD1-SD 4.3Å; L149-M153 HydrophobicContact CD2-SD 4.01Å; L149-M153 HydrophobicContact CG-CG 4.13Å; L149-M153 HydrophobicContact CG-SD 3.74Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 VanDerWaalsContact O-CG 3.24Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 3.33Å |
| 150 | L | 66.3 | Low | 67.7 | Low | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.9 | -51.4 | 177.5 | 175 | 62.3 | 0 | 0 | 0 | 110.8 | V131 F134 N152 M153 V154 D195 | V131-L150 HydrophobicContact CG1-CB 3.89Å; V131-L150 HydrophobicContact CG1-CD1 3.84Å; V131-L150 HydrophobicContact CG1-CD2 4Å; V131-L150 HydrophobicContact CG1-CG 4.1Å; V131-L150 HydrophobicContact CG2-CD2 3.71Å; F134-L150 HydrophobicContact CD1-CD1 3.43Å; F134-L150 VanDerWaalsContact CD1-CD1 3.43Å; F134-L150 HydrophobicContact CE1-CD1 3.58Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 3.4Å; L150-M153 WeakPolarHBondContact O-CB 3.01Å; L150-M153 PolarHBondContact O-N 3.5Å; L150-M153 VanDerWaalsContact O-N 3.12Å; L150-V154 HydrophobicContact CD1-CG2 3.93Å; L150-V154 HydrophobicContact CG-CG2 4.31Å; L150-V154 WeakPolarHBondContact O-CB 3.48Å; L150-V154 WeakPolarHBondContact O-CG2 3.35Å; L150-V154 PolarHBondContact O-N 2.96Å; L150-D195 HydrophobicContact CD2-CB 4.12Å |
| 151 | K | 73.8 | Confident | 69.1 | Low | 114 Ų | 114 | 60.2 Ų | 60.2 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.6 | -44.1 | 177.4 | -176.4 | 172.7 | -179.2 | 171.1 | 0 | 111.3 | L149 L155 | L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.07Å; K151-L155 HydrophobicContact CG-CD1 3.98Å; K151-L155 HydrophobicContact CG-CG 4.49Å; K151-L155 VanDerWaalsContact O-CB 3.3Å; K151-L155 WeakPolarHBondContact O-CB 3.45Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.25Å |
| 152 | N | 73.8 | Confident | 70.2 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 177 | -69.9 | -17.8 | 0 | 0 | 0 | 112.5 | G148 L149 L150 S156 | G148-N152 WeakPolarHBondContact O-CB 2.96Å; G148-N152 PolarHBondContact O-N 2.88Å; G148-N152 PolarHBondContact O-ND2 3.34Å; G148-N152 PolarHBondContact O-OD1 2.97Å; L149-N152 CarbonylContact O-C 3.57Å; L149-N152 PolarHBondContact O-N 3.47Å; L149-N152 VanDerWaalsContact O-N 3.15Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 3.4Å; N152-S156 WeakPolarHBondContact O-CB 3.36Å; N152-S156 PolarHBondContact O-N 3.46Å |
| 153 | M | 74.3 | Confident | 71.1 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 176.9 | -74.1 | 175.2 | 58.1 | 0 | 0 | 111.3 | T135 L138 Y140 L149 L150 L155 S156 L157 | T135-M153 HydrophobicContact CG2-CE 3.52Å; T135-M153 HydrophobicContact CG2-SD 3.49Å; T135-M153 WeakPolarHBondContact CG2-SD 3.43Å; L138-M153 HydrophobicContact CB-CE 4.06Å; L138-M153 HydrophobicContact CD1-CE 3.41Å; L138-M153 VanDerWaalsContact CD1-CE 3.41Å; L138-M153 HydrophobicContact CG-CE 4.39Å; Y140-M153 HydrophobicContact CD1-CE 4.37Å; Y140-M153 HydrophobicContact CD1-SD 4.32Å; Y140-M153 HydrophobicContact CD2-CE 3.19Å; Y140-M153 HydrophobicContact CD2-SD 4.16Å; Y140-M153 HydrophobicContact CE2-CE 3.62Å; Y140-M153 HydrophobicContact CG-CE 3.61Å; Y140-M153 HydrophobicContact CG-SD 4.03Å; L149-M153 HydrophobicContact CD1-CG 4.24Å; L149-M153 HydrophobicContact CD1-SD 4.3Å; L149-M153 HydrophobicContact CD2-SD 4.01Å; L149-M153 HydrophobicContact CG-CG 4.13Å; L149-M153 HydrophobicContact CG-SD 3.74Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 VanDerWaalsContact O-CG 3.24Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 3.33Å; L150-M153 WeakPolarHBondContact O-CB 3.01Å; L150-M153 PolarHBondContact O-N 3.5Å; L150-M153 VanDerWaalsContact O-N 3.12Å; M153-L155 PolarHBondContact O-N 2.91Å; M153-S156 WeakPolarHBondContact O-CB 3.41Å; M153-S156 PolarHBondContact O-N 2.9Å; M153-L157 WeakPolarHBondContact O-CB 3.31Å; M153-L157 WeakPolarHBondContact O-CG 3.46Å; M153-L157 PolarHBondContact O-N 2.92Å |
| 154 | V | 83.8 | Confident | 71.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 174.5 | 163.5 | 0 | 0 | 0 | 0 | 110.2 | F134 L150 S156 L157 A158 D195 V196 P198 L199 | F134-V154 HydrophobicContact CE1-CG2 4.05Å; F134-V154 HydrophobicContact CZ-CG2 4.35Å; L150-V154 HydrophobicContact CD1-CG2 3.93Å; L150-V154 HydrophobicContact CG-CG2 4.31Å; L150-V154 WeakPolarHBondContact O-CB 3.48Å; L150-V154 WeakPolarHBondContact O-CG2 3.35Å; L150-V154 PolarHBondContact O-N 2.96Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.33Å; V154-L157 PolarHBondContact O-N 3.3Å; V154-A158 WeakPolarHBondContact O-CB 3.31Å; V154-A158 PolarHBondContact O-N 2.75Å; V154-D195 VanDerWaalsContact CG1-O 3.22Å; V154-D195 WeakPolarHBondContact CG1-O 3.35Å; V154-V196 HydrophobicContact CG2-CG2 4.49Å; V154-P198 HydrophobicContact CG1-CB 4.08Å; V154-P198 HydrophobicContact CG1-CG 4.25Å; V154-L199 HydrophobicContact CG1-CB 3.86Å |
| 155 | L | 85.2 | Confident | 71.9 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 178.3 | -70.5 | 173.2 | 0 | 0 | 0 | 112.2 | K151 M153 S159 P198 | K151-L155 HydrophobicContact CG-CD1 3.98Å; K151-L155 HydrophobicContact CG-CG 4.49Å; K151-L155 VanDerWaalsContact O-CB 3.3Å; K151-L155 WeakPolarHBondContact O-CB 3.45Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.25Å; M153-L155 PolarHBondContact O-N 2.91Å; L155-S159 VanDerWaalsContact O-CB 3.29Å; L155-S159 WeakPolarHBondContact O-CB 3.27Å; L155-S159 PolarHBondContact O-N 2.99Å; L155-S159 PolarHBondContact O-OG 3.42Å; L155-P198 HydrophobicContact CD2-CB 4.28Å; L155-P198 HydrophobicContact CD2-CG 4.4Å |
| 156 | S | 80.4 | Confident | 72.2 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | N152 M153 V154 S159 E160 | N152-S156 WeakPolarHBondContact O-CB 3.36Å; N152-S156 PolarHBondContact O-N 3.46Å; M153-S156 WeakPolarHBondContact O-CB 3.41Å; M153-S156 PolarHBondContact O-N 2.9Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.33Å; S156-S159 PolarHBondContact O-N 3.27Å; S156-S159 PolarHBondContact O-OG 3.48Å; S156-E160 PolarHBondContact O-N 2.81Å |
| 157 | L | 84.2 | Confident | 71.9 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.1 | -69.8 | 167.1 | 0 | 0 | 0 | 111.9 | F134 L138 M153 V154 S159 E160 L161 M175 L183 L199 | F134-L157 HydrophobicContact CZ-CD1 4.45Å; L138-L157 HydrophobicContact CD1-CD1 3.5Å; L138-L157 VanDerWaalsContact CD1-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD1 3.5Å; L138-L157 VanDerWaalsContact CD2-CD1 3.5Å; L138-L157 HydrophobicContact CD2-CD2 4.26Å; L138-L157 HydrophobicContact CG-CD1 4.12Å; M153-L157 WeakPolarHBondContact O-CB 3.31Å; M153-L157 WeakPolarHBondContact O-CG 3.46Å; M153-L157 PolarHBondContact O-N 2.92Å; V154-L157 PolarHBondContact O-N 3.3Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.34Å; L157-E160 PolarHBondContact O-N 3.41Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 2.85Å; L157-M175 HydrophobicContact CD2-CE 4.1Å; L157-L183 HydrophobicContact CD1-CD2 4.32Å; L157-L183 HydrophobicContact CD2-CD1 4.43Å; L157-L199 HydrophobicContact CB-CD1 3.93Å; L157-L199 HydrophobicContact CD1-CD2 4.31Å |
| 158 | A | 87.3 | Confident | 71.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V154 R162 P198 A202 | V154-A158 WeakPolarHBondContact O-CB 3.31Å; V154-A158 PolarHBondContact O-N 2.75Å; A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 WeakPolarHBondContact O-CG 3.39Å; A158-R162 PolarHBondContact O-N 3.44Å; A158-P198 HydrophobicContact CB-CB 4.42Å; A158-P198 WeakPolarHBondContact CB-O 3.28Å; A158-A202 HydrophobicContact CB-CB 3.85Å |
| 159 | S | 85.2 | Confident | 70.7 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 174.8 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | L155 S156 L157 L161 R162 E163 | L155-S159 VanDerWaalsContact O-CB 3.29Å; L155-S159 WeakPolarHBondContact O-CB 3.27Å; L155-S159 PolarHBondContact O-N 2.99Å; L155-S159 PolarHBondContact O-OG 3.42Å; S156-S159 PolarHBondContact O-N 3.27Å; S156-S159 PolarHBondContact O-OG 3.48Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.34Å; S159-L161 PolarHBondContact O-N 2.98Å; S159-R162 PolarHBondContact O-N 3.31Å; S159-E163 WeakPolarHBondContact O-CG 3.39Å; S159-E163 PolarHBondContact O-N 3.14Å |
| 160 | E | 82 | Confident | 69.8 | Low | 43 Ų | 43 | 61.1 Ų | 61.1 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 176.1 | -167.4 | -178.9 | 169.6 | 0 | 0 | 110.8 | S156 L157 E163 N164 M175 R179 | S156-E160 PolarHBondContact O-N 2.81Å; L157-E160 PolarHBondContact O-N 3.41Å; E160-E163 PolarHBondContact O-N 2.91Å; E160-N164 VanDerWaalsContact O-CG 3.3Å; E160-N164 PolarHBondContact O-N 3.43Å; E160-N164 PolarHBondContact O-ND2 3.32Å; E160-N164 PolarHBondContact O-OD1 2.74Å; E160-M175 HydrophobicContact CB-CE 4.17Å; E160-M175 HydrophobicContact CG-CE 3.89Å; E160-M175 WeakPolarHBondContact OE2-CE 2.85Å; E160-R179 IonicContact OE1-CZ 2.96Å; E160-R179 IonicContact OE1-NH1 3.86Å; E160-R179 PolarHBondContact OE1-NH1 3.48Å; E160-R179 IonicContact OE1-NH2 2.78Å; E160-R179 IonicContact OE2-CZ 3.03Å; E160-R179 IonicContact OE2-NH1 3.77Å; E160-R179 PolarHBondContact OE2-NH1 2.94Å; E160-R179 IonicContact OE2-NH2 3.21Å; E160-R179 PolarHBondContact OE2-NH2 3.14Å |
| 161 | L | 83.5 | Confident | 68.9 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 174.6 | -72 | 169.9 | 0 | 0 | 0 | 112.5 | L157 S159 N164 H165 M175 V180 L199 A202 L203 C206 | L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 2.85Å; S159-L161 PolarHBondContact O-N 2.98Å; L161-N164 VanDerWaalsContact O-CB 3.29Å; L161-N164 WeakPolarHBondContact O-CB 3.4Å; L161-N164 PolarHBondContact O-N 2.69Å; L161-H165 PolarHBondContact O-N 2.64Å; L161-M175 HydrophobicContact CD2-CE 4.29Å; L161-M175 HydrophobicContact CD2-SD 3.85Å; L161-M175 HydrophobicContact CG-CE 4.3Å; L161-M175 HydrophobicContact CG-SD 4.47Å; L161-V180 HydrophobicContact CD2-CG1 4.41Å; L161-V180 HydrophobicContact CD2-CG2 3.97Å; L161-L199 HydrophobicContact CD1-CD1 3.52Å; L161-A202 HydrophobicContact CB-CB 4Å; L161-A202 HydrophobicContact CD1-CB 4.01Å; L161-L203 HydrophobicContact CD1-CD2 3.73Å; L161-L203 HydrophobicContact CD1-CG 3.91Å; L161-L203 HydrophobicContact CD2-CD2 4.4Å; L161-C206 HydrophobicContact CB-CB 4.48Å; L161-C206 HydrophobicContact CD2-CB 4.31Å |
| 162 | R | 79.1 | Confident | 67.6 | Low | 100 Ų | 100 | 70.1 Ų | 70.1 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.3 | -34 | 176.3 | -74.3 | 170.5 | 175.8 | 172.4 | -1.6 | 112.2 | A158 S159 N164 H165 L166 E201 A202 | A158-R162 WeakPolarHBondContact O-CB 3.42Å; A158-R162 WeakPolarHBondContact O-CG 3.39Å; A158-R162 PolarHBondContact O-N 3.44Å; S159-R162 PolarHBondContact O-N 3.31Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.65Å; R162-H165 WeakPolarHBondContact O-CB 3.31Å; R162-H165 PolarHBondContact O-N 3.21Å; R162-H165 VanDerWaalsContact O-N 3.16Å; R162-L166 PolarHBondContact O-N 2.78Å; R162-L166 VanDerWaalsContact O-N 3.14Å; R162-E201 IonicContact CZ-OE1 2.7Å; R162-E201 IonicContact NH2-OE1 3.29Å; R162-E201 PolarHBondContact NH2-OE1 3.49Å; R162-E201 IonicContact NH2-OE2 3.37Å; R162-A202 HydrophobicContact CG-CB 4.46Å |
| 163 | E | 71.6 | Confident | 66.6 | Low | 66 Ų | 66 | 73.4 Ų | 73.4 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 172.2 | -78 | -170.7 | -168.8 | 0 | 0 | 111.6 | S159 E160 H165 L166 N167 R173 | S159-E163 WeakPolarHBondContact O-CG 3.39Å; S159-E163 PolarHBondContact O-N 3.14Å; E160-E163 PolarHBondContact O-N 2.91Å; E163-H165 VanDerWaalsContact C-N 3.25Å; E163-H165 PolarHBondContact O-N 3.32Å; E163-L166 PolarHBondContact O-N 3.34Å; E163-N167 PolarHBondContact O-N 3.32Å; E163-R173 IonicContact OE1-NH1 3.97Å; E163-R173 VanDerWaalsContact OE2-CD 3.31Å; E163-R173 WeakPolarHBondContact OE2-CD 3.36Å; E163-R173 IonicContact OE2-NH1 3.64Å; E163-R173 PolarHBondContact OE2-NH1 2.93Å |
| 164 | N | 61.9 | Low | 66.1 | Low | 26 Ų | 26 | 76.9 Ų | 76.9 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | 173.5 | -61.8 | -29.2 | 0 | 0 | 0 | 112.2 | E160 L161 R162 R174 M175 | E160-N164 VanDerWaalsContact O-CG 3.3Å; E160-N164 PolarHBondContact O-N 3.43Å; E160-N164 PolarHBondContact O-ND2 3.32Å; E160-N164 PolarHBondContact O-OD1 2.74Å; L161-N164 VanDerWaalsContact O-CB 3.29Å; L161-N164 WeakPolarHBondContact O-CB 3.4Å; L161-N164 PolarHBondContact O-N 2.69Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.65Å; N164-R174 VanDerWaalsContact OD1-CA 3.24Å; N164-R174 WeakPolarHBondContact OD1-CA 3.41Å; N164-M175 WeakPolarHBondContact ND2-CB 3.43Å; N164-M175 PolarHBondContact OD1-N 3.23Å |
| 165 | H | 55.4 | Low | 65.5 | Low | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.7 | -41.5 | 178.8 | 179.7 | -84.2 | 0 | 0 | 0 | 112.5 | L161 R162 E163 | L161-H165 PolarHBondContact O-N 2.64Å; R162-H165 WeakPolarHBondContact O-CB 3.31Å; R162-H165 PolarHBondContact O-N 3.21Å; R162-H165 VanDerWaalsContact O-N 3.16Å; E163-H165 VanDerWaalsContact C-N 3.25Å; E163-H165 PolarHBondContact O-N 3.32Å |
| 166 | L | 53.6 | Low | 65.2 | Low | 130 Ų | 130 | 76 Ų | 76 | 68% | 0.681 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -82.2 | -30.5 | -170.5 | -69.1 | 167 | 0 | 0 | 0 | 114.3 | R162 E163 | R162-L166 PolarHBondContact O-N 2.78Å; R162-L166 VanDerWaalsContact O-N 3.14Å; E163-L166 PolarHBondContact O-N 3.34Å |
| 167 | N | 46.3 | Very low | 65.2 | Low | 72 Ų | 72 | 75.1 Ų | 75.1 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | trans | -110.8 | 71.3 | -168.6 | -74.9 | -32 | 0 | 0 | 0 | 113.2 | E163 F169 N170 R174 | E163-N167 PolarHBondContact O-N 3.32Å; N167-F169 PolarHBondContact O-N 3.45Å; N167-N170 HydrophobicContact CB-CB 4.16Å; N167-N170 PolarHBondContact O-N 2.87Å; N167-N170 VanDerWaalsContact O-N 3.13Å; N167-R174 PolarHBondContact O-NH2 2.87Å | ||
| 168 | G | 47.8 | Very low | 65 | Low | 24 Ų | 24 | 81.3 Ų | 81.3 | 25% | 0.247 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -12.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | R174 R209 | G168-R174 PolarHBondContact O-NH2 2.9Å; G168-R209 VanDerWaalsContact C-NH2 3.34Å; G168-R209 PolarHBondContact O-NH2 3.49Å |
| 169 | F | 42.9 | Very low | 64.6 | Low | 199 Ų | 199 | 86 Ų | 86 | 87% | 0.873 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -12 | -176.4 | -61.9 | -79.7 | 0 | 0 | 0 | 115.5 | N167 | N167-F169 PolarHBondContact O-N 3.45Š|
| 170 | N | 46.5 | Very low | 64.6 | Low | 96 Ų | 96 | 83.7 Ų | 83.7 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | trans | -98.1 | 100.7 | -180 | -73.5 | -27 | 0 | 0 | 0 | 110.7 | N167 | N167-N170 HydrophobicContact CB-CB 4.16Å; N167-N170 PolarHBondContact O-N 2.87Å; N167-N170 VanDerWaalsContact O-N 3.13Å | ||
| 171 | T | 49 | Very low | 64.8 | Low | 115 Ų | 115 | 82.6 Ų | 82.6 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | trans | -75.2 | -21.3 | 176.5 | 36.9 | 0 | 0 | 0 | 0 | 113.5 | R173 | T171-R173 PolarHBondContact O-N 3.5Š| ||
| 172 | Q | 45.9 | Very low | 64.6 | Low | 195 Ų | 195 | 84.8 Ų | 84.8 | 91% | 0.911 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.6 | -171.1 | -77 | -177.3 | -17.5 | 0 | 0 | 116.1 | ||
| 173 | R | 52.7 | Low | 64.8 | Low | 172 Ų | 172 | 80.3 Ų | 80.3 | 65% | 0.649 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 11.9 | -179.9 | -76.9 | -168.9 | -167.8 | -178.1 | 1.6 | 114.2 | E163 T171 M175 | E163-R173 IonicContact OE1-NH1 3.97Å; E163-R173 VanDerWaalsContact OE2-CD 3.31Å; E163-R173 WeakPolarHBondContact OE2-CD 3.36Å; E163-R173 IonicContact OE2-NH1 3.64Å; E163-R173 PolarHBondContact OE2-NH1 2.93Å; T171-R173 PolarHBondContact O-N 3.5Å; R173-M175 PolarHBondContact O-N 3.09Å |
| 174 | R | 63 | Low | 65.5 | Low | 79 Ų | 79 | 77.2 Ų | 77.2 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 129.4 | -177.4 | -73.4 | -171.2 | -171.8 | 167.4 | 8.1 | 111.7 | N164 N167 G168 A176 | N164-R174 VanDerWaalsContact OD1-CA 3.24Å; N164-R174 WeakPolarHBondContact OD1-CA 3.41Å; N167-R174 PolarHBondContact O-NH2 2.87Å; G168-R174 PolarHBondContact O-NH2 2.9Å; R174-A176 PolarHBondContact O-N 3.33Å |
| 175 | M | 72.6 | Confident | 66.4 | Low | 12 Ų | 12 | 79.1 Ų | 79.1 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -65 | 129.1 | 167.6 | -166.8 | 177.5 | -71.1 | 0 | 0 | 109.1 | L157 E160 L161 N164 R173 R179 V180 L183 | L157-M175 HydrophobicContact CD2-CE 4.1Å; E160-M175 HydrophobicContact CB-CE 4.17Å; E160-M175 HydrophobicContact CG-CE 3.89Å; E160-M175 WeakPolarHBondContact OE2-CE 2.85Å; L161-M175 HydrophobicContact CD2-CE 4.29Å; L161-M175 HydrophobicContact CD2-SD 3.85Å; L161-M175 HydrophobicContact CG-CE 4.3Å; L161-M175 HydrophobicContact CG-SD 4.47Å; N164-M175 WeakPolarHBondContact ND2-CB 3.43Å; N164-M175 PolarHBondContact OD1-N 3.23Å; R173-M175 PolarHBondContact O-N 3.09Å; M175-R179 HydrophobicContact CG-CB 3.83Å; M175-R179 HydrophobicContact CG-CG 3.78Å; M175-R179 HydrophobicContact SD-CB 4.36Å; M175-R179 HydrophobicContact SD-CG 3.89Å; M175-V180 HydrophobicContact CB-CG2 4.04Å; M175-V180 HydrophobicContact CG-CG2 3.83Å; M175-V180 HydrophobicContact SD-CG2 3.72Å; M175-L183 HydrophobicContact CE-CD1 3.73Å; M175-L183 HydrophobicContact SD-CD1 3.31Å; M175-L183 WeakPolarHBondContact SD-CD1 3.46Å; M175-L183 HydrophobicContact SD-CG 4.46Å |
| 176 | A | 78.2 | Confident | 67.4 | Low | 48 Ų | 48 | 75.2 Ų | 75.2 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 143.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R174 E178 R179 V180 | R174-A176 PolarHBondContact O-N 3.33Å; A176-E178 WeakPolarHBondContact CB-OE2 3.21Å; A176-E178 PolarHBondContact O-N 3.18Å; A176-R179 WeakPolarHBondContact O-CA 3.35Å; A176-R179 WeakPolarHBondContact O-CB 3.29Å; A176-R179 PolarHBondContact O-N 3.46Å; A176-V180 PolarHBondContact O-N 2.98Å; A176-V180 VanDerWaalsContact O-N 3.08Å |
| 177 | P | 79.8 | Confident | 68.8 | Low | 39 Ų | 39 | 69 Ų | 69 | 25% | 0.253 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -51.4 | -40.1 | 179.4 | -25.8 | 33.5 | 0 | 0 | 0 | 113.2 | R179 V180 A181 E210 I214 | P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.21Å; P177-V180 PolarHBondContact O-N 2.95Å; P177-A181 WeakPolarHBondContact O-CB 3.26Å; P177-A181 PolarHBondContact O-N 3.06Å; P177-E210 VanDerWaalsContact CG-OE1 3.29Å; P177-E210 WeakPolarHBondContact CG-OE1 3.44Å; P177-I214 HydrophobicContact CB-CD1 4.18Å; P177-I214 HydrophobicContact CB-CG2 4.24Å; P177-I214 VanDerWaalsContact O-CG2 3.28Å; P177-I214 WeakPolarHBondContact O-CG2 3.35Å |
| 178 | E | 80.2 | Confident | 70.5 | Confident | 132 Ų | 132 | 66.4 Ų | 66.4 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.4 | -33.3 | 179.7 | -55.8 | 79.9 | -175.5 | 0 | 0 | 112.1 | A176 S182 | A176-E178 WeakPolarHBondContact CB-OE2 3.21Å; A176-E178 PolarHBondContact O-N 3.18Å; E178-S182 VanDerWaalsContact O-CB 3.3Å; E178-S182 WeakPolarHBondContact O-CB 3.45Å; E178-S182 PolarHBondContact O-N 3Å; E178-S182 PolarHBondContact O-OG 3.28Å |
| 179 | R | 80.3 | Confident | 71.7 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.9 | -39.9 | 175.4 | -174.7 | 170.3 | 169.7 | -134.1 | -9.2 | 110.6 | E160 M175 A176 P177 S182 L183 | E160-R179 IonicContact OE1-CZ 2.96Å; E160-R179 IonicContact OE1-NH1 3.86Å; E160-R179 PolarHBondContact OE1-NH1 3.48Å; E160-R179 IonicContact OE1-NH2 2.78Å; E160-R179 IonicContact OE2-CZ 3.03Å; E160-R179 IonicContact OE2-NH1 3.77Å; E160-R179 PolarHBondContact OE2-NH1 2.94Å; E160-R179 IonicContact OE2-NH2 3.21Å; E160-R179 PolarHBondContact OE2-NH2 3.14Å; M175-R179 HydrophobicContact CG-CB 3.83Å; M175-R179 HydrophobicContact CG-CG 3.78Å; M175-R179 HydrophobicContact SD-CB 4.36Å; M175-R179 HydrophobicContact SD-CG 3.89Å; A176-R179 WeakPolarHBondContact O-CA 3.35Å; A176-R179 WeakPolarHBondContact O-CB 3.29Å; A176-R179 PolarHBondContact O-N 3.46Å; P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.21Å; R179-S182 PolarHBondContact O-N 3.43Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CG 3.28Å; R179-L183 WeakPolarHBondContact O-CG 3.44Å; R179-L183 PolarHBondContact O-N 3.13Å |
| 180 | V | 85.3 | Confident | 73.4 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | L161 M175 A176 P177 S182 L183 S184 L203 I214 L215 | L161-V180 HydrophobicContact CD2-CG1 4.41Å; L161-V180 HydrophobicContact CD2-CG2 3.97Å; M175-V180 HydrophobicContact CB-CG2 4.04Å; M175-V180 HydrophobicContact CG-CG2 3.83Å; M175-V180 HydrophobicContact SD-CG2 3.72Å; A176-V180 PolarHBondContact O-N 2.98Å; A176-V180 VanDerWaalsContact O-N 3.08Å; P177-V180 PolarHBondContact O-N 2.95Å; V180-S182 PolarHBondContact O-N 3.31Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.24Å; V180-S184 PolarHBondContact O-N 3.45Å; V180-L203 HydrophobicContact CG1-CD2 4.14Å; V180-I214 HydrophobicContact CB-CG2 3.85Å; V180-I214 HydrophobicContact CG1-CG2 3.88Å; V180-L215 HydrophobicContact CG1-CD2 3.78Å |
| 181 | A | 84.9 | Confident | 75.2 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P177 L183 S184 R185 I214 | P177-A181 WeakPolarHBondContact O-CB 3.26Å; P177-A181 PolarHBondContact O-N 3.06Å; A181-L183 PolarHBondContact O-N 3.03Å; A181-S184 PolarHBondContact O-N 2.96Å; A181-S184 PolarHBondContact O-OG 3.14Å; A181-R185 PolarHBondContact O-N 3.43Å; A181-I214 HydrophobicContact CB-CG2 4.31Å; A181-I214 WeakPolarHBondContact CB-O 3.3Å |
| 182 | S | 78.9 | Confident | 76.7 | Confident | 47 Ų | 47 | 49 Ų | 49 | 33% | 0.329 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 177 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | E178 R179 V180 S184 R185 V186 | E178-S182 VanDerWaalsContact O-CB 3.3Å; E178-S182 WeakPolarHBondContact O-CB 3.45Å; E178-S182 PolarHBondContact O-N 3Å; E178-S182 PolarHBondContact O-OG 3.28Å; R179-S182 PolarHBondContact O-N 3.43Å; V180-S182 PolarHBondContact O-N 3.31Å; S182-S184 VanDerWaalsContact C-N 3.35Å; S182-S184 PolarHBondContact O-N 3.34Å; S182-R185 PolarHBondContact O-N 2.96Å; S182-V186 WeakPolarHBondContact O-CG2 3.18Å; S182-V186 PolarHBondContact O-N 2.86Å |
| 183 | L | 83.3 | Confident | 78.4 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 174.1 | -75.4 | 177.5 | 0 | 0 | 0 | 111.5 | L138 L157 M175 R179 V180 A181 R185 V186 C187 L203 | L138-L183 HydrophobicContact CD2-CD2 3.16Å; L157-L183 HydrophobicContact CD1-CD2 4.32Å; L157-L183 HydrophobicContact CD2-CD1 4.43Å; M175-L183 HydrophobicContact CE-CD1 3.73Å; M175-L183 HydrophobicContact SD-CD1 3.31Å; M175-L183 WeakPolarHBondContact SD-CD1 3.46Å; M175-L183 HydrophobicContact SD-CG 4.46Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CG 3.28Å; R179-L183 WeakPolarHBondContact O-CG 3.44Å; R179-L183 PolarHBondContact O-N 3.13Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.24Å; A181-L183 PolarHBondContact O-N 3.03Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 3.41Å; L183-V186 PolarHBondContact O-N 3.27Å; L183-C187 WeakPolarHBondContact O-CB 3.32Å; L183-C187 PolarHBondContact O-N 3.26Å; L183-C187 PolarHBondContact O-SG 3.21Å; L183-L203 HydrophobicContact CB-CD2 4.26Å |
| 184 | S | 87.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | -180 | 78.3 | 0 | 0 | 0 | 0 | 111.9 | V180 A181 S182 C187 V188 Q216 F219 | V180-S184 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 2.96Å; A181-S184 PolarHBondContact O-OG 3.14Å; S182-S184 VanDerWaalsContact C-N 3.35Å; S182-S184 PolarHBondContact O-N 3.34Å; S184-C187 PolarHBondContact O-N 3.02Å; S184-V188 WeakPolarHBondContact O-CG2 3.41Å; S184-V188 PolarHBondContact O-N 3.37Å; S184-Q216 PolarHBondContact OG-N 2.87Å; S184-F219 VanDerWaalsContact O-CD2 3.22Å; S184-F219 WeakPolarHBondContact O-CD2 3.43Å |
| 185 | R | 81.3 | Confident | 80.6 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.2 | -41.4 | 178.2 | -177.2 | 174 | 52.2 | 175.9 | -5.4 | 113.1 | A181 S182 L183 C187 V188 Q216 | A181-R185 PolarHBondContact O-N 3.43Å; S182-R185 PolarHBondContact O-N 2.96Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 3.41Å; R185-C187 PolarHBondContact O-N 3.18Å; R185-V188 WeakPolarHBondContact O-CG2 3.34Å; R185-V188 PolarHBondContact O-N 3.33Å; R185-Q216 HydrophobicContact CB-CG 4.35Å |
| 186 | V | 75.4 | Confident | 81.2 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 13% | 0.127 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.8 | -29.6 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | F134 S182 L183 P189 | F134-V186 HydrophobicContact CD2-CG1 3.69Å; F134-V186 HydrophobicContact CE2-CG1 4.13Å; S182-V186 WeakPolarHBondContact O-CG2 3.18Å; S182-V186 PolarHBondContact O-N 2.86Å; L183-V186 PolarHBondContact O-N 3.27Å; V186-P189 WeakPolarHBondContact O-CD 3.39Å; V186-P189 WeakPolarHBondContact O-CG 3.27Å |
| 187 | C | 82.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.4 | -24.5 | 178.8 | -68.8 | 0 | 0 | 0 | 0 | 113.8 | L183 S184 R185 L190 I191 L199 L203 F219 | L183-C187 WeakPolarHBondContact O-CB 3.32Å; L183-C187 PolarHBondContact O-N 3.26Å; L183-C187 PolarHBondContact O-SG 3.21Å; S184-C187 PolarHBondContact O-N 3.02Å; R185-C187 PolarHBondContact O-N 3.18Å; C187-L190 CarbonylContact O-C 3.27Å; C187-L190 WeakPolarHBondContact O-CA 3.29Å; C187-L190 PolarHBondContact O-N 3.01Å; C187-I191 WeakPolarHBondContact O-CG2 3.35Å; C187-I191 PolarHBondContact O-N 3.39Å; C187-L199 VanDerWaalsContact SG-CD2 3.55Å; C187-L203 HydrophobicContact CB-CD1 4.34Å; C187-F219 HydrophobicContact CB-CD2 4.26Å; C187-F219 HydrophobicContact CB-CE2 3.92Å |
| 188 | V | 82.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 10% | 0.097 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -46.7 | -50.4 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 113.5 | S184 R185 L190 F219 A222 | S184-V188 WeakPolarHBondContact O-CG2 3.41Å; S184-V188 PolarHBondContact O-N 3.37Å; R185-V188 WeakPolarHBondContact O-CG2 3.34Å; R185-V188 PolarHBondContact O-N 3.33Å; V188-L190 PolarHBondContact O-N 2.91Å; V188-F219 HydrophobicContact CG2-CB 4.14Å; V188-F219 HydrophobicContact CG2-CD2 4.46Å; V188-A222 HydrophobicContact CG1-CB 3.87Å |
| 189 | P | 73.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -66.3 | -20.9 | 175.8 | 20.4 | -31.7 | 0 | 0 | 0 | 115.6 | F79 A82 Y83 V186 | F79-P189 HydrophobicContact CD1-CG 4.37Å; A82-P189 HydrophobicContact CB-CB 3.92Å; Y83-P189 HydrophobicContact CD2-CB 4.17Å; Y83-P189 HydrophobicContact CE1-CB 4.37Å; Y83-P189 HydrophobicContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact CE2-CB 3.42Å; Y83-P189 VanDerWaalsContact OH-CA 3.27Å; Y83-P189 WeakPolarHBondContact OH-CA 3.43Å; Y83-P189 WeakPolarHBondContact OH-CB 3.33Å; Y83-P189 WeakPolarHBondContact OH-CD 3.3Å; V186-P189 WeakPolarHBondContact O-CD 3.39Å; V186-P189 WeakPolarHBondContact O-CG 3.27Å |
| 190 | L | 78.7 | Confident | 83.5 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -107.1 | -2.8 | -167.4 | -55.1 | 172.9 | 0 | 0 | 0 | 112.9 | A82 F134 C187 V188 T192 L193 V196 | A82-L190 HydrophobicContact CB-CD2 4.21Å; F134-L190 HydrophobicContact CB-CD1 3.72Å; F134-L190 HydrophobicContact CD2-CD1 3.15Å; F134-L190 HydrophobicContact CE2-CD1 3.87Å; F134-L190 HydrophobicContact CG-CD1 3.61Å; C187-L190 CarbonylContact O-C 3.27Å; C187-L190 WeakPolarHBondContact O-CA 3.29Å; C187-L190 PolarHBondContact O-N 3.01Å; V188-L190 PolarHBondContact O-N 2.91Å; L190-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact O-N 3.1Å; L190-L193 HydrophobicContact CB-CD1 4.14Å; L190-L193 HydrophobicContact CD2-CD1 3.73Å; L190-L193 VanDerWaalsContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CB 3.45Å; L190-L193 WeakPolarHBondContact O-CG 3.41Å; L190-L193 PolarHBondContact O-N 3.37Å; L190-V196 HydrophobicContact CB-CG1 4.42Å; L190-V196 HydrophobicContact CB-CG2 4.23Å |
| 191 | I | 84.7 | Confident | 84 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.9 | -173 | 62.7 | 174.7 | 0 | 0 | 0 | 113.1 | C187 L193 V200 F219 A222 V223 A226 I232 | C187-I191 WeakPolarHBondContact O-CG2 3.35Å; C187-I191 PolarHBondContact O-N 3.39Å; I191-L193 PolarHBondContact O-N 3.13Å; I191-V200 HydrophobicContact CB-CG2 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.2Å; I191-F219 HydrophobicContact CG2-CE2 4.25Å; I191-A222 HydrophobicContact CD1-CB 3.61Å; I191-A222 WeakPolarHBondContact CD1-O 3.23Å; I191-V223 HydrophobicContact CD1-CG2 4.5Å; I191-V223 HydrophobicContact CG2-CG2 4.05Å; I191-A226 HydrophobicContact CD1-CB 3.86Å; I191-A226 HydrophobicContact CG1-CB 4.47Å; I191-I232 WeakPolarHBondContact O-CG2 3.46Å |
| 192 | T | 81.1 | Confident | 84.3 | Confident | 49 Ų | 49 | 25.4 Ų | 25.4 | 30% | 0.301 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.5 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | L190 K231 | L190-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact O-N 3.1Å; T192-K231 HydrophobicContact CG2-CB 4.09Å; T192-K231 HydrophobicContact CG2-CD 4.28Å |
| 193 | L | 79.8 | Confident | 85 | Confident | 29 Ų | 29 | 23.1 Ų | 23.1 | 15% | 0.152 | 13% | 0.126 | C | C | . | . | trans | -84.1 | 119.1 | 175.8 | -57.4 | -177.9 | 0 | 0 | 0 | 109.6 | F127 L190 I191 D195 V196 | F127-L193 HydrophobicContact CE1-CD2 4.22Å; L190-L193 HydrophobicContact CB-CD1 4.14Å; L190-L193 HydrophobicContact CD2-CD1 3.73Å; L190-L193 VanDerWaalsContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CB 3.45Å; L190-L193 WeakPolarHBondContact O-CG 3.41Å; L190-L193 PolarHBondContact O-N 3.37Å; I191-L193 PolarHBondContact O-N 3.13Å; L193-D195 PolarHBondContact O-N 3.04Å; L193-D195 VanDerWaalsContact O-N 3.09Å; L193-V196 HydrophobicContact CB-CB 4.4Å; L193-V196 HydrophobicContact CB-CG2 3.91Å; L193-V196 HydrophobicContact CD1-CG2 4.43Å; L193-V196 WeakPolarHBondContact O-CA 3.26Å; L193-V196 WeakPolarHBondContact O-CB 3.49Å; L193-V196 PolarHBondContact O-N 3.15Å | ||
| 194 | T | 83.2 | Confident | 85.4 | Confident | 106 Ų | 106 | 22.8 Ų | 22.8 | 65% | 0.65 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.1 | -177.4 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | V196 D197 | T194-V196 PolarHBondContact O-N 2.98Å; T194-D197 PolarHBondContact O-N 3.48Å |
| 195 | D | 79.6 | Confident | 85.5 | Confident | 64 Ų | 64 | 24.5 Ų | 24.5 | 34% | 0.342 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.3 | 176.4 | -75.6 | -34.3 | 0 | 0 | 0 | 113 | L150 V154 L193 | L150-D195 HydrophobicContact CD2-CB 4.12Å; V154-D195 VanDerWaalsContact CG1-O 3.22Å; V154-D195 WeakPolarHBondContact CG1-O 3.35Å; L193-D195 PolarHBondContact O-N 3.04Å; L193-D195 VanDerWaalsContact O-N 3.09Å |
| 196 | V | 85.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -14.8 | -177.6 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | V154 L190 L193 T194 P198 L199 V200 | V154-V196 HydrophobicContact CG2-CG2 4.49Å; L190-V196 HydrophobicContact CB-CG1 4.42Å; L190-V196 HydrophobicContact CB-CG2 4.23Å; L193-V196 HydrophobicContact CB-CB 4.4Å; L193-V196 HydrophobicContact CB-CG2 3.91Å; L193-V196 HydrophobicContact CD1-CG2 4.43Å; L193-V196 WeakPolarHBondContact O-CA 3.26Å; L193-V196 WeakPolarHBondContact O-CB 3.49Å; L193-V196 PolarHBondContact O-N 3.15Å; T194-V196 PolarHBondContact O-N 2.98Å; V196-P198 VanDerWaalsContact C-N 3.32Å; V196-P198 VanDerWaalsContact O-N 3.15Å; V196-L199 HydrophobicContact CG1-CB 4.43Å; V196-L199 WeakPolarHBondContact O-CA 3.26Å; V196-L199 WeakPolarHBondContact O-CB 3.36Å; V196-L199 PolarHBondContact O-N 3.19Å; V196-V200 HydrophobicContact CG1-CG2 4.16Å; V196-V200 PolarHBondContact O-N 3.5Å |
| 197 | D | 90.6 | Very high | 85.4 | Confident | 31 Ų | 31 | 25.4 Ų | 25.4 | 17% | 0.166 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -46.2 | -45.1 | 177.9 | -73.8 | -13.9 | 0 | 0 | 0 | 113.7 | T194 L199 V200 E201 L234 | T194-D197 PolarHBondContact O-N 3.48Å; D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact O-N 3.43Å; D197-V200 PolarHBondContact O-N 3.28Å; D197-E201 WeakPolarHBondContact O-CB 3.19Å; D197-E201 PolarHBondContact O-N 3.06Å; D197-L234 HydrophobicContact CB-CD2 4.42Å |
| 198 | P | 92.3 | Very high | 84.5 | Confident | 34 Ų | 34 | 27 Ų | 27 | 22% | 0.221 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -31.1 | 179 | -22.4 | 34.4 | 0 | 0 | 0 | 113.7 | V154 L155 A158 V196 A202 | V154-P198 HydrophobicContact CG1-CB 4.08Å; V154-P198 HydrophobicContact CG1-CG 4.25Å; L155-P198 HydrophobicContact CD2-CB 4.28Å; L155-P198 HydrophobicContact CD2-CG 4.4Å; A158-P198 HydrophobicContact CB-CB 4.42Å; A158-P198 WeakPolarHBondContact CB-O 3.28Å; V196-P198 VanDerWaalsContact C-N 3.32Å; V196-P198 VanDerWaalsContact O-N 3.15Å; P198-A202 VanDerWaalsContact O-CB 3.28Å; P198-A202 WeakPolarHBondContact O-CB 3.18Å; P198-A202 PolarHBondContact O-N 2.63Å; P198-A202 VanDerWaalsContact O-N 3.07Å |
| 199 | L | 91.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.5 | -41.7 | 176.3 | 176.7 | 60.2 | 0 | 0 | 0 | 111.1 | F134 V154 L157 L161 C187 V196 D197 E201 A202 L203 | F134-L199 HydrophobicContact CE2-CD2 4.22Å; F134-L199 HydrophobicContact CZ-CD2 3.69Å; V154-L199 HydrophobicContact CG1-CB 3.86Å; L157-L199 HydrophobicContact CB-CD1 3.93Å; L157-L199 HydrophobicContact CD1-CD2 4.31Å; L161-L199 HydrophobicContact CD1-CD1 3.52Å; C187-L199 VanDerWaalsContact SG-CD2 3.55Å; V196-L199 HydrophobicContact CG1-CB 4.43Å; V196-L199 WeakPolarHBondContact O-CA 3.26Å; V196-L199 WeakPolarHBondContact O-CB 3.36Å; V196-L199 PolarHBondContact O-N 3.19Å; D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact O-N 3.43Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 3.25Å; L199-A202 PolarHBondContact O-N 2.81Å; L199-L203 HydrophobicContact CD1-CD1 4.4Å; L199-L203 HydrophobicContact CD1-CG 4.25Å; L199-L203 HydrophobicContact CG-CD1 4.2Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.36Å |
| 200 | V | 93.2 | Very high | 83 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | I191 V196 D197 A202 L203 L204 F219 V223 L234 | I191-V200 HydrophobicContact CB-CG2 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.2Å; V196-V200 HydrophobicContact CG1-CG2 4.16Å; V196-V200 PolarHBondContact O-N 3.5Å; D197-V200 PolarHBondContact O-N 3.28Å; V200-A202 PolarHBondContact O-N 3.21Å; V200-L203 PolarHBondContact O-N 3.11Å; V200-L204 HydrophobicContact CG1-CD1 4.13Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.31Å; V200-F219 HydrophobicContact CG1-CZ 4.06Å; V200-V223 HydrophobicContact CG1-CG1 4.24Å; V200-V223 HydrophobicContact CG1-CG2 3.84Å; V200-L234 HydrophobicContact CB-CD2 4.41Å; V200-L234 HydrophobicContact CG1-CD1 3.82Å; V200-L234 HydrophobicContact CG1-CD2 4.21Å |
| 201 | E | 94.7 | Very high | 82.4 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -49 | 174.6 | -171.8 | -156.3 | 126 | 0 | 0 | 111.4 | R162 D197 L199 L203 L204 I205 L234 P235 A238 | R162-E201 IonicContact CZ-OE1 2.7Å; R162-E201 IonicContact NH2-OE1 3.29Å; R162-E201 PolarHBondContact NH2-OE1 3.49Å; R162-E201 IonicContact NH2-OE2 3.37Å; D197-E201 WeakPolarHBondContact O-CB 3.19Å; D197-E201 PolarHBondContact O-N 3.06Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 3.25Å; E201-L203 PolarHBondContact O-N 2.92Å; E201-L204 PolarHBondContact O-N 2.98Å; E201-I205 HydrophobicContact CG-CD1 3.8Å; E201-I205 WeakPolarHBondContact O-CG1 3.1Å; E201-I205 PolarHBondContact O-N 3.37Å; E201-L234 HydrophobicContact CB-CD2 4.43Å; E201-P235 HydrophobicContact CG-CG 3.7Å; E201-A238 HydrophobicContact CG-CB 4.04Å |
| 202 | A | 92.4 | Very high | 81.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A158 L161 R162 P198 L199 V200 I205 C206 | A158-A202 HydrophobicContact CB-CB 3.85Å; L161-A202 HydrophobicContact CB-CB 4Å; L161-A202 HydrophobicContact CD1-CB 4.01Å; R162-A202 HydrophobicContact CG-CB 4.46Å; P198-A202 VanDerWaalsContact O-CB 3.28Å; P198-A202 WeakPolarHBondContact O-CB 3.18Å; P198-A202 PolarHBondContact O-N 2.63Å; P198-A202 VanDerWaalsContact O-N 3.07Å; L199-A202 PolarHBondContact O-N 2.81Å; V200-A202 PolarHBondContact O-N 3.21Å; A202-I205 PolarHBondContact O-N 3.32Å; A202-C206 WeakPolarHBondContact O-CB 3.37Å; A202-C206 PolarHBondContact O-N 2.97Å |
| 203 | L | 92.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 175 | -74.8 | 168 | 0 | 0 | 0 | 111 | L161 V180 L183 C187 L199 V200 E201 I205 C206 L215 F219 R245 | L161-L203 HydrophobicContact CD1-CD2 3.73Å; L161-L203 HydrophobicContact CD1-CG 3.91Å; L161-L203 HydrophobicContact CD2-CD2 4.4Å; V180-L203 HydrophobicContact CG1-CD2 4.14Å; L183-L203 HydrophobicContact CB-CD2 4.26Å; C187-L203 HydrophobicContact CB-CD1 4.34Å; L199-L203 HydrophobicContact CD1-CD1 4.4Å; L199-L203 HydrophobicContact CD1-CG 4.25Å; L199-L203 HydrophobicContact CG-CD1 4.2Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.36Å; V200-L203 PolarHBondContact O-N 3.11Å; E201-L203 PolarHBondContact O-N 2.92Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 2.9Å; L203-C206 PolarHBondContact O-N 3.2Å; L203-L215 HydrophobicContact CB-CD1 4.4Å; L203-L215 HydrophobicContact CB-CD2 4.36Å; L203-L215 HydrophobicContact CD2-CD2 3.88Å; L203-L215 WeakPolarHBondContact O-CD1 3.34Å; L203-F219 HydrophobicContact CB-CE1 4.1Å; L203-F219 HydrophobicContact CB-CZ 3.89Å; L203-F219 HydrophobicContact CD1-CE2 3.9Å; L203-F219 HydrophobicContact CD1-CZ 3.74Å; L203-F219 HydrophobicContact CG-CZ 4.48Å; L203-R245 PolarHBondContact O-NH1 3.43Å |
| 204 | L | 93.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 179.4 | -68.2 | 171.5 | 0 | 0 | 0 | 112.9 | V200 E201 F219 F220 V223 L234 A238 C241 L242 R245 | V200-L204 HydrophobicContact CG1-CD1 4.13Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.31Å; E201-L204 PolarHBondContact O-N 2.98Å; L204-F219 HydrophobicContact CD2-CE1 3.91Å; L204-F219 HydrophobicContact CG-CE1 4.28Å; L204-F220 HydrophobicContact CD2-CD1 3.99Å; L204-F220 HydrophobicContact CD2-CE1 3.99Å; L204-V223 HydrophobicContact CD1-CG1 4.04Å; L204-L234 HydrophobicContact CD1-CD1 3.71Å; L204-A238 HydrophobicContact CB-CB 4.37Å; L204-A238 HydrophobicContact CD1-CB 3.96Å; L204-C241 VanDerWaalsContact O-CB 3.26Å; L204-C241 WeakPolarHBondContact O-CB 3.37Å; L204-L242 HydrophobicContact CD2-CB 4.04Å; L204-L242 HydrophobicContact CD2-CD1 4.13Å; L204-R245 VanDerWaalsContact C-NH1 3.3Å; L204-R245 PolarHBondContact O-NH1 2.97Å |
| 205 | I | 89.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 18% | 0.179 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.6 | -26.4 | 178.5 | -64.2 | 172.9 | 0 | 0 | 0 | 111.9 | E201 A202 L203 H207 | E201-I205 HydrophobicContact CG-CD1 3.8Å; E201-I205 WeakPolarHBondContact O-CG1 3.1Å; E201-I205 PolarHBondContact O-N 3.37Å; A202-I205 PolarHBondContact O-N 3.32Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 2.9Å; I205-H207 PolarHBondContact O-CD2 3.39Å; I205-H207 VanDerWaalsContact O-CD2 3.24Å; I205-H207 PolarHBondContact O-N 3.26Å |
| 206 | C | 82.2 | Confident | 83 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | trans | -68.5 | 100.8 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | L161 A202 L203 R245 | L161-C206 HydrophobicContact CB-CB 4.48Å; L161-C206 HydrophobicContact CD2-CB 4.31Å; A202-C206 WeakPolarHBondContact O-CB 3.37Å; A202-C206 PolarHBondContact O-N 2.97Å; L203-C206 PolarHBondContact O-N 3.2Å; C206-R245 PolarHBondContact O-NH1 3.43Å; C206-R245 VanDerWaalsContact O-NH1 3.14Å; C206-R245 PolarHBondContact O-NH2 3.08Å | ||
| 207 | H | 72.1 | Confident | 83.2 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | trans | -84.7 | 121.5 | 170.1 | -69.2 | -73.9 | 0 | 0 | 0 | 110.3 | I205 | I205-H207 PolarHBondContact O-CD2 3.39Å; I205-H207 VanDerWaalsContact O-CD2 3.24Å; I205-H207 PolarHBondContact O-N 3.26Å | ||
| 208 | G | 62.5 | Low | 83.1 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | trans | -62.4 | 153.5 | 164 | 0 | 0 | 0 | 0 | 0 | 111.2 | I214 | G208-I214 VanDerWaalsContact CA-CD1 3.49Š| ||
| 209 | R | 60.4 | Low | 83.1 | Confident | 180 Ų | 180 | 53.6 Ų | 53.6 | 68% | 0.679 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -80.1 | -6.5 | 165.9 | -72.6 | -169.7 | 175.4 | -168.4 | -7.2 | 112.8 | G168 | G168-R209 VanDerWaalsContact C-NH2 3.34Å; G168-R209 PolarHBondContact O-NH2 3.49Å |
| 210 | E | 64.4 | Low | 83.2 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -76.1 | 145.2 | -177.7 | -61.7 | -167.9 | 169.4 | 0 | 0 | 109.9 | P177 Q212 | P177-E210 VanDerWaalsContact CG-OE1 3.29Å; P177-E210 WeakPolarHBondContact CG-OE1 3.44Å; E210-Q212 PolarHBondContact O-N 2.85Å |
| 211 | P | 65.1 | Low | 83.3 | Confident | 138 Ų | 138 | 58.6 Ų | 58.6 | 90% | 0.896 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -67.4 | -15.8 | 177.6 | 27.8 | -34 | 0 | 0 | 0 | 112.5 | ||
| 212 | Q | 75 | Confident | 83.1 | Confident | 154 Ų | 154 | 57.8 Ų | 57.8 | 72% | 0.72 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -102.3 | 148.7 | 179.5 | -65.8 | -178.1 | -2.3 | 0 | 0 | 110.7 | E210 I214 | E210-Q212 PolarHBondContact O-N 2.85Å; Q212-I214 PolarHBondContact O-N 3Å |
| 213 | E | 85.7 | Confident | 83.2 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | trans | -68.6 | 127.7 | 175.9 | -177.4 | 48.3 | -94.1 | 0 | 0 | 110.1 | L215 F220 R245 | E213-L215 PolarHBondContact OE1-N 3.43Å; E213-F220 HydrophobicContact CG-CE2 3.6Å; E213-F220 HydrophobicContact CG-CZ 3.97Å; E213-R245 VanDerWaalsContact CD-NH2 3.34Å; E213-R245 IonicContact OE1-CZ 2.99Å; E213-R245 IonicContact OE1-NE 3.59Å; E213-R245 IonicContact OE1-NH2 3.78Å; E213-R245 PolarHBondContact OE1-NH2 3.08Å; E213-R245 IonicContact OE2-CZ 2.64Å; E213-R245 IonicContact OE2-NE 3.31Å; E213-R245 PolarHBondContact OE2-NE 2.81Å; E213-R245 IonicContact OE2-NH2 3.27Å; E213-R245 PolarHBondContact OE2-NH2 3.44Å | ||
| 214 | I | 86 | Confident | 83.4 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | trans | -87.2 | -33.3 | -175.1 | -60.5 | 176.9 | 0 | 0 | 0 | 110.6 | P177 V180 A181 G208 Q212 | P177-I214 HydrophobicContact CB-CD1 4.18Å; P177-I214 HydrophobicContact CB-CG2 4.24Å; P177-I214 VanDerWaalsContact O-CG2 3.28Å; P177-I214 WeakPolarHBondContact O-CG2 3.35Å; V180-I214 HydrophobicContact CB-CG2 3.85Å; V180-I214 HydrophobicContact CG1-CG2 3.88Å; A181-I214 HydrophobicContact CB-CG2 4.31Å; A181-I214 WeakPolarHBondContact CB-O 3.3Å; G208-I214 VanDerWaalsContact CA-CD1 3.49Å; Q212-I214 PolarHBondContact O-N 3Å | ||
| 215 | L | 89.5 | Confident | 83.4 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -76.4 | 145.8 | -179.9 | -57.1 | -179.4 | 0 | 0 | 0 | 110.6 | V180 L203 E213 F219 F220 R245 | V180-L215 HydrophobicContact CG1-CD2 3.78Å; L203-L215 HydrophobicContact CB-CD1 4.4Å; L203-L215 HydrophobicContact CB-CD2 4.36Å; L203-L215 HydrophobicContact CD2-CD2 3.88Å; L203-L215 WeakPolarHBondContact O-CD1 3.34Å; E213-L215 PolarHBondContact OE1-N 3.43Å; L215-F219 HydrophobicContact CB-CD1 4.46Å; L215-F219 HydrophobicContact CD1-CD1 4.06Å; L215-F219 HydrophobicContact CD1-CE1 3.99Å; L215-F220 HydrophobicContact CB-CE1 4.36Å; L215-F220 HydrophobicContact CB-CE2 3.69Å; L215-F220 HydrophobicContact CB-CZ 3.62Å; L215-F220 HydrophobicContact CD1-CE1 3.71Å; L215-F220 HydrophobicContact CD1-CZ 3.64Å; L215-F220 HydrophobicContact CG-CZ 4.11Å; L215-R245 VanDerWaalsContact CD1-NH2 3.3Å |
| 216 | Q | 85.2 | Confident | 83.6 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | trans | -71 | 139.9 | 178.4 | -60.9 | -60.1 | -75 | 0 | 0 | 111 | S184 R185 E218 F219 | S184-Q216 PolarHBondContact OG-N 2.87Å; R185-Q216 HydrophobicContact CB-CG 4.35Å; Q216-E218 WeakPolarHBondContact CB-OE2 3.41Å; Q216-E218 PolarHBondContact O-N 3.4Å; Q216-F219 WeakPolarHBondContact O-CB 3.34Å; Q216-F219 PolarHBondContact O-N 3.43Å | ||
| 217 | P | 90 | Very high | 84.2 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.5 | -39.1 | 177 | -27.3 | 35.5 | 0 | 0 | 0 | 113.5 | F219 F220 E221 | P217-F219 PolarHBondContact O-N 3.11Å; P217-F220 PolarHBondContact O-N 3.5Å; P217-E221 PolarHBondContact O-N 2.85Å |
| 218 | E | 89.2 | Confident | 85.2 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -30.8 | 179.8 | -59.8 | 77.4 | -171.8 | 0 | 0 | 112 | Q216 A222 | Q216-E218 WeakPolarHBondContact CB-OE2 3.41Å; Q216-E218 PolarHBondContact O-N 3.4Å; E218-A222 WeakPolarHBondContact O-CB 3.18Å; E218-A222 PolarHBondContact O-N 2.97Å |
| 219 | F | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -46.4 | 174 | 174.4 | -98 | 0 | 0 | 0 | 111.3 | S184 C187 V188 I191 V200 L203 L204 L215 Q216 P217 E221 A222 V223 | S184-F219 VanDerWaalsContact O-CD2 3.22Å; S184-F219 WeakPolarHBondContact O-CD2 3.43Å; C187-F219 HydrophobicContact CB-CD2 4.26Å; C187-F219 HydrophobicContact CB-CE2 3.92Å; V188-F219 HydrophobicContact CG2-CB 4.14Å; V188-F219 HydrophobicContact CG2-CD2 4.46Å; I191-F219 HydrophobicContact CG2-CE2 4.25Å; V200-F219 HydrophobicContact CG1-CZ 4.06Å; L203-F219 HydrophobicContact CB-CE1 4.1Å; L203-F219 HydrophobicContact CB-CZ 3.89Å; L203-F219 HydrophobicContact CD1-CE2 3.9Å; L203-F219 HydrophobicContact CD1-CZ 3.74Å; L203-F219 HydrophobicContact CG-CZ 4.48Å; L204-F219 HydrophobicContact CD2-CE1 3.91Å; L204-F219 HydrophobicContact CG-CE1 4.28Å; L215-F219 HydrophobicContact CB-CD1 4.46Å; L215-F219 HydrophobicContact CD1-CD1 4.06Å; L215-F219 HydrophobicContact CD1-CE1 3.99Å; Q216-F219 WeakPolarHBondContact O-CB 3.34Å; Q216-F219 PolarHBondContact O-N 3.43Å; P217-F219 PolarHBondContact O-N 3.11Å; F219-E221 PolarHBondContact O-N 3.07Å; F219-A222 PolarHBondContact O-N 3.1Å; F219-V223 HydrophobicContact CD1-CG2 4.39Å; F219-V223 HydrophobicContact CD2-CG2 4.2Å; F219-V223 HydrophobicContact CE1-CG2 4.06Å; F219-V223 HydrophobicContact CE2-CG2 3.85Å; F219-V223 HydrophobicContact CG-CG2 4.46Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 WeakPolarHBondContact O-CB 3.33Å; F219-V223 WeakPolarHBondContact O-CG2 3.25Å; F219-V223 PolarHBondContact O-N 3.15Å |
| 220 | F | 94.6 | Very high | 88 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 178 | -66 | -61.6 | 0 | 0 | 0 | 112.3 | L204 E213 L215 P217 N224 L242 R245 H246 S249 | L204-F220 HydrophobicContact CD2-CD1 3.99Å; L204-F220 HydrophobicContact CD2-CE1 3.99Å; E213-F220 HydrophobicContact CG-CE2 3.6Å; E213-F220 HydrophobicContact CG-CZ 3.97Å; L215-F220 HydrophobicContact CB-CE1 4.36Å; L215-F220 HydrophobicContact CB-CE2 3.69Å; L215-F220 HydrophobicContact CB-CZ 3.62Å; L215-F220 HydrophobicContact CD1-CE1 3.71Å; L215-F220 HydrophobicContact CD1-CZ 3.64Å; L215-F220 HydrophobicContact CG-CZ 4.11Å; P217-F220 PolarHBondContact O-N 3.5Å; F220-N224 VanDerWaalsContact O-CB 3.25Å; F220-N224 WeakPolarHBondContact O-CB 3.45Å; F220-N224 PolarHBondContact O-N 2.68Å; F220-L242 HydrophobicContact CB-CD1 3.82Å; F220-L242 HydrophobicContact CD1-CD1 3.49Å; F220-L242 VanDerWaalsContact CD1-CD1 3.49Å; F220-L242 HydrophobicContact CE1-CD1 4.46Å; F220-L242 HydrophobicContact CG-CD1 4.1Å; F220-R245 HydrophobicContact CE1-CB 4.17Å; F220-R245 HydrophobicContact CZ-CB 4.07Å; F220-H246 HydrophobicContact CB-CB 3.77Å; F220-H246 HydrophobicContact CD1-CB 4.16Å; F220-H246 HydrophobicContact CD2-CB 3.95Å; F220-H246 AromaticContact CD2-CD2 4Å; F220-H246 AromaticContact CD2-CG 3.97Å; F220-H246 HydrophobicContact CG-CB 3.72Å; F220-H246 AromaticContact CG-CG 3.9Å; F220-S249 PolarHBondContact O-OG 2.83Å |
| 221 | E | 93.8 | Very high | 89.2 | Confident | 103 Ų | 103 | 55.3 Ų | 55.3 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 176.5 | -70.5 | -177.8 | -177.5 | 0 | 0 | 111.2 | P217 F219 V223 N224 E225 | P217-E221 PolarHBondContact O-N 2.85Å; F219-E221 PolarHBondContact O-N 3.07Å; E221-V223 PolarHBondContact O-N 2.86Å; E221-N224 PolarHBondContact O-N 2.84Å; E221-E225 WeakPolarHBondContact O-CG 3.4Å; E221-E225 PolarHBondContact O-N 3.32Å |
| 222 | A | 90.7 | Very high | 90.5 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V188 I191 E218 F219 E225 A226 | V188-A222 HydrophobicContact CG1-CB 3.87Å; I191-A222 HydrophobicContact CD1-CB 3.61Å; I191-A222 WeakPolarHBondContact CD1-O 3.23Å; E218-A222 WeakPolarHBondContact O-CB 3.18Å; E218-A222 PolarHBondContact O-N 2.97Å; F219-A222 PolarHBondContact O-N 3.1Å; A222-E225 PolarHBondContact O-N 3.49Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.4Å |
| 223 | V | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I191 V200 L204 F219 E221 A226 I227 I232 L234 L242 | I191-V223 HydrophobicContact CD1-CG2 4.5Å; I191-V223 HydrophobicContact CG2-CG2 4.05Å; V200-V223 HydrophobicContact CG1-CG1 4.24Å; V200-V223 HydrophobicContact CG1-CG2 3.84Å; L204-V223 HydrophobicContact CD1-CG1 4.04Å; F219-V223 HydrophobicContact CD1-CG2 4.39Å; F219-V223 HydrophobicContact CD2-CG2 4.2Å; F219-V223 HydrophobicContact CE1-CG2 4.06Å; F219-V223 HydrophobicContact CE2-CG2 3.85Å; F219-V223 HydrophobicContact CG-CG2 4.46Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 WeakPolarHBondContact O-CB 3.33Å; F219-V223 WeakPolarHBondContact O-CG2 3.25Å; F219-V223 PolarHBondContact O-N 3.15Å; E221-V223 PolarHBondContact O-N 2.86Å; V223-A226 PolarHBondContact O-N 3.43Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.49Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 2.97Å; V223-I232 HydrophobicContact CG1-CD1 4.06Å; V223-L234 HydrophobicContact CG1-CD1 4.03Å; V223-L242 HydrophobicContact CG1-CD2 4.14Å |
| 224 | N | 96.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.7 | -166 | 63.7 | 0 | 0 | 0 | 111.4 | F220 E221 A226 I227 L228 L242 W243 S249 | F220-N224 VanDerWaalsContact O-CB 3.25Å; F220-N224 WeakPolarHBondContact O-CB 3.45Å; F220-N224 PolarHBondContact O-N 2.68Å; E221-N224 PolarHBondContact O-N 2.84Å; N224-A226 VanDerWaalsContact C-N 3.32Å; N224-A226 PolarHBondContact O-N 3.46Å; N224-I227 PolarHBondContact O-N 2.97Å; N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.23Å; N224-L228 PolarHBondContact O-N 2.79Å; N224-L242 HydrophobicContact CB-CD2 4.05Å; N224-W243 PolarHBondContact OD1-NE1 3.27Å; N224-S249 WeakPolarHBondContact CB-OG 3.46Å; N224-S249 VanDerWaalsContact CG-CB 3.49Å; N224-S249 PolarHBondContact ND2-O 3.04Å; N224-S249 PolarHBondContact OD1-O 3.02Å |
| 225 | E | 94.1 | Very high | 92 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 174.2 | -73.7 | -50.6 | 107.6 | 0 | 0 | 112.2 | E221 A222 I227 L228 L229 K252 | E221-E225 WeakPolarHBondContact O-CG 3.4Å; E221-E225 PolarHBondContact O-N 3.32Å; A222-E225 PolarHBondContact O-N 3.49Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 3.4Å; E225-L228 PolarHBondContact O-N 3.32Å; E225-L229 VanDerWaalsContact O-CB 3.32Å; E225-L229 WeakPolarHBondContact O-CB 3.27Å; E225-L229 VanDerWaalsContact O-CG 3.29Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.98Å; E225-K252 WeakPolarHBondContact OE1-CD 3.15Å; E225-K252 WeakPolarHBondContact OE1-CE 3.49Å; E225-K252 IonicContact OE1-NZ 3.91Å; E225-K252 PolarHBondContact OE1-NZ 3.4Å; E225-K252 IonicContact OE2-NZ 3.72Å; E225-K252 PolarHBondContact OE2-NZ 3.43Å |
| 226 | A | 92.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I191 A222 V223 N224 K230 K231 I232 | I191-A226 HydrophobicContact CD1-CB 3.86Å; I191-A226 HydrophobicContact CG1-CB 4.47Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.4Å; V223-A226 PolarHBondContact O-N 3.43Å; N224-A226 VanDerWaalsContact C-N 3.32Å; N224-A226 PolarHBondContact O-N 3.46Å; A226-K230 PolarHBondContact O-N 2.98Å; A226-K230 VanDerWaalsContact O-N 3.16Å; A226-K231 HydrophobicContact CB-CB 4.33Å; A226-K231 PolarHBondContact O-N 2.88Å; A226-I232 HydrophobicContact CB-CB 4.48Å; A226-I232 HydrophobicContact CB-CD1 3.9Å; A226-I232 HydrophobicContact CB-CG1 3.86Å; A226-I232 HydrophobicContact CB-CG2 3.94Å; A226-I232 PolarHBondContact O-N 3.43Å |
| 227 | I | 94.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -48 | 173.9 | -67 | 164.2 | 0 | 0 | 0 | 110.9 | V223 N224 E225 L229 K230 I232 L234 V239 L242 | V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.49Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 2.97Å; N224-I227 PolarHBondContact O-N 2.97Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 3.4Å; I227-L229 VanDerWaalsContact C-N 3.32Å; I227-L229 PolarHBondContact O-N 2.94Å; I227-K230 PolarHBondContact O-N 3.28Å; I227-I232 HydrophobicContact CG1-CD1 3.83Å; I227-I232 HydrophobicContact CG1-CG1 3.83Å; I227-L234 HydrophobicContact CD1-CD1 4.25Å; I227-V239 HydrophobicContact CD1-CG2 4.29Å; I227-L242 HydrophobicContact CD1-CD2 3.59Å |
| 228 | L | 93.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | -178 | -67.2 | 177.7 | 0 | 0 | 0 | 111.7 | N224 E225 K230 K252 A253 H256 | N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.23Å; N224-L228 PolarHBondContact O-N 2.79Å; E225-L228 PolarHBondContact O-N 3.32Å; L228-K230 PolarHBondContact O-N 3.44Å; L228-K252 HydrophobicContact CD1-CG 4.35Å; L228-A253 HydrophobicContact CD2-CB 3.94Å; L228-H256 HydrophobicContact CD1-CB 4.25Å; L228-H256 HydrophobicContact CD2-CB 4.46Å |
| 229 | L | 91.1 | Very high | 93 | Very high | 97 Ų | 97 | 41.5 Ų | 41.5 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 2.3 | 174.9 | -62.8 | 176.5 | 0 | 0 | 0 | 113.7 | E225 I227 K231 | E225-L229 VanDerWaalsContact O-CB 3.32Å; E225-L229 WeakPolarHBondContact O-CB 3.27Å; E225-L229 VanDerWaalsContact O-CG 3.29Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.98Å; I227-L229 VanDerWaalsContact C-N 3.32Å; I227-L229 PolarHBondContact O-N 2.94Å; L229-K231 HydrophobicContact CB-CD 4.3Å; L229-K231 HydrophobicContact CB-CG 4.01Å; L229-K231 HydrophobicContact CD1-CD 4.45Å; L229-K231 PolarHBondContact O-N 3.48Å |
| 230 | K | 91.2 | Very high | 93.1 | Very high | 126 Ų | 126 | 42.7 Ų | 42.7 | 55% | 0.548 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.7 | -178.4 | -54.2 | -65 | -178.2 | -174.7 | 0 | 113.6 | A226 I227 L228 D278 | A226-K230 PolarHBondContact O-N 2.98Å; A226-K230 VanDerWaalsContact O-N 3.16Å; I227-K230 PolarHBondContact O-N 3.28Å; L228-K230 PolarHBondContact O-N 3.44Å; K230-D278 PolarHBondContact NZ-O 2.89Å |
| 231 | K | 89.7 | Confident | 93.1 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | trans | -82.6 | -18.1 | 176.3 | -67.2 | -173.5 | 173.2 | -171.1 | 0 | 112.9 | E85 T192 A226 L229 | E85-K231 IonicContact OE1-NZ 3.63Å; E85-K231 PolarHBondContact OE1-NZ 3.36Å; T192-K231 HydrophobicContact CG2-CB 4.09Å; T192-K231 HydrophobicContact CG2-CD 4.28Å; A226-K231 HydrophobicContact CB-CB 4.33Å; A226-K231 PolarHBondContact O-N 2.88Å; L229-K231 HydrophobicContact CB-CD 4.3Å; L229-K231 HydrophobicContact CB-CG 4.01Å; L229-K231 HydrophobicContact CD1-CD 4.45Å; L229-K231 PolarHBondContact O-N 3.48Å | ||
| 232 | I | 91.5 | Very high | 93.2 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | trans | -132.8 | 156.6 | 175.9 | 67.2 | 174.5 | 0 | 0 | 0 | 110.8 | I191 V223 A226 I227 L234 | I191-I232 WeakPolarHBondContact O-CG2 3.46Å; V223-I232 HydrophobicContact CG1-CD1 4.06Å; A226-I232 HydrophobicContact CB-CB 4.48Å; A226-I232 HydrophobicContact CB-CD1 3.9Å; A226-I232 HydrophobicContact CB-CG1 3.86Å; A226-I232 HydrophobicContact CB-CG2 3.94Å; A226-I232 PolarHBondContact O-N 3.43Å; I227-I232 HydrophobicContact CG1-CD1 3.83Å; I227-I232 HydrophobicContact CG1-CG1 3.83Å; I232-L234 HydrophobicContact CD1-CD1 3.64Å; I232-L234 HydrophobicContact CD1-CG 3.9Å; I232-L234 HydrophobicContact CG1-CG 4.36Å | ||
| 233 | S | 90.9 | Very high | 93.4 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 73% | 0.727 | 21% | 0.206 | S | C | * | . | trans | -127.7 | 89.1 | 179.4 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 234 | L | 93.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | trans | -95.6 | 151.4 | 178.9 | -62.6 | 177.7 | 0 | 0 | 0 | 112.1 | D197 V200 E201 L204 V223 I227 I232 A238 | D197-L234 HydrophobicContact CB-CD2 4.42Å; V200-L234 HydrophobicContact CB-CD2 4.41Å; V200-L234 HydrophobicContact CG1-CD1 3.82Å; V200-L234 HydrophobicContact CG1-CD2 4.21Å; E201-L234 HydrophobicContact CB-CD2 4.43Å; L204-L234 HydrophobicContact CD1-CD1 3.71Å; V223-L234 HydrophobicContact CG1-CD1 4.03Å; I227-L234 HydrophobicContact CD1-CD1 4.25Å; I232-L234 HydrophobicContact CD1-CD1 3.64Å; I232-L234 HydrophobicContact CD1-CG 3.9Å; I232-L234 HydrophobicContact CG1-CG 4.36Å; L234-A238 HydrophobicContact CB-CB 4.24Å | ||
| 235 | P | 93.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 43 Ų | 43 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | trans | -63.8 | 151.1 | 172.9 | 27.8 | -34.6 | 0 | 0 | 0 | 111.4 | E201 S237 A238 V239 | E201-P235 HydrophobicContact CG-CG 3.7Å; P235-S237 PolarHBondContact O-N 2.67Å; P235-S237 VanDerWaalsContact O-N 3.1Å; P235-A238 HydrophobicContact CG-CB 4.17Å; P235-A238 WeakPolarHBondContact O-CB 3.41Å; P235-A238 PolarHBondContact O-N 3.4Å; P235-V239 PolarHBondContact O-N 3.4Å | ||
| 236 | M | 92.8 | Very high | 93.1 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56 | -32.8 | -177.3 | -170.3 | 60.8 | 60.4 | 0 | 0 | 113.3 | A238 V239 V240 Q283 A284 | M236-A238 VanDerWaalsContact C-N 3.28Å; M236-A238 PolarHBondContact O-N 2.85Å; M236-V239 PolarHBondContact O-N 2.92Å; M236-V239 HydrophobicContact SD-CB 4.37Å; M236-V240 HydrophobicContact CG-CG2 4.36Å; M236-V240 WeakPolarHBondContact O-CG2 3.48Å; M236-V240 PolarHBondContact O-N 3.28Å; M236-Q283 HydrophobicContact CE-CB 3.64Å; M236-Q283 HydrophobicContact CE-CG 4.19Å; M236-Q283 HydrophobicContact CG-CB 4.32Å; M236-Q283 HydrophobicContact SD-CB 3.89Å; M236-A284 HydrophobicContact SD-CB 4.4Å |
| 237 | S | 91.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.1 | -39.8 | 174.8 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | P235 C241 | P235-S237 PolarHBondContact O-N 2.67Å; P235-S237 VanDerWaalsContact O-N 3.1Å; S237-C241 PolarHBondContact O-N 3.31Å; S237-C241 PolarHBondContact O-SG 2.93Å |
| 238 | A | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E201 L204 L234 P235 M236 C241 L242 | E201-A238 HydrophobicContact CG-CB 4.04Å; L204-A238 HydrophobicContact CB-CB 4.37Å; L204-A238 HydrophobicContact CD1-CB 3.96Å; L234-A238 HydrophobicContact CB-CB 4.24Å; P235-A238 HydrophobicContact CG-CB 4.17Å; P235-A238 WeakPolarHBondContact O-CB 3.41Å; P235-A238 PolarHBondContact O-N 3.4Å; M236-A238 VanDerWaalsContact C-N 3.28Å; M236-A238 PolarHBondContact O-N 2.85Å; A238-C241 PolarHBondContact O-N 3Å; A238-L242 WeakPolarHBondContact O-CB 3.33Å; A238-L242 PolarHBondContact O-N 3.01Å |
| 239 | V | 95.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | I227 P235 M236 L242 W243 | I227-V239 HydrophobicContact CD1-CG2 4.29Å; P235-V239 PolarHBondContact O-N 3.4Å; M236-V239 PolarHBondContact O-N 2.92Å; M236-V239 HydrophobicContact SD-CB 4.37Å; V239-L242 WeakPolarHBondContact O-CB 3.4Å; V239-L242 PolarHBondContact O-N 3.19Å; V239-W243 HydrophobicContact CG1-CD2 3.96Å; V239-W243 HydrophobicContact CG1-CE3 3.94Å; V239-W243 HydrophobicContact CG1-CH2 3.7Å; V239-W243 HydrophobicContact CG1-CZ2 3.71Å; V239-W243 HydrophobicContact CG1-CZ3 3.81Å; V239-W243 PolarHBondContact O-N 2.77Å |
| 240 | V | 94.2 | Very high | 93.8 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.4 | 169 | 0 | 0 | 0 | 0 | 110.7 | M236 L242 W243 L244 A284 H287 I290 | M236-V240 HydrophobicContact CG-CG2 4.36Å; M236-V240 WeakPolarHBondContact O-CG2 3.48Å; M236-V240 PolarHBondContact O-N 3.28Å; V240-L242 PolarHBondContact O-N 3.45Å; V240-W243 PolarHBondContact O-N 2.88Å; V240-L244 HydrophobicContact CG1-CD1 3.68Å; V240-L244 HydrophobicContact CG1-CG 4.22Å; V240-L244 WeakPolarHBondContact O-CB 3.35Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.43Å; V240-L244 PolarHBondContact O-N 3.35Å; V240-A284 HydrophobicContact CG2-CB 3.87Å; V240-H287 HydrophobicContact CG1-CB 4.31Å; V240-I290 HydrophobicContact CB-CD1 4.26Å; V240-I290 HydrophobicContact CG1-CD1 3.93Å; V240-I290 HydrophobicContact CG2-CD1 4.24Å |
| 241 | C | 94 | Very high | 94 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 176.4 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | L204 S237 A238 L244 R245 | L204-C241 VanDerWaalsContact O-CB 3.26Å; L204-C241 WeakPolarHBondContact O-CB 3.37Å; S237-C241 PolarHBondContact O-N 3.31Å; S237-C241 PolarHBondContact O-SG 2.93Å; A238-C241 PolarHBondContact O-N 3Å; C241-L244 PolarHBondContact O-N 3.36Å; C241-R245 VanDerWaalsContact O-CB 3.32Å; C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CD 3.5Å; C241-R245 WeakPolarHBondContact O-CG 3.25Å; C241-R245 PolarHBondContact O-N 2.95Å |
| 242 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.3 | -54.4 | 174.5 | 169.6 | 64.4 | 0 | 0 | 0 | 110.9 | L204 F220 V223 N224 I227 A238 V239 V240 L244 R245 H246 | L204-L242 HydrophobicContact CD2-CB 4.04Å; L204-L242 HydrophobicContact CD2-CD1 4.13Å; F220-L242 HydrophobicContact CB-CD1 3.82Å; F220-L242 HydrophobicContact CD1-CD1 3.49Å; F220-L242 VanDerWaalsContact CD1-CD1 3.49Å; F220-L242 HydrophobicContact CE1-CD1 4.46Å; F220-L242 HydrophobicContact CG-CD1 4.1Å; V223-L242 HydrophobicContact CG1-CD2 4.14Å; N224-L242 HydrophobicContact CB-CD2 4.05Å; I227-L242 HydrophobicContact CD1-CD2 3.59Å; A238-L242 WeakPolarHBondContact O-CB 3.33Å; A238-L242 PolarHBondContact O-N 3.01Å; V239-L242 WeakPolarHBondContact O-CB 3.4Å; V239-L242 PolarHBondContact O-N 3.19Å; V240-L242 PolarHBondContact O-N 3.45Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 2.92Å; L242-R245 PolarHBondContact O-N 2.77Å; L242-H246 PolarHBondContact O-N 3.34Å |
| 243 | W | 96.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.4 | -24.9 | -175.7 | -66.8 | -18.3 | 0 | 0 | 0 | 113.9 | N224 V239 V240 L250 A253 L281 A284 I290 | N224-W243 PolarHBondContact OD1-NE1 3.27Å; V239-W243 HydrophobicContact CG1-CD2 3.96Å; V239-W243 HydrophobicContact CG1-CE3 3.94Å; V239-W243 HydrophobicContact CG1-CH2 3.7Å; V239-W243 HydrophobicContact CG1-CZ2 3.71Å; V239-W243 HydrophobicContact CG1-CZ3 3.81Å; V239-W243 PolarHBondContact O-N 2.77Å; V240-W243 PolarHBondContact O-N 2.88Å; W243-L250 HydrophobicContact CB-CB 4Å; W243-L250 HydrophobicContact CB-CD1 4.25Å; W243-L250 HydrophobicContact CB-CD2 4.42Å; W243-L250 HydrophobicContact CB-CG 4.45Å; W243-L250 HydrophobicContact CD2-CD1 3.92Å; W243-L250 HydrophobicContact CE3-CD1 3.97Å; W243-L250 HydrophobicContact CG-CB 4.05Å; W243-L250 HydrophobicContact CG-CD1 4.04Å; W243-A253 HydrophobicContact CZ2-CB 3.83Å; W243-L281 HydrophobicContact CE3-CD2 4.36Å; W243-L281 HydrophobicContact CH2-CD2 3.9Å; W243-L281 HydrophobicContact CH2-CG 4.23Å; W243-L281 HydrophobicContact CZ3-CD2 3.77Å; W243-L281 HydrophobicContact CZ3-CG 4.36Å; W243-A284 HydrophobicContact CE3-CB 3.46Å; W243-A284 VanDerWaalsContact CE3-CB 3.46Å; W243-A284 HydrophobicContact CZ3-CB 3.32Å; W243-I290 HydrophobicContact CB-CD1 4.04Å; W243-I290 HydrophobicContact CB-CG1 4.46Å; W243-I290 HydrophobicContact CE3-CD1 4.45Å; W243-I290 HydrophobicContact CE3-CG2 4.48Å |
| 244 | L | 92.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 37% | 0.372 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -74.6 | -30.9 | 171.6 | -72.9 | 175.5 | 0 | 0 | 0 | 113.3 | V240 C241 L242 A289 I290 | V240-L244 HydrophobicContact CG1-CD1 3.68Å; V240-L244 HydrophobicContact CG1-CG 4.22Å; V240-L244 WeakPolarHBondContact O-CB 3.35Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.43Å; V240-L244 PolarHBondContact O-N 3.35Å; C241-L244 PolarHBondContact O-N 3.36Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 2.92Å; L244-A289 HydrophobicContact CD2-CB 3.76Å; L244-I290 HydrophobicContact CD2-CD1 4.3Å; L244-I290 HydrophobicContact CD2-CG1 3.79Å; L244-I290 HydrophobicContact CG-CD1 4.14Å; L244-I290 HydrophobicContact CG-CG1 4.17Å |
| 245 | R | 92.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 38 Ų | 38 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -91.9 | -29.9 | -176 | -68.4 | 170.7 | 70.9 | 173.8 | 4.3 | 112.8 | L203 L204 C206 E213 L215 F220 C241 L242 | L203-R245 PolarHBondContact O-NH1 3.43Å; L204-R245 VanDerWaalsContact C-NH1 3.3Å; L204-R245 PolarHBondContact O-NH1 2.97Å; C206-R245 PolarHBondContact O-NH1 3.43Å; C206-R245 VanDerWaalsContact O-NH1 3.14Å; C206-R245 PolarHBondContact O-NH2 3.08Å; E213-R245 VanDerWaalsContact CD-NH2 3.34Å; E213-R245 IonicContact OE1-CZ 2.99Å; E213-R245 IonicContact OE1-NE 3.59Å; E213-R245 IonicContact OE1-NH2 3.78Å; E213-R245 PolarHBondContact OE1-NH2 3.08Å; E213-R245 IonicContact OE2-CZ 2.64Å; E213-R245 IonicContact OE2-NE 3.31Å; E213-R245 PolarHBondContact OE2-NE 2.81Å; E213-R245 IonicContact OE2-NH2 3.27Å; E213-R245 PolarHBondContact OE2-NH2 3.44Å; L215-R245 VanDerWaalsContact CD1-NH2 3.3Å; F220-R245 HydrophobicContact CE1-CB 4.17Å; F220-R245 HydrophobicContact CZ-CB 4.07Å; C241-R245 VanDerWaalsContact O-CB 3.32Å; C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CD 3.5Å; C241-R245 WeakPolarHBondContact O-CG 3.25Å; C241-R245 PolarHBondContact O-N 2.95Å; L242-R245 PolarHBondContact O-N 2.77Å |
| 246 | H | 93.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | trans | -130.3 | 91.3 | -176 | -165.2 | -117.7 | 0 | 0 | 0 | 111.2 | F220 L242 P248 S249 | F220-H246 HydrophobicContact CB-CB 3.77Å; F220-H246 HydrophobicContact CD1-CB 4.16Å; F220-H246 HydrophobicContact CD2-CB 3.95Å; F220-H246 AromaticContact CD2-CD2 4Å; F220-H246 AromaticContact CD2-CG 3.97Å; F220-H246 HydrophobicContact CG-CB 3.72Å; F220-H246 AromaticContact CG-CG 3.9Å; L242-H246 PolarHBondContact O-N 3.34Å; H246-P248 VanDerWaalsContact C-CD 3.46Å; H246-S249 PolarHBondContact ND1-N 2.86Å; H246-S249 PolarHBondContact ND1-OG 3.11Å; H246-S249 WeakPolarHBondContact O-CB 3.47Å; H246-S249 PolarHBondContact O-N 2.96Å; H246-S249 VanDerWaalsContact O-N 3.08Å | ||
| 247 | L | 94.3 | Very high | 95 | Very high | 82 Ų | 82 | 34.5 Ų | 34.5 | 43% | 0.429 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.7 | -42.8 | 178.7 | 179 | 62.7 | 0 | 0 | 0 | 113.5 | S249 L250 E251 V293 | L247-S249 PolarHBondContact O-N 3.18Å; L247-S249 VanDerWaalsContact O-N 3.15Å; L247-L250 WeakPolarHBondContact O-CB 3.34Å; L247-L250 PolarHBondContact O-N 3.33Å; L247-E251 HydrophobicContact CD1-CG 4.22Å; L247-E251 HydrophobicContact CG-CG 4.25Å; L247-E251 PolarHBondContact O-N 3.04Å; L247-V293 HydrophobicContact CD1-CB 4.45Å; L247-V293 HydrophobicContact CD1-CG1 3.65Å; L247-V293 HydrophobicContact CD1-CG2 3.97Å |
| 248 | P | 96 | Very high | 95 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 42% | 0.416 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.1 | -30.9 | 177.6 | -25.1 | 34.5 | 0 | 0 | 0 | 113.7 | H246 K252 | H246-P248 VanDerWaalsContact C-CD 3.46Å; P248-K252 VanDerWaalsContact O-CB 3.28Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 PolarHBondContact O-N 3.4Å |
| 249 | S | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 174.9 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | F220 N224 H246 L247 A253 | F220-S249 PolarHBondContact O-OG 2.83Å; N224-S249 WeakPolarHBondContact CB-OG 3.46Å; N224-S249 VanDerWaalsContact CG-CB 3.49Å; N224-S249 PolarHBondContact ND2-O 3.04Å; N224-S249 PolarHBondContact OD1-O 3.02Å; H246-S249 PolarHBondContact ND1-N 2.86Å; H246-S249 PolarHBondContact ND1-OG 3.11Å; H246-S249 WeakPolarHBondContact O-CB 3.47Å; H246-S249 PolarHBondContact O-N 2.96Å; H246-S249 VanDerWaalsContact O-N 3.08Å; L247-S249 PolarHBondContact O-N 3.18Å; L247-S249 VanDerWaalsContact O-N 3.15Å; S249-A253 PolarHBondContact O-N 3.26Å |
| 250 | L | 97.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.3 | -44.5 | 176.8 | 178 | 55.6 | 0 | 0 | 0 | 111.4 | W243 L247 K252 A253 M254 L281 I290 V293 V294 | W243-L250 HydrophobicContact CB-CB 4Å; W243-L250 HydrophobicContact CB-CD1 4.25Å; W243-L250 HydrophobicContact CB-CD2 4.42Å; W243-L250 HydrophobicContact CB-CG 4.45Å; W243-L250 HydrophobicContact CD2-CD1 3.92Å; W243-L250 HydrophobicContact CE3-CD1 3.97Å; W243-L250 HydrophobicContact CG-CB 4.05Å; W243-L250 HydrophobicContact CG-CD1 4.04Å; L247-L250 WeakPolarHBondContact O-CB 3.34Å; L247-L250 PolarHBondContact O-N 3.33Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.1Å; L250-A253 WeakPolarHBondContact O-CB 3.42Å; L250-A253 PolarHBondContact O-N 3.45Å; L250-A253 VanDerWaalsContact O-N 3.15Å; L250-M254 PolarHBondContact O-N 3.19Å; L250-L281 HydrophobicContact CD1-CD2 3.74Å; L250-I290 HydrophobicContact CD1-CG2 4.13Å; L250-I290 HydrophobicContact CD2-CG2 4.06Å; L250-V293 HydrophobicContact CD2-CB 3.73Å; L250-V293 HydrophobicContact CD2-CG1 3.65Å; L250-V293 HydrophobicContact CD2-CG2 4.31Å; L250-V293 HydrophobicContact CG-CG1 4.12Å; L250-V294 HydrophobicContact CD1-CG2 4.16Å |
| 251 | E | 96.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 175.7 | -68.4 | 173.6 | 160.3 | 0 | 0 | 111 | L247 A253 M254 L255 M297 | L247-E251 HydrophobicContact CD1-CG 4.22Å; L247-E251 HydrophobicContact CG-CG 4.25Å; L247-E251 PolarHBondContact O-N 3.04Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.13Å; E251-M254 WeakPolarHBondContact O-CB 3.48Å; E251-M254 PolarHBondContact O-N 3.17Å; E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 2.72Å; E251-M297 HydrophobicContact CB-CE 4.34Å; E251-M297 HydrophobicContact CB-SD 4.33Å; E251-M297 HydrophobicContact CG-SD 4.13Å |
| 252 | K | 96.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 176.1 | -167.2 | 169.2 | -168.1 | -173.5 | 0 | 112.9 | E225 L228 P248 L250 M254 L255 H256 | E225-K252 WeakPolarHBondContact OE1-CD 3.15Å; E225-K252 WeakPolarHBondContact OE1-CE 3.49Å; E225-K252 IonicContact OE1-NZ 3.91Å; E225-K252 PolarHBondContact OE1-NZ 3.4Å; E225-K252 IonicContact OE2-NZ 3.72Å; E225-K252 PolarHBondContact OE2-NZ 3.43Å; L228-K252 HydrophobicContact CD1-CG 4.35Å; P248-K252 VanDerWaalsContact O-CB 3.28Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 PolarHBondContact O-N 3.4Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.1Å; K252-M254 VanDerWaalsContact C-N 3.34Å; K252-L255 PolarHBondContact O-N 3.24Å; K252-H256 WeakPolarHBondContact O-CB 3.4Å; K252-H256 PolarHBondContact O-N 3.34Å |
| 253 | A | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L228 W243 S249 L250 E251 L257 | L228-A253 HydrophobicContact CD2-CB 3.94Å; W243-A253 HydrophobicContact CZ2-CB 3.83Å; S249-A253 PolarHBondContact O-N 3.26Å; L250-A253 WeakPolarHBondContact O-CB 3.42Å; L250-A253 PolarHBondContact O-N 3.45Å; L250-A253 VanDerWaalsContact O-N 3.15Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.13Å; A253-L257 PolarHBondContact O-N 2.68Å; A253-L257 VanDerWaalsContact O-N 3.07Å |
| 254 | M | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 174.2 | -80.4 | -64.1 | -65.3 | 0 | 0 | 112.6 | L250 E251 K252 H256 L257 F258 L281 V294 M297 F298 | L250-M254 PolarHBondContact O-N 3.19Å; E251-M254 WeakPolarHBondContact O-CB 3.48Å; E251-M254 PolarHBondContact O-N 3.17Å; K252-M254 VanDerWaalsContact C-N 3.34Å; M254-H256 VanDerWaalsContact C-N 3.32Å; M254-H256 PolarHBondContact O-N 3.18Å; M254-L257 WeakPolarHBondContact O-CB 3.43Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-L257 VanDerWaalsContact O-N 3.14Å; M254-F258 HydrophobicContact CE-CE2 3.89Å; M254-F258 HydrophobicContact CE-CZ 3.75Å; M254-F258 VanDerWaalsContact O-CD2 3.29Å; M254-F258 WeakPolarHBondContact O-CD2 3.49Å; M254-F258 PolarHBondContact O-N 3.2Å; M254-L281 HydrophobicContact CG-CD1 4.4Å; M254-L281 HydrophobicContact CG-CD2 4.44Å; M254-L281 HydrophobicContact SD-CD1 3.53Å; M254-L281 VanDerWaalsContact SD-CD1 3.53Å; M254-L281 HydrophobicContact SD-CD2 4.23Å; M254-L281 HydrophobicContact SD-CG 4.48Å; M254-V294 HydrophobicContact CE-CG1 4.04Å; M254-V294 HydrophobicContact CG-CG2 4.28Å; M254-V294 HydrophobicContact SD-CB 4.28Å; M254-V294 HydrophobicContact SD-CG1 3.76Å; M254-V294 HydrophobicContact SD-CG2 4Å; M254-M297 HydrophobicContact CB-CE 3.38Å; M254-M297 HydrophobicContact CB-SD 3.41Å; M254-M297 WeakPolarHBondContact CB-SD 3.32Å; M254-M297 HydrophobicContact CE-CB 3.94Å; M254-M297 HydrophobicContact CG-CE 4.2Å; M254-M297 HydrophobicContact CG-SD 3.54Å; M254-M297 VanDerWaalsContact CG-SD 3.54Å; M254-F298 HydrophobicContact CE-CD1 4.26Å; M254-F298 HydrophobicContact CE-CD2 4.4Å; M254-F298 HydrophobicContact CE-CE1 3.96Å; M254-F298 HydrophobicContact CE-CE2 4.13Å; M254-F298 HydrophobicContact CE-CG 4.46Å; M254-F298 HydrophobicContact CE-CZ 3.89Å |
| 255 | L | 94.8 | Very high | 91.4 | Very high | 94 Ų | 94 | 54 Ų | 54 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.4 | -69.4 | 173.6 | 0 | 0 | 0 | 111.4 | E251 K252 L257 F258 E259 M297 | E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 2.72Å; K252-L255 PolarHBondContact O-N 3.24Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 3.19Å; L255-F258 PolarHBondContact O-N 3.44Å; L255-F258 VanDerWaalsContact O-N 3.13Å; L255-E259 WeakPolarHBondContact O-CG 3.36Å; L255-E259 PolarHBondContact O-N 3.03Å; L255-M297 HydrophobicContact CG-CE 4.43Å |
| 256 | H | 94 | Very high | 90.3 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 175.3 | -173.3 | 68.4 | 0 | 0 | 0 | 112.9 | L228 K252 M254 E259 K260 | L228-H256 HydrophobicContact CD1-CB 4.25Å; L228-H256 HydrophobicContact CD2-CB 4.46Å; K252-H256 WeakPolarHBondContact O-CB 3.4Å; K252-H256 PolarHBondContact O-N 3.34Å; M254-H256 VanDerWaalsContact C-N 3.32Å; M254-H256 PolarHBondContact O-N 3.18Å; H256-E259 IonicContact ND1-OE2 2.64Å; H256-K260 WeakPolarHBondContact NE2-CE 3.34Å; H256-K260 PolarHBondContact NE2-NZ 3.34Å; H256-K260 WeakPolarHBondContact O-CG 3.42Å; H256-K260 PolarHBondContact O-N 3.25Å |
| 257 | L | 93.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 171.5 | 175.1 | 63.6 | 0 | 0 | 0 | 110.9 | A253 M254 L255 E259 K260 L261 F275 I276 L281 | A253-L257 PolarHBondContact O-N 2.68Å; A253-L257 VanDerWaalsContact O-N 3.07Å; M254-L257 WeakPolarHBondContact O-CB 3.43Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-L257 VanDerWaalsContact O-N 3.14Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 3.19Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 3.05Å; L257-K260 PolarHBondContact O-N 3.47Å; L257-L261 HydrophobicContact CD1-CD1 4.05Å; L257-L261 HydrophobicContact CD1-CG 4.19Å; L257-L261 HydrophobicContact CG-CD1 3.84Å; L257-L261 HydrophobicContact CG-CG 4.42Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.99Å; L257-F275 HydrophobicContact CD1-CB 4.04Å; L257-I276 HydrophobicContact CD1-CG1 4.21Å; L257-I276 HydrophobicContact CD2-CG1 4.3Å; L257-L281 HydrophobicContact CB-CD1 4.32Å; L257-L281 HydrophobicContact CD2-CD1 3.78Å |
| 258 | F | 92.4 | Very high | 88.5 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.8 | -68.4 | -49.9 | 0 | 0 | 0 | 112.5 | M254 L255 K260 L261 I262 F298 A301 I311 | M254-F258 HydrophobicContact CE-CE2 3.89Å; M254-F258 HydrophobicContact CE-CZ 3.75Å; M254-F258 VanDerWaalsContact O-CD2 3.29Å; M254-F258 WeakPolarHBondContact O-CD2 3.49Å; M254-F258 PolarHBondContact O-N 3.2Å; L255-F258 PolarHBondContact O-N 3.44Å; L255-F258 VanDerWaalsContact O-N 3.13Å; F258-K260 VanDerWaalsContact C-N 3.33Å; F258-K260 PolarHBondContact O-N 2.86Å; F258-L261 HydrophobicContact CD1-CD1 4.28Å; F258-L261 PolarHBondContact O-N 2.98Å; F258-L261 VanDerWaalsContact O-N 3.15Å; F258-I262 WeakPolarHBondContact O-CB 3.29Å; F258-I262 WeakPolarHBondContact O-CD1 3.47Å; F258-I262 VanDerWaalsContact O-CG1 3.26Å; F258-I262 WeakPolarHBondContact O-CG1 3.41Å; F258-I262 PolarHBondContact O-N 3.27Å; F258-F298 AromaticContact CE1-CD1 4Å; F258-F298 HydrophobicContact CE1-CD1 4Å; F258-F298 AromaticContact CE1-CE1 3.83Å; F258-F298 HydrophobicContact CE1-CE1 3.83Å; F258-F298 AromaticContact CZ-CD1 3.85Å; F258-F298 HydrophobicContact CZ-CD1 3.85Å; F258-F298 AromaticContact CZ-CE1 3.96Å; F258-F298 HydrophobicContact CZ-CE1 3.96Å; F258-A301 HydrophobicContact CE1-CB 4.25Å; F258-A301 HydrophobicContact CE2-CB 4.37Å; F258-A301 HydrophobicContact CZ-CB 3.84Å; F258-I311 HydrophobicContact CE1-CD1 4.48Å |
| 259 | E | 91.6 | Very high | 88 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.1 | -44.6 | 174.5 | -75.2 | 174.3 | -178.6 | 0 | 0 | 112 | L255 H256 L257 S263 | L255-E259 WeakPolarHBondContact O-CG 3.36Å; L255-E259 PolarHBondContact O-N 3.03Å; H256-E259 IonicContact ND1-OE2 2.64Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 3.05Å; E259-S263 VanDerWaalsContact O-CB 3.25Å; E259-S263 WeakPolarHBondContact O-CB 3.16Å; E259-S263 PolarHBondContact O-N 2.79Å; E259-S263 PolarHBondContact O-OG 2.73Å |
| 260 | K | 90 | Very high | 87.5 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 175.6 | -78.3 | -179.3 | 174.2 | 165.1 | 0 | 112.6 | H256 L257 F258 S264 F275 | H256-K260 WeakPolarHBondContact NE2-CE 3.34Å; H256-K260 PolarHBondContact NE2-NZ 3.34Å; H256-K260 WeakPolarHBondContact O-CG 3.42Å; H256-K260 PolarHBondContact O-N 3.25Å; L257-K260 PolarHBondContact O-N 3.47Å; F258-K260 VanDerWaalsContact C-N 3.33Å; F258-K260 PolarHBondContact O-N 2.86Å; K260-S264 WeakPolarHBondContact O-CB 3.49Å; K260-S264 PolarHBondContact O-N 2.96Å; K260-F275 HydrophobicContact CB-CD1 4.4Å; K260-F275 HydrophobicContact CB-CG 4.35Å; K260-F275 HydrophobicContact CD-CD1 4.23Å |
| 261 | L | 87.7 | Confident | 87.1 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 179.3 | -68.9 | 167.2 | 0 | 0 | 0 | 111.6 | L257 F258 S264 I272 F275 T314 | L257-L261 HydrophobicContact CD1-CD1 4.05Å; L257-L261 HydrophobicContact CD1-CG 4.19Å; L257-L261 HydrophobicContact CG-CD1 3.84Å; L257-L261 HydrophobicContact CG-CG 4.42Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.99Å; F258-L261 HydrophobicContact CD1-CD1 4.28Å; F258-L261 PolarHBondContact O-N 2.98Å; F258-L261 VanDerWaalsContact O-N 3.15Å; L261-S264 WeakPolarHBondContact O-CB 3.23Å; L261-S264 PolarHBondContact O-N 3.12Å; L261-I272 HydrophobicContact CD2-CB 3.95Å; L261-I272 HydrophobicContact CD2-CG1 3.75Å; L261-I272 HydrophobicContact CD2-CG2 3.62Å; L261-F275 HydrophobicContact CD2-CD2 4.12Å; L261-T314 HydrophobicContact CD1-CG2 3.41Å; L261-T314 VanDerWaalsContact CD1-CG2 3.41Å |
| 262 | I | 84.1 | Confident | 86.8 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 72% | 0.723 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.3 | -37.1 | 178.4 | -66.5 | 163 | 0 | 0 | 0 | 111.3 | F258 S264 | F258-I262 WeakPolarHBondContact O-CB 3.29Å; F258-I262 WeakPolarHBondContact O-CD1 3.47Å; F258-I262 VanDerWaalsContact O-CG1 3.26Å; F258-I262 WeakPolarHBondContact O-CG1 3.41Å; F258-I262 PolarHBondContact O-N 3.27Å; I262-S264 PolarHBondContact O-N 3.3Å |
| 263 | S | 83.6 | Confident | 86.6 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.7 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | E259 | E259-S263 VanDerWaalsContact O-CB 3.25Å; E259-S263 WeakPolarHBondContact O-CB 3.16Å; E259-S263 PolarHBondContact O-N 2.79Å; E259-S263 PolarHBondContact O-OG 2.73Å |
| 264 | S | 79.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -84 | 160.2 | 179.3 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | K260 L261 I262 R266 R271 | K260-S264 WeakPolarHBondContact O-CB 3.49Å; K260-S264 PolarHBondContact O-N 2.96Å; L261-S264 WeakPolarHBondContact O-CB 3.23Å; L261-S264 PolarHBondContact O-N 3.12Å; I262-S264 PolarHBondContact O-N 3.3Å; S264-R266 PolarHBondContact O-N 3.44Å; S264-R271 WeakPolarHBondContact OG-CD 3.43Å; S264-R271 PolarHBondContact OG-NE 2.9Å |
| 265 | E | 69.8 | Low | 86.3 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 128 | 162.1 | -169.9 | -176.5 | 173.6 | 0 | 0 | 109 | R555 | E265-R555 IonicContact OE1-NE 3.51Š|
| 266 | R | 70.3 | Confident | 86.3 | Confident | 155 Ų | 155 | 59 Ų | 59 | 59% | 0.585 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.2 | 149.4 | 179.2 | -65.9 | -177.9 | 178.9 | 173.8 | -5.4 | 109.7 | S264 C268 | S264-R266 PolarHBondContact O-N 3.44Å; R266-C268 PolarHBondContact O-N 3.16Å |
| 267 | N | 67.6 | Low | 86.3 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 62.1 | 44.6 | 168.3 | -54.9 | -35.5 | 0 | 0 | 0 | 115.3 | H520 I523 D527 R555 | N267-H520 PolarHBondContact ND2-O 2.92Å; N267-I523 HydrophobicContact CB-CB 4.46Å; N267-I523 HydrophobicContact CB-CG2 3.67Å; N267-D527 WeakPolarHBondContact O-CB 3.1Å; N267-R555 PolarHBondContact O-NH2 3.19Å; N267-R555 VanDerWaalsContact O-NH2 3.08Å |
| 268 | C | 82.8 | Confident | 86.3 | Confident | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | trans | -126.8 | 89.3 | 169.1 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | R266 R270 R271 I272 D527 | R266-C268 PolarHBondContact O-N 3.16Å; C268-R270 VanDerWaalsContact C-N 3.28Å; C268-R270 PolarHBondContact O-N 3.44Å; C268-R271 HydrophobicContact CB-CB 4.08Å; C268-R271 WeakPolarHBondContact O-CB 3.3Å; C268-R271 PolarHBondContact O-N 3.13Å; C268-I272 WeakPolarHBondContact O-CG1 3.32Å; C268-I272 PolarHBondContact O-N 3.44Å; C268-D527 WeakPolarHBondContact CA-OD2 2.84Å | ||
| 269 | L | 85.2 | Confident | 86.3 | Confident | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -36.7 | -178 | -69.3 | -169.2 | 0 | 0 | 0 | 113 | R271 I272 E273 A313 V317 D527 Q528 Y531 | L269-R271 PolarHBondContact O-N 2.98Å; L269-I272 HydrophobicContact CD2-CD1 3.97Å; L269-I272 PolarHBondContact O-N 3.22Å; L269-E273 WeakPolarHBondContact O-CB 3.16Å; L269-E273 PolarHBondContact O-N 3.44Å; L269-A313 HydrophobicContact CD2-CB 3.67Å; L269-V317 HydrophobicContact CB-CG2 4.46Å; L269-V317 HydrophobicContact CD2-CG2 3.92Å; L269-D527 WeakPolarHBondContact CB-OD2 3Å; L269-D527 PolarHBondContact N-OD2 3.49Å; L269-Q528 VanDerWaalsContact CD1-CA 3.47Å; L269-Q528 HydrophobicContact CD1-CB 3.89Å; L269-Q528 HydrophobicContact CD1-CG 4.15Å; L269-Y531 HydrophobicContact CB-CD1 4.37Å; L269-Y531 HydrophobicContact CB-CD2 4Å; L269-Y531 HydrophobicContact CB-CG 3.92Å; L269-Y531 HydrophobicContact CD1-CD1 3.72Å; L269-Y531 HydrophobicContact CD1-CG 3.78Å |
| 270 | R | 86.2 | Confident | 86.4 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 46% | 0.457 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 175.4 | -71.1 | -175.3 | 177.6 | -158.2 | -3.1 | 111.8 | C268 C274 Y531 N534 | C268-R270 VanDerWaalsContact C-N 3.28Å; C268-R270 PolarHBondContact O-N 3.44Å; R270-C274 PolarHBondContact O-N 2.89Å; R270-C274 VanDerWaalsContact O-N 3.08Å; R270-C274 PolarHBondContact O-SG 3.24Å; R270-Y531 HydrophobicContact CG-CD2 4.13Å; R270-N534 PolarHBondContact NH2-ND2 2.78Å |
| 271 | R | 88.5 | Confident | 86.7 | Confident | 106 Ų | 106 | 57 Ų | 57 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.2 | -39.5 | 178.2 | -171 | 167.6 | 179.5 | -177.2 | -0.6 | 111.3 | S264 C268 L269 E273 C274 F275 | S264-R271 WeakPolarHBondContact OG-CD 3.43Å; S264-R271 PolarHBondContact OG-NE 2.9Å; C268-R271 HydrophobicContact CB-CB 4.08Å; C268-R271 WeakPolarHBondContact O-CB 3.3Å; C268-R271 PolarHBondContact O-N 3.13Å; L269-R271 PolarHBondContact O-N 2.98Å; R271-E273 VanDerWaalsContact C-N 3.3Å; R271-E273 PolarHBondContact O-N 3.35Å; R271-C274 WeakPolarHBondContact O-CB 3.42Å; R271-C274 PolarHBondContact O-N 3.14Å; R271-F275 HydrophobicContact CG-CD2 4.25Å; R271-F275 HydrophobicContact CG-CE2 3.59Å; R271-F275 HydrophobicContact CG-CZ 3.9Å; R271-F275 VanDerWaalsContact O-CD2 3.23Å; R271-F275 WeakPolarHBondContact O-CD2 3.46Å; R271-F275 WeakPolarHBondContact O-CG 3.38Å; R271-F275 PolarHBondContact O-N 3.07Å |
| 272 | I | 91.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 170.8 | -61.2 | 171.7 | 0 | 0 | 0 | 110 | L261 C268 L269 C274 F275 I276 V317 | L261-I272 HydrophobicContact CD2-CB 3.95Å; L261-I272 HydrophobicContact CD2-CG1 3.75Å; L261-I272 HydrophobicContact CD2-CG2 3.62Å; C268-I272 WeakPolarHBondContact O-CG1 3.32Å; C268-I272 PolarHBondContact O-N 3.44Å; L269-I272 HydrophobicContact CD2-CD1 3.97Å; L269-I272 PolarHBondContact O-N 3.22Å; I272-C274 PolarHBondContact O-N 3.19Å; I272-F275 PolarHBondContact O-N 3.23Å; I272-I276 HydrophobicContact CG2-CD1 3.59Å; I272-I276 HydrophobicContact CG2-CG1 4.35Å; I272-I276 WeakPolarHBondContact O-CB 3.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.31Å; I272-I276 PolarHBondContact O-N 3.07Å; I272-V317 HydrophobicContact CG2-CB 4.17Å; I272-V317 HydrophobicContact CG2-CG1 4.28Å; I272-V317 HydrophobicContact CG2-CG2 4.34Å |
| 273 | E | 92.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 176.5 | -175.6 | -177.1 | -160.7 | 0 | 0 | 112.1 | L269 R271 I276 K277 V317 Y531 | L269-E273 WeakPolarHBondContact O-CB 3.16Å; L269-E273 PolarHBondContact O-N 3.44Å; R271-E273 VanDerWaalsContact C-N 3.3Å; R271-E273 PolarHBondContact O-N 3.35Å; E273-I276 PolarHBondContact O-N 3.43Å; E273-K277 HydrophobicContact CG-CD 4.06Å; E273-K277 HydrophobicContact CG-CG 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.39Å; E273-K277 WeakPolarHBondContact O-CG 3.44Å; E273-K277 PolarHBondContact O-N 3.12Å; E273-K277 VanDerWaalsContact OE1-CE 3.23Å; E273-K277 WeakPolarHBondContact OE1-CE 3.33Å; E273-K277 IonicContact OE1-NZ 3.08Å; E273-K277 PolarHBondContact OE1-NZ 3.47Å; E273-V317 VanDerWaalsContact CA-CG1 3.47Å; E273-V317 HydrophobicContact CB-CG1 3.64Å; E273-V317 HydrophobicContact CG-CG1 4.12Å; E273-Y531 PolarHBondContact OE1-OH 2.96Å; E273-Y531 VanDerWaalsContact OE2-CE2 3.25Å; E273-Y531 WeakPolarHBondContact OE2-CE2 3.22Å; E273-Y531 PolarHBondContact OE2-OH 3.35Å |
| 274 | C | 92.6 | Very high | 88.1 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 49% | 0.486 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.4 | -49.9 | 174.1 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | R270 R271 I272 I276 K277 D278 | R270-C274 PolarHBondContact O-N 2.89Å; R270-C274 VanDerWaalsContact O-N 3.08Å; R270-C274 PolarHBondContact O-SG 3.24Å; R271-C274 WeakPolarHBondContact O-CB 3.42Å; R271-C274 PolarHBondContact O-N 3.14Å; I272-C274 PolarHBondContact O-N 3.19Å; C274-I276 VanDerWaalsContact C-N 3.34Å; C274-I276 PolarHBondContact O-N 3.35Å; C274-K277 PolarHBondContact O-N 3.45Å; C274-D278 WeakPolarHBondContact O-CB 3.23Å; C274-D278 PolarHBondContact O-N 3.06Å |
| 275 | F | 93.5 | Very high | 88.9 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 179.1 | -64 | -43.8 | 0 | 0 | 0 | 112.9 | L257 K260 L261 R271 I272 D278 S279 | L257-F275 HydrophobicContact CD1-CB 4.04Å; K260-F275 HydrophobicContact CB-CD1 4.4Å; K260-F275 HydrophobicContact CB-CG 4.35Å; K260-F275 HydrophobicContact CD-CD1 4.23Å; L261-F275 HydrophobicContact CD2-CD2 4.12Å; R271-F275 HydrophobicContact CG-CD2 4.25Å; R271-F275 HydrophobicContact CG-CE2 3.59Å; R271-F275 HydrophobicContact CG-CZ 3.9Å; R271-F275 VanDerWaalsContact O-CD2 3.23Å; R271-F275 WeakPolarHBondContact O-CD2 3.46Å; R271-F275 WeakPolarHBondContact O-CG 3.38Å; R271-F275 PolarHBondContact O-N 3.07Å; I272-F275 PolarHBondContact O-N 3.23Å; F275-D278 PolarHBondContact O-N 3.11Å; F275-S279 WeakPolarHBondContact O-CB 3.49Å; F275-S279 PolarHBondContact O-N 3.29Å |
| 276 | I | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.1 | -75.3 | 170.6 | 0 | 0 | 0 | 110.5 | L257 I272 E273 C274 S279 P282 T314 V317 F318 C321 | L257-I276 HydrophobicContact CD1-CG1 4.21Å; L257-I276 HydrophobicContact CD2-CG1 4.3Å; I272-I276 HydrophobicContact CG2-CD1 3.59Å; I272-I276 HydrophobicContact CG2-CG1 4.35Å; I272-I276 WeakPolarHBondContact O-CB 3.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.31Å; I272-I276 PolarHBondContact O-N 3.07Å; E273-I276 PolarHBondContact O-N 3.43Å; C274-I276 VanDerWaalsContact C-N 3.34Å; C274-I276 PolarHBondContact O-N 3.35Å; I276-S279 PolarHBondContact O-N 3.28Å; I276-S279 PolarHBondContact O-OG 3.43Å; I276-P282 HydrophobicContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact O-CD 3.31Å; I276-P282 WeakPolarHBondContact O-CD 3.36Å; I276-T314 HydrophobicContact CD1-CG2 4.16Å; I276-V317 HydrophobicContact CD1-CB 3.79Å; I276-V317 HydrophobicContact CD1-CG1 3.62Å; I276-F318 HydrophobicContact CD1-CB 4.08Å; I276-F318 HydrophobicContact CG2-CB 4.5Å; I276-F318 HydrophobicContact CG2-CD2 4.27Å; I276-C321 HydrophobicContact CG2-CB 3.84Å |
| 277 | K | 93.8 | Very high | 91 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 177.3 | -72.5 | -178.9 | -177.8 | 176.9 | 0 | 112 | E273 C274 S279 S280 E324 | E273-K277 HydrophobicContact CG-CD 4.06Å; E273-K277 HydrophobicContact CG-CG 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.39Å; E273-K277 WeakPolarHBondContact O-CG 3.44Å; E273-K277 PolarHBondContact O-N 3.12Å; E273-K277 VanDerWaalsContact OE1-CE 3.23Å; E273-K277 WeakPolarHBondContact OE1-CE 3.33Å; E273-K277 IonicContact OE1-NZ 3.08Å; E273-K277 PolarHBondContact OE1-NZ 3.47Å; C274-K277 PolarHBondContact O-N 3.45Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-S280 PolarHBondContact O-N 3.15Å; K277-E324 IonicContact NZ-OE2 2.76Å |
| 278 | D | 93.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 37.8 Ų | 37.8 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.5 | -25 | 178.8 | -72.9 | -14.5 | 0 | 0 | 0 | 113.1 | K230 C274 F275 S280 | K230-D278 PolarHBondContact NZ-O 2.89Å; C274-D278 WeakPolarHBondContact O-CB 3.23Å; C274-D278 PolarHBondContact O-N 3.06Å; F275-D278 PolarHBondContact O-N 3.11Å; D278-S280 VanDerWaalsContact C-N 3.28Å; D278-S280 PolarHBondContact O-N 3.22Å |
| 279 | S | 94.1 | Very high | 92.6 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.4 | -179.6 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | F275 I276 K277 L281 | F275-S279 WeakPolarHBondContact O-CB 3.49Å; F275-S279 PolarHBondContact O-N 3.29Å; I276-S279 PolarHBondContact O-N 3.28Å; I276-S279 PolarHBondContact O-OG 3.43Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 2.95Å; S279-L281 PolarHBondContact O-N 3Å; S279-L281 VanDerWaalsContact O-N 3.08Å; S279-L281 WeakPolarHBondContact OG-CB 3.34Å; S279-L281 PolarHBondContact OG-N 3.02Å |
| 280 | S | 93.2 | Very high | 93.1 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | trans | 63.2 | -1.8 | -171.1 | -54.7 | 0 | 0 | 0 | 0 | 115.8 | K277 D278 Q283 A284 | K277-S280 PolarHBondContact O-N 3.15Å; D278-S280 VanDerWaalsContact C-N 3.28Å; D278-S280 PolarHBondContact O-N 3.22Å; S280-Q283 PolarHBondContact O-N 3.04Å; S280-Q283 PolarHBondContact O-OE1 3.41Å; S280-A284 PolarHBondContact O-N 3.2Å; S280-A284 VanDerWaalsContact O-N 3.07Å | ||
| 281 | L | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 179.9 | -70.4 | 162.8 | 0 | 0 | 0 | 112.9 | W243 L250 M254 L257 S279 Q283 A284 A285 V294 F318 | W243-L281 HydrophobicContact CE3-CD2 4.36Å; W243-L281 HydrophobicContact CH2-CD2 3.9Å; W243-L281 HydrophobicContact CH2-CG 4.23Å; W243-L281 HydrophobicContact CZ3-CD2 3.77Å; W243-L281 HydrophobicContact CZ3-CG 4.36Å; L250-L281 HydrophobicContact CD1-CD2 3.74Å; M254-L281 HydrophobicContact CG-CD1 4.4Å; M254-L281 HydrophobicContact CG-CD2 4.44Å; M254-L281 HydrophobicContact SD-CD1 3.53Å; M254-L281 VanDerWaalsContact SD-CD1 3.53Å; M254-L281 HydrophobicContact SD-CD2 4.23Å; M254-L281 HydrophobicContact SD-CG 4.48Å; L257-L281 HydrophobicContact CB-CD1 4.32Å; L257-L281 HydrophobicContact CD2-CD1 3.78Å; S279-L281 PolarHBondContact O-N 3Å; S279-L281 VanDerWaalsContact O-N 3.08Å; S279-L281 WeakPolarHBondContact OG-CB 3.34Å; S279-L281 PolarHBondContact OG-N 3.02Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 2.81Å; L281-A284 PolarHBondContact O-N 3.36Å; L281-A285 WeakPolarHBondContact O-CB 3.29Å; L281-A285 PolarHBondContact O-N 2.98Å; L281-V294 HydrophobicContact CD2-CG2 4.07Å; L281-F318 HydrophobicContact CB-CE2 4.04Å |
| 282 | P | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.2 | -39.4 | 179.2 | -25.1 | 34.6 | 0 | 0 | 0 | 113.3 | I276 F318 C321 | I276-P282 HydrophobicContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact CG2-CG 3.46Å; I276-P282 VanDerWaalsContact O-CD 3.31Å; I276-P282 WeakPolarHBondContact O-CD 3.36Å; P282-F318 HydrophobicContact CG-CD2 4.17Å; P282-F318 HydrophobicContact CG-CE2 4.15Å; P282-C321 HydrophobicContact CB-CB 3.82Å; P282-C321 HydrophobicContact CG-CB 3.68Å |
| 283 | Q | 94.2 | Very high | 94.1 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 34% | 0.341 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.1 | -40.4 | 179.8 | -63.3 | 83.3 | -6.5 | 0 | 0 | 111.7 | M236 S280 L281 C286 A325 | M236-Q283 HydrophobicContact CE-CB 3.64Å; M236-Q283 HydrophobicContact CE-CG 4.19Å; M236-Q283 HydrophobicContact CG-CB 4.32Å; M236-Q283 HydrophobicContact SD-CB 3.89Å; S280-Q283 PolarHBondContact O-N 3.04Å; S280-Q283 PolarHBondContact O-OE1 3.41Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 2.81Å; Q283-C286 WeakPolarHBondContact O-CB 3.45Å; Q283-C286 PolarHBondContact O-N 3.15Å; Q283-A325 HydrophobicContact CG-CB 4.36Å |
| 284 | A | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.2 | -33.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M236 V240 W243 S280 L281 C286 H287 I290 | M236-A284 HydrophobicContact SD-CB 4.4Å; V240-A284 HydrophobicContact CG2-CB 3.87Å; W243-A284 HydrophobicContact CE3-CB 3.46Å; W243-A284 VanDerWaalsContact CE3-CB 3.46Å; W243-A284 HydrophobicContact CZ3-CB 3.32Å; S280-A284 PolarHBondContact O-N 3.2Å; S280-A284 VanDerWaalsContact O-N 3.07Å; L281-A284 PolarHBondContact O-N 3.36Å; A284-C286 PolarHBondContact O-N 3.22Å; A284-C286 VanDerWaalsContact O-N 3.15Å; A284-H287 WeakPolarHBondContact O-CB 3.39Å; A284-H287 PolarHBondContact O-N 2.88Å; A284-I290 HydrophobicContact CB-CD1 4.01Å; A284-I290 HydrophobicContact CB-CG2 4.24Å |
| 285 | A | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L281 H287 I290 F291 F318 F322 Y340 | L281-A285 WeakPolarHBondContact O-CB 3.29Å; L281-A285 PolarHBondContact O-N 2.98Å; A285-H287 CarbonylContact O-C 3.59Å; A285-H287 PolarHBondContact O-N 3.42Å; A285-I290 HydrophobicContact CB-CG2 4.48Å; A285-F291 HydrophobicContact CB-CB 4.23Å; A285-F291 HydrophobicContact CB-CD2 4.23Å; A285-F291 WeakPolarHBondContact O-CB 3.24Å; A285-F318 HydrophobicContact CB-CZ 3.84Å; A285-F322 HydrophobicContact CB-CD2 4.02Å; A285-F322 HydrophobicContact CB-CE2 4.45Å; A285-F322 WeakPolarHBondContact O-CE2 3.41Å; A285-Y340 WeakPolarHBondContact O-CE1 3.32Å |
| 286 | C | 92.9 | Very high | 94.5 | Very high | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.095 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.4 | 162.6 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | Q283 A284 Y340 | Q283-C286 WeakPolarHBondContact O-CB 3.45Å; Q283-C286 PolarHBondContact O-N 3.15Å; A284-C286 PolarHBondContact O-N 3.22Å; A284-C286 VanDerWaalsContact O-N 3.15Å; C286-Y340 PolarHBondContact O-OH 2.94Å |
| 287 | H | 92.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -89.7 | 119.6 | 163.7 | -166.7 | -75.1 | 0 | 0 | 0 | 110.7 | V240 A284 A285 A289 I290 F291 | V240-H287 HydrophobicContact CG1-CB 4.31Å; A284-H287 WeakPolarHBondContact O-CB 3.39Å; A284-H287 PolarHBondContact O-N 2.88Å; A285-H287 CarbonylContact O-C 3.59Å; A285-H287 PolarHBondContact O-N 3.42Å; H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact ND1-N 3.18Å; H287-A289 PolarHBondContact O-N 2.99Å; H287-A289 VanDerWaalsContact O-N 3.1Å; H287-I290 HydrophobicContact CB-CD1 4.33Å; H287-I290 HydrophobicContact CB-CG1 4.42Å; H287-I290 PolarHBondContact O-N 3.3Å; H287-F291 PolarHBondContact O-N 3.2Å |
| 288 | P | 92.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 8% | 0.078 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.4 | -32.7 | -172.5 | -27.9 | 32.9 | 0 | 0 | 0 | 115.4 | F291 R292 F335 T339 Y340 | P288-F291 PolarHBondContact O-N 2.88Å; P288-R292 VanDerWaalsContact O-CG 3.3Å; P288-R292 WeakPolarHBondContact O-CG 3.45Å; P288-R292 PolarHBondContact O-N 2.87Å; P288-F335 HydrophobicContact CG-CB 3.63Å; P288-F335 HydrophobicContact CG-CD1 3.86Å; P288-F335 HydrophobicContact CG-CD2 3.58Å; P288-F335 HydrophobicContact CG-CE1 4.39Å; P288-F335 HydrophobicContact CG-CE2 4.15Å; P288-F335 HydrophobicContact CG-CG 3.4Å; P288-F335 VanDerWaalsContact CG-CG 3.4Å; P288-T339 WeakPolarHBondContact CG-OG1 3.42Å; P288-Y340 HydrophobicContact CB-CD1 4.29Å; P288-Y340 HydrophobicContact CB-CE1 4.22Å; P288-Y340 HydrophobicContact CG-CD1 4.32Å; P288-Y340 HydrophobicContact CG-CE1 3.82Å |
| 289 | A | 92 | Very high | 94.8 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 39% | 0.388 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L244 H287 V293 | L244-A289 HydrophobicContact CD2-CB 3.76Å; H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact ND1-N 3.18Å; H287-A289 PolarHBondContact O-N 2.99Å; H287-A289 VanDerWaalsContact O-N 3.1Å; A289-V293 PolarHBondContact O-N 3.05Å |
| 290 | I | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -46.1 | 175.2 | -64.5 | 178.9 | 0 | 0 | 0 | 109.2 | V240 W243 L244 L250 A284 A285 H287 R292 V293 V294 | V240-I290 HydrophobicContact CB-CD1 4.26Å; V240-I290 HydrophobicContact CG1-CD1 3.93Å; V240-I290 HydrophobicContact CG2-CD1 4.24Å; W243-I290 HydrophobicContact CB-CD1 4.04Å; W243-I290 HydrophobicContact CB-CG1 4.46Å; W243-I290 HydrophobicContact CE3-CD1 4.45Å; W243-I290 HydrophobicContact CE3-CG2 4.48Å; L244-I290 HydrophobicContact CD2-CD1 4.3Å; L244-I290 HydrophobicContact CD2-CG1 3.79Å; L244-I290 HydrophobicContact CG-CD1 4.14Å; L244-I290 HydrophobicContact CG-CG1 4.17Å; L250-I290 HydrophobicContact CD1-CG2 4.13Å; L250-I290 HydrophobicContact CD2-CG2 4.06Å; A284-I290 HydrophobicContact CB-CD1 4.01Å; A284-I290 HydrophobicContact CB-CG2 4.24Å; A285-I290 HydrophobicContact CB-CG2 4.48Å; H287-I290 HydrophobicContact CB-CD1 4.33Å; H287-I290 HydrophobicContact CB-CG1 4.42Å; H287-I290 PolarHBondContact O-N 3.3Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.29Å; I290-V293 PolarHBondContact O-N 3.28Å; I290-V294 HydrophobicContact CG2-CG2 4.22Å; I290-V294 WeakPolarHBondContact O-CG2 3.38Å; I290-V294 PolarHBondContact O-N 3.43Å |
| 291 | F | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -51.2 | -50.1 | 176.5 | -178.3 | -88.8 | 0 | 0 | 0 | 111.7 | A285 H287 P288 V293 V294 D295 F318 F322 Y340 F341 | A285-F291 HydrophobicContact CB-CB 4.23Å; A285-F291 HydrophobicContact CB-CD2 4.23Å; A285-F291 WeakPolarHBondContact O-CB 3.24Å; H287-F291 PolarHBondContact O-N 3.2Å; P288-F291 PolarHBondContact O-N 2.88Å; F291-V293 VanDerWaalsContact C-N 3.32Å; F291-V293 PolarHBondContact O-N 2.96Å; F291-V294 PolarHBondContact O-N 2.97Å; F291-D295 HydrophobicContact CD1-CB 4.23Å; F291-D295 HydrophobicContact CE1-CB 3.96Å; F291-D295 HydrophobicContact CZ-CB 4.49Å; F291-D295 WeakPolarHBondContact O-CB 3.17Å; F291-D295 PolarHBondContact O-N 3.32Å; F291-F318 HydrophobicContact CD2-CE1 4.49Å; F291-F318 HydrophobicContact CE2-CE1 4.26Å; F291-F322 HydrophobicContact CD2-CD1 4.23Å; F291-F322 HydrophobicContact CD2-CD2 4.04Å; F291-F322 AromaticContact CD2-CE1 3.98Å; F291-F322 HydrophobicContact CD2-CE1 3.98Å; F291-F322 AromaticContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CG 4.25Å; F291-F322 AromaticContact CD2-CZ 3.75Å; F291-F322 HydrophobicContact CD2-CZ 3.75Å; F291-F322 AromaticContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD2 4.38Å; F291-F322 AromaticContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE2 4.27Å; F291-F322 HydrophobicContact CE2-CG 4.13Å; F291-F322 AromaticContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CZ-CE1 4.49Å; F291-Y340 HydrophobicContact CB-CD1 3.8Å; F291-Y340 HydrophobicContact CB-CE1 4.34Å; F291-Y340 HydrophobicContact CD1-CD1 4.06Å; F291-Y340 WeakPolarHBondContact CD1-O 3.34Å; F291-Y340 HydrophobicContact CD2-CD1 4.04Å; F291-Y340 WeakPolarHBondContact CE1-O 3.38Å; F291-Y340 AromaticContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CG 4.5Å; F291-F341 HydrophobicContact CE1-CD1 4.24Å; F291-F341 AromaticContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CZ 4.3Å; F291-F341 HydrophobicContact CE2-CZ 4.45Å; F291-F341 HydrophobicContact CZ-CD1 4.3Å; F291-F341 AromaticContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE2 4.43Å; F291-F341 AromaticContact CZ-CZ 3.64Å; F291-F341 HydrophobicContact CZ-CZ 3.64Å |
| 292 | R | 94.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 28 Ų | 28 | 41% | 0.411 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.8 | -38.4 | -177.8 | -74.9 | 176.6 | -175.5 | -160.8 | -3 | 113.6 | P288 I290 E296 T339 | P288-R292 VanDerWaalsContact O-CG 3.3Å; P288-R292 WeakPolarHBondContact O-CG 3.45Å; P288-R292 PolarHBondContact O-N 2.87Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.29Å; R292-E296 VanDerWaalsContact O-CB 3.27Å; R292-E296 WeakPolarHBondContact O-CB 3.28Å; R292-E296 PolarHBondContact O-N 3.43Å; R292-T339 PolarHBondContact NE-O 3.47Å; R292-T339 PolarHBondContact NH2-O 2.82Å |
| 293 | V | 95.9 | Very high | 94.5 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.8 | -45.2 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | L247 L250 A289 I290 F291 D295 E296 M297 | L247-V293 HydrophobicContact CD1-CB 4.45Å; L247-V293 HydrophobicContact CD1-CG1 3.65Å; L247-V293 HydrophobicContact CD1-CG2 3.97Å; L250-V293 HydrophobicContact CD2-CB 3.73Å; L250-V293 HydrophobicContact CD2-CG1 3.65Å; L250-V293 HydrophobicContact CD2-CG2 4.31Å; L250-V293 HydrophobicContact CG-CG1 4.12Å; A289-V293 PolarHBondContact O-N 3.05Å; I290-V293 PolarHBondContact O-N 3.28Å; F291-V293 VanDerWaalsContact C-N 3.32Å; F291-V293 PolarHBondContact O-N 2.96Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 2.98Å; V293-E296 PolarHBondContact O-N 3.06Å; V293-M297 HydrophobicContact CG1-SD 4.48Å; V293-M297 WeakPolarHBondContact O-CG 3.49Å; V293-M297 PolarHBondContact O-N 3.48Å |
| 294 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | L250 M254 L281 I290 F291 M297 F298 F318 | L250-V294 HydrophobicContact CD1-CG2 4.16Å; M254-V294 HydrophobicContact CE-CG1 4.04Å; M254-V294 HydrophobicContact CG-CG2 4.28Å; M254-V294 HydrophobicContact SD-CB 4.28Å; M254-V294 HydrophobicContact SD-CG1 3.76Å; M254-V294 HydrophobicContact SD-CG2 4Å; L281-V294 HydrophobicContact CD2-CG2 4.07Å; I290-V294 HydrophobicContact CG2-CG2 4.22Å; I290-V294 WeakPolarHBondContact O-CG2 3.38Å; I290-V294 PolarHBondContact O-N 3.43Å; F291-V294 PolarHBondContact O-N 2.97Å; V294-M297 PolarHBondContact O-N 2.61Å; V294-F298 HydrophobicContact CG1-CD2 3.86Å; V294-F298 HydrophobicContact CG1-CE2 3.46Å; V294-F298 VanDerWaalsContact CG1-CE2 3.46Å; V294-F298 HydrophobicContact CG1-CZ 4.37Å; V294-F298 VanDerWaalsContact O-CD2 3.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.26Å; V294-F298 PolarHBondContact O-N 3.25Å; V294-F318 HydrophobicContact CB-CZ 4.39Å; V294-F318 HydrophobicContact CG1-CE1 3.85Å; V294-F318 HydrophobicContact CG1-CE2 3.83Å; V294-F318 HydrophobicContact CG1-CZ 3.46Å; V294-F318 VanDerWaalsContact CG1-CZ 3.46Å |
| 295 | D | 95.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 177.6 | -163.5 | 58.2 | 0 | 0 | 0 | 112 | F291 V293 F298 R299 H399 | F291-D295 HydrophobicContact CD1-CB 4.23Å; F291-D295 HydrophobicContact CE1-CB 3.96Å; F291-D295 HydrophobicContact CZ-CB 4.49Å; F291-D295 WeakPolarHBondContact O-CB 3.17Å; F291-D295 PolarHBondContact O-N 3.32Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 2.98Å; D295-F298 WeakPolarHBondContact O-CB 3.45Å; D295-F298 PolarHBondContact O-N 3.25Å; D295-R299 PolarHBondContact O-N 3.22Å; D295-H399 IonicContact OD1-CE1 2.79Å; D295-H399 PolarHBondContact OD1-CE1 3.1Å; D295-H399 IonicContact OD1-NE2 3.44Å; D295-H399 PolarHBondContact OD1-NE2 3.19Å |
| 296 | E | 95.5 | Very high | 93.7 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 175.3 | -170.8 | 62.3 | -168 | 0 | 0 | 112 | R292 V293 F298 R299 C300 | R292-E296 VanDerWaalsContact O-CB 3.27Å; R292-E296 WeakPolarHBondContact O-CB 3.28Å; R292-E296 PolarHBondContact O-N 3.43Å; V293-E296 PolarHBondContact O-N 3.06Å; E296-F298 VanDerWaalsContact C-N 3.33Å; E296-F298 PolarHBondContact O-N 3.46Å; E296-R299 WeakPolarHBondContact O-CB 3.39Å; E296-R299 PolarHBondContact O-N 2.96Å; E296-R299 VanDerWaalsContact OE2-CD 3.29Å; E296-R299 WeakPolarHBondContact OE2-CD 3.45Å; E296-R299 IonicContact OE2-CZ 2.84Å; E296-R299 IonicContact OE2-NE 2.66Å; E296-R299 PolarHBondContact OE2-NE 3.04Å; E296-C300 PolarHBondContact O-N 3.34Å; E296-C300 PolarHBondContact O-SG 3.46Å |
| 297 | M | 96.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -36.6 | 174.5 | -71.8 | -172.2 | 76.7 | 0 | 0 | 112.2 | E251 M254 L255 V293 V294 C300 A301 | E251-M297 HydrophobicContact CB-CE 4.34Å; E251-M297 HydrophobicContact CB-SD 4.33Å; E251-M297 HydrophobicContact CG-SD 4.13Å; M254-M297 HydrophobicContact CB-CE 3.38Å; M254-M297 HydrophobicContact CB-SD 3.41Å; M254-M297 WeakPolarHBondContact CB-SD 3.32Å; M254-M297 HydrophobicContact CE-CB 3.94Å; M254-M297 HydrophobicContact CG-CE 4.2Å; M254-M297 HydrophobicContact CG-SD 3.54Å; M254-M297 VanDerWaalsContact CG-SD 3.54Å; L255-M297 HydrophobicContact CG-CE 4.43Å; V293-M297 HydrophobicContact CG1-SD 4.48Å; V293-M297 WeakPolarHBondContact O-CG 3.49Å; V293-M297 PolarHBondContact O-N 3.48Å; V294-M297 PolarHBondContact O-N 2.61Å; M297-C300 PolarHBondContact O-N 3.11Å; M297-A301 WeakPolarHBondContact O-CB 3.49Å; M297-A301 PolarHBondContact O-N 2.98Å |
| 298 | F | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 170.9 | -77.7 | -50.5 | 0 | 0 | 0 | 112.3 | M254 F258 V294 D295 E296 C300 A301 L302 T314 I315 F318 | M254-F298 HydrophobicContact CE-CD1 4.26Å; M254-F298 HydrophobicContact CE-CD2 4.4Å; M254-F298 HydrophobicContact CE-CE1 3.96Å; M254-F298 HydrophobicContact CE-CE2 4.13Å; M254-F298 HydrophobicContact CE-CG 4.46Å; M254-F298 HydrophobicContact CE-CZ 3.89Å; F258-F298 AromaticContact CE1-CD1 4Å; F258-F298 HydrophobicContact CE1-CD1 4Å; F258-F298 AromaticContact CE1-CE1 3.83Å; F258-F298 HydrophobicContact CE1-CE1 3.83Å; F258-F298 AromaticContact CZ-CD1 3.85Å; F258-F298 HydrophobicContact CZ-CD1 3.85Å; F258-F298 AromaticContact CZ-CE1 3.96Å; F258-F298 HydrophobicContact CZ-CE1 3.96Å; V294-F298 HydrophobicContact CG1-CD2 3.86Å; V294-F298 HydrophobicContact CG1-CE2 3.46Å; V294-F298 VanDerWaalsContact CG1-CE2 3.46Å; V294-F298 HydrophobicContact CG1-CZ 4.37Å; V294-F298 VanDerWaalsContact O-CD2 3.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.26Å; V294-F298 PolarHBondContact O-N 3.25Å; D295-F298 WeakPolarHBondContact O-CB 3.45Å; D295-F298 PolarHBondContact O-N 3.25Å; E296-F298 VanDerWaalsContact C-N 3.33Å; E296-F298 PolarHBondContact O-N 3.46Å; F298-C300 PolarHBondContact O-N 3.23Å; F298-A301 PolarHBondContact O-N 3.22Å; F298-L302 VanDerWaalsContact O-CB 3.29Å; F298-L302 WeakPolarHBondContact O-CB 3.29Å; F298-L302 PolarHBondContact O-N 3.08Å; F298-T314 HydrophobicContact CE1-CG2 3.7Å; F298-T314 HydrophobicContact CZ-CG2 4.19Å; F298-I315 HydrophobicContact CB-CD1 3.98Å; F298-I315 HydrophobicContact CB-CG1 3.8Å; F298-I315 HydrophobicContact CD1-CG1 3.7Å; F298-I315 HydrophobicContact CD2-CG1 4.36Å; F298-I315 HydrophobicContact CE1-CG1 4.38Å; F298-I315 HydrophobicContact CG-CD1 4.43Å; F298-I315 HydrophobicContact CG-CG1 3.71Å; F298-F318 HydrophobicContact CD2-CD1 4.36Å; F298-F318 HydrophobicContact CE2-CB 3.96Å; F298-F318 AromaticContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD2 4.03Å; F298-F318 HydrophobicContact CE2-CE1 4.06Å; F298-F318 HydrophobicContact CE2-CE2 4.48Å; F298-F318 AromaticContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CZ 4.5Å; F298-F318 HydrophobicContact CZ-CB 3.91Å; F298-F318 HydrophobicContact CZ-CD1 4.36Å; F298-F318 HydrophobicContact CZ-CD2 4.23Å; F298-F318 AromaticContact CZ-CG 3.89Å; F298-F318 HydrophobicContact CZ-CG 3.89Å |
| 299 | R | 94.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 173.5 | -179.4 | -166 | -63.5 | -107.7 | -11.2 | 111.1 | D295 E296 L302 L303 F391 E392 F395 | D295-R299 PolarHBondContact O-N 3.22Å; E296-R299 WeakPolarHBondContact O-CB 3.39Å; E296-R299 PolarHBondContact O-N 2.96Å; E296-R299 VanDerWaalsContact OE2-CD 3.29Å; E296-R299 WeakPolarHBondContact OE2-CD 3.45Å; E296-R299 IonicContact OE2-CZ 2.84Å; E296-R299 IonicContact OE2-NE 2.66Å; E296-R299 PolarHBondContact OE2-NE 3.04Å; R299-L302 PolarHBondContact O-N 3.07Å; R299-L303 HydrophobicContact CG-CD1 4.25Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 3.49Å; R299-F391 HydrophobicContact CG-CE1 3.99Å; R299-F391 HydrophobicContact CG-CZ 4.11Å; R299-E392 IonicContact CZ-OE1 3.46Å; R299-E392 IonicContact CZ-OE2 2.83Å; R299-E392 VanDerWaalsContact NH1-CD 3.26Å; R299-E392 IonicContact NH1-OE1 3.76Å; R299-E392 PolarHBondContact NH1-OE1 3.25Å; R299-E392 IonicContact NH1-OE2 3.61Å; R299-E392 PolarHBondContact NH1-OE2 3.33Å; R299-E392 VanDerWaalsContact NH1-OE2 3.08Å; R299-E392 IonicContact NH2-OE1 3.44Å; R299-E392 IonicContact NH2-OE2 2.67Å; R299-E392 PolarHBondContact NH2-OE2 3.37Å; R299-F395 HydrophobicContact CB-CE1 4.39Å; R299-F395 HydrophobicContact CB-CE2 4.11Å; R299-F395 HydrophobicContact CB-CZ 3.86Å |
| 300 | C | 95 | Very high | 92.2 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 175.6 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | E296 M297 F298 L302 L303 E304 | E296-C300 PolarHBondContact O-N 3.34Å; E296-C300 PolarHBondContact O-SG 3.46Å; M297-C300 PolarHBondContact O-N 3.11Å; F298-C300 PolarHBondContact O-N 3.23Å; C300-L302 VanDerWaalsContact C-N 3.27Å; C300-L302 PolarHBondContact O-N 3.2Å; C300-L303 PolarHBondContact O-N 2.64Å; C300-E304 WeakPolarHBondContact O-CB 3.4Å; C300-E304 VanDerWaalsContact O-CG 3.31Å; C300-E304 WeakPolarHBondContact O-CG 3.46Å; C300-E304 PolarHBondContact O-N 3.34Å |
| 301 | A | 94.2 | Very high | 92 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F258 M297 F298 T305 I311 | F258-A301 HydrophobicContact CE1-CB 4.25Å; F258-A301 HydrophobicContact CE2-CB 4.37Å; F258-A301 HydrophobicContact CZ-CB 3.84Å; M297-A301 WeakPolarHBondContact O-CB 3.49Å; M297-A301 PolarHBondContact O-N 2.98Å; F298-A301 PolarHBondContact O-N 3.22Å; A301-T305 VanDerWaalsContact O-CB 3.32Å; A301-T305 WeakPolarHBondContact O-CB 3.43Å; A301-T305 WeakPolarHBondContact O-CG2 3.47Å; A301-T305 PolarHBondContact O-N 3.38Å; A301-T305 VanDerWaalsContact O-N 3.09Å; A301-T305 PolarHBondContact O-OG1 3.27Å; A301-I311 HydrophobicContact CB-CD1 4.4Å; A301-I311 HydrophobicContact CB-CG2 4.19Å |
| 302 | L | 93.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 178.4 | -171.9 | 71.4 | 0 | 0 | 0 | 112.2 | F298 R299 C300 T305 D306 G307 I311 I312 I315 W394 F395 I398 | F298-L302 VanDerWaalsContact O-CB 3.29Å; F298-L302 WeakPolarHBondContact O-CB 3.29Å; F298-L302 PolarHBondContact O-N 3.08Å; R299-L302 PolarHBondContact O-N 3.07Å; C300-L302 VanDerWaalsContact C-N 3.27Å; C300-L302 PolarHBondContact O-N 3.2Å; L302-T305 PolarHBondContact O-OG1 2.87Å; L302-D306 PolarHBondContact O-N 3.3Å; L302-G307 PolarHBondContact O-N 3.42Å; L302-I311 HydrophobicContact CB-CG2 4.18Å; L302-I311 HydrophobicContact CD1-CB 4.5Å; L302-I311 HydrophobicContact CD1-CG2 4.1Å; L302-I312 HydrophobicContact CD1-CD1 4.39Å; L302-I312 HydrophobicContact CD1-CG1 3.66Å; L302-I315 HydrophobicContact CD1-CD1 4.45Å; L302-W394 HydrophobicContact CD1-CH2 4.41Å; L302-W394 HydrophobicContact CD2-CH2 3.78Å; L302-W394 HydrophobicContact CD2-CZ3 3.49Å; L302-W394 VanDerWaalsContact CD2-CZ3 3.49Å; L302-W394 HydrophobicContact CG-CH2 4.35Å; L302-W394 HydrophobicContact CG-CZ3 4.38Å; L302-F395 HydrophobicContact CD2-CD2 3.79Å; L302-F395 HydrophobicContact CD2-CE2 3.98Å; L302-I398 HydrophobicContact CD1-CD1 4.44Å; L302-I398 HydrophobicContact CD2-CD1 3.6Å |
| 303 | L | 92.3 | Very high | 91.6 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 45% | 0.45 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 177.8 | -68.9 | 173.5 | 0 | 0 | 0 | 112 | R299 C300 T305 D306 F391 | R299-L303 HydrophobicContact CG-CD1 4.25Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 3.49Å; C300-L303 PolarHBondContact O-N 2.64Å; L303-T305 PolarHBondContact O-N 3.41Å; L303-D306 PolarHBondContact O-N 3Å; L303-F391 HydrophobicContact CD2-CE2 3.83Å; L303-F391 HydrophobicContact CD2-CZ 3.94Å; L303-F391 HydrophobicContact CG-CZ 4.27Å |
| 304 | E | 92.7 | Very high | 91.5 | Very high | 169 Ų | 169 | 43.5 Ų | 43.5 | 79% | 0.79 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.9 | -25.4 | 178.3 | -69.8 | -63.4 | 149.7 | 0 | 0 | 112.9 | C300 | C300-E304 WeakPolarHBondContact O-CB 3.4Å; C300-E304 VanDerWaalsContact O-CG 3.31Å; C300-E304 WeakPolarHBondContact O-CG 3.46Å; C300-E304 PolarHBondContact O-N 3.34Å |
| 305 | T | 89.3 | Confident | 91.4 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 7.8 | 179.8 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | A301 L302 L303 G307 A308 I311 | A301-T305 VanDerWaalsContact O-CB 3.32Å; A301-T305 WeakPolarHBondContact O-CB 3.43Å; A301-T305 WeakPolarHBondContact O-CG2 3.47Å; A301-T305 PolarHBondContact O-N 3.38Å; A301-T305 VanDerWaalsContact O-N 3.09Å; A301-T305 PolarHBondContact O-OG1 3.27Å; L302-T305 PolarHBondContact O-OG1 2.87Å; L303-T305 PolarHBondContact O-N 3.41Å; T305-G307 PolarHBondContact O-N 3.36Å; T305-G307 VanDerWaalsContact O-N 3.16Å; T305-A308 HydrophobicContact CG2-CB 4.47Å; T305-A308 PolarHBondContact O-N 2.63Å; T305-I311 HydrophobicContact CG2-CG1 4.07Å |
| 306 | D | 85.6 | Confident | 91.3 | Very high | 121 Ų | 121 | 44 Ų | 44 | 65% | 0.647 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 40.5 | -174.1 | -158.5 | 33.2 | 0 | 0 | 0 | 113.3 | L302 L303 R433 | L302-D306 PolarHBondContact O-N 3.3Å; L303-D306 PolarHBondContact O-N 3Å; D306-R433 IonicContact OD1-CZ 3.01Å; D306-R433 IonicContact OD1-NH1 2.78Å; D306-R433 PolarHBondContact OD1-NH1 2.87Å; D306-R433 IonicContact OD1-NH2 3.27Å |
| 307 | G | 84 | Confident | 91.2 | Very high | 24 Ų | 24 | 40 Ų | 40 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 82.1 | 31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L302 T305 L309 | L302-G307 PolarHBondContact O-N 3.42Å; T305-G307 PolarHBondContact O-N 3.36Å; T305-G307 VanDerWaalsContact O-N 3.16Å; G307-L309 PolarHBondContact O-N 3.41Å |
| 308 | A | 85.3 | Confident | 91.2 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | trans | -50.7 | 135.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | T305 E310 I311 I312 | T305-A308 HydrophobicContact CG2-CB 4.47Å; T305-A308 PolarHBondContact O-N 2.63Å; A308-E310 PolarHBondContact O-N 3.08Å; A308-I311 HydrophobicContact CB-CG1 4.26Å; A308-I311 PolarHBondContact O-N 3.37Å; A308-I312 PolarHBondContact O-N 2.8Å | ||
| 309 | L | 83.1 | Confident | 91.1 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.1 | -33.8 | -174.8 | -70.2 | 176.1 | 0 | 0 | 0 | 112.2 | G307 I311 I312 A313 E521 | G307-L309 PolarHBondContact O-N 3.41Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.96Å; L309-I312 PolarHBondContact O-N 3.08Å; L309-A313 VanDerWaalsContact O-CB 3.26Å; L309-A313 WeakPolarHBondContact O-CB 3.41Å; L309-A313 PolarHBondContact O-N 3.46Å; L309-E521 HydrophobicContact CD1-CB 4.47Å; L309-E521 HydrophobicContact CD1-CG 4.19Å |
| 310 | E | 85.4 | Confident | 91 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -35.9 | 177.4 | -62.6 | 86.2 | 165.5 | 0 | 0 | 112 | A308 T314 | A308-E310 PolarHBondContact O-N 3.08Å; E310-T314 WeakPolarHBondContact O-CB 3.41Å; E310-T314 PolarHBondContact O-N 3.15Å; E310-T314 PolarHBondContact O-OG1 3.37Å |
| 311 | I | 91 | Very high | 90.9 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.2 | -45.1 | 176.7 | -59 | -57.9 | 0 | 0 | 0 | 109.9 | F258 A301 L302 T305 A308 L309 A313 T314 I315 | F258-I311 HydrophobicContact CE1-CD1 4.48Å; A301-I311 HydrophobicContact CB-CD1 4.4Å; A301-I311 HydrophobicContact CB-CG2 4.19Å; L302-I311 HydrophobicContact CB-CG2 4.18Å; L302-I311 HydrophobicContact CD1-CB 4.5Å; L302-I311 HydrophobicContact CD1-CG2 4.1Å; T305-I311 HydrophobicContact CG2-CG1 4.07Å; A308-I311 HydrophobicContact CB-CG1 4.26Å; A308-I311 PolarHBondContact O-N 3.37Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.96Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 2.62Å; I311-T314 WeakPolarHBondContact O-CB 3.44Å; I311-T314 PolarHBondContact O-N 3.04Å; I311-T314 VanDerWaalsContact O-N 3.14Å; I311-I315 HydrophobicContact CG2-CD1 4Å; I311-I315 HydrophobicContact CG2-CG1 4.48Å; I311-I315 VanDerWaalsContact O-CG1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.49Å; I311-I315 PolarHBondContact O-N 3.19Å |
| 312 | I | 91.5 | Very high | 90.9 | Very high | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.3 | -66 | 175.1 | 0 | 0 | 0 | 110.8 | L302 A308 L309 T314 I315 Q316 | L302-I312 HydrophobicContact CD1-CD1 4.39Å; L302-I312 HydrophobicContact CD1-CG1 3.66Å; A308-I312 PolarHBondContact O-N 2.8Å; L309-I312 PolarHBondContact O-N 3.08Å; I312-T314 VanDerWaalsContact C-N 3.33Å; I312-T314 PolarHBondContact O-N 3.07Å; I312-I315 PolarHBondContact O-N 3.37Å; I312-Q316 VanDerWaalsContact CG2-NE2 3.34Å; I312-Q316 VanDerWaalsContact O-CG 3.32Å; I312-Q316 WeakPolarHBondContact O-CG 3.48Å; I312-Q316 PolarHBondContact O-N 3.3Å |
| 313 | A | 90.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L269 L309 I311 Q316 V317 | L269-A313 HydrophobicContact CD2-CB 3.67Å; L309-A313 VanDerWaalsContact O-CB 3.26Å; L309-A313 WeakPolarHBondContact O-CB 3.41Å; L309-A313 PolarHBondContact O-N 3.46Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 2.62Å; A313-Q316 PolarHBondContact O-N 3.07Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.35Å |
| 314 | T | 92.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 176.9 | -60 | 0 | 0 | 0 | 0 | 111.6 | L261 I276 F298 E310 I311 I312 Q316 V317 F318 | L261-T314 HydrophobicContact CD1-CG2 3.41Å; L261-T314 VanDerWaalsContact CD1-CG2 3.41Å; I276-T314 HydrophobicContact CD1-CG2 4.16Å; F298-T314 HydrophobicContact CE1-CG2 3.7Å; F298-T314 HydrophobicContact CZ-CG2 4.19Å; E310-T314 WeakPolarHBondContact O-CB 3.41Å; E310-T314 PolarHBondContact O-N 3.15Å; E310-T314 PolarHBondContact O-OG1 3.37Å; I311-T314 WeakPolarHBondContact O-CB 3.44Å; I311-T314 PolarHBondContact O-N 3.04Å; I311-T314 VanDerWaalsContact O-N 3.14Å; I312-T314 VanDerWaalsContact C-N 3.33Å; I312-T314 PolarHBondContact O-N 3.07Å; T314-Q316 VanDerWaalsContact C-N 3.32Å; T314-Q316 PolarHBondContact O-N 3.41Å; T314-V317 PolarHBondContact O-N 3.26Å; T314-F318 VanDerWaalsContact O-CB 3.28Å; T314-F318 WeakPolarHBondContact O-CB 3.4Å; T314-F318 PolarHBondContact O-N 3.45Å |
| 315 | I | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.9 | -68.8 | 167.4 | 0 | 0 | 0 | 110.5 | F298 L302 I311 I312 F318 T319 F395 I398 H399 | F298-I315 HydrophobicContact CB-CD1 3.98Å; F298-I315 HydrophobicContact CB-CG1 3.8Å; F298-I315 HydrophobicContact CD1-CG1 3.7Å; F298-I315 HydrophobicContact CD2-CG1 4.36Å; F298-I315 HydrophobicContact CE1-CG1 4.38Å; F298-I315 HydrophobicContact CG-CD1 4.43Å; F298-I315 HydrophobicContact CG-CG1 3.71Å; L302-I315 HydrophobicContact CD1-CD1 4.45Å; I311-I315 HydrophobicContact CG2-CD1 4Å; I311-I315 HydrophobicContact CG2-CG1 4.48Å; I311-I315 VanDerWaalsContact O-CG1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.49Å; I311-I315 PolarHBondContact O-N 3.19Å; I312-I315 PolarHBondContact O-N 3.37Å; I315-F318 PolarHBondContact O-N 2.9Å; I315-T319 WeakPolarHBondContact O-CB 3.45Å; I315-T319 PolarHBondContact O-N 2.82Å; I315-T319 PolarHBondContact O-OG1 3.28Å; I315-F395 HydrophobicContact CD1-CE2 4.24Å; I315-I398 HydrophobicContact CD1-CD1 3.92Å; I315-H399 WeakPolarHBondContact CG2-ND1 3.33Å |
| 316 | Q | 93.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 179.4 | -73.9 | 168.4 | 3.8 | 0 | 0 | 112.2 | I312 A313 T314 T319 Q320 I398 Y429 | I312-Q316 VanDerWaalsContact CG2-NE2 3.34Å; I312-Q316 VanDerWaalsContact O-CG 3.32Å; I312-Q316 WeakPolarHBondContact O-CG 3.48Å; I312-Q316 PolarHBondContact O-N 3.3Å; A313-Q316 PolarHBondContact O-N 3.07Å; T314-Q316 VanDerWaalsContact C-N 3.32Å; T314-Q316 PolarHBondContact O-N 3.41Å; Q316-T319 PolarHBondContact O-N 3.31Å; Q316-Q320 PolarHBondContact O-N 2.81Å; Q316-I398 WeakPolarHBondContact CG-O 3.22Å; Q316-I398 PolarHBondContact NE2-O 2.9Å; Q316-Y429 PolarHBondContact NE2-OH 2.95Å; Q316-Y429 VanDerWaalsContact NE2-OH 3.11Å |
| 317 | V | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | L269 I272 E273 I276 A313 T314 Q320 C321 | L269-V317 HydrophobicContact CB-CG2 4.46Å; L269-V317 HydrophobicContact CD2-CG2 3.92Å; I272-V317 HydrophobicContact CG2-CB 4.17Å; I272-V317 HydrophobicContact CG2-CG1 4.28Å; I272-V317 HydrophobicContact CG2-CG2 4.34Å; E273-V317 VanDerWaalsContact CA-CG1 3.47Å; E273-V317 HydrophobicContact CB-CG1 3.64Å; E273-V317 HydrophobicContact CG-CG1 4.12Å; I276-V317 HydrophobicContact CD1-CB 3.79Å; I276-V317 HydrophobicContact CD1-CG1 3.62Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.35Å; T314-V317 PolarHBondContact O-N 3.26Å; V317-Q320 PolarHBondContact O-N 3.27Å; V317-C321 PolarHBondContact O-N 3.07Å; V317-C321 PolarHBondContact O-SG 3.15Å |
| 318 | F | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 175.2 | 172.3 | -94.1 | 0 | 0 | 0 | 110.9 | I276 L281 P282 A285 F291 V294 F298 T314 I315 Q320 C321 F322 | I276-F318 HydrophobicContact CD1-CB 4.08Å; I276-F318 HydrophobicContact CG2-CB 4.5Å; I276-F318 HydrophobicContact CG2-CD2 4.27Å; L281-F318 HydrophobicContact CB-CE2 4.04Å; P282-F318 HydrophobicContact CG-CD2 4.17Å; P282-F318 HydrophobicContact CG-CE2 4.15Å; A285-F318 HydrophobicContact CB-CZ 3.84Å; F291-F318 HydrophobicContact CD2-CE1 4.49Å; F291-F318 HydrophobicContact CE2-CE1 4.26Å; V294-F318 HydrophobicContact CB-CZ 4.39Å; V294-F318 HydrophobicContact CG1-CE1 3.85Å; V294-F318 HydrophobicContact CG1-CE2 3.83Å; V294-F318 HydrophobicContact CG1-CZ 3.46Å; V294-F318 VanDerWaalsContact CG1-CZ 3.46Å; F298-F318 HydrophobicContact CD2-CD1 4.36Å; F298-F318 HydrophobicContact CE2-CB 3.96Å; F298-F318 AromaticContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD1 3.56Å; F298-F318 HydrophobicContact CE2-CD2 4.03Å; F298-F318 HydrophobicContact CE2-CE1 4.06Å; F298-F318 HydrophobicContact CE2-CE2 4.48Å; F298-F318 AromaticContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CG 3.55Å; F298-F318 HydrophobicContact CE2-CZ 4.5Å; F298-F318 HydrophobicContact CZ-CB 3.91Å; F298-F318 HydrophobicContact CZ-CD1 4.36Å; F298-F318 HydrophobicContact CZ-CD2 4.23Å; F298-F318 AromaticContact CZ-CG 3.89Å; F298-F318 HydrophobicContact CZ-CG 3.89Å; T314-F318 VanDerWaalsContact O-CB 3.28Å; T314-F318 WeakPolarHBondContact O-CB 3.4Å; T314-F318 PolarHBondContact O-N 3.45Å; I315-F318 PolarHBondContact O-N 2.9Å; F318-Q320 VanDerWaalsContact C-N 3.28Å; F318-Q320 PolarHBondContact O-N 3.5Å; F318-C321 PolarHBondContact O-N 2.98Å; F318-C321 VanDerWaalsContact O-N 3.15Å; F318-F322 HydrophobicContact CE1-CB 4.28Å; F318-F322 HydrophobicContact CZ-CB 4.45Å; F318-F322 WeakPolarHBondContact O-CB 3.29Å; F318-F322 PolarHBondContact O-N 3.31Å |
| 319 | T | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 179.6 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | I315 Q316 F322 V323 H399 F400 | I315-T319 WeakPolarHBondContact O-CB 3.45Å; I315-T319 PolarHBondContact O-N 2.82Å; I315-T319 PolarHBondContact O-OG1 3.28Å; Q316-T319 PolarHBondContact O-N 3.31Å; T319-F322 WeakPolarHBondContact O-CB 3.32Å; T319-F322 PolarHBondContact O-N 2.93Å; T319-V323 HydrophobicContact CG2-CG2 4.47Å; T319-V323 WeakPolarHBondContact O-CG2 3.42Å; T319-V323 PolarHBondContact O-N 3.03Å; T319-H399 WeakPolarHBondContact CB-O 3.47Å; T319-H399 HydrophobicContact CG2-CB 3.91Å; T319-H399 PolarHBondContact OG1-ND1 2.84Å; T319-F400 HydrophobicContact CG2-CD1 4.23Å; T319-F400 HydrophobicContact CG2-CE1 3.83Å; T319-F400 HydrophobicContact CG2-CZ 4.12Å |
| 320 | Q | 91.6 | Very high | 89.6 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 12% | 0.117 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 175.8 | -176.5 | -166 | -33.4 | 0 | 0 | 111.6 | Q316 V317 F318 F322 V323 E324 Y531 R535 | Q316-Q320 PolarHBondContact O-N 2.81Å; V317-Q320 PolarHBondContact O-N 3.27Å; F318-Q320 VanDerWaalsContact C-N 3.28Å; F318-Q320 PolarHBondContact O-N 3.5Å; Q320-F322 PolarHBondContact O-N 2.94Å; Q320-V323 PolarHBondContact O-N 2.7Å; Q320-E324 PolarHBondContact NE2-OE1 3.16Å; Q320-E324 WeakPolarHBondContact O-CG 3.25Å; Q320-E324 PolarHBondContact O-N 2.93Å; Q320-Y531 PolarHBondContact NE2-OH 3.02Å; Q320-Y531 VanDerWaalsContact OE1-CE1 3.23Å; Q320-Y531 PolarHBondContact OE1-OH 2.87Å; Q320-Y531 VanDerWaalsContact OE1-OH 3.07Å; Q320-R535 VanDerWaalsContact CD-CD 3.45Å |
| 321 | C | 94 | Very high | 88.4 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -35.5 | 179 | -67.4 | 0 | 0 | 0 | 0 | 112 | I276 P282 V317 F318 A325 | I276-C321 HydrophobicContact CG2-CB 3.84Å; P282-C321 HydrophobicContact CB-CB 3.82Å; P282-C321 HydrophobicContact CG-CB 3.68Å; V317-C321 PolarHBondContact O-N 3.07Å; V317-C321 PolarHBondContact O-SG 3.15Å; F318-C321 PolarHBondContact O-N 2.98Å; F318-C321 VanDerWaalsContact O-N 3.15Å; C321-A325 WeakPolarHBondContact O-CB 3.2Å; C321-A325 PolarHBondContact O-N 3.46Å |
| 322 | F | 94.5 | Very high | 86.6 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 176 | 160.5 | -105.4 | 0 | 0 | 0 | 111.5 | A285 F291 F318 T319 Q320 E324 A325 L326 Y340 | A285-F322 HydrophobicContact CB-CD2 4.02Å; A285-F322 HydrophobicContact CB-CE2 4.45Å; A285-F322 WeakPolarHBondContact O-CE2 3.41Å; F291-F322 HydrophobicContact CD2-CD1 4.23Å; F291-F322 HydrophobicContact CD2-CD2 4.04Å; F291-F322 AromaticContact CD2-CE1 3.98Å; F291-F322 HydrophobicContact CD2-CE1 3.98Å; F291-F322 AromaticContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CE2 3.79Å; F291-F322 HydrophobicContact CD2-CG 4.25Å; F291-F322 AromaticContact CD2-CZ 3.75Å; F291-F322 HydrophobicContact CD2-CZ 3.75Å; F291-F322 AromaticContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD1 3.76Å; F291-F322 HydrophobicContact CE2-CD2 4.38Å; F291-F322 AromaticContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE1 3.63Å; F291-F322 HydrophobicContact CE2-CE2 4.27Å; F291-F322 HydrophobicContact CE2-CG 4.13Å; F291-F322 AromaticContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CE2-CZ 3.91Å; F291-F322 HydrophobicContact CZ-CE1 4.49Å; F318-F322 HydrophobicContact CE1-CB 4.28Å; F318-F322 HydrophobicContact CZ-CB 4.45Å; F318-F322 WeakPolarHBondContact O-CB 3.29Å; F318-F322 PolarHBondContact O-N 3.31Å; T319-F322 WeakPolarHBondContact O-CB 3.32Å; T319-F322 PolarHBondContact O-N 2.93Å; Q320-F322 PolarHBondContact O-N 2.94Å; F322-E324 PolarHBondContact O-N 2.89Å; F322-A325 WeakPolarHBondContact O-CB 3.37Å; F322-A325 PolarHBondContact O-N 3.15Å; F322-A325 VanDerWaalsContact O-N 3.15Å; F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CZ-CD2 4.1Å; F322-L326 WeakPolarHBondContact O-CB 3.43Å; F322-L326 PolarHBondContact O-N 3.24Å; F322-Y340 HydrophobicContact CE2-CD1 4.09Å; F322-Y340 AromaticContact CE2-CE1 3.84Å; F322-Y340 HydrophobicContact CE2-CE1 3.84Å; F322-Y340 AromaticContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD2 4.4Å; F322-Y340 AromaticContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE2 4.46Å; F322-Y340 AromaticContact CZ-CG 3.97Å; F322-Y340 HydrophobicContact CZ-CG 3.97Å |
| 323 | V | 90.7 | Very high | 84.9 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | T319 Q320 A325 L326 E327 L353 | T319-V323 HydrophobicContact CG2-CG2 4.47Å; T319-V323 WeakPolarHBondContact O-CG2 3.42Å; T319-V323 PolarHBondContact O-N 3.03Å; Q320-V323 PolarHBondContact O-N 2.7Å; V323-A325 VanDerWaalsContact C-N 3.27Å; V323-A325 PolarHBondContact O-N 2.83Å; V323-L326 PolarHBondContact O-N 3.5Å; V323-L326 VanDerWaalsContact O-N 3.16Å; V323-E327 WeakPolarHBondContact O-CG 3.1Å; V323-E327 PolarHBondContact O-N 3.16Å; V323-L353 HydrophobicContact CG2-CD2 3.82Å |
| 324 | E | 90.2 | Very high | 83.9 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 174.3 | -71.2 | 176.3 | -157.8 | 0 | 0 | 112.3 | K277 Q320 F322 K328 | K277-E324 IonicContact NZ-OE2 2.76Å; Q320-E324 PolarHBondContact NE2-OE1 3.16Å; Q320-E324 WeakPolarHBondContact O-CG 3.25Å; Q320-E324 PolarHBondContact O-N 2.93Å; F322-E324 PolarHBondContact O-N 2.89Å; E324-K328 WeakPolarHBondContact O-CD 3.2Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.42Å; E324-K328 PolarHBondContact O-N 3Å |
| 325 | A | 92 | Very high | 83.2 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q283 C321 F322 V323 E327 K328 A329 | Q283-A325 HydrophobicContact CG-CB 4.36Å; C321-A325 WeakPolarHBondContact O-CB 3.2Å; C321-A325 PolarHBondContact O-N 3.46Å; F322-A325 WeakPolarHBondContact O-CB 3.37Å; F322-A325 PolarHBondContact O-N 3.15Å; F322-A325 VanDerWaalsContact O-N 3.15Å; V323-A325 VanDerWaalsContact C-N 3.27Å; V323-A325 PolarHBondContact O-N 2.83Å; A325-E327 VanDerWaalsContact C-N 3.33Å; A325-K328 PolarHBondContact O-N 3.09Å; A325-A329 WeakPolarHBondContact O-CB 3.31Å; A325-A329 PolarHBondContact O-N 3.39Å |
| 326 | L | 88.9 | Confident | 82.5 | Confident | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 178.1 | -174.6 | 65.3 | 0 | 0 | 0 | 111.9 | F322 V323 Y340 | F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CZ-CD2 4.1Å; F322-L326 WeakPolarHBondContact O-CB 3.43Å; F322-L326 PolarHBondContact O-N 3.24Å; V323-L326 PolarHBondContact O-N 3.5Å; V323-L326 VanDerWaalsContact O-N 3.16Å; L326-Y340 HydrophobicContact CD1-CE2 4.4Å; L326-Y340 WeakPolarHBondContact CD1-OH 3.26Å; L326-Y340 HydrophobicContact CD2-CE2 4.36Å |
| 327 | E | 86 | Confident | 81.8 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 174 | -75.3 | 178.3 | 176 | 0 | 0 | 112.5 | V323 A325 A329 | V323-E327 WeakPolarHBondContact O-CG 3.1Å; V323-E327 PolarHBondContact O-N 3.16Å; A325-E327 VanDerWaalsContact C-N 3.33Å; E327-A329 VanDerWaalsContact C-N 3.35Å |
| 328 | K | 87.1 | Confident | 81.3 | Confident | 167 Ų | 167 | 69.4 Ų | 69.4 | 73% | 0.726 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -72.5 | -26.4 | 177.7 | -70.9 | 169.7 | -172.7 | 165.1 | 0 | 113 | E324 A325 | E324-K328 WeakPolarHBondContact O-CD 3.2Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.42Å; E324-K328 PolarHBondContact O-N 3Å; A325-K328 PolarHBondContact O-N 3.09Å |
| 329 | A | 79.8 | Confident | 80.8 | Confident | 23 Ų | 23 | 71 Ų | 71 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -58.8 | 139.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A325 E327 | A325-A329 WeakPolarHBondContact O-CB 3.31Å; A325-A329 PolarHBondContact O-N 3.39Å; E327-A329 VanDerWaalsContact C-N 3.35Å |
| 330 | S | 62.1 | Low | 80.5 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | trans | -56.9 | 146.4 | 179.7 | 70.2 | 0 | 0 | 0 | 0 | 110.2 | Q332 L333 | S330-Q332 PolarHBondContact O-N 3.01Å; S330-L333 PolarHBondContact O-N 3.37Å | ||
| 331 | K | 62.1 | Low | 80.4 | Confident | 185 Ų | 185 | 70.3 Ų | 70.3 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -52.2 | -20.3 | -180 | -68.2 | -176.1 | 179.9 | -179.7 | 0 | 113.7 | L333 | K331-L333 VanDerWaalsContact C-N 3.31Å; K331-L333 PolarHBondContact O-N 3.02Å |
| 332 | Q | 52.5 | Low | 79.9 | Confident | 188 Ų | 188 | 72.2 Ų | 72.2 | 88% | 0.879 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -69.3 | -22.1 | 179.9 | -67.7 | 179 | -14.7 | 0 | 0 | 113.9 | S330 | S330-Q332 PolarHBondContact O-N 3.01Š|
| 333 | L | 56.4 | Low | 79.2 | Confident | 87 Ų | 87 | 77.8 Ų | 77.8 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -104.3 | 12.7 | -176.8 | -93.8 | 140.7 | 0 | 0 | 0 | 114.1 | S330 K331 F335 | S330-L333 PolarHBondContact O-N 3.37Å; K331-L333 VanDerWaalsContact C-N 3.31Å; K331-L333 PolarHBondContact O-N 3.02Å; L333-F335 HydrophobicContact CD2-CE2 4.04Å; L333-F335 WeakPolarHBondContact O-CD2 3.42Å; L333-F335 PolarHBondContact O-N 3.19Å |
| 334 | R | 67.9 | Low | 78.6 | Confident | 148 Ų | 148 | 77.5 Ų | 77.5 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | trans | -78.3 | 95.6 | -178.3 | -73 | -170 | 175.4 | -175.8 | -2.5 | 111.6 | ||||
| 335 | F | 78.4 | Confident | 78.3 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -70.8 | 154.8 | 166.5 | -60 | -86.6 | 0 | 0 | 0 | 111.4 | P288 L333 T339 Y340 | P288-F335 HydrophobicContact CG-CB 3.63Å; P288-F335 HydrophobicContact CG-CD1 3.86Å; P288-F335 HydrophobicContact CG-CD2 3.58Å; P288-F335 HydrophobicContact CG-CE1 4.39Å; P288-F335 HydrophobicContact CG-CE2 4.15Å; P288-F335 HydrophobicContact CG-CG 3.4Å; P288-F335 VanDerWaalsContact CG-CG 3.4Å; L333-F335 HydrophobicContact CD2-CE2 4.04Å; L333-F335 WeakPolarHBondContact O-CD2 3.42Å; L333-F335 PolarHBondContact O-N 3.19Å; F335-T339 HydrophobicContact CB-CG2 4.43Å; F335-T339 WeakPolarHBondContact CB-OG1 3.33Å; F335-Y340 HydrophobicContact CB-CE2 4.1Å | ||
| 336 | A | 81.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 80.7 Ų | 80.7 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | trans | -65.5 | 143.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K338 T339 | A336-K338 HydrophobicContact CB-CG 4.03Å; A336-K338 PolarHBondContact O-N 3.49Å; A336-K338 VanDerWaalsContact O-N 3.11Å; A336-T339 HydrophobicContact CB-CG2 4.41Å; A336-T339 VanDerWaalsContact O-CB 3.29Å; A336-T339 WeakPolarHBondContact O-CB 3.49Å; A336-T339 WeakPolarHBondContact O-CG2 3.34Å; A336-T339 PolarHBondContact O-N 3.49Å; A336-T339 PolarHBondContact O-OG1 3.45Å | ||
| 337 | L | 78.5 | Confident | 77.8 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.8 | -35.8 | -176.6 | -66.6 | 175.4 | 0 | 0 | 0 | 114.2 | T339 Y340 F341 M350 L353 | L337-T339 PolarHBondContact O-N 3.38Å; L337-Y340 PolarHBondContact O-N 2.96Å; L337-F341 PolarHBondContact O-N 3.18Å; L337-M350 HydrophobicContact CD1-CG 3.67Å; L337-L353 HydrophobicContact CB-CD1 4.46Å; L337-L353 HydrophobicContact CD1-CD1 3.56Å; L337-L353 HydrophobicContact CD2-CD1 3.34Å; L337-L353 HydrophobicContact CG-CD1 3.93Å |
| 338 | K | 82.5 | Confident | 78.1 | Confident | 141 Ų | 141 | 76.9 Ų | 76.9 | 61% | 0.613 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.4 | -17.6 | 173.6 | 69.4 | 175.7 | -176.3 | 177.1 | 0 | 114.6 | A336 P342 | A336-K338 HydrophobicContact CB-CG 4.03Å; A336-K338 PolarHBondContact O-N 3.49Å; A336-K338 VanDerWaalsContact O-N 3.11Å; K338-P342 WeakPolarHBondContact O-CA 3.47Å |
| 339 | T | 86.2 | Confident | 78.1 | Confident | 32 Ų | 32 | 69 Ų | 69 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -76.8 | -33.9 | 177.4 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | P288 R292 F335 A336 L337 | P288-T339 WeakPolarHBondContact CG-OG1 3.42Å; R292-T339 PolarHBondContact NE-O 3.47Å; R292-T339 PolarHBondContact NH2-O 2.82Å; F335-T339 HydrophobicContact CB-CG2 4.43Å; F335-T339 WeakPolarHBondContact CB-OG1 3.33Å; A336-T339 HydrophobicContact CB-CG2 4.41Å; A336-T339 VanDerWaalsContact O-CB 3.29Å; A336-T339 WeakPolarHBondContact O-CB 3.49Å; A336-T339 WeakPolarHBondContact O-CG2 3.34Å; A336-T339 PolarHBondContact O-N 3.49Å; A336-T339 PolarHBondContact O-OG1 3.45Å; L337-T339 PolarHBondContact O-N 3.38Å |
| 340 | Y | 88.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -79.6 | -46.2 | 175.8 | -57.9 | -74.8 | 0 | 0 | 0 | 111.3 | A285 C286 P288 F291 F322 L326 F335 L337 P342 | A285-Y340 WeakPolarHBondContact O-CE1 3.32Å; C286-Y340 PolarHBondContact O-OH 2.94Å; P288-Y340 HydrophobicContact CB-CD1 4.29Å; P288-Y340 HydrophobicContact CB-CE1 4.22Å; P288-Y340 HydrophobicContact CG-CD1 4.32Å; P288-Y340 HydrophobicContact CG-CE1 3.82Å; F291-Y340 HydrophobicContact CB-CD1 3.8Å; F291-Y340 HydrophobicContact CB-CE1 4.34Å; F291-Y340 HydrophobicContact CD1-CD1 4.06Å; F291-Y340 WeakPolarHBondContact CD1-O 3.34Å; F291-Y340 HydrophobicContact CD2-CD1 4.04Å; F291-Y340 WeakPolarHBondContact CE1-O 3.38Å; F291-Y340 AromaticContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CD1 3.69Å; F291-Y340 HydrophobicContact CG-CG 4.5Å; F322-Y340 HydrophobicContact CE2-CD1 4.09Å; F322-Y340 AromaticContact CE2-CE1 3.84Å; F322-Y340 HydrophobicContact CE2-CE1 3.84Å; F322-Y340 AromaticContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD1 3.57Å; F322-Y340 HydrophobicContact CZ-CD2 4.4Å; F322-Y340 AromaticContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE1 3.64Å; F322-Y340 HydrophobicContact CZ-CE2 4.46Å; F322-Y340 AromaticContact CZ-CG 3.97Å; F322-Y340 HydrophobicContact CZ-CG 3.97Å; L326-Y340 HydrophobicContact CD1-CE2 4.4Å; L326-Y340 WeakPolarHBondContact CD1-OH 3.26Å; L326-Y340 HydrophobicContact CD2-CE2 4.36Å; F335-Y340 HydrophobicContact CB-CE2 4.1Å; L337-Y340 PolarHBondContact O-N 2.96Å; Y340-P342 VanDerWaalsContact C-CD 3.44Å; Y340-P342 WeakPolarHBondContact O-CD 3.16Å |
| 341 | F | 88 | Confident | 80 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 6% | 0.057 | 35% | 0.353 | C | S | . | . | trans | -115.2 | 73.1 | -178.2 | -56.1 | -74.3 | 0 | 0 | 0 | 112 | F291 L337 Y343 T344 A349 L396 F400 | F291-F341 HydrophobicContact CE1-CD1 4.24Å; F291-F341 AromaticContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CE1 3.95Å; F291-F341 HydrophobicContact CE1-CZ 4.3Å; F291-F341 HydrophobicContact CE2-CZ 4.45Å; F291-F341 HydrophobicContact CZ-CD1 4.3Å; F291-F341 AromaticContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE1 3.57Å; F291-F341 HydrophobicContact CZ-CE2 4.43Å; F291-F341 AromaticContact CZ-CZ 3.64Å; F291-F341 HydrophobicContact CZ-CZ 3.64Å; L337-F341 PolarHBondContact O-N 3.18Å; F341-Y343 VanDerWaalsContact C-N 3.32Å; F341-Y343 PolarHBondContact O-N 2.86Å; F341-T344 PolarHBondContact O-OG1 3.34Å; F341-A349 HydrophobicContact CD2-CB 4.47Å; F341-L396 HydrophobicContact CB-CD1 4.22Å; F341-L396 HydrophobicContact CD1-CD1 3.42Å; F341-L396 VanDerWaalsContact CD1-CD1 3.42Å; F341-L396 HydrophobicContact CD2-CD1 4.27Å; F341-L396 HydrophobicContact CE1-CD1 3.72Å; F341-L396 HydrophobicContact CG-CD1 3.71Å; F341-L396 HydrophobicContact CZ-CD1 4.27Å; F341-F400 HydrophobicContact CE2-CE2 4.45Å; F341-F400 HydrophobicContact CE2-CZ 4.12Å; F341-F400 HydrophobicContact CZ-CE2 4.13Å; F341-F400 AromaticContact CZ-CZ 3.96Å; F341-F400 HydrophobicContact CZ-CZ 3.96Å | ||
| 342 | P | 83.3 | Confident | 81.5 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.8 | -172.8 | 29 | -35.9 | 0 | 0 | 0 | 114.5 | K338 Y340 | K338-P342 WeakPolarHBondContact O-CA 3.47Å; Y340-P342 VanDerWaalsContact C-CD 3.44Å; Y340-P342 WeakPolarHBondContact O-CD 3.16Å |
| 343 | Y | 80.7 | Confident | 83.3 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 15.5 | -173.3 | -53.3 | -66.9 | 0 | 0 | 0 | 114 | F341 C387 | F341-Y343 VanDerWaalsContact C-N 3.32Å; F341-Y343 PolarHBondContact O-N 2.86Å; Y343-C387 CarbonylContact C-O 3.38Å |
| 344 | T | 78.6 | Confident | 84.7 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -137.6 | 160.7 | -173.8 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | F341 P346 L396 | F341-T344 PolarHBondContact O-OG1 3.34Å; T344-P346 WeakPolarHBondContact O-CD 3.5Å; T344-L396 HydrophobicContact CG2-CB 3.86Å; T344-L396 HydrophobicContact CG2-CD2 3.74Å; T344-L396 HydrophobicContact CG2-CG 4.27Å |
| 345 | S | 82.3 | Confident | 85.5 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | trans | -59.8 | 124 | 173.9 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | S347 L348 A349 | S345-S347 PolarHBondContact O-N 3.49Å; S345-S347 VanDerWaalsContact O-N 3.15Å; S345-S347 PolarHBondContact OG-N 3.22Å; S345-L348 PolarHBondContact O-N 3.21Å; S345-A349 PolarHBondContact O-N 3.39Å; S345-A349 VanDerWaalsContact O-N 3.13Å | ||
| 346 | P | 84.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.4 | -33 | 176.1 | -27 | 35.2 | 0 | 0 | 0 | 113 | T344 M350 | T344-P346 WeakPolarHBondContact O-CD 3.5Å; P346-M350 WeakPolarHBondContact O-CB 3.22Å; P346-M350 VanDerWaalsContact O-CG 3.25Å; P346-M350 WeakPolarHBondContact O-CG 3.47Å; P346-M350 PolarHBondContact O-N 3.1Å |
| 347 | S | 88.1 | Confident | 85.7 | Confident | 57 Ų | 57 | 48.3 Ų | 48.3 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | S345 M350 V351 | S345-S347 PolarHBondContact O-N 3.49Å; S345-S347 VanDerWaalsContact O-N 3.15Å; S345-S347 PolarHBondContact OG-N 3.22Å; S347-M350 PolarHBondContact O-N 3.02Å; S347-V351 WeakPolarHBondContact O-CG2 3.35Å; S347-V351 PolarHBondContact O-N 3Å |
| 348 | L | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 178.2 | 177.2 | 61.5 | 0 | 0 | 0 | 111.3 | S345 M350 V351 L352 L374 L375 L396 | S345-L348 PolarHBondContact O-N 3.21Å; L348-M350 VanDerWaalsContact C-N 3.31Å; L348-M350 PolarHBondContact O-N 2.86Å; L348-V351 PolarHBondContact O-N 3.35Å; L348-L352 HydrophobicContact CD1-CD1 3.83Å; L348-L352 HydrophobicContact CD1-CG 4.06Å; L348-L352 HydrophobicContact CG-CD1 3.89Å; L348-L352 HydrophobicContact CG-CG 4.48Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.37Å; L348-L374 HydrophobicContact CB-CB 4.43Å; L348-L374 HydrophobicContact CB-CD1 4.49Å; L348-L374 HydrophobicContact CD1-CB 4Å; L348-L374 HydrophobicContact CD1-CD1 4.49Å; L348-L375 HydrophobicContact CD1-CD2 4.16Å; L348-L375 HydrophobicContact CD1-CG 3.89Å; L348-L375 HydrophobicContact CD2-CD2 3.53Å; L348-L375 HydrophobicContact CD2-CG 4.13Å; L348-L375 HydrophobicContact CG-CD2 4.47Å; L348-L396 HydrophobicContact CD2-CD2 3.8Å; L348-L396 HydrophobicContact CG-CD2 3.83Å |
| 349 | A | 88.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F341 S345 V351 L352 L353 L396 | F341-A349 HydrophobicContact CD2-CB 4.47Å; S345-A349 PolarHBondContact O-N 3.39Å; S345-A349 VanDerWaalsContact O-N 3.13Å; A349-V351 VanDerWaalsContact C-N 3.35Å; A349-V351 PolarHBondContact O-N 2.83Å; A349-L352 PolarHBondContact O-N 3.12Å; A349-L353 WeakPolarHBondContact O-CB 3.3Å; A349-L353 WeakPolarHBondContact O-CD1 3.48Å; A349-L353 WeakPolarHBondContact O-CG 3.48Å; A349-L353 PolarHBondContact O-N 3.21Å; A349-L353 VanDerWaalsContact O-N 3.08Å; A349-L396 HydrophobicContact CB-CD2 4.38Å |
| 350 | M | 90 | Very high | 86 | Confident | 101 Ų | 101 | 48.6 Ų | 48.6 | 50% | 0.498 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 177.2 | -79.8 | -169.4 | -52.9 | 0 | 0 | 113.2 | L337 P346 S347 L348 | L337-M350 HydrophobicContact CD1-CG 3.67Å; P346-M350 WeakPolarHBondContact O-CB 3.22Å; P346-M350 VanDerWaalsContact O-CG 3.25Å; P346-M350 WeakPolarHBondContact O-CG 3.47Å; P346-M350 PolarHBondContact O-N 3.1Å; S347-M350 PolarHBondContact O-N 3.02Å; L348-M350 VanDerWaalsContact C-N 3.31Å; L348-M350 PolarHBondContact O-N 2.86Å |
| 351 | V | 91.8 | Very high | 85.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.085 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.8 | -41.5 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | S347 L348 A349 L353 Q354 T367 I371 L374 | S347-V351 WeakPolarHBondContact O-CG2 3.35Å; S347-V351 PolarHBondContact O-N 3Å; L348-V351 PolarHBondContact O-N 3.35Å; A349-V351 VanDerWaalsContact C-N 3.35Å; A349-V351 PolarHBondContact O-N 2.83Å; V351-L353 VanDerWaalsContact C-N 3.31Å; V351-L353 PolarHBondContact O-N 3.45Å; V351-Q354 PolarHBondContact O-N 3.48Å; V351-T367 HydrophobicContact CG1-CG2 4.23Å; V351-I371 HydrophobicContact CG1-CD1 4.02Å; V351-I371 HydrophobicContact CG1-CG1 3.44Å; V351-I371 VanDerWaalsContact CG1-CG1 3.44Å; V351-L374 HydrophobicContact CG2-CD1 4.06Å |
| 352 | L | 92.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.8 | -29 | -179 | -70.3 | 173.7 | 0 | 0 | 0 | 113.7 | L348 A349 Q354 I371 L396 F397 F400 W403 | L348-L352 HydrophobicContact CD1-CD1 3.83Å; L348-L352 HydrophobicContact CD1-CG 4.06Å; L348-L352 HydrophobicContact CG-CD1 3.89Å; L348-L352 HydrophobicContact CG-CG 4.48Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.37Å; A349-L352 PolarHBondContact O-N 3.12Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.89Å; L352-I371 HydrophobicContact CD2-CD1 4.16Å; L352-I371 HydrophobicContact CD2-CG1 4.37Å; L352-I371 HydrophobicContact CD2-CG2 3.93Å; L352-L396 HydrophobicContact CD1-CD2 3.82Å; L352-L396 HydrophobicContact CD1-CG 3.81Å; L352-F397 HydrophobicContact CD2-CD2 3.93Å; L352-F397 HydrophobicContact CD2-CE2 4.22Å; L352-F400 HydrophobicContact CB-CB 4.18Å; L352-F400 HydrophobicContact CB-CD1 4.38Å; L352-F400 HydrophobicContact CB-CD2 3.54Å; L352-F400 HydrophobicContact CB-CE2 3.96Å; L352-F400 HydrophobicContact CB-CG 3.78Å; L352-F400 HydrophobicContact CD1-CD2 3.95Å; L352-F400 HydrophobicContact CD2-CB 4.32Å; L352-F400 HydrophobicContact CG-CD2 4.27Å; L352-F400 VanDerWaalsContact O-CD1 3.26Å; L352-F400 WeakPolarHBondContact O-CD1 3.3Å; L352-W403 HydrophobicContact CD2-CG 4.27Å; L352-W403 PolarHBondContact O-NE1 2.93Å |
| 353 | L | 89.3 | Confident | 85.3 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.1 | 177.9 | -82.1 | 161.9 | 0 | 0 | 0 | 114.7 | V323 L337 A349 V351 D355 F400 | V323-L353 HydrophobicContact CG2-CD2 3.82Å; L337-L353 HydrophobicContact CB-CD1 4.46Å; L337-L353 HydrophobicContact CD1-CD1 3.56Å; L337-L353 HydrophobicContact CD2-CD1 3.34Å; L337-L353 HydrophobicContact CG-CD1 3.93Å; A349-L353 WeakPolarHBondContact O-CB 3.3Å; A349-L353 WeakPolarHBondContact O-CD1 3.48Å; A349-L353 WeakPolarHBondContact O-CG 3.48Å; A349-L353 PolarHBondContact O-N 3.21Å; A349-L353 VanDerWaalsContact O-N 3.08Å; V351-L353 VanDerWaalsContact C-N 3.31Å; V351-L353 PolarHBondContact O-N 3.45Å; L353-D355 PolarHBondContact O-N 2.99Å; L353-F400 HydrophobicContact CD2-CE1 3.63Å; L353-F400 HydrophobicContact CD2-CZ 3.62Å; L353-F400 HydrophobicContact CG-CE1 3.94Å; L353-F400 HydrophobicContact CG-CZ 3.71Å |
| 354 | Q | 87.5 | Confident | 85.7 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -66.1 | 133.2 | 177.6 | -63.8 | 179.8 | 0.1 | 0 | 0 | 109.9 | V351 L352 P356 I359 W403 | V351-Q354 PolarHBondContact O-N 3.48Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.89Å; Q354-P356 VanDerWaalsContact O-CD 3.3Å; Q354-P356 WeakPolarHBondContact O-CD 3.43Å; Q354-I359 HydrophobicContact CB-CD1 4.3Å; Q354-W403 HydrophobicContact CB-CZ2 4.44Å; Q354-W403 WeakPolarHBondContact O-CZ2 3.33Å |
| 355 | D | 84 | Confident | 86.1 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | trans | -69.5 | 123.1 | 171.2 | -169.7 | -25.7 | 0 | 0 | 0 | 108.7 | L353 Q357 D358 | L353-D355 PolarHBondContact O-N 2.99Å; D355-Q357 PolarHBondContact O-N 2.95Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.46Å; D355-Q357 WeakPolarHBondContact OD1-CG 3.41Å; D355-Q357 PolarHBondContact OD1-N 3.29Å; D355-D358 PolarHBondContact O-N 3.24Å | ||
| 356 | P | 83.7 | Confident | 86.6 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -52.6 | -25.3 | 173.4 | -28.8 | 36.9 | 0 | 0 | 0 | 115.1 | Q354 D358 I359 W364 W403 M406 L536 | Q354-P356 VanDerWaalsContact O-CD 3.3Å; Q354-P356 WeakPolarHBondContact O-CD 3.43Å; P356-D358 VanDerWaalsContact C-N 3.32Å; P356-I359 PolarHBondContact O-N 3.39Å; P356-W364 PolarHBondContact O-NE1 3.25Å; P356-W403 HydrophobicContact CG-CH2 4.12Å; P356-W403 HydrophobicContact CG-CZ2 4.15Å; P356-W403 HydrophobicContact CG-CZ3 4.38Å; P356-M406 HydrophobicContact CB-CE 3.86Å; P356-M406 HydrophobicContact CB-SD 3.57Å; P356-M406 VanDerWaalsContact CB-SD 3.57Å; P356-M406 HydrophobicContact CG-SD 3.66Å; P356-L536 HydrophobicContact CB-CD2 4.17Å |
| 357 | Q | 80.7 | Confident | 87 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -67.7 | -30.2 | 176.4 | -64.9 | -176.3 | 52.6 | 0 | 0 | 113.1 | D355 I359 R535 L536 | D355-Q357 PolarHBondContact O-N 2.95Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.46Å; D355-Q357 WeakPolarHBondContact OD1-CG 3.41Å; D355-Q357 PolarHBondContact OD1-N 3.29Å; Q357-I359 PolarHBondContact O-N 2.83Å; Q357-R535 PolarHBondContact NE2-O 2.91Å; Q357-L536 HydrophobicContact CG-CD2 3.62Å |
| 358 | D | 84.1 | Confident | 87.3 | Confident | 134 Ų | 134 | 58 Ų | 58 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -77.6 | -13.2 | 178.9 | -69.5 | -27.8 | 0 | 0 | 0 | 112.2 | D355 P356 | D355-D358 PolarHBondContact O-N 3.24Å; P356-D358 VanDerWaalsContact C-N 3.32Å |
| 359 | I | 84.3 | Confident | 87.4 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -97.1 | 122.2 | -179.2 | -50.9 | -176.9 | 0 | 0 | 0 | 109.5 | Q354 P356 Q357 R361 H363 W364 T367 W403 | Q354-I359 HydrophobicContact CB-CD1 4.3Å; P356-I359 PolarHBondContact O-N 3.39Å; Q357-I359 PolarHBondContact O-N 2.83Å; I359-R361 PolarHBondContact O-N 3.31Å; I359-H363 HydrophobicContact CG2-CB 3.89Å; I359-W364 PolarHBondContact O-NE1 3.29Å; I359-T367 HydrophobicContact CD1-CG2 3.93Å; I359-W403 HydrophobicContact CD1-CH2 3.71Å |
| 360 | P | 83.9 | Confident | 87.7 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | trans | -58.5 | 134.8 | 174 | -20.8 | 30.7 | 0 | 0 | 0 | 110.7 | G362 H363 | P360-G362 PolarHBondContact O-N 3.29Å; P360-H363 PolarHBondContact O-N 3.04Å | ||
| 361 | R | 79.6 | Confident | 88 | Confident | 169 Ų | 169 | 60.7 Ų | 60.7 | 64% | 0.638 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -48.4 | -34.9 | -174.6 | -68.8 | -174.5 | -179.5 | 179.5 | 1.2 | 114.6 | I359 H363 W364 | I359-R361 PolarHBondContact O-N 3.31Å; R361-H363 PolarHBondContact O-N 3.5Å; R361-W364 HydrophobicContact CB-CD2 4.38Å; R361-W364 HydrophobicContact CG-CD2 4.33Å; R361-W364 HydrophobicContact CG-CE3 4.4Å; R361-W364 HydrophobicContact CG-CH2 3.89Å; R361-W364 HydrophobicContact CG-CZ2 3.77Å; R361-W364 HydrophobicContact CG-CZ3 4.19Å; R361-W364 WeakPolarHBondContact O-CB 3.45Å; R361-W364 PolarHBondContact O-N 3.12Å |
| 362 | G | 80.7 | Confident | 88.1 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 78% | 0.784 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | P360 | P360-G362 PolarHBondContact O-N 3.29Š|
| 363 | H | 86.8 | Confident | 88.2 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -98.2 | -4.3 | 180 | -61.6 | 94 | 0 | 0 | 0 | 113.3 | I359 P360 R361 L365 Q366 T367 | I359-H363 HydrophobicContact CG2-CB 3.89Å; P360-H363 PolarHBondContact O-N 3.04Å; R361-H363 PolarHBondContact O-N 3.5Å; H363-L365 VanDerWaalsContact C-N 3.34Å; H363-L365 PolarHBondContact O-N 2.83Å; H363-Q366 PolarHBondContact O-N 3.31Å; H363-T367 PolarHBondContact O-N 2.89Å; H363-T367 PolarHBondContact O-OG1 3.01Å |
| 364 | W | 87.4 | Confident | 88.3 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 179.5 | -71.2 | -3.1 | 0 | 0 | 0 | 111.7 | P356 I359 R361 Q366 T367 L368 M406 | P356-W364 PolarHBondContact O-NE1 3.25Å; I359-W364 PolarHBondContact O-NE1 3.29Å; R361-W364 HydrophobicContact CB-CD2 4.38Å; R361-W364 HydrophobicContact CG-CD2 4.33Å; R361-W364 HydrophobicContact CG-CE3 4.4Å; R361-W364 HydrophobicContact CG-CH2 3.89Å; R361-W364 HydrophobicContact CG-CZ2 3.77Å; R361-W364 HydrophobicContact CG-CZ3 4.19Å; R361-W364 WeakPolarHBondContact O-CB 3.45Å; R361-W364 PolarHBondContact O-N 3.12Å; W364-Q366 VanDerWaalsContact C-N 3.31Å; W364-Q366 PolarHBondContact O-N 2.96Å; W364-T367 PolarHBondContact O-N 2.91Å; W364-L368 WeakPolarHBondContact O-CB 3.38Å; W364-L368 VanDerWaalsContact O-CG 3.3Å; W364-L368 WeakPolarHBondContact O-CG 3.45Å; W364-L368 PolarHBondContact O-N 3.16Å; W364-M406 HydrophobicContact CB-CE 4.48Å; W364-M406 HydrophobicContact CD2-CE 3.38Å; W364-M406 HydrophobicContact CE3-CE 3.53Å; W364-M406 HydrophobicContact CG-CE 3.85Å; W364-M406 HydrophobicContact CH2-CE 4.02Å; W364-M406 HydrophobicContact CZ2-CE 3.9Å; W364-M406 HydrophobicContact CZ3-CE 3.86Å |
| 365 | L | 88.5 | Confident | 88.6 | Confident | 61 Ų | 61 | 61 Ų | 61 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 179 | 177.5 | 61 | 0 | 0 | 0 | 112.6 | H363 K369 P419 L422 | H363-L365 VanDerWaalsContact C-N 3.34Å; H363-L365 PolarHBondContact O-N 2.83Å; L365-K369 HydrophobicContact CD1-CG 4.46Å; L365-K369 HydrophobicContact CG-CD 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.29Å; L365-K369 VanDerWaalsContact O-CG 3.3Å; L365-K369 WeakPolarHBondContact O-CG 3.35Å; L365-K369 PolarHBondContact O-N 3.27Å; L365-P419 HydrophobicContact CD1-CG 4.01Å; L365-L422 HydrophobicContact CD1-CD1 3.74Å; L365-L422 HydrophobicContact CD1-CD2 4.41Å; L365-L422 HydrophobicContact CD1-CG 4.18Å |
| 366 | Q | 91.5 | Very high | 88.9 | Confident | 133 Ų | 133 | 64.3 Ų | 64.3 | 62% | 0.621 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 177.9 | -175.8 | 176.8 | 4.3 | 0 | 0 | 111.1 | H363 W364 K369 H370 | H363-Q366 PolarHBondContact O-N 3.31Å; W364-Q366 VanDerWaalsContact C-N 3.31Å; W364-Q366 PolarHBondContact O-N 2.96Å; Q366-K369 PolarHBondContact O-N 2.78Å; Q366-H370 PolarHBondContact O-N 2.79Å |
| 367 | T | 92.6 | Very high | 89.2 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 177.3 | -52.1 | 0 | 0 | 0 | 0 | 111 | V351 I359 H363 W364 K369 H370 I371 W403 | V351-T367 HydrophobicContact CG1-CG2 4.23Å; I359-T367 HydrophobicContact CD1-CG2 3.93Å; H363-T367 PolarHBondContact O-N 2.89Å; H363-T367 PolarHBondContact O-OG1 3.01Å; W364-T367 PolarHBondContact O-N 2.91Å; T367-K369 PolarHBondContact O-N 3.36Å; T367-H370 WeakPolarHBondContact O-CB 3.36Å; T367-H370 PolarHBondContact O-N 3.21Å; T367-H370 VanDerWaalsContact O-N 3.14Å; T367-I371 HydrophobicContact CG2-CD1 4.23Å; T367-I371 WeakPolarHBondContact O-CG1 3.29Å; T367-I371 PolarHBondContact O-N 3.44Å; T367-W403 HydrophobicContact CG2-CH2 3.9Å; T367-W403 HydrophobicContact CG2-CZ3 4.07Å |
| 368 | L | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 177.1 | -68.9 | 174.6 | 0 | 0 | 0 | 112.4 | W364 H370 I371 S372 W403 V407 Q410 L422 L425 | W364-L368 WeakPolarHBondContact O-CB 3.38Å; W364-L368 VanDerWaalsContact O-CG 3.3Å; W364-L368 WeakPolarHBondContact O-CG 3.45Å; W364-L368 PolarHBondContact O-N 3.16Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.23Å; L368-I371 HydrophobicContact CD2-CD1 4.41Å; L368-I371 PolarHBondContact O-N 2.89Å; L368-S372 PolarHBondContact O-N 2.91Å; L368-W403 HydrophobicContact CD2-CE3 3.65Å; L368-W403 HydrophobicContact CD2-CZ3 4.28Å; L368-V407 HydrophobicContact CD1-CG2 3.98Å; L368-V407 HydrophobicContact CD2-CG2 3.59Å; L368-V407 HydrophobicContact CG-CG2 4.24Å; L368-Q410 HydrophobicContact CD1-CB 4.37Å; L368-Q410 HydrophobicContact CD1-CG 3.91Å; L368-L422 HydrophobicContact CB-CD2 3.47Å; L368-L422 VanDerWaalsContact CB-CD2 3.47Å; L368-L422 HydrophobicContact CD1-CD2 4.14Å; L368-L422 HydrophobicContact CG-CD2 4.43Å; L368-L425 WeakPolarHBondContact O-CD1 3.02Å |
| 369 | K | 94.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 35% | 0.352 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 172.2 | -76.5 | 175.2 | 178.2 | -177.7 | 0 | 111.4 | L365 Q366 T367 S372 E373 A421 | L365-K369 HydrophobicContact CD1-CG 4.46Å; L365-K369 HydrophobicContact CG-CD 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.29Å; L365-K369 VanDerWaalsContact O-CG 3.3Å; L365-K369 WeakPolarHBondContact O-CG 3.35Å; L365-K369 PolarHBondContact O-N 3.27Å; Q366-K369 PolarHBondContact O-N 2.78Å; T367-K369 PolarHBondContact O-N 3.36Å; K369-S372 WeakPolarHBondContact O-CB 3.44Å; K369-S372 PolarHBondContact O-N 3.44Å; K369-E373 WeakPolarHBondContact O-CG 3.3Å; K369-E373 PolarHBondContact O-N 2.91Å; K369-A421 HydrophobicContact CG-CB 4.08Å |
| 370 | H | 94.7 | Very high | 89.5 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 178.1 | -173.7 | 49.3 | 0 | 0 | 0 | 112.5 | Q366 T367 L368 S372 E373 L374 | Q366-H370 PolarHBondContact O-N 2.79Å; T367-H370 WeakPolarHBondContact O-CB 3.36Å; T367-H370 PolarHBondContact O-N 3.21Å; T367-H370 VanDerWaalsContact O-N 3.14Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.23Å; H370-S372 VanDerWaalsContact C-N 3.3Å; H370-S372 PolarHBondContact O-N 3.31Å; H370-E373 IonicContact ND1-OE2 3.97Å; H370-E373 PolarHBondContact O-N 3.41Å; H370-L374 WeakPolarHBondContact O-CG 3.23Å; H370-L374 PolarHBondContact O-N 2.96Å |
| 371 | I | 95 | Very high | 89 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 172.8 | -67.3 | 166.3 | 0 | 0 | 0 | 110.4 | V351 L352 T367 L368 E373 L374 L375 F397 W403 L425 | V351-I371 HydrophobicContact CG1-CD1 4.02Å; V351-I371 HydrophobicContact CG1-CG1 3.44Å; V351-I371 VanDerWaalsContact CG1-CG1 3.44Å; L352-I371 HydrophobicContact CD2-CD1 4.16Å; L352-I371 HydrophobicContact CD2-CG1 4.37Å; L352-I371 HydrophobicContact CD2-CG2 3.93Å; T367-I371 HydrophobicContact CG2-CD1 4.23Å; T367-I371 WeakPolarHBondContact O-CG1 3.29Å; T367-I371 PolarHBondContact O-N 3.44Å; L368-I371 HydrophobicContact CD2-CD1 4.41Å; L368-I371 PolarHBondContact O-N 2.89Å; I371-E373 VanDerWaalsContact C-N 3.35Å; I371-E373 PolarHBondContact O-N 3.18Å; I371-L374 PolarHBondContact O-N 2.97Å; I371-L375 HydrophobicContact CG2-CD1 3.84Å; I371-L375 HydrophobicContact CG2-CG 4.49Å; I371-L375 WeakPolarHBondContact O-CB 3.41Å; I371-L375 PolarHBondContact O-N 2.95Å; I371-F397 HydrophobicContact CG2-CE2 4.26Å; I371-W403 HydrophobicContact CD1-CD2 3.72Å; I371-W403 HydrophobicContact CD1-CE3 3.84Å; I371-W403 HydrophobicContact CD1-CG 4.09Å; I371-W403 HydrophobicContact CD1-CH2 4.49Å; I371-W403 HydrophobicContact CD1-CZ2 4.4Å; I371-W403 HydrophobicContact CD1-CZ3 4.23Å; I371-L425 HydrophobicContact CG2-CD2 4.13Å |
| 372 | S | 94.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.7 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | L368 K369 H370 R376 A421 | L368-S372 PolarHBondContact O-N 2.91Å; K369-S372 WeakPolarHBondContact O-CB 3.44Å; K369-S372 PolarHBondContact O-N 3.44Å; H370-S372 VanDerWaalsContact C-N 3.3Å; H370-S372 PolarHBondContact O-N 3.31Å; S372-R376 WeakPolarHBondContact O-CB 3.27Å; S372-R376 PolarHBondContact O-N 3.39Å; S372-A421 PolarHBondContact OG-O 3.05Å; S372-A421 VanDerWaalsContact OG-O 3.05Å |
| 373 | E | 93.9 | Very high | 86.8 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.7 | -49.6 | 179.2 | -72.5 | 162 | -176.8 | 0 | 0 | 110.7 | K369 H370 I371 L375 R376 E377 | K369-E373 WeakPolarHBondContact O-CG 3.3Å; K369-E373 PolarHBondContact O-N 2.91Å; H370-E373 IonicContact ND1-OE2 3.97Å; H370-E373 PolarHBondContact O-N 3.41Å; I371-E373 VanDerWaalsContact C-N 3.35Å; I371-E373 PolarHBondContact O-N 3.18Å; E373-L375 PolarHBondContact O-N 3.41Å; E373-R376 PolarHBondContact O-N 3.03Å; E373-E377 WeakPolarHBondContact O-CB 3.05Å; E373-E377 PolarHBondContact O-N 2.82Å |
| 374 | L | 93 | Very high | 84.7 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 12% | 0.12 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 179.5 | -68.9 | 176.5 | 0 | 0 | 0 | 112.7 | L348 V351 H370 I371 A378 | L348-L374 HydrophobicContact CB-CB 4.43Å; L348-L374 HydrophobicContact CB-CD1 4.49Å; L348-L374 HydrophobicContact CD1-CB 4Å; L348-L374 HydrophobicContact CD1-CD1 4.49Å; V351-L374 HydrophobicContact CG2-CD1 4.06Å; H370-L374 WeakPolarHBondContact O-CG 3.23Å; H370-L374 PolarHBondContact O-N 2.96Å; I371-L374 PolarHBondContact O-N 2.97Å; L374-A378 WeakPolarHBondContact O-CB 3.36Å; L374-A378 PolarHBondContact O-N 3.39Å; L374-A378 VanDerWaalsContact O-N 3.11Å |
| 375 | L | 92.3 | Very high | 83 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.1 | -80.4 | 170.6 | 0 | 0 | 0 | 111.6 | L348 I371 E373 A378 V379 F397 W424 L425 F428 | L348-L375 HydrophobicContact CD1-CD2 4.16Å; L348-L375 HydrophobicContact CD1-CG 3.89Å; L348-L375 HydrophobicContact CD2-CD2 3.53Å; L348-L375 HydrophobicContact CD2-CG 4.13Å; L348-L375 HydrophobicContact CG-CD2 4.47Å; I371-L375 HydrophobicContact CG2-CD1 3.84Å; I371-L375 HydrophobicContact CG2-CG 4.49Å; I371-L375 WeakPolarHBondContact O-CB 3.41Å; I371-L375 PolarHBondContact O-N 2.95Å; E373-L375 PolarHBondContact O-N 3.41Å; L375-A378 PolarHBondContact O-N 3.25Å; L375-V379 VanDerWaalsContact O-CB 3.31Å; L375-V379 WeakPolarHBondContact O-CB 3.41Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 3.2Å; L375-F397 HydrophobicContact CD1-CB 4.37Å; L375-F397 HydrophobicContact CD1-CD1 4.2Å; L375-F397 HydrophobicContact CD1-CD2 3.96Å; L375-F397 HydrophobicContact CD1-CE1 4.49Å; L375-F397 HydrophobicContact CD1-CE2 4.28Å; L375-F397 HydrophobicContact CD1-CG 3.93Å; L375-F397 HydrophobicContact CD2-CB 4.48Å; L375-W424 HydrophobicContact CB-CH2 3.78Å; L375-W424 HydrophobicContact CB-CZ3 3.62Å; L375-L425 HydrophobicContact CD1-CD2 3.58Å; L375-F428 HydrophobicContact CD1-CD1 4.42Å; L375-F428 HydrophobicContact CD1-CE1 4.42Å; L375-F428 HydrophobicContact CD2-CE1 4.06Å |
| 376 | R | 91.2 | Very high | 81.2 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 45% | 0.453 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 179.6 | -172.4 | 175.4 | 179.2 | -161.3 | -4.5 | 111.8 | S372 E373 A378 V379 E380 W424 | S372-R376 WeakPolarHBondContact O-CB 3.27Å; S372-R376 PolarHBondContact O-N 3.39Å; E373-R376 PolarHBondContact O-N 3.03Å; R376-A378 VanDerWaalsContact C-N 3.33Å; R376-V379 PolarHBondContact O-N 3.02Å; R376-E380 HydrophobicContact CG-CB 4.27Å; R376-E380 HydrophobicContact CG-CG 3.97Å; R376-E380 IonicContact CZ-OE2 2.85Å; R376-E380 IonicContact NE-OE1 3.21Å; R376-E380 IonicContact NE-OE2 2.92Å; R376-E380 PolarHBondContact NE-OE2 3.21Å; R376-E380 IonicContact NH2-OE2 3.33Å; R376-E380 PolarHBondContact NH2-OE2 3.16Å; R376-E380 WeakPolarHBondContact O-CA 3.31Å; R376-E380 VanDerWaalsContact O-CB 3.3Å; R376-E380 WeakPolarHBondContact O-CB 3.39Å; R376-E380 PolarHBondContact O-N 3.22Å; R376-W424 HydrophobicContact CB-CD2 4.45Å; R376-W424 HydrophobicContact CB-CH2 3.89Å; R376-W424 HydrophobicContact CB-CZ2 3.71Å; R376-W424 HydrophobicContact CB-CZ3 4.28Å; R376-W424 HydrophobicContact CG-CZ2 3.88Å |
| 377 | E | 89 | Confident | 79.3 | Confident | 114 Ų | 114 | 66 Ų | 66 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 171.8 | -174.4 | -178.1 | 172.3 | 0 | 0 | 110.4 | E373 V379 D381 | E373-E377 WeakPolarHBondContact O-CB 3.05Å; E373-E377 PolarHBondContact O-N 2.82Å; E377-V379 PolarHBondContact O-N 2.98Å; E377-D381 HydrophobicContact CG-CB 4.48Å; E377-D381 CarbonylContact O-C 3.58Å; E377-D381 WeakPolarHBondContact O-CA 3.39Å; E377-D381 WeakPolarHBondContact O-CB 3.49Å; E377-D381 PolarHBondContact O-N 3.44Å; E377-D381 VanDerWaalsContact O-N 3.12Å |
| 378 | A | 85.9 | Confident | 77.8 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -33.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L374 L375 R376 S393 | L374-A378 WeakPolarHBondContact O-CB 3.36Å; L374-A378 PolarHBondContact O-N 3.39Å; L374-A378 VanDerWaalsContact O-N 3.11Å; L375-A378 PolarHBondContact O-N 3.25Å; R376-A378 VanDerWaalsContact C-N 3.33Å; A378-S393 WeakPolarHBondContact CB-OG 3.5Å |
| 379 | V | 86.9 | Confident | 76.9 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -92.6 | -43.2 | -174 | 173 | 0 | 0 | 0 | 0 | 112.7 | L375 R376 E377 P390 W424 F428 | L375-V379 VanDerWaalsContact O-CB 3.31Å; L375-V379 WeakPolarHBondContact O-CB 3.41Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 3.2Å; R376-V379 PolarHBondContact O-N 3.02Å; E377-V379 PolarHBondContact O-N 2.98Å; V379-P390 HydrophobicContact CG1-CB 4.15Å; V379-P390 HydrophobicContact CG1-CG 4.35Å; V379-W424 HydrophobicContact CB-CZ2 4.48Å; V379-F428 HydrophobicContact CG1-CE2 4.1Å; V379-F428 HydrophobicContact CG2-CD2 4.48Å; V379-F428 HydrophobicContact CG2-CE1 4.39Å; V379-F428 HydrophobicContact CG2-CE2 3.65Å; V379-F428 HydrophobicContact CG2-CZ 3.58Å |
| 380 | E | 83.7 | Confident | 76.4 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 15% | 0.15 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -98.9 | -33.3 | -172.3 | -61.2 | -170.9 | 177.6 | 0 | 0 | 113.1 | R376 Q382 W424 R436 R439 | R376-E380 HydrophobicContact CG-CB 4.27Å; R376-E380 HydrophobicContact CG-CG 3.97Å; R376-E380 IonicContact CZ-OE2 2.85Å; R376-E380 IonicContact NE-OE1 3.21Å; R376-E380 IonicContact NE-OE2 2.92Å; R376-E380 PolarHBondContact NE-OE2 3.21Å; R376-E380 IonicContact NH2-OE2 3.33Å; R376-E380 PolarHBondContact NH2-OE2 3.16Å; R376-E380 WeakPolarHBondContact O-CA 3.31Å; R376-E380 VanDerWaalsContact O-CB 3.3Å; R376-E380 WeakPolarHBondContact O-CB 3.39Å; R376-E380 PolarHBondContact O-N 3.22Å; E380-Q382 PolarHBondContact O-N 3.45Å; E380-W424 PolarHBondContact OE1-NE1 2.76Å; E380-R436 IonicContact OE2-CZ 3.81Å; E380-R436 IonicContact OE2-NE 3.44Å; E380-R436 PolarHBondContact OE2-NE 3.42Å; E380-R436 IonicContact OE2-NH2 3.13Å; E380-R436 PolarHBondContact OE2-NH2 2.92Å; E380-R439 IonicContact OE1-NH1 3.66Å |
| 381 | D | 73 | Confident | 76.1 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | trans | -98.7 | 70.9 | -176.3 | -62.6 | -25.3 | 0 | 0 | 0 | 109.5 | E377 T383 | E377-D381 HydrophobicContact CG-CB 4.48Å; E377-D381 CarbonylContact O-C 3.58Å; E377-D381 WeakPolarHBondContact O-CA 3.39Å; E377-D381 WeakPolarHBondContact O-CB 3.49Å; E377-D381 PolarHBondContact O-N 3.44Å; E377-D381 VanDerWaalsContact O-N 3.12Å; D381-T383 PolarHBondContact O-N 2.97Å | ||
| 382 | Q | 62.4 | Low | 75.8 | Confident | 139 Ų | 139 | 67 Ų | 67 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | trans | -68.7 | 64 | 172.2 | -64.5 | -175.8 | 17 | 0 | 0 | 111 | E380 | E380-Q382 PolarHBondContact O-N 3.45Š| ||
| 383 | T | 51.8 | Low | 75.7 | Confident | 105 Ų | 105 | 67 Ų | 67 | 64% | 0.644 | 38% | 0.379 | S | S | * | . | trans | -67.7 | 134.5 | 163.2 | 49 | 0 | 0 | 0 | 0 | 108.1 | D381 G385 S386 | D381-T383 PolarHBondContact O-N 2.97Å; T383-G385 PolarHBondContact O-N 3.5Å; T383-S386 PolarHBondContact O-N 2.97Å | ||
| 384 | H | 43.4 | Very low | 75.6 | Confident | 202 Ų | 202 | 62.5 Ų | 62.5 | 94% | 0.935 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 94.1 | -175.2 | -61.3 | -41.6 | 0 | 0 | 0 | 111.3 | ||
| 385 | G | 50.3 | Low | 75.7 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 74% | 0.742 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.4 | -8.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | T383 C387 | T383-G385 PolarHBondContact O-N 3.5Å; G385-C387 PolarHBondContact O-N 3.03Å; G385-C387 VanDerWaalsContact O-N 3.13Å |
| 386 | S | 51.6 | Low | 75.7 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | trans | -69.2 | 110.8 | 173.7 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | T383 G388 | T383-S386 PolarHBondContact O-N 2.97Å; S386-G388 PolarHBondContact O-N 3.23Å | ||
| 387 | C | 50.9 | Low | 75.9 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 71% | 0.709 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -68.1 | 98.8 | 169.5 | -87.7 | 0 | 0 | 0 | 0 | 108.3 | Y343 G385 | Y343-C387 CarbonylContact C-O 3.38Å; G385-C387 PolarHBondContact O-N 3.03Å; G385-C387 VanDerWaalsContact O-N 3.13Å |
| 388 | G | 61.1 | Low | 76.1 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 24% | 0.237 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 128.3 | 125.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S386 | S386-G388 PolarHBondContact O-N 3.23Š|
| 389 | G | 75.4 | Confident | 76.5 | Confident | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | trans | -75 | -177.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | F391 E392 S393 | G389-F391 PolarHBondContact O-N 3.31Å; G389-F391 VanDerWaalsContact O-N 3.1Å; G389-E392 PolarHBondContact O-N 2.89Å; G389-S393 PolarHBondContact O-N 3.45Å | ||
| 390 | P | 84.3 | Confident | 76.8 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.3 | -34.6 | 177 | -28.2 | 35.6 | 0 | 0 | 0 | 113.7 | V379 W394 | V379-P390 HydrophobicContact CG1-CB 4.15Å; V379-P390 HydrophobicContact CG1-CG 4.35Å; P390-W394 WeakPolarHBondContact O-CB 3.16Å; P390-W394 PolarHBondContact O-N 3.32Å |
| 391 | F | 88.4 | Confident | 77.1 | Confident | 61 Ų | 61 | 49 Ų | 49 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176 | 180 | -97.3 | 0 | 0 | 0 | 112.7 | R299 L303 G389 S393 W394 F395 | R299-F391 HydrophobicContact CG-CE1 3.99Å; R299-F391 HydrophobicContact CG-CZ 4.11Å; L303-F391 HydrophobicContact CD2-CE2 3.83Å; L303-F391 HydrophobicContact CD2-CZ 3.94Å; L303-F391 HydrophobicContact CG-CZ 4.27Å; G389-F391 PolarHBondContact O-N 3.31Å; G389-F391 VanDerWaalsContact O-N 3.1Å; F391-S393 VanDerWaalsContact C-N 3.32Å; F391-S393 PolarHBondContact O-N 2.89Å; F391-W394 HydrophobicContact CD2-CE3 4.12Å; F391-W394 HydrophobicContact CD2-CZ3 4.38Å; F391-W394 HydrophobicContact CE2-CE3 4.07Å; F391-W394 AromaticContact CE2-CZ3 3.93Å; F391-W394 HydrophobicContact CE2-CZ3 3.93Å; F391-W394 PolarHBondContact O-N 3.01Å; F391-F395 HydrophobicContact CE1-CB 4.27Å; F391-F395 HydrophobicContact CE1-CG 4.48Å; F391-F395 HydrophobicContact CZ-CB 4.47Å; F391-F395 HydrophobicContact CZ-CD2 4.37Å; F391-F395 VanDerWaalsContact O-CB 3.22Å; F391-F395 WeakPolarHBondContact O-CB 3.48Å; F391-F395 PolarHBondContact O-N 3.45Å |
| 392 | E | 89.5 | Confident | 77.8 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | -179.7 | -59.4 | -53.6 | 143.8 | 0 | 0 | 111.7 | R299 G389 L396 | R299-E392 IonicContact CZ-OE1 3.46Å; R299-E392 IonicContact CZ-OE2 2.83Å; R299-E392 VanDerWaalsContact NH1-CD 3.26Å; R299-E392 IonicContact NH1-OE1 3.76Å; R299-E392 PolarHBondContact NH1-OE1 3.25Å; R299-E392 IonicContact NH1-OE2 3.61Å; R299-E392 PolarHBondContact NH1-OE2 3.33Å; R299-E392 VanDerWaalsContact NH1-OE2 3.08Å; R299-E392 IonicContact NH2-OE1 3.44Å; R299-E392 IonicContact NH2-OE2 2.67Å; R299-E392 PolarHBondContact NH2-OE2 3.37Å; G389-E392 PolarHBondContact O-N 2.89Å; E392-L396 WeakPolarHBondContact O-CB 3.27Å; E392-L396 PolarHBondContact O-N 2.73Å |
| 393 | S | 90.8 | Very high | 79.2 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | A378 G389 F391 F397 | A378-S393 WeakPolarHBondContact CB-OG 3.5Å; G389-S393 PolarHBondContact O-N 3.45Å; F391-S393 VanDerWaalsContact C-N 3.32Å; F391-S393 PolarHBondContact O-N 2.89Å; S393-F397 WeakPolarHBondContact O-CB 3.16Å; S393-F397 PolarHBondContact O-N 2.8Å; S393-F397 VanDerWaalsContact O-N 3.08Å |
| 394 | W | 93.1 | Very high | 81.1 | Confident | 22 Ų | 22 | 34.7 Ų | 34.7 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -43.7 | 175.5 | 176.2 | 75.9 | 0 | 0 | 0 | 112 | L302 P390 F391 L396 F397 I398 F428 Y429 P432 | L302-W394 HydrophobicContact CD1-CH2 4.41Å; L302-W394 HydrophobicContact CD2-CH2 3.78Å; L302-W394 HydrophobicContact CD2-CZ3 3.49Å; L302-W394 VanDerWaalsContact CD2-CZ3 3.49Å; L302-W394 HydrophobicContact CG-CH2 4.35Å; L302-W394 HydrophobicContact CG-CZ3 4.38Å; P390-W394 WeakPolarHBondContact O-CB 3.16Å; P390-W394 PolarHBondContact O-N 3.32Å; F391-W394 HydrophobicContact CD2-CE3 4.12Å; F391-W394 HydrophobicContact CD2-CZ3 4.38Å; F391-W394 HydrophobicContact CE2-CE3 4.07Å; F391-W394 AromaticContact CE2-CZ3 3.93Å; F391-W394 HydrophobicContact CE2-CZ3 3.93Å; F391-W394 PolarHBondContact O-N 3.01Å; W394-L396 VanDerWaalsContact C-N 3.34Å; W394-L396 PolarHBondContact O-N 3.47Å; W394-F397 CarbonylContact O-C 3.51Å; W394-F397 WeakPolarHBondContact O-CA 3.08Å; W394-F397 WeakPolarHBondContact O-CB 3.49Å; W394-F397 PolarHBondContact O-N 2.67Å; W394-I398 HydrophobicContact CD2-CG2 4.05Å; W394-I398 HydrophobicContact CG-CG2 4.48Å; W394-I398 HydrophobicContact CH2-CD1 4.43Å; W394-I398 HydrophobicContact CH2-CG2 4.41Å; W394-I398 HydrophobicContact CZ2-CG2 3.76Å; W394-I398 HydrophobicContact CZ3-CD1 4.47Å; W394-I398 PolarHBondContact O-N 3.24Å; W394-F428 HydrophobicContact CB-CE1 4.02Å; W394-F428 HydrophobicContact CB-CE2 4.27Å; W394-F428 HydrophobicContact CB-CZ 3.57Å; W394-F428 HydrophobicContact CG-CZ 4.46Å; W394-Y429 PolarHBondContact NE1-O 3.41Å; W394-P432 HydrophobicContact CB-CB 3.89Å; W394-P432 VanDerWaalsContact CD1-CB 3.46Å; W394-P432 HydrophobicContact CD2-CB 3.65Å; W394-P432 HydrophobicContact CD2-CG 3.88Å; W394-P432 HydrophobicContact CE3-CB 4.38Å; W394-P432 HydrophobicContact CE3-CG 4.47Å; W394-P432 HydrophobicContact CG-CB 3.39Å; W394-P432 HydrophobicContact CG-CG 4.12Å; W394-P432 HydrophobicContact CZ2-CG 4.03Å |
| 395 | F | 93.9 | Very high | 83.2 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 178.9 | -174 | -111.4 | 0 | 0 | 0 | 110.2 | R299 L302 I315 F391 F397 I398 H399 | R299-F395 HydrophobicContact CB-CE1 4.39Å; R299-F395 HydrophobicContact CB-CE2 4.11Å; R299-F395 HydrophobicContact CB-CZ 3.86Å; L302-F395 HydrophobicContact CD2-CD2 3.79Å; L302-F395 HydrophobicContact CD2-CE2 3.98Å; I315-F395 HydrophobicContact CD1-CE2 4.24Å; F391-F395 HydrophobicContact CE1-CB 4.27Å; F391-F395 HydrophobicContact CE1-CG 4.48Å; F391-F395 HydrophobicContact CZ-CB 4.47Å; F391-F395 HydrophobicContact CZ-CD2 4.37Å; F391-F395 VanDerWaalsContact O-CB 3.22Å; F391-F395 WeakPolarHBondContact O-CB 3.48Å; F391-F395 PolarHBondContact O-N 3.45Å; F395-F397 VanDerWaalsContact C-N 3.3Å; F395-F397 PolarHBondContact O-N 3.29Å; F395-I398 HydrophobicContact CD2-CD1 3.94Å; F395-I398 HydrophobicContact CD2-CG1 4.36Å; F395-I398 HydrophobicContact CE2-CD1 4.28Å; F395-I398 WeakPolarHBondContact O-CG1 3.33Å; F395-I398 PolarHBondContact O-N 2.96Å; F395-H399 AromaticContact CD1-NE2 3.93Å; F395-H399 AromaticContact CE1-NE2 3.36Å; F395-H399 WeakPolarHBondContact CE1-NE2 3.45Å; F395-H399 AromaticContact CZ-NE2 3.5Å; F395-H399 PolarHBondContact O-CD2 3.46Å; F395-H399 PolarHBondContact O-N 3.14Å |
| 396 | L | 93.5 | Very high | 85 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 171.4 | -179 | 70.5 | 0 | 0 | 0 | 112.2 | F341 T344 L348 A349 L352 E392 W394 I398 H399 F400 | F341-L396 HydrophobicContact CB-CD1 4.22Å; F341-L396 HydrophobicContact CD1-CD1 3.42Å; F341-L396 VanDerWaalsContact CD1-CD1 3.42Å; F341-L396 HydrophobicContact CD2-CD1 4.27Å; F341-L396 HydrophobicContact CE1-CD1 3.72Å; F341-L396 HydrophobicContact CG-CD1 3.71Å; F341-L396 HydrophobicContact CZ-CD1 4.27Å; T344-L396 HydrophobicContact CG2-CB 3.86Å; T344-L396 HydrophobicContact CG2-CD2 3.74Å; T344-L396 HydrophobicContact CG2-CG 4.27Å; L348-L396 HydrophobicContact CD2-CD2 3.8Å; L348-L396 HydrophobicContact CG-CD2 3.83Å; A349-L396 HydrophobicContact CB-CD2 4.38Å; L352-L396 HydrophobicContact CD1-CD2 3.82Å; L352-L396 HydrophobicContact CD1-CG 3.81Å; E392-L396 WeakPolarHBondContact O-CB 3.27Å; E392-L396 PolarHBondContact O-N 2.73Å; W394-L396 VanDerWaalsContact C-N 3.34Å; W394-L396 PolarHBondContact O-N 3.47Å; L396-I398 VanDerWaalsContact C-N 3.34Å; L396-I398 PolarHBondContact O-N 2.98Å; L396-H399 WeakPolarHBondContact O-CB 3.41Å; L396-H399 PolarHBondContact O-N 3.24Å; L396-F400 HydrophobicContact CD1-CD2 4.44Å; L396-F400 HydrophobicContact CD1-CE2 3.81Å; L396-F400 HydrophobicContact CG-CE2 4.44Å; L396-F400 VanDerWaalsContact O-CD2 3.31Å; L396-F400 WeakPolarHBondContact O-CD2 3.49Å |
| 397 | F | 94.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.3 | -35.9 | -178.1 | -171.8 | -136.6 | 0 | 0 | 0 | 112.7 | L352 I371 L375 S393 W394 F395 H399 F400 G401 W403 A404 L425 F428 Y429 | L352-F397 HydrophobicContact CD2-CD2 3.93Å; L352-F397 HydrophobicContact CD2-CE2 4.22Å; I371-F397 HydrophobicContact CG2-CE2 4.26Å; L375-F397 HydrophobicContact CD1-CB 4.37Å; L375-F397 HydrophobicContact CD1-CD1 4.2Å; L375-F397 HydrophobicContact CD1-CD2 3.96Å; L375-F397 HydrophobicContact CD1-CE1 4.49Å; L375-F397 HydrophobicContact CD1-CE2 4.28Å; L375-F397 HydrophobicContact CD1-CG 3.93Å; L375-F397 HydrophobicContact CD2-CB 4.48Å; S393-F397 WeakPolarHBondContact O-CB 3.16Å; S393-F397 PolarHBondContact O-N 2.8Å; S393-F397 VanDerWaalsContact O-N 3.08Å; W394-F397 CarbonylContact O-C 3.51Å; W394-F397 WeakPolarHBondContact O-CA 3.08Å; W394-F397 WeakPolarHBondContact O-CB 3.49Å; W394-F397 PolarHBondContact O-N 2.67Å; F395-F397 VanDerWaalsContact C-N 3.3Å; F395-F397 PolarHBondContact O-N 3.29Å; F397-H399 VanDerWaalsContact C-N 3.34Å; F397-H399 PolarHBondContact O-N 3.01Å; F397-F400 CarbonylContact O-C 3.57Å; F397-F400 VanDerWaalsContact O-C 3.27Å; F397-F400 PolarHBondContact O-N 3.21Å; F397-F400 VanDerWaalsContact O-N 3.13Å; F397-G401 PolarHBondContact O-N 3.18Å; F397-W403 HydrophobicContact CE2-CB 3.92Å; F397-A404 HydrophobicContact CE1-CB 4.21Å; F397-A404 HydrophobicContact CZ-CB 4.02Å; F397-L425 HydrophobicContact CE1-CD2 4.39Å; F397-L425 HydrophobicContact CZ-CD2 4.12Å; F397-F428 HydrophobicContact CD1-CD1 4.27Å; F397-F428 HydrophobicContact CD1-CE1 4.49Å; F397-Y429 AromaticContact CD1-CD2 3.86Å; F397-Y429 HydrophobicContact CD1-CD2 3.86Å; F397-Y429 AromaticContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CG 4.33Å |
| 398 | I | 94.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68 | -30.7 | 178 | 63.3 | 160.9 | 0 | 0 | 0 | 113 | L302 I315 Q316 W394 F395 L396 F400 G401 Y429 | L302-I398 HydrophobicContact CD1-CD1 4.44Å; L302-I398 HydrophobicContact CD2-CD1 3.6Å; I315-I398 HydrophobicContact CD1-CD1 3.92Å; Q316-I398 WeakPolarHBondContact CG-O 3.22Å; Q316-I398 PolarHBondContact NE2-O 2.9Å; W394-I398 HydrophobicContact CD2-CG2 4.05Å; W394-I398 HydrophobicContact CG-CG2 4.48Å; W394-I398 HydrophobicContact CH2-CD1 4.43Å; W394-I398 HydrophobicContact CH2-CG2 4.41Å; W394-I398 HydrophobicContact CZ2-CG2 3.76Å; W394-I398 HydrophobicContact CZ3-CD1 4.47Å; W394-I398 PolarHBondContact O-N 3.24Å; F395-I398 HydrophobicContact CD2-CD1 3.94Å; F395-I398 HydrophobicContact CD2-CG1 4.36Å; F395-I398 HydrophobicContact CE2-CD1 4.28Å; F395-I398 WeakPolarHBondContact O-CG1 3.33Å; F395-I398 PolarHBondContact O-N 2.96Å; L396-I398 VanDerWaalsContact C-N 3.34Å; L396-I398 PolarHBondContact O-N 2.98Å; I398-F400 PolarHBondContact O-N 3.35Å; I398-G401 PolarHBondContact O-N 3.25Å; I398-G401 VanDerWaalsContact O-N 3.09Å; I398-Y429 HydrophobicContact CG2-CD2 4.48Å; I398-Y429 HydrophobicContact CG2-CE2 4.03Å |
| 399 | H | 93.7 | Very high | 89.9 | Confident | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -53.6 | -36.4 | 171.6 | -80.9 | -84.9 | 0 | 0 | 0 | 111.6 | D295 I315 T319 F395 L396 F397 | D295-H399 IonicContact OD1-CE1 2.79Å; D295-H399 PolarHBondContact OD1-CE1 3.1Å; D295-H399 IonicContact OD1-NE2 3.44Å; D295-H399 PolarHBondContact OD1-NE2 3.19Å; I315-H399 WeakPolarHBondContact CG2-ND1 3.33Å; T319-H399 WeakPolarHBondContact CB-O 3.47Å; T319-H399 HydrophobicContact CG2-CB 3.91Å; T319-H399 PolarHBondContact OG1-ND1 2.84Å; F395-H399 AromaticContact CD1-NE2 3.93Å; F395-H399 AromaticContact CE1-NE2 3.36Å; F395-H399 WeakPolarHBondContact CE1-NE2 3.45Å; F395-H399 AromaticContact CZ-NE2 3.5Å; F395-H399 PolarHBondContact O-CD2 3.46Å; F395-H399 PolarHBondContact O-N 3.14Å; L396-H399 WeakPolarHBondContact O-CB 3.41Å; L396-H399 PolarHBondContact O-N 3.24Å; F397-H399 VanDerWaalsContact C-N 3.34Å; F397-H399 PolarHBondContact O-N 3.01Å |
| 400 | F | 92.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 15.5 Ų | 15.5 | 10% | 0.096 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 38.3 | -179.5 | -51.8 | -82.2 | 0 | 0 | 0 | 111.8 | T319 F341 L352 L353 L396 F397 I398 G402 W403 | T319-F400 HydrophobicContact CG2-CD1 4.23Å; T319-F400 HydrophobicContact CG2-CE1 3.83Å; T319-F400 HydrophobicContact CG2-CZ 4.12Å; F341-F400 HydrophobicContact CE2-CE2 4.45Å; F341-F400 HydrophobicContact CE2-CZ 4.12Å; F341-F400 HydrophobicContact CZ-CE2 4.13Å; F341-F400 AromaticContact CZ-CZ 3.96Å; F341-F400 HydrophobicContact CZ-CZ 3.96Å; L352-F400 HydrophobicContact CB-CB 4.18Å; L352-F400 HydrophobicContact CB-CD1 4.38Å; L352-F400 HydrophobicContact CB-CD2 3.54Å; L352-F400 HydrophobicContact CB-CE2 3.96Å; L352-F400 HydrophobicContact CB-CG 3.78Å; L352-F400 HydrophobicContact CD1-CD2 3.95Å; L352-F400 HydrophobicContact CD2-CB 4.32Å; L352-F400 HydrophobicContact CG-CD2 4.27Å; L352-F400 VanDerWaalsContact O-CD1 3.26Å; L352-F400 WeakPolarHBondContact O-CD1 3.3Å; L353-F400 HydrophobicContact CD2-CE1 3.63Å; L353-F400 HydrophobicContact CD2-CZ 3.62Å; L353-F400 HydrophobicContact CG-CE1 3.94Å; L353-F400 HydrophobicContact CG-CZ 3.71Å; L396-F400 HydrophobicContact CD1-CD2 4.44Å; L396-F400 HydrophobicContact CD1-CE2 3.81Å; L396-F400 HydrophobicContact CG-CE2 4.44Å; L396-F400 VanDerWaalsContact O-CD2 3.31Å; L396-F400 WeakPolarHBondContact O-CD2 3.49Å; F397-F400 CarbonylContact O-C 3.57Å; F397-F400 VanDerWaalsContact O-C 3.27Å; F397-F400 PolarHBondContact O-N 3.21Å; F397-F400 VanDerWaalsContact O-N 3.13Å; I398-F400 PolarHBondContact O-N 3.35Å; F400-G402 PolarHBondContact O-N 3.49Å; F400-W403 VanDerWaalsContact O-CD1 3.27Å; F400-W403 PolarHBondContact O-N 3Å |
| 401 | G | 89.8 | Confident | 90.6 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F397 I398 W403 A404 E405 | F397-G401 PolarHBondContact O-N 3.18Å; I398-G401 PolarHBondContact O-N 3.25Å; I398-G401 VanDerWaalsContact O-N 3.09Å; G401-W403 PolarHBondContact O-N 2.98Å; G401-W403 VanDerWaalsContact O-N 3.14Å; G401-A404 WeakPolarHBondContact O-CB 3.34Å; G401-A404 PolarHBondContact O-N 3.37Å; G401-E405 PolarHBondContact O-N 3.3Å |
| 402 | G | 88.2 | Confident | 90.4 | Very high | 16 Ų | 16 | 11.3 Ų | 11.3 | 17% | 0.165 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.5 | -28.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F400 E405 M406 | F400-G402 PolarHBondContact O-N 3.49Å; G402-E405 PolarHBondContact O-N 2.99Å; G402-M406 WeakPolarHBondContact O-CG 3.28Å; G402-M406 PolarHBondContact O-N 3.21Å |
| 403 | W | 92.2 | Very high | 89.9 | Confident | 7 Ų | 7 | 15.6 Ų | 15.6 | 3% | 0.027 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 172.3 | -70.1 | 113.1 | 0 | 0 | 0 | 112.4 | L352 Q354 P356 I359 T367 L368 I371 F397 F400 G401 E405 M406 V407 | L352-W403 HydrophobicContact CD2-CG 4.27Å; L352-W403 PolarHBondContact O-NE1 2.93Å; Q354-W403 HydrophobicContact CB-CZ2 4.44Å; Q354-W403 WeakPolarHBondContact O-CZ2 3.33Å; P356-W403 HydrophobicContact CG-CH2 4.12Å; P356-W403 HydrophobicContact CG-CZ2 4.15Å; P356-W403 HydrophobicContact CG-CZ3 4.38Å; I359-W403 HydrophobicContact CD1-CH2 3.71Å; T367-W403 HydrophobicContact CG2-CH2 3.9Å; T367-W403 HydrophobicContact CG2-CZ3 4.07Å; L368-W403 HydrophobicContact CD2-CE3 3.65Å; L368-W403 HydrophobicContact CD2-CZ3 4.28Å; I371-W403 HydrophobicContact CD1-CD2 3.72Å; I371-W403 HydrophobicContact CD1-CE3 3.84Å; I371-W403 HydrophobicContact CD1-CG 4.09Å; I371-W403 HydrophobicContact CD1-CH2 4.49Å; I371-W403 HydrophobicContact CD1-CZ2 4.4Å; I371-W403 HydrophobicContact CD1-CZ3 4.23Å; F397-W403 HydrophobicContact CE2-CB 3.92Å; F400-W403 VanDerWaalsContact O-CD1 3.27Å; F400-W403 PolarHBondContact O-N 3Å; G401-W403 PolarHBondContact O-N 2.98Å; G401-W403 VanDerWaalsContact O-N 3.14Å; W403-E405 VanDerWaalsContact C-N 3.32Å; W403-E405 PolarHBondContact O-N 3.17Å; W403-M406 HydrophobicContact CE3-SD 3.98Å; W403-M406 HydrophobicContact CZ3-CE 4.34Å; W403-M406 HydrophobicContact CZ3-SD 4.18Å; W403-M406 WeakPolarHBondContact O-CB 3.29Å; W403-M406 PolarHBondContact O-N 3.36Å; W403-V407 VanDerWaalsContact O-CG2 3.31Å; W403-V407 WeakPolarHBondContact O-CG2 3.47Å; W403-V407 PolarHBondContact O-N 2.95Å |
| 404 | A | 91.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F397 G401 V407 A408 L426 Y429 | F397-A404 HydrophobicContact CE1-CB 4.21Å; F397-A404 HydrophobicContact CZ-CB 4.02Å; G401-A404 WeakPolarHBondContact O-CB 3.34Å; G401-A404 PolarHBondContact O-N 3.37Å; A404-V407 WeakPolarHBondContact O-CB 3.36Å; A404-V407 PolarHBondContact O-N 3.21Å; A404-A408 PolarHBondContact O-N 2.82Å; A404-L426 WeakPolarHBondContact O-CD2 3.36Å; A404-Y429 HydrophobicContact CB-CD1 4.21Å; A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE1 4.42Å; A404-Y429 HydrophobicContact CB-CE2 3.84Å; A404-Y429 HydrophobicContact CB-CG 3.79Å |
| 405 | E | 87.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 20 Ų | 20 | 15% | 0.145 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 174.3 | -61.9 | 175.7 | -119.6 | 0 | 0 | 111.9 | G401 G402 W403 V407 A408 E409 Q528 R532 | G401-E405 PolarHBondContact O-N 3.3Å; G402-E405 PolarHBondContact O-N 2.99Å; W403-E405 VanDerWaalsContact C-N 3.32Å; W403-E405 PolarHBondContact O-N 3.17Å; E405-V407 VanDerWaalsContact C-N 3.26Å; E405-V407 PolarHBondContact O-N 3.06Å; E405-A408 WeakPolarHBondContact O-CB 3.37Å; E405-A408 PolarHBondContact O-N 3.37Å; E405-A408 VanDerWaalsContact O-N 3.16Å; E405-E409 PolarHBondContact O-N 3.38Å; E405-E409 VanDerWaalsContact O-N 3.09Å; E405-Q528 WeakPolarHBondContact OE1-CG 3.5Å; E405-Q528 PolarHBondContact OE1-NE2 3.4Å; E405-R532 WeakPolarHBondContact OE2-CD 3.49Å; E405-R532 IonicContact OE2-CZ 2.8Å; E405-R532 VanDerWaalsContact OE2-CZ 3.27Å; E405-R532 IonicContact OE2-NE 3.24Å; E405-R532 PolarHBondContact OE2-NE 3.4Å; E405-R532 IonicContact OE2-NH2 3.45Å; E405-R532 PolarHBondContact OE2-NH2 2.66Å |
| 406 | M | 88.2 | Confident | 87.1 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 174.4 | -72.1 | 177.2 | 73.6 | 0 | 0 | 112.1 | P356 W364 G402 W403 E409 Q410 | P356-M406 HydrophobicContact CB-CE 3.86Å; P356-M406 HydrophobicContact CB-SD 3.57Å; P356-M406 VanDerWaalsContact CB-SD 3.57Å; P356-M406 HydrophobicContact CG-SD 3.66Å; W364-M406 HydrophobicContact CB-CE 4.48Å; W364-M406 HydrophobicContact CD2-CE 3.38Å; W364-M406 HydrophobicContact CE3-CE 3.53Å; W364-M406 HydrophobicContact CG-CE 3.85Å; W364-M406 HydrophobicContact CH2-CE 4.02Å; W364-M406 HydrophobicContact CZ2-CE 3.9Å; W364-M406 HydrophobicContact CZ3-CE 3.86Å; G402-M406 WeakPolarHBondContact O-CG 3.28Å; G402-M406 PolarHBondContact O-N 3.21Å; W403-M406 HydrophobicContact CE3-SD 3.98Å; W403-M406 HydrophobicContact CZ3-CE 4.34Å; W403-M406 HydrophobicContact CZ3-SD 4.18Å; W403-M406 WeakPolarHBondContact O-CB 3.29Å; W403-M406 PolarHBondContact O-N 3.36Å; M406-E409 PolarHBondContact O-N 3.48Å; M406-Q410 WeakPolarHBondContact O-CB 3.25Å; M406-Q410 VanDerWaalsContact O-CG 3.23Å; M406-Q410 WeakPolarHBondContact O-CG 3.25Å; M406-Q410 PolarHBondContact O-N 3.19Å |
| 407 | V | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L368 W403 A404 E405 E409 Q410 L411 L422 L425 L426 | L368-V407 HydrophobicContact CD1-CG2 3.98Å; L368-V407 HydrophobicContact CD2-CG2 3.59Å; L368-V407 HydrophobicContact CG-CG2 4.24Å; W403-V407 VanDerWaalsContact O-CG2 3.31Å; W403-V407 WeakPolarHBondContact O-CG2 3.47Å; W403-V407 PolarHBondContact O-N 2.95Å; A404-V407 WeakPolarHBondContact O-CB 3.36Å; A404-V407 PolarHBondContact O-N 3.21Å; E405-V407 VanDerWaalsContact C-N 3.26Å; E405-V407 PolarHBondContact O-N 3.06Å; V407-E409 VanDerWaalsContact C-N 3.33Å; V407-E409 PolarHBondContact O-N 3.32Å; V407-Q410 PolarHBondContact O-N 3.43Å; V407-L411 HydrophobicContact CG1-CD1 4.09Å; V407-L411 HydrophobicContact CG1-CG 4.45Å; V407-L411 WeakPolarHBondContact O-CG 3.48Å; V407-L411 PolarHBondContact O-N 2.84Å; V407-L422 HydrophobicContact CG1-CB 3.68Å; V407-L422 HydrophobicContact CG1-CD1 4.34Å; V407-L422 HydrophobicContact CG1-CD2 4.14Å; V407-L422 HydrophobicContact CG1-CG 4.24Å; V407-L422 WeakPolarHBondContact CG1-O 3.27Å; V407-L422 HydrophobicContact CG2-CD2 4.33Å; V407-L425 HydrophobicContact CG2-CB 4.3Å; V407-L425 HydrophobicContact CG2-CD1 3.78Å; V407-L426 HydrophobicContact CB-CD2 4.04Å; V407-L426 HydrophobicContact CB-CG 4.24Å; V407-L426 HydrophobicContact CG1-CD1 4.02Å; V407-L426 HydrophobicContact CG1-CD2 4.03Å; V407-L426 HydrophobicContact CG1-CG 3.65Å |
| 408 | A | 89.2 | Confident | 86 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A404 E405 L411 L412 L426 L490 | A404-A408 PolarHBondContact O-N 2.82Å; E405-A408 WeakPolarHBondContact O-CB 3.37Å; E405-A408 PolarHBondContact O-N 3.37Å; E405-A408 VanDerWaalsContact O-N 3.16Å; A408-L411 PolarHBondContact O-N 2.85Å; A408-L412 PolarHBondContact O-N 3.37Å; A408-L426 HydrophobicContact CB-CD1 4.34Å; A408-L426 HydrophobicContact CB-CD2 4.41Å; A408-L490 HydrophobicContact CB-CD2 4.06Å |
| 409 | E | 84.7 | Confident | 85.7 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 175.9 | -67.6 | -178.2 | 161.1 | 0 | 0 | 112.4 | E405 M406 V407 L411 L412 M413 W497 R532 W533 | E405-E409 PolarHBondContact O-N 3.38Å; E405-E409 VanDerWaalsContact O-N 3.09Å; M406-E409 PolarHBondContact O-N 3.48Å; V407-E409 VanDerWaalsContact C-N 3.33Å; V407-E409 PolarHBondContact O-N 3.32Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.9Å; E409-L412 PolarHBondContact O-N 3.04Å; E409-M413 WeakPolarHBondContact O-CB 3.5Å; E409-M413 VanDerWaalsContact O-CG 3.28Å; E409-M413 WeakPolarHBondContact O-CG 3.18Å; E409-M413 PolarHBondContact O-N 3.19Å; E409-W497 HydrophobicContact CG-CZ2 4.44Å; E409-W497 VanDerWaalsContact OE1-CZ2 3.24Å; E409-W497 WeakPolarHBondContact OE1-CZ2 3.3Å; E409-W497 PolarHBondContact OE1-NE1 3.5Å; E409-R532 VanDerWaalsContact CD-NH2 3.26Å; E409-R532 IonicContact OE1-CZ 3.24Å; E409-R532 VanDerWaalsContact OE1-CZ 3.26Å; E409-R532 IonicContact OE1-NH1 2.79Å; E409-R532 PolarHBondContact OE1-NH1 3.14Å; E409-R532 IonicContact OE1-NH2 2.84Å; E409-R532 PolarHBondContact OE1-NH2 3.48Å; E409-R532 IonicContact OE2-CZ 3.29Å; E409-R532 IonicContact OE2-NH1 3.56Å; E409-R532 PolarHBondContact OE2-NH1 2.85Å; E409-R532 IonicContact OE2-NH2 3.44Å; E409-W533 PolarHBondContact OE1-NE1 2.78Å |
| 410 | Q | 86.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 179.5 | -73.2 | -60.4 | -57.1 | 0 | 0 | 112.2 | L368 M406 V407 M413 S414 L422 | L368-Q410 HydrophobicContact CD1-CB 4.37Å; L368-Q410 HydrophobicContact CD1-CG 3.91Å; M406-Q410 WeakPolarHBondContact O-CB 3.25Å; M406-Q410 VanDerWaalsContact O-CG 3.23Å; M406-Q410 WeakPolarHBondContact O-CG 3.25Å; M406-Q410 PolarHBondContact O-N 3.19Å; V407-Q410 PolarHBondContact O-N 3.43Å; Q410-M413 PolarHBondContact O-N 3.46Å; Q410-S414 WeakPolarHBondContact O-CB 3.35Å; Q410-S414 PolarHBondContact O-N 3.14Å; Q410-L422 HydrophobicContact CB-CD1 4.18Å |
| 411 | L | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -37.8 | 176.9 | -76 | 173.5 | 0 | 0 | 0 | 112.9 | V407 A408 E409 P418 L422 L423 L426 L450 | V407-L411 HydrophobicContact CG1-CD1 4.09Å; V407-L411 HydrophobicContact CG1-CG 4.45Å; V407-L411 WeakPolarHBondContact O-CG 3.48Å; V407-L411 PolarHBondContact O-N 2.84Å; A408-L411 PolarHBondContact O-N 2.85Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.9Å; L411-P418 HydrophobicContact CD2-CB 3.53Å; L411-L422 HydrophobicContact CD1-CB 4.2Å; L411-L422 HydrophobicContact CD2-CB 3.74Å; L411-L422 HydrophobicContact CD2-CD1 4.03Å; L411-L422 HydrophobicContact CD2-CG 4.49Å; L411-L422 HydrophobicContact CG-CB 4.02Å; L411-L422 HydrophobicContact CG-CD1 4.12Å; L411-L423 HydrophobicContact CD1-CD2 4.21Å; L411-L426 HydrophobicContact CD1-CD1 3.44Å; L411-L426 VanDerWaalsContact CD1-CD1 3.44Å; L411-L426 HydrophobicContact CD1-CG 4.43Å; L411-L450 HydrophobicContact CB-CD1 4.33Å; L411-L450 HydrophobicContact CB-CD2 4.33Å; L411-L450 HydrophobicContact CD1-CD1 3.97Å |
| 412 | L | 84 | Confident | 85.9 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -79.1 | -26.5 | 179.1 | -71.1 | 167 | 0 | 0 | 0 | 113.1 | A408 E409 L450 L453 L454 N493 F494 | A408-L412 PolarHBondContact O-N 3.37Å; E409-L412 PolarHBondContact O-N 3.04Å; L412-L450 HydrophobicContact CD2-CD2 3.9Å; L412-L450 HydrophobicContact CG-CD2 4.35Å; L412-L453 HydrophobicContact CD2-CB 4.4Å; L412-L453 HydrophobicContact CD2-CD1 4.24Å; L412-L454 WeakPolarHBondContact O-CD2 3.31Å; L412-N493 HydrophobicContact CD1-CB 3.32Å; L412-F494 HydrophobicContact CD1-CB 4.38Å; L412-F494 HydrophobicContact CD2-CB 4.21Å; L412-F494 HydrophobicContact CD2-CD2 4.37Å |
| 413 | M | 78.7 | Confident | 86.2 | Confident | 124 Ų | 124 | 34.7 Ų | 34.7 | 61% | 0.611 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -86.5 | -14.8 | 177.6 | -64.4 | -61.2 | -69.7 | 0 | 0 | 113.3 | E409 Q410 A415 | E409-M413 WeakPolarHBondContact O-CB 3.5Å; E409-M413 VanDerWaalsContact O-CG 3.28Å; E409-M413 WeakPolarHBondContact O-CG 3.18Å; E409-M413 PolarHBondContact O-N 3.19Å; Q410-M413 PolarHBondContact O-N 3.46Å; M413-A415 PolarHBondContact O-N 3.35Å |
| 414 | S | 76.2 | Confident | 86.4 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 22% | 0.217 | 21% | 0.209 | C | C | . | . | trans | -70.6 | 122.7 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | Q410 A416 | Q410-S414 WeakPolarHBondContact O-CB 3.35Å; Q410-S414 PolarHBondContact O-N 3.14Å; S414-A416 PolarHBondContact O-N 3.39Å; S414-A416 PolarHBondContact OG-N 2.94Å; S414-A416 PolarHBondContact OG-O 3.46Å; S414-A416 VanDerWaalsContact OG-O 3.11Å | ||
| 415 | A | 66.9 | Low | 86.5 | Confident | 88 Ų | 88 | 34.8 Ų | 34.8 | 73% | 0.727 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -73.8 | -16.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M413 R458 | M413-A415 PolarHBondContact O-N 3.35Å; A415-R458 PolarHBondContact O-NH2 2.92Å |
| 416 | A | 75.9 | Confident | 86.9 | Confident | 65 Ų | 65 | 33.3 Ų | 33.3 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -99.1 | 170.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S414 | S414-A416 PolarHBondContact O-N 3.39Å; S414-A416 PolarHBondContact OG-N 2.94Å; S414-A416 PolarHBondContact OG-O 3.46Å; S414-A416 VanDerWaalsContact OG-O 3.11Å |
| 417 | E | 81.4 | Confident | 87.2 | Confident | 136 Ų | 136 | 33.2 Ų | 33.2 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | P | Polyproline II helix | trans | -51.4 | 134.1 | 175.1 | -169 | 178.7 | 179 | 0 | 0 | 111.2 | P419 K447 | E417-P419 WeakPolarHBondContact O-CD 3.45Å; E417-K447 WeakPolarHBondContact OE1-CE 3.37Å; E417-K447 IonicContact OE1-NZ 2.64Å; E417-K447 PolarHBondContact OE1-NZ 3.36Å |
| 418 | P | 83.8 | Confident | 87.3 | Confident | 12 Ų | 12 | 33.2 Ų | 33.2 | 8% | 0.078 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 123.4 | -177.5 | 23.8 | -35.4 | 0 | 0 | 0 | 110.5 | L411 T420 L423 K447 L450 | L411-P418 HydrophobicContact CD2-CB 3.53Å; P418-T420 PolarHBondContact O-N 3.45Å; P418-L423 HydrophobicContact CB-CD1 4.24Å; P418-L423 HydrophobicContact CB-CD2 4.29Å; P418-L423 HydrophobicContact CB-CG 4.3Å; P418-L423 HydrophobicContact CG-CD1 4.27Å; P418-K447 HydrophobicContact CG-CG 4.02Å; P418-L450 HydrophobicContact CB-CD1 4.44Å |
| 419 | P | 89.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -62 | 131.9 | -178.5 | -22.1 | 32.3 | 0 | 0 | 0 | 111.6 | L365 E417 A421 L422 L423 | L365-P419 HydrophobicContact CD1-CG 4.01Å; E417-P419 WeakPolarHBondContact O-CD 3.45Å; P419-A421 PolarHBondContact O-N 3.13Å; P419-A421 VanDerWaalsContact O-N 3.13Å; P419-L422 HydrophobicContact CB-CG 4.2Å; P419-L422 HydrophobicContact CG-CD1 4.34Å; P419-L422 HydrophobicContact CG-CG 4.36Å; P419-L422 WeakPolarHBondContact O-CB 3.44Å; P419-L422 PolarHBondContact O-N 3.12Å; P419-L423 PolarHBondContact O-N 2.93Å |
| 420 | T | 92.4 | Very high | 87.8 | Confident | 93 Ų | 93 | 35.9 Ų | 35.9 | 57% | 0.571 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -53.3 | -37.1 | -179.3 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | P418 L422 L423 W424 M443 | P418-T420 PolarHBondContact O-N 3.45Å; T420-L422 PolarHBondContact O-N 2.66Å; T420-L423 PolarHBondContact O-N 2.79Å; T420-W424 WeakPolarHBondContact O-CB 3.22Å; T420-W424 PolarHBondContact O-N 3.11Å; T420-M443 HydrophobicContact CG2-CE 3.58Å |
| 421 | A | 93.6 | Very high | 87.9 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K369 S372 P419 W424 L425 | K369-A421 HydrophobicContact CG-CB 4.08Å; S372-A421 PolarHBondContact OG-O 3.05Å; S372-A421 VanDerWaalsContact OG-O 3.05Å; P419-A421 PolarHBondContact O-N 3.13Å; P419-A421 VanDerWaalsContact O-N 3.13Å; A421-W424 PolarHBondContact O-N 3.2Å; A421-L425 PolarHBondContact O-N 3.39Å |
| 422 | L | 94.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 179.2 | -66.5 | -158.3 | 0 | 0 | 0 | 111.7 | L365 L368 V407 Q410 L411 P419 T420 W424 L425 L426 | L365-L422 HydrophobicContact CD1-CD1 3.74Å; L365-L422 HydrophobicContact CD1-CD2 4.41Å; L365-L422 HydrophobicContact CD1-CG 4.18Å; L368-L422 HydrophobicContact CB-CD2 3.47Å; L368-L422 VanDerWaalsContact CB-CD2 3.47Å; L368-L422 HydrophobicContact CD1-CD2 4.14Å; L368-L422 HydrophobicContact CG-CD2 4.43Å; V407-L422 HydrophobicContact CG1-CB 3.68Å; V407-L422 HydrophobicContact CG1-CD1 4.34Å; V407-L422 HydrophobicContact CG1-CD2 4.14Å; V407-L422 HydrophobicContact CG1-CG 4.24Å; V407-L422 WeakPolarHBondContact CG1-O 3.27Å; V407-L422 HydrophobicContact CG2-CD2 4.33Å; Q410-L422 HydrophobicContact CB-CD1 4.18Å; L411-L422 HydrophobicContact CD1-CB 4.2Å; L411-L422 HydrophobicContact CD2-CB 3.74Å; L411-L422 HydrophobicContact CD2-CD1 4.03Å; L411-L422 HydrophobicContact CD2-CG 4.49Å; L411-L422 HydrophobicContact CG-CB 4.02Å; L411-L422 HydrophobicContact CG-CD1 4.12Å; P419-L422 HydrophobicContact CB-CG 4.2Å; P419-L422 HydrophobicContact CG-CD1 4.34Å; P419-L422 HydrophobicContact CG-CG 4.36Å; P419-L422 WeakPolarHBondContact O-CB 3.44Å; P419-L422 PolarHBondContact O-N 3.12Å; T420-L422 PolarHBondContact O-N 2.66Å; L422-W424 VanDerWaalsContact C-N 3.28Å; L422-W424 PolarHBondContact O-N 3.25Å; L422-L425 HydrophobicContact CD2-CD1 4.35Å; L422-L425 PolarHBondContact O-N 3.47Å; L422-L426 PolarHBondContact O-N 3.02Å; L422-L426 VanDerWaalsContact O-N 3.17Å |
| 423 | L | 94 | Very high | 87.9 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 173.5 | -66.1 | 172.4 | 0 | 0 | 0 | 111.5 | L411 P418 P419 T420 L426 A427 M443 V446 K447 L450 | L411-L423 HydrophobicContact CD1-CD2 4.21Å; P418-L423 HydrophobicContact CB-CD1 4.24Å; P418-L423 HydrophobicContact CB-CD2 4.29Å; P418-L423 HydrophobicContact CB-CG 4.3Å; P418-L423 HydrophobicContact CG-CD1 4.27Å; P419-L423 PolarHBondContact O-N 2.93Å; T420-L423 PolarHBondContact O-N 2.79Å; L423-L426 PolarHBondContact O-N 3.32Å; L423-A427 WeakPolarHBondContact O-CB 3.17Å; L423-A427 PolarHBondContact O-N 2.89Å; L423-M443 HydrophobicContact CB-CB 4.5Å; L423-M443 HydrophobicContact CB-CE 4.16Å; L423-M443 HydrophobicContact CB-CG 4.25Å; L423-V446 HydrophobicContact CD2-CG1 3.91Å; L423-K447 HydrophobicContact CD1-CB 3.91Å; L423-K447 HydrophobicContact CD1-CD 4.17Å; L423-K447 HydrophobicContact CD1-CG 4.12Å; L423-L450 HydrophobicContact CD2-CD1 3.52Å |
| 424 | W | 95.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.1 | -175.1 | 97.3 | 0 | 0 | 0 | 111.5 | L375 R376 V379 E380 T420 A421 L422 L426 A427 F428 M443 | L375-W424 HydrophobicContact CB-CH2 3.78Å; L375-W424 HydrophobicContact CB-CZ3 3.62Å; R376-W424 HydrophobicContact CB-CD2 4.45Å; R376-W424 HydrophobicContact CB-CH2 3.89Å; R376-W424 HydrophobicContact CB-CZ2 3.71Å; R376-W424 HydrophobicContact CB-CZ3 4.28Å; R376-W424 HydrophobicContact CG-CZ2 3.88Å; V379-W424 HydrophobicContact CB-CZ2 4.48Å; E380-W424 PolarHBondContact OE1-NE1 2.76Å; T420-W424 WeakPolarHBondContact O-CB 3.22Å; T420-W424 PolarHBondContact O-N 3.11Å; A421-W424 PolarHBondContact O-N 3.2Å; L422-W424 VanDerWaalsContact C-N 3.28Å; L422-W424 PolarHBondContact O-N 3.25Å; W424-L426 PolarHBondContact O-N 3.32Å; W424-A427 PolarHBondContact O-N 2.97Å; W424-F428 HydrophobicContact CE3-CB 4.34Å; W424-F428 HydrophobicContact CH2-CB 4.2Å; W424-F428 HydrophobicContact CH2-CD1 4.25Å; W424-F428 HydrophobicContact CH2-CD2 4.4Å; W424-F428 HydrophobicContact CH2-CG 4.02Å; W424-F428 HydrophobicContact CZ3-CB 4.11Å; W424-F428 HydrophobicContact CZ3-CD1 4.26Å; W424-F428 HydrophobicContact CZ3-CG 4.23Å; W424-F428 WeakPolarHBondContact O-CB 3.29Å; W424-F428 PolarHBondContact O-N 3.31Å; W424-M443 HydrophobicContact CB-CE 3.97Å; W424-M443 HydrophobicContact CB-SD 4.04Å; W424-M443 HydrophobicContact CG-SD 4.4Å |
| 425 | L | 95.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 177.1 | -79.8 | 174.8 | 0 | 0 | 0 | 112.7 | L368 I371 L375 F397 V407 A421 L422 F428 Y429 | L368-L425 WeakPolarHBondContact O-CD1 3.02Å; I371-L425 HydrophobicContact CG2-CD2 4.13Å; L375-L425 HydrophobicContact CD1-CD2 3.58Å; F397-L425 HydrophobicContact CE1-CD2 4.39Å; F397-L425 HydrophobicContact CZ-CD2 4.12Å; V407-L425 HydrophobicContact CG2-CB 4.3Å; V407-L425 HydrophobicContact CG2-CD1 3.78Å; A421-L425 PolarHBondContact O-N 3.39Å; L422-L425 HydrophobicContact CD2-CD1 4.35Å; L422-L425 PolarHBondContact O-N 3.47Å; L425-F428 PolarHBondContact O-N 3.47Å; L425-Y429 WeakPolarHBondContact O-CB 3.34Å; L425-Y429 PolarHBondContact O-N 3.48Å |
| 426 | L | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 177.2 | -69.2 | -178.4 | 0 | 0 | 0 | 111 | A404 V407 A408 L411 L422 L423 W424 F428 Y429 Y430 L486 L490 | A404-L426 WeakPolarHBondContact O-CD2 3.36Å; V407-L426 HydrophobicContact CB-CD2 4.04Å; V407-L426 HydrophobicContact CB-CG 4.24Å; V407-L426 HydrophobicContact CG1-CD1 4.02Å; V407-L426 HydrophobicContact CG1-CD2 4.03Å; V407-L426 HydrophobicContact CG1-CG 3.65Å; A408-L426 HydrophobicContact CB-CD1 4.34Å; A408-L426 HydrophobicContact CB-CD2 4.41Å; L411-L426 HydrophobicContact CD1-CD1 3.44Å; L411-L426 VanDerWaalsContact CD1-CD1 3.44Å; L411-L426 HydrophobicContact CD1-CG 4.43Å; L422-L426 PolarHBondContact O-N 3.02Å; L422-L426 VanDerWaalsContact O-N 3.17Å; L423-L426 PolarHBondContact O-N 3.32Å; W424-L426 PolarHBondContact O-N 3.32Å; L426-F428 PolarHBondContact O-N 3.32Å; L426-Y429 PolarHBondContact O-N 2.79Å; L426-Y429 VanDerWaalsContact O-N 3.13Å; L426-Y430 HydrophobicContact CD2-CE2 4.35Å; L426-Y430 VanDerWaalsContact O-CD2 3.27Å; L426-Y430 WeakPolarHBondContact O-CD2 3.49Å; L426-Y430 PolarHBondContact O-N 3.33Å; L426-Y430 VanDerWaalsContact O-N 3.13Å; L426-L486 HydrophobicContact CB-CD1 3.83Å; L426-L486 HydrophobicContact CB-CD2 3.91Å; L426-L486 HydrophobicContact CD1-CD1 3.92Å; L426-L486 HydrophobicContact CD2-CD1 4.45Å; L426-L486 HydrophobicContact CG-CD1 4.28Å; L426-L490 HydrophobicContact CD1-CD2 4.23Å |
| 427 | A | 94.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -36.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L423 W424 G431 R439 T442 M443 | L423-A427 WeakPolarHBondContact O-CB 3.17Å; L423-A427 PolarHBondContact O-N 2.89Å; W424-A427 PolarHBondContact O-N 2.97Å; A427-G431 WeakPolarHBondContact O-CA 3.29Å; A427-G431 PolarHBondContact O-N 3.47Å; A427-R439 HydrophobicContact CB-CG 3.63Å; A427-T442 HydrophobicContact CB-CG2 4.01Å; A427-M443 HydrophobicContact CB-CG 3.78Å |
| 428 | F | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.3 | -39.6 | 174.6 | 179.2 | -114.9 | 0 | 0 | 0 | 113.4 | L375 V379 W394 F397 W424 L425 L426 G431 P432 | L375-F428 HydrophobicContact CD1-CD1 4.42Å; L375-F428 HydrophobicContact CD1-CE1 4.42Å; L375-F428 HydrophobicContact CD2-CE1 4.06Å; V379-F428 HydrophobicContact CG1-CE2 4.1Å; V379-F428 HydrophobicContact CG2-CD2 4.48Å; V379-F428 HydrophobicContact CG2-CE1 4.39Å; V379-F428 HydrophobicContact CG2-CE2 3.65Å; V379-F428 HydrophobicContact CG2-CZ 3.58Å; W394-F428 HydrophobicContact CB-CE1 4.02Å; W394-F428 HydrophobicContact CB-CE2 4.27Å; W394-F428 HydrophobicContact CB-CZ 3.57Å; W394-F428 HydrophobicContact CG-CZ 4.46Å; F397-F428 HydrophobicContact CD1-CD1 4.27Å; F397-F428 HydrophobicContact CD1-CE1 4.49Å; W424-F428 HydrophobicContact CE3-CB 4.34Å; W424-F428 HydrophobicContact CH2-CB 4.2Å; W424-F428 HydrophobicContact CH2-CD1 4.25Å; W424-F428 HydrophobicContact CH2-CD2 4.4Å; W424-F428 HydrophobicContact CH2-CG 4.02Å; W424-F428 HydrophobicContact CZ3-CB 4.11Å; W424-F428 HydrophobicContact CZ3-CD1 4.26Å; W424-F428 HydrophobicContact CZ3-CG 4.23Å; W424-F428 WeakPolarHBondContact O-CB 3.29Å; W424-F428 PolarHBondContact O-N 3.31Å; L425-F428 PolarHBondContact O-N 3.47Å; L426-F428 PolarHBondContact O-N 3.32Å; F428-G431 CarbonylContact O-C 3.51Å; F428-P432 WeakPolarHBondContact O-CA 3.21Å |
| 429 | Y | 93.7 | Very high | 91.2 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 179.2 | -175.7 | -97.8 | 0 | 0 | 0 | 112.4 | Q316 W394 F397 I398 A404 L425 L426 | Q316-Y429 PolarHBondContact NE2-OH 2.95Å; Q316-Y429 VanDerWaalsContact NE2-OH 3.11Å; W394-Y429 PolarHBondContact NE1-O 3.41Å; F397-Y429 AromaticContact CD1-CD2 3.86Å; F397-Y429 HydrophobicContact CD1-CD2 3.86Å; F397-Y429 AromaticContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CD2 3.78Å; F397-Y429 HydrophobicContact CE1-CG 4.33Å; I398-Y429 HydrophobicContact CG2-CD2 4.48Å; I398-Y429 HydrophobicContact CG2-CE2 4.03Å; A404-Y429 HydrophobicContact CB-CD1 4.21Å; A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE1 4.42Å; A404-Y429 HydrophobicContact CB-CE2 3.84Å; A404-Y429 HydrophobicContact CB-CG 3.79Å; L425-Y429 WeakPolarHBondContact O-CB 3.34Å; L425-Y429 PolarHBondContact O-N 3.48Å; L426-Y429 PolarHBondContact O-N 2.79Å; L426-Y429 VanDerWaalsContact O-N 3.13Å |
| 430 | Y | 90.9 | Very high | 91.3 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -82 | -29.6 | -179.1 | -68.5 | -85.4 | 0 | 0 | 0 | 112.7 | L426 P432 P482 Q485 L486 H489 | L426-Y430 HydrophobicContact CD2-CE2 4.35Å; L426-Y430 VanDerWaalsContact O-CD2 3.27Å; L426-Y430 WeakPolarHBondContact O-CD2 3.49Å; L426-Y430 PolarHBondContact O-N 3.33Å; L426-Y430 VanDerWaalsContact O-N 3.13Å; Y430-P432 VanDerWaalsContact C-CD 3.45Å; Y430-P432 WeakPolarHBondContact O-CD 3.47Å; Y430-P482 VanDerWaalsContact O-CB 3.31Å; Y430-P482 WeakPolarHBondContact O-CB 3.31Å; Y430-Q485 HydrophobicContact CD1-CB 4.21Å; Y430-Q485 HydrophobicContact CD1-CG 3.99Å; Y430-Q485 HydrophobicContact CE1-CG 4.01Å; Y430-L486 HydrophobicContact CD1-CB 4.33Å; Y430-L486 HydrophobicContact CD2-CB 3.71Å; Y430-L486 HydrophobicContact CD2-CD1 3.68Å; Y430-L486 HydrophobicContact CD2-CD2 4.09Å; Y430-L486 HydrophobicContact CD2-CG 4.02Å; Y430-L486 HydrophobicContact CE2-CB 4.16Å; Y430-L486 HydrophobicContact CE2-CD1 3.52Å; Y430-L486 HydrophobicContact CE2-CG 4.31Å; Y430-L486 HydrophobicContact CG-CB 3.84Å; Y430-H489 AromaticContact CE1-CE1 3.78Å; Y430-H489 AromaticContact CE1-ND1 3.22Å; Y430-H489 WeakPolarHBondContact CE1-ND1 3.29Å; Y430-H489 AromaticContact CZ-ND1 3.33Å; Y430-H489 VanDerWaalsContact CZ-ND1 3.33Å; Y430-H489 PolarHBondContact OH-ND1 3.48Å |
| 431 | G | 89.3 | Confident | 91.3 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | trans | -122.6 | 67.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A427 F428 R433 D434 | A427-G431 WeakPolarHBondContact O-CA 3.29Å; A427-G431 PolarHBondContact O-N 3.47Å; F428-G431 CarbonylContact O-C 3.51Å; G431-R433 VanDerWaalsContact C-N 3.29Å; G431-R433 PolarHBondContact O-N 3.01Å; G431-D434 WeakPolarHBondContact O-CB 3.24Å; G431-D434 PolarHBondContact O-N 3.01Å | ||
| 432 | P | 87.6 | Confident | 91.2 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -31.6 | -176.8 | 24 | -34.1 | 0 | 0 | 0 | 113.9 | W394 F428 Y430 D434 | W394-P432 HydrophobicContact CB-CB 3.89Å; W394-P432 VanDerWaalsContact CD1-CB 3.46Å; W394-P432 HydrophobicContact CD2-CB 3.65Å; W394-P432 HydrophobicContact CD2-CG 3.88Å; W394-P432 HydrophobicContact CE3-CB 4.38Å; W394-P432 HydrophobicContact CE3-CG 4.47Å; W394-P432 HydrophobicContact CG-CB 3.39Å; W394-P432 HydrophobicContact CG-CG 4.12Å; W394-P432 HydrophobicContact CZ2-CG 4.03Å; F428-P432 WeakPolarHBondContact O-CA 3.21Å; Y430-P432 VanDerWaalsContact C-CD 3.45Å; Y430-P432 WeakPolarHBondContact O-CD 3.47Å; P432-D434 VanDerWaalsContact C-N 3.32Å |
| 433 | R | 84.2 | Confident | 91.1 | Very high | 185 Ų | 185 | 47.4 Ų | 47.4 | 70% | 0.698 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.7 | 179.9 | -62.5 | -177.4 | -178.3 | 161 | 5.4 | 112.7 | D306 G431 G435 | D306-R433 IonicContact OD1-CZ 3.01Å; D306-R433 IonicContact OD1-NH1 2.78Å; D306-R433 PolarHBondContact OD1-NH1 2.87Å; D306-R433 IonicContact OD1-NH2 3.27Å; G431-R433 VanDerWaalsContact C-N 3.29Å; G431-R433 PolarHBondContact O-N 3.01Å; R433-G435 PolarHBondContact O-N 3.37Å |
| 434 | D | 86.2 | Confident | 91 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | trans | -63.6 | 134.2 | -175.9 | -71.8 | -1.3 | 0 | 0 | 0 | 110.9 | G431 P432 Q438 R439 | G431-D434 WeakPolarHBondContact O-CB 3.24Å; G431-D434 PolarHBondContact O-N 3.01Å; P432-D434 VanDerWaalsContact C-N 3.32Å; D434-Q438 HydrophobicContact CB-CB 3.88Å; D434-R439 HydrophobicContact CB-CB 4.38Å; D434-R439 PolarHBondContact O-NH2 2.68Å | ||
| 435 | G | 86 | Confident | 90.8 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | trans | -67.1 | 168.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R433 Q437 Q438 R439 | R433-G435 PolarHBondContact O-N 3.37Å; G435-Q437 PolarHBondContact O-N 3.39Å; G435-Q437 VanDerWaalsContact O-N 3.13Å; G435-Q438 PolarHBondContact O-N 3.35Å; G435-R439 WeakPolarHBondContact O-CB 3.23Å; G435-R439 PolarHBondContact O-N 3.47Å | ||
| 436 | R | 87.8 | Confident | 90.5 | Very high | 148 Ų | 148 | 56.4 Ų | 56.4 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -51.6 | -38.8 | 176.5 | -175.6 | -177 | -80 | -179.2 | -0.7 | 112.6 | E380 A440 | E380-R436 IonicContact OE2-CZ 3.81Å; E380-R436 IonicContact OE2-NE 3.44Å; E380-R436 PolarHBondContact OE2-NE 3.42Å; E380-R436 IonicContact OE2-NH2 3.13Å; E380-R436 PolarHBondContact OE2-NH2 2.92Å; R436-A440 WeakPolarHBondContact O-CB 3.39Å; R436-A440 PolarHBondContact O-N 3.23Å; R436-A440 VanDerWaalsContact O-N 3.09Å |
| 437 | Q | 89.9 | Confident | 90.4 | Very high | 162 Ų | 162 | 60.3 Ų | 60.3 | 76% | 0.757 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.7 | -47.6 | 179.7 | -70.2 | -178 | -16.9 | 0 | 0 | 112.9 | G435 A440 Q441 | G435-Q437 PolarHBondContact O-N 3.39Å; G435-Q437 VanDerWaalsContact O-N 3.13Å; Q437-A440 PolarHBondContact O-N 3.44Å; Q437-Q441 WeakPolarHBondContact O-CG 3.41Å; Q437-Q441 PolarHBondContact O-N 3.19Å |
| 438 | Q | 89.9 | Confident | 90.2 | Very high | 104 Ų | 104 | 62.7 Ų | 62.7 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.6 | -74.3 | 167.2 | -34.5 | 0 | 0 | 110.8 | D434 G435 A440 Q441 T442 | D434-Q438 HydrophobicContact CB-CB 3.88Å; G435-Q438 PolarHBondContact O-N 3.35Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 3.33Å; Q438-Q441 WeakPolarHBondContact O-CB 3.14Å; Q438-Q441 PolarHBondContact O-N 3.49Å; Q438-T442 PolarHBondContact O-N 3.46Å; Q438-T442 PolarHBondContact O-OG1 3.1Å |
| 439 | R | 91.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.6 | -167.8 | 179.9 | -62.9 | 101.9 | 11.7 | 111.9 | E380 A427 D434 G435 Q441 T442 M443 | E380-R439 IonicContact OE1-NH1 3.66Å; A427-R439 HydrophobicContact CB-CG 3.63Å; D434-R439 HydrophobicContact CB-CB 4.38Å; D434-R439 PolarHBondContact O-NH2 2.68Å; G435-R439 WeakPolarHBondContact O-CB 3.23Å; G435-R439 PolarHBondContact O-N 3.47Å; R439-Q441 VanDerWaalsContact C-N 3.33Å; R439-Q441 PolarHBondContact O-N 3.31Å; R439-T442 PolarHBondContact O-N 2.91Å; R439-M443 HydrophobicContact CG-SD 4.31Å; R439-M443 WeakPolarHBondContact O-CG 3.44Å; R439-M443 PolarHBondContact O-N 2.92Å |
| 440 | A | 92.4 | Very high | 89.7 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R436 Q437 Q438 M443 V444 | R436-A440 WeakPolarHBondContact O-CB 3.39Å; R436-A440 PolarHBondContact O-N 3.23Å; R436-A440 VanDerWaalsContact O-N 3.09Å; Q437-A440 PolarHBondContact O-N 3.44Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 3.33Å; A440-M443 PolarHBondContact O-N 3.35Å; A440-V444 WeakPolarHBondContact O-CG2 3.49Å; A440-V444 PolarHBondContact O-N 2.98Å |
| 441 | Q | 91.7 | Very high | 89.5 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.3 | -47.1 | 174.1 | -69.3 | 170.6 | -8.3 | 0 | 0 | 111.4 | Q437 Q438 R439 M443 V444 Q445 | Q437-Q441 WeakPolarHBondContact O-CG 3.41Å; Q437-Q441 PolarHBondContact O-N 3.19Å; Q438-Q441 WeakPolarHBondContact O-CB 3.14Å; Q438-Q441 PolarHBondContact O-N 3.49Å; R439-Q441 VanDerWaalsContact C-N 3.33Å; R439-Q441 PolarHBondContact O-N 3.31Å; Q441-M443 VanDerWaalsContact C-N 3.31Å; Q441-M443 PolarHBondContact O-N 3.48Å; Q441-V444 PolarHBondContact O-N 3.04Å; Q441-V444 VanDerWaalsContact O-N 3.15Å; Q441-Q445 WeakPolarHBondContact O-CG 3.42Å; Q441-Q445 PolarHBondContact O-N 3.29Å |
| 442 | T | 91.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.3 | -45.8 | 174.4 | -59 | 0 | 0 | 0 | 0 | 110.9 | A427 Q438 R439 V444 Q445 V446 A483 L486 | A427-T442 HydrophobicContact CB-CG2 4.01Å; Q438-T442 PolarHBondContact O-N 3.46Å; Q438-T442 PolarHBondContact O-OG1 3.1Å; R439-T442 PolarHBondContact O-N 2.91Å; T442-V444 VanDerWaalsContact C-N 3.34Å; T442-V444 PolarHBondContact O-N 2.86Å; T442-Q445 PolarHBondContact O-N 3.29Å; T442-V446 HydrophobicContact CG2-CG2 4.14Å; T442-V446 WeakPolarHBondContact O-CB 3.34Å; T442-V446 WeakPolarHBondContact O-CG2 3.43Å; T442-V446 PolarHBondContact O-N 3.49Å; T442-A483 HydrophobicContact CG2-CB 4.01Å; T442-L486 HydrophobicContact CG2-CD2 4.33Å |
| 443 | M | 93.5 | Very high | 89.4 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 14% | 0.138 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 177.2 | -70.4 | 167.9 | 65.9 | 0 | 0 | 112.8 | T420 L423 W424 A427 R439 A440 Q441 K447 | T420-M443 HydrophobicContact CG2-CE 3.58Å; L423-M443 HydrophobicContact CB-CB 4.5Å; L423-M443 HydrophobicContact CB-CE 4.16Å; L423-M443 HydrophobicContact CB-CG 4.25Å; W424-M443 HydrophobicContact CB-CE 3.97Å; W424-M443 HydrophobicContact CB-SD 4.04Å; W424-M443 HydrophobicContact CG-SD 4.4Å; A427-M443 HydrophobicContact CB-CG 3.78Å; R439-M443 HydrophobicContact CG-SD 4.31Å; R439-M443 WeakPolarHBondContact O-CG 3.44Å; R439-M443 PolarHBondContact O-N 2.92Å; A440-M443 PolarHBondContact O-N 3.35Å; Q441-M443 VanDerWaalsContact C-N 3.31Å; Q441-M443 PolarHBondContact O-N 3.48Å; M443-K447 WeakPolarHBondContact O-CB 3.37Å; M443-K447 PolarHBondContact O-N 3.19Å |
| 444 | V | 92 | Very high | 89.5 | Confident | 104 Ų | 104 | 57.6 Ų | 57.6 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | A440 Q441 T442 K447 A448 | A440-V444 WeakPolarHBondContact O-CG2 3.49Å; A440-V444 PolarHBondContact O-N 2.98Å; Q441-V444 PolarHBondContact O-N 3.04Å; Q441-V444 VanDerWaalsContact O-N 3.15Å; T442-V444 VanDerWaalsContact C-N 3.34Å; T442-V444 PolarHBondContact O-N 2.86Å; V444-K447 PolarHBondContact O-N 2.76Å; V444-A448 PolarHBondContact O-N 3.32Å |
| 445 | Q | 90 | Very high | 89.5 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 177.2 | -69.7 | 176 | -1.3 | 0 | 0 | 111.1 | Q441 T442 K447 A448 V449 | Q441-Q445 WeakPolarHBondContact O-CG 3.42Å; Q441-Q445 PolarHBondContact O-N 3.29Å; T442-Q445 PolarHBondContact O-N 3.29Å; Q445-K447 PolarHBondContact O-N 3.42Å; Q445-A448 WeakPolarHBondContact O-CB 3.35Å; Q445-A448 PolarHBondContact O-N 2.87Å; Q445-V449 WeakPolarHBondContact O-CG2 3.49Å; Q445-V449 PolarHBondContact O-N 3Å |
| 446 | V | 90.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -40 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L423 T442 A448 V449 L450 L486 L490 | L423-V446 HydrophobicContact CD2-CG1 3.91Å; T442-V446 HydrophobicContact CG2-CG2 4.14Å; T442-V446 WeakPolarHBondContact O-CB 3.34Å; T442-V446 WeakPolarHBondContact O-CG2 3.43Å; T442-V446 PolarHBondContact O-N 3.49Å; V446-A448 VanDerWaalsContact C-N 3.32Å; V446-A448 PolarHBondContact O-N 2.95Å; V446-V449 PolarHBondContact O-N 3.39Å; V446-L450 HydrophobicContact CG1-CD1 3.83Å; V446-L450 HydrophobicContact CG1-CG 4.37Å; V446-L450 WeakPolarHBondContact O-CB 3.49Å; V446-L450 WeakPolarHBondContact O-CG 3.47Å; V446-L450 PolarHBondContact O-N 3.44Å; V446-L486 HydrophobicContact CB-CD2 4.47Å; V446-L486 HydrophobicContact CG1-CD2 4.28Å; V446-L486 HydrophobicContact CG1-CG 4.49Å; V446-L486 HydrophobicContact CG2-CD2 3.49Å; V446-L486 VanDerWaalsContact CG2-CD2 3.49Å; V446-L486 HydrophobicContact CG2-CG 3.87Å; V446-L490 HydrophobicContact CG1-CD1 3.55Å |
| 447 | K | 91.4 | Very high | 89 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 174.8 | -175.4 | 176.4 | -177.8 | -178.8 | 0 | 111.7 | E417 P418 L423 M443 V444 Q445 G451 | E417-K447 WeakPolarHBondContact OE1-CE 3.37Å; E417-K447 IonicContact OE1-NZ 2.64Å; E417-K447 PolarHBondContact OE1-NZ 3.36Å; P418-K447 HydrophobicContact CG-CG 4.02Å; L423-K447 HydrophobicContact CD1-CB 3.91Å; L423-K447 HydrophobicContact CD1-CD 4.17Å; L423-K447 HydrophobicContact CD1-CG 4.12Å; M443-K447 WeakPolarHBondContact O-CB 3.37Å; M443-K447 PolarHBondContact O-N 3.19Å; V444-K447 PolarHBondContact O-N 2.76Å; Q445-K447 PolarHBondContact O-N 3.42Å; K447-G451 PolarHBondContact O-N 3.13Å |
| 448 | A | 89.7 | Confident | 88.5 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V444 Q445 V446 L450 G451 H452 | V444-A448 PolarHBondContact O-N 3.32Å; Q445-A448 WeakPolarHBondContact O-CB 3.35Å; Q445-A448 PolarHBondContact O-N 2.87Å; V446-A448 VanDerWaalsContact C-N 3.32Å; V446-A448 PolarHBondContact O-N 2.95Å; A448-L450 PolarHBondContact O-N 2.73Å; A448-G451 PolarHBondContact O-N 3.47Å; A448-H452 PolarHBondContact O-N 3.16Å; A448-H452 VanDerWaalsContact O-N 3.1Å; A448-H452 PolarHBondContact O-ND1 2.91Å |
| 449 | V | 89 | Confident | 87.9 | Confident | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | Q445 V446 G451 H452 L453 V470 I487 | Q445-V449 WeakPolarHBondContact O-CG2 3.49Å; Q445-V449 PolarHBondContact O-N 3Å; V446-V449 PolarHBondContact O-N 3.39Å; V449-G451 VanDerWaalsContact C-N 3.31Å; V449-G451 PolarHBondContact O-N 2.97Å; V449-H452 WeakPolarHBondContact O-CB 3.49Å; V449-H452 PolarHBondContact O-N 3.25Å; V449-H452 VanDerWaalsContact O-N 3.12Å; V449-L453 HydrophobicContact CG1-CD1 3.99Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 WeakPolarHBondContact O-CG 3.28Å; V449-L453 PolarHBondContact O-N 3.29Å; V449-V470 HydrophobicContact CB-CG1 4.45Å; V449-V470 HydrophobicContact CG1-CG1 3.96Å; V449-I487 HydrophobicContact CG1-CG2 4.28Å; V449-I487 HydrophobicContact CG2-CD1 4.09Å; V449-I487 HydrophobicContact CG2-CG1 4.12Å |
| 450 | L | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 177 | -77.1 | 166.9 | 0 | 0 | 0 | 112.4 | L411 L412 P418 L423 V446 A448 H452 L453 L454 L490 | L411-L450 HydrophobicContact CB-CD1 4.33Å; L411-L450 HydrophobicContact CB-CD2 4.33Å; L411-L450 HydrophobicContact CD1-CD1 3.97Å; L412-L450 HydrophobicContact CD2-CD2 3.9Å; L412-L450 HydrophobicContact CG-CD2 4.35Å; P418-L450 HydrophobicContact CB-CD1 4.44Å; L423-L450 HydrophobicContact CD2-CD1 3.52Å; V446-L450 HydrophobicContact CG1-CD1 3.83Å; V446-L450 HydrophobicContact CG1-CG 4.37Å; V446-L450 WeakPolarHBondContact O-CB 3.49Å; V446-L450 WeakPolarHBondContact O-CG 3.47Å; V446-L450 PolarHBondContact O-N 3.44Å; A448-L450 PolarHBondContact O-N 2.73Å; L450-H452 VanDerWaalsContact C-N 3.31Å; L450-H452 PolarHBondContact O-N 3.42Å; L450-L453 PolarHBondContact O-N 3.4Å; L450-L454 WeakPolarHBondContact O-CB 3.28Å; L450-L454 VanDerWaalsContact O-CG 3.26Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 3.21Å; L450-L490 HydrophobicContact CD1-CD1 4.31Å; L450-L490 HydrophobicContact CD2-CD1 4.07Å; L450-L490 HydrophobicContact CD2-CD2 4.07Å; L450-L490 HydrophobicContact CG-CD1 4.04Å |
| 451 | G | 87.6 | Confident | 86 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K447 A448 V449 A455 | K447-G451 PolarHBondContact O-N 3.13Å; A448-G451 PolarHBondContact O-N 3.47Å; V449-G451 VanDerWaalsContact C-N 3.31Å; V449-G451 PolarHBondContact O-N 2.97Å; G451-A455 WeakPolarHBondContact O-CB 3.09Å; G451-A455 PolarHBondContact O-N 2.89Å |
| 452 | H | 86.9 | Confident | 85.5 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 174.7 | -65.4 | 99.8 | 0 | 0 | 0 | 111.8 | A448 V449 L450 L454 A455 M456 V470 | A448-H452 PolarHBondContact O-N 3.16Å; A448-H452 VanDerWaalsContact O-N 3.1Å; A448-H452 PolarHBondContact O-ND1 2.91Å; V449-H452 WeakPolarHBondContact O-CB 3.49Å; V449-H452 PolarHBondContact O-N 3.25Å; V449-H452 VanDerWaalsContact O-N 3.12Å; L450-H452 VanDerWaalsContact C-N 3.31Å; L450-H452 PolarHBondContact O-N 3.42Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L454 PolarHBondContact O-N 2.9Å; H452-A455 PolarHBondContact O-N 3.46Å; H452-A455 VanDerWaalsContact O-N 3.17Å; H452-M456 VanDerWaalsContact O-CB 3.27Å; H452-M456 WeakPolarHBondContact O-CB 3.38Å; H452-M456 VanDerWaalsContact O-CG 3.26Å; H452-M456 WeakPolarHBondContact O-CG 3.48Å; H452-M456 PolarHBondContact O-N 3.44Å; H452-V470 HydrophobicContact CB-CB 4.47Å; H452-V470 HydrophobicContact CB-CG1 3.8Å; H452-V470 HydrophobicContact CB-CG2 3.76Å |
| 453 | L | 88.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.8 | -65.3 | 177.4 | 0 | 0 | 0 | 112.4 | L412 V449 L450 A455 M456 S457 L467 V470 L491 F494 | L412-L453 HydrophobicContact CD2-CB 4.4Å; L412-L453 HydrophobicContact CD2-CD1 4.24Å; V449-L453 HydrophobicContact CG1-CD1 3.99Å; V449-L453 HydrophobicContact CG1-CG 4.32Å; V449-L453 WeakPolarHBondContact O-CG 3.28Å; V449-L453 PolarHBondContact O-N 3.29Å; L450-L453 PolarHBondContact O-N 3.4Å; L453-A455 VanDerWaalsContact C-N 3.35Å; L453-M456 PolarHBondContact O-N 2.95Å; L453-S457 PolarHBondContact O-N 2.89Å; L453-L467 HydrophobicContact CD2-CD2 3.43Å; L453-L467 VanDerWaalsContact CD2-CD2 3.43Å; L453-V470 HydrophobicContact CD2-CG1 4.35Å; L453-L491 HydrophobicContact CD1-CD2 4.26Å; L453-L491 HydrophobicContact CD2-CD2 3.73Å; L453-F494 HydrophobicContact CB-CD2 3.97Å; L453-F494 HydrophobicContact CB-CE2 4.29Å; L453-F494 HydrophobicContact CD1-CB 4.32Å; L453-F494 HydrophobicContact CD2-CB 4.48Å; L453-F494 HydrophobicContact CD2-CD1 4.28Å; L453-F494 HydrophobicContact CD2-CD2 4.26Å; L453-F494 HydrophobicContact CD2-CG 4.09Å; L453-F494 VanDerWaalsContact O-CE2 3.27Å; L453-F494 WeakPolarHBondContact O-CE2 3.48Å |
| 454 | L | 85.4 | Confident | 84.7 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.8 | -29.6 | 176.8 | -70.2 | 173.1 | 0 | 0 | 0 | 112.9 | L412 L450 H452 S457 | L412-L454 WeakPolarHBondContact O-CD2 3.31Å; L450-L454 WeakPolarHBondContact O-CB 3.28Å; L450-L454 VanDerWaalsContact O-CG 3.26Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 3.21Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L454 PolarHBondContact O-N 2.9Å; L454-S457 PolarHBondContact O-OG 2.64Å |
| 455 | A | 85.3 | Confident | 84.2 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.9 | -40.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G451 H452 L453 R458 S459 | G451-A455 WeakPolarHBondContact O-CB 3.09Å; G451-A455 PolarHBondContact O-N 2.89Å; H452-A455 PolarHBondContact O-N 3.46Å; H452-A455 VanDerWaalsContact O-N 3.17Å; L453-A455 VanDerWaalsContact C-N 3.35Å; A455-R458 PolarHBondContact O-N 3.41Å; A455-S459 PolarHBondContact O-OG 2.85Å |
| 456 | M | 83.7 | Confident | 83.8 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 177.9 | -81.5 | 179.8 | 80.2 | 0 | 0 | 112.7 | H452 L453 R458 S459 L462 D466 L467 V470 F494 | H452-M456 VanDerWaalsContact O-CB 3.27Å; H452-M456 WeakPolarHBondContact O-CB 3.38Å; H452-M456 VanDerWaalsContact O-CG 3.26Å; H452-M456 WeakPolarHBondContact O-CG 3.48Å; H452-M456 PolarHBondContact O-N 3.44Å; L453-M456 PolarHBondContact O-N 2.95Å; M456-R458 PolarHBondContact O-N 3.3Å; M456-R458 VanDerWaalsContact O-N 3.08Å; M456-S459 WeakPolarHBondContact O-CB 3.45Å; M456-S459 PolarHBondContact O-N 3.33Å; M456-L462 HydrophobicContact CB-CD2 3.63Å; M456-L462 HydrophobicContact CE-CD2 3.35Å; M456-L462 HydrophobicContact CG-CD2 4.08Å; M456-D466 HydrophobicContact CE-CB 3.44Å; M456-D466 VanDerWaalsContact CE-CB 3.44Å; M456-L467 HydrophobicContact CE-CD2 3.44Å; M456-L467 VanDerWaalsContact CE-CD2 3.44Å; M456-L467 HydrophobicContact CE-CG 3.77Å; M456-L467 HydrophobicContact SD-CD2 3.87Å; M456-V470 HydrophobicContact SD-CG2 3.85Å; M456-F494 HydrophobicContact CB-CZ 4.39Å |
| 457 | S | 81 | Confident | 83.3 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.3 | 175.3 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | L453 L454 | L453-S457 PolarHBondContact O-N 2.89Å; L454-S457 PolarHBondContact O-OG 2.64Å |
| 458 | R | 78.3 | Confident | 82.6 | Confident | 185 Ų | 185 | 57.1 Ų | 57.1 | 70% | 0.698 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -10.7 | 177.5 | -58.1 | 175.6 | -176.4 | 173.6 | 1.1 | 113 | A415 A455 M456 | A415-R458 PolarHBondContact O-NH2 2.92Å; A455-R458 PolarHBondContact O-N 3.41Å; M456-R458 PolarHBondContact O-N 3.3Å; M456-R458 VanDerWaalsContact O-N 3.08Å |
| 459 | S | 77 | Confident | 82.1 | Confident | 63 Ų | 63 | 60 Ų | 60 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | trans | -84.3 | 140.8 | -177.6 | -62 | 0 | 0 | 0 | 0 | 110.5 | A455 M456 S461 | A455-S459 PolarHBondContact O-OG 2.85Å; M456-S459 WeakPolarHBondContact O-CB 3.45Å; M456-S459 PolarHBondContact O-N 3.33Å; S459-S461 VanDerWaalsContact C-N 3.35Å | ||
| 460 | S | 69.4 | Low | 81.5 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 94% | 0.937 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.7 | -18 | -177 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 461 | S | 75.2 | Confident | 80.6 | Confident | 92 Ų | 92 | 60.7 Ų | 60.7 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | trans | -127.7 | 118.8 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | S459 | S459-S461 VanDerWaalsContact C-N 3.35Š| ||
| 462 | L | 82.6 | Confident | 79.7 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | trans | -118.9 | 129.9 | 176.4 | -78.3 | 155.5 | 0 | 0 | 0 | 107.9 | M456 F494 I504 | M456-L462 HydrophobicContact CB-CD2 3.63Å; M456-L462 HydrophobicContact CE-CD2 3.35Å; M456-L462 HydrophobicContact CG-CD2 4.08Å; L462-F494 HydrophobicContact CD1-CZ 4.37Å; L462-F494 HydrophobicContact CD2-CZ 4.44Å; L462-I504 HydrophobicContact CB-CD1 3.94Å; L462-I504 VanDerWaalsContact O-CG2 3.32Å; L462-I504 WeakPolarHBondContact O-CG2 3.46Å | ||
| 463 | S | 84.3 | Confident | 78.2 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | trans | -115.3 | 157.2 | 172.3 | 79.6 | 0 | 0 | 0 | 0 | 111.3 | Q465 D466 | S463-Q465 PolarHBondContact O-N 3.2Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 3.48Å; S463-D466 PolarHBondContact O-N 3.39Å; S463-D466 PolarHBondContact OG-N 3.12Å; S463-D466 PolarHBondContact OG-OD1 3.01Å; S463-D466 PolarHBondContact OG-OD2 3.03Å | ||
| 464 | A | 81.9 | Confident | 76.3 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -31.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L467 Q468 D507 V508 L511 | A464-L467 PolarHBondContact O-N 3.13Å; A464-Q468 PolarHBondContact O-N 3.37Å; A464-Q468 VanDerWaalsContact O-N 3.1Å; A464-D507 HydrophobicContact CB-CB 3.74Å; A464-V508 HydrophobicContact CB-CG2 3.64Å; A464-L511 HydrophobicContact CB-CD1 3.78Å |
| 465 | Q | 82.1 | Confident | 74.6 | Confident | 142 Ų | 142 | 65.4 Ų | 65.4 | 66% | 0.664 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | 176.9 | -68.4 | -179.4 | -3.5 | 0 | 0 | 111.5 | S463 L467 Q468 T469 | S463-Q465 PolarHBondContact O-N 3.2Å; Q465-L467 VanDerWaalsContact C-N 3.28Å; Q465-L467 PolarHBondContact O-N 3.42Å; Q465-Q468 PolarHBondContact O-N 2.98Å; Q465-T469 WeakPolarHBondContact O-CG2 3.29Å; Q465-T469 PolarHBondContact O-N 3.34Å; Q465-T469 VanDerWaalsContact O-N 3.07Å |
| 466 | D | 81 | Confident | 73 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 176.6 | -58 | -42.7 | 0 | 0 | 0 | 110.6 | M456 S463 T469 V470 | M456-D466 HydrophobicContact CE-CB 3.44Å; M456-D466 VanDerWaalsContact CE-CB 3.44Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 3.48Å; S463-D466 PolarHBondContact O-N 3.39Å; S463-D466 PolarHBondContact OG-N 3.12Å; S463-D466 PolarHBondContact OG-OD1 3.01Å; S463-D466 PolarHBondContact OG-OD2 3.03Å; D466-T469 PolarHBondContact O-N 2.92Å; D466-T469 PolarHBondContact O-OG1 3.39Å; D466-V470 WeakPolarHBondContact O-CG2 3.45Å; D466-V470 PolarHBondContact O-N 2.97Å |
| 467 | L | 80.9 | Confident | 71.9 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.01 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -70.1 | -34.3 | 178.7 | -72 | -179 | 0 | 0 | 0 | 113.5 | L453 M456 A464 Q465 T469 V470 A471 L491 F494 L495 I504 V508 | L453-L467 HydrophobicContact CD2-CD2 3.43Å; L453-L467 VanDerWaalsContact CD2-CD2 3.43Å; M456-L467 HydrophobicContact CE-CD2 3.44Å; M456-L467 VanDerWaalsContact CE-CD2 3.44Å; M456-L467 HydrophobicContact CE-CG 3.77Å; M456-L467 HydrophobicContact SD-CD2 3.87Å; A464-L467 PolarHBondContact O-N 3.13Å; Q465-L467 VanDerWaalsContact C-N 3.28Å; Q465-L467 PolarHBondContact O-N 3.42Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.41Å; L467-V470 PolarHBondContact O-N 3.46Å; L467-A471 WeakPolarHBondContact O-CB 3.24Å; L467-A471 PolarHBondContact O-N 3.43Å; L467-L491 HydrophobicContact CD2-CD2 4.14Å; L467-F494 HydrophobicContact CD1-CD1 4.21Å; L467-F494 HydrophobicContact CD1-CE1 4.11Å; L467-F494 HydrophobicContact CD2-CD1 4.35Å; L467-F494 HydrophobicContact CD2-CE1 4.15Å; L467-L495 HydrophobicContact CD1-CD2 3.85Å; L467-I504 HydrophobicContact CD1-CD1 3.54Å; L467-I504 HydrophobicContact CD1-CG1 4.47Å; L467-I504 HydrophobicContact CG-CD1 4.25Å; L467-V508 HydrophobicContact CB-CG2 4.48Å; L467-V508 HydrophobicContact CD1-CG1 4.46Å; L467-V508 HydrophobicContact CD1-CG2 3.88Å |
| 468 | Q | 77.4 | Confident | 71.3 | Confident | 69 Ų | 69 | 75.7 Ų | 75.7 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 173 | -76.3 | -169.3 | -40.4 | 0 | 0 | 112.2 | A464 Q465 V470 A471 G472 L511 | A464-Q468 PolarHBondContact O-N 3.37Å; A464-Q468 VanDerWaalsContact O-N 3.1Å; Q465-Q468 PolarHBondContact O-N 2.98Å; Q468-V470 VanDerWaalsContact C-N 3.32Å; Q468-V470 PolarHBondContact O-N 3.37Å; Q468-A471 PolarHBondContact O-N 3.06Å; Q468-G472 PolarHBondContact O-N 2.85Å; Q468-L511 HydrophobicContact CG-CD1 4.35Å |
| 469 | T | 77.6 | Confident | 70.7 | Confident | 112 Ų | 112 | 70.2 Ų | 70.2 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 177.1 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | Q465 D466 L467 G472 | Q465-T469 WeakPolarHBondContact O-CG2 3.29Å; Q465-T469 PolarHBondContact O-N 3.34Å; Q465-T469 VanDerWaalsContact O-N 3.07Å; D466-T469 PolarHBondContact O-N 2.92Å; D466-T469 PolarHBondContact O-OG1 3.39Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.41Å; T469-G472 PolarHBondContact O-N 3.04Å |
| 470 | V | 77.1 | Confident | 70.2 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 13% | 0.127 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.8 | V449 H452 L453 M456 D466 L467 Q468 G472 | V449-V470 HydrophobicContact CB-CG1 4.45Å; V449-V470 HydrophobicContact CG1-CG1 3.96Å; H452-V470 HydrophobicContact CB-CB 4.47Å; H452-V470 HydrophobicContact CB-CG1 3.8Å; H452-V470 HydrophobicContact CB-CG2 3.76Å; L453-V470 HydrophobicContact CD2-CG1 4.35Å; M456-V470 HydrophobicContact SD-CG2 3.85Å; D466-V470 WeakPolarHBondContact O-CG2 3.45Å; D466-V470 PolarHBondContact O-N 2.97Å; L467-V470 PolarHBondContact O-N 3.46Å; Q468-V470 VanDerWaalsContact C-N 3.32Å; Q468-V470 PolarHBondContact O-N 3.37Å; V470-G472 PolarHBondContact O-N 3.08Å |
| 471 | A | 70.3 | Confident | 70.8 | Confident | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.025 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.4 | -17.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L467 Q468 Q473 I487 L491 | L467-A471 WeakPolarHBondContact O-CB 3.24Å; L467-A471 PolarHBondContact O-N 3.43Å; Q468-A471 PolarHBondContact O-N 3.06Å; A471-Q473 HydrophobicContact CB-CB 4.42Å; A471-Q473 HydrophobicContact CB-CG 3.76Å; A471-Q473 PolarHBondContact O-N 3.31Å; A471-I487 HydrophobicContact CB-CG2 4.34Å; A471-L491 HydrophobicContact CB-CD1 3.51Å |
| 472 | G | 68.1 | Low | 71 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 17 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q468 T469 V470 G474 T475 | Q468-G472 PolarHBondContact O-N 2.85Å; T469-G472 PolarHBondContact O-N 3.04Å; V470-G472 PolarHBondContact O-N 3.08Å; G472-G474 PolarHBondContact O-N 3.43Å; G472-T475 PolarHBondContact O-OG1 3.47Å |
| 473 | Q | 56.2 | Low | 71.1 | Confident | 47 Ų | 47 | 67 Ų | 67 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 5.8 | -174.6 | -72.4 | -179.5 | 7.1 | 0 | 0 | 114.1 | A471 | A471-Q473 HydrophobicContact CB-CB 4.42Å; A471-Q473 HydrophobicContact CB-CG 3.76Å; A471-Q473 PolarHBondContact O-N 3.31Å |
| 474 | G | 47.7 | Very low | 71.3 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 85% | 0.845 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -4.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G472 | G472-G474 PolarHBondContact O-N 3.43Š|
| 475 | T | 49.6 | Very low | 71.6 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 63% | 0.632 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -103.7 | 148.3 | 175.2 | 42 | 0 | 0 | 0 | 0 | 110.8 | G472 T477 | G472-T475 PolarHBondContact O-OG1 3.47Å; T475-T477 VanDerWaalsContact C-OG1 3.26Å; T475-T477 PolarHBondContact O-N 2.95Å; T475-T477 PolarHBondContact O-OG1 3.13Å; T475-T477 PolarHBondContact OG1-OG1 3.33Å |
| 476 | D | 50.9 | Low | 72 | Confident | 188 Ų | 188 | 60.4 Ų | 60.4 | 100% | 1.005 | 35% | 0.35 | S | S | * | . | trans | -61.7 | 54.6 | -179.7 | -145.7 | 13.2 | 0 | 0 | 0 | 112.4 | ||||
| 477 | T | 60.8 | Low | 72.4 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | trans | -99.9 | 133.7 | -169.2 | -23.5 | 0 | 0 | 0 | 0 | 106.7 | T475 L479 | T475-T477 VanDerWaalsContact C-OG1 3.26Å; T475-T477 PolarHBondContact O-N 2.95Å; T475-T477 PolarHBondContact O-OG1 3.13Å; T475-T477 PolarHBondContact OG1-OG1 3.33Å; T477-L479 PolarHBondContact O-N 2.65Å | ||
| 478 | D | 69.3 | Low | 72.9 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | trans | -51.7 | 110.8 | 176.4 | -177 | -2 | 0 | 0 | 0 | 110 | R480 A481 | D478-R480 PolarHBondContact O-N 3.32Å; D478-R480 VanDerWaalsContact O-N 3.11Å; D478-R480 WeakPolarHBondContact OD1-CB 3.35Å; D478-R480 PolarHBondContact OD1-N 3.02Å; D478-A481 HydrophobicContact CB-CB 4.34Å; D478-A481 WeakPolarHBondContact O-CB 3.42Å; D478-A481 PolarHBondContact O-N 3.09Å | ||
| 479 | L | 65.2 | Low | 73.5 | Confident | 69 Ų | 69 | 55 Ų | 55 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.8 | -177 | -68.9 | 171.4 | 0 | 0 | 0 | 111.6 | T477 R488 I518 | T477-L479 PolarHBondContact O-N 2.65Å; L479-R488 PolarHBondContact O-NH1 3.1Å; L479-R488 PolarHBondContact O-NH2 2.79Å; L479-I518 HydrophobicContact CD1-CD1 4.34Å |
| 480 | R | 67.3 | Low | 74.2 | Confident | 168 Ų | 168 | 49.7 Ų | 49.7 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0.2 | 177 | -62.4 | -171.9 | -175.5 | 174.4 | 3.7 | 113.6 | D478 E517 | D478-R480 PolarHBondContact O-N 3.32Å; D478-R480 VanDerWaalsContact O-N 3.11Å; D478-R480 WeakPolarHBondContact OD1-CB 3.35Å; D478-R480 PolarHBondContact OD1-N 3.02Å; R480-E517 IonicContact CZ-OE2 3.54Å; R480-E517 IonicContact NE-OE2 2.89Å; R480-E517 PolarHBondContact NE-OE2 3.29Å; R480-E517 IonicContact NH2-OE1 2.68Å; R480-E517 PolarHBondContact NH2-OE1 3.09Å; R480-E517 IonicContact NH2-OE2 2.83Å; R480-E517 PolarHBondContact NH2-OE2 2.82Å |
| 481 | A | 80.9 | Confident | 74.8 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | trans | -58.6 | 133.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D478 A483 Q484 Q485 | D478-A481 HydrophobicContact CB-CB 4.34Å; D478-A481 WeakPolarHBondContact O-CB 3.42Å; D478-A481 PolarHBondContact O-N 3.09Å; A481-A483 PolarHBondContact O-N 3.44Å; A481-Q484 HydrophobicContact CB-CG 4.31Å; A481-Q484 WeakPolarHBondContact O-CB 3.36Å; A481-Q484 PolarHBondContact O-N 2.94Å; A481-Q485 PolarHBondContact O-N 3.1Å | ||
| 482 | P | 80.5 | Confident | 75.9 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -47.2 | -40.3 | 179.1 | -36.5 | 39.3 | 0 | 0 | 0 | 114.9 | Y430 Q484 Q485 L486 | Y430-P482 VanDerWaalsContact O-CB 3.31Å; Y430-P482 WeakPolarHBondContact O-CB 3.31Å; P482-Q484 PolarHBondContact O-N 3.35Å; P482-Q485 PolarHBondContact O-N 3.17Å; P482-L486 WeakPolarHBondContact O-CB 3.48Å; P482-L486 PolarHBondContact O-N 3.03Å |
| 483 | A | 85.1 | Confident | 76.9 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | T442 A481 L486 I487 | T442-A483 HydrophobicContact CG2-CB 4.01Å; A481-A483 PolarHBondContact O-N 3.44Å; A483-L486 PolarHBondContact O-N 2.7Å; A483-I487 WeakPolarHBondContact O-CB 3.45Å; A483-I487 WeakPolarHBondContact O-CD1 3.39Å; A483-I487 WeakPolarHBondContact O-CG1 3.48Å; A483-I487 PolarHBondContact O-N 3.22Å |
| 484 | Q | 87 | Confident | 78.5 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.3 | -40.8 | -179.9 | -70.6 | -61.2 | -27.9 | 0 | 0 | 111.7 | A481 P482 I487 R488 | A481-Q484 HydrophobicContact CB-CG 4.31Å; A481-Q484 WeakPolarHBondContact O-CB 3.36Å; A481-Q484 PolarHBondContact O-N 2.94Å; P482-Q484 PolarHBondContact O-N 3.35Å; Q484-I487 PolarHBondContact O-N 3.04Å; Q484-R488 WeakPolarHBondContact O-CG 3.48Å; Q484-R488 PolarHBondContact O-N 3.45Å |
| 485 | Q | 87.8 | Confident | 80.6 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.2 | -169.2 | -179.3 | 5.1 | 0 | 0 | 111.8 | Y430 A481 P482 I487 R488 H489 | Y430-Q485 HydrophobicContact CD1-CB 4.21Å; Y430-Q485 HydrophobicContact CD1-CG 3.99Å; Y430-Q485 HydrophobicContact CE1-CG 4.01Å; A481-Q485 PolarHBondContact O-N 3.1Å; P482-Q485 PolarHBondContact O-N 3.17Å; Q485-I487 PolarHBondContact O-N 3.24Å; Q485-R488 PolarHBondContact O-N 3.04Å; Q485-H489 PolarHBondContact O-N 3.05Å |
| 486 | L | 90.6 | Very high | 82.4 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 174.5 | 172.4 | 51.6 | 0 | 0 | 0 | 111.8 | L426 Y430 T442 V446 P482 A483 R488 H489 L490 | L426-L486 HydrophobicContact CB-CD1 3.83Å; L426-L486 HydrophobicContact CB-CD2 3.91Å; L426-L486 HydrophobicContact CD1-CD1 3.92Å; L426-L486 HydrophobicContact CD2-CD1 4.45Å; L426-L486 HydrophobicContact CG-CD1 4.28Å; Y430-L486 HydrophobicContact CD1-CB 4.33Å; Y430-L486 HydrophobicContact CD2-CB 3.71Å; Y430-L486 HydrophobicContact CD2-CD1 3.68Å; Y430-L486 HydrophobicContact CD2-CD2 4.09Å; Y430-L486 HydrophobicContact CD2-CG 4.02Å; Y430-L486 HydrophobicContact CE2-CB 4.16Å; Y430-L486 HydrophobicContact CE2-CD1 3.52Å; Y430-L486 HydrophobicContact CE2-CG 4.31Å; Y430-L486 HydrophobicContact CG-CB 3.84Å; T442-L486 HydrophobicContact CG2-CD2 4.33Å; V446-L486 HydrophobicContact CB-CD2 4.47Å; V446-L486 HydrophobicContact CG1-CD2 4.28Å; V446-L486 HydrophobicContact CG1-CG 4.49Å; V446-L486 HydrophobicContact CG2-CD2 3.49Å; V446-L486 VanDerWaalsContact CG2-CD2 3.49Å; V446-L486 HydrophobicContact CG2-CG 3.87Å; P482-L486 WeakPolarHBondContact O-CB 3.48Å; P482-L486 PolarHBondContact O-N 3.03Å; A483-L486 PolarHBondContact O-N 2.7Å; L486-R488 PolarHBondContact O-N 2.92Å; L486-H489 PolarHBondContact O-N 3.24Å; L486-L490 HydrophobicContact CD1-CD1 3.99Å; L486-L490 HydrophobicContact CD1-CG 4.01Å; L486-L490 HydrophobicContact CG-CD1 4.28Å; L486-L490 WeakPolarHBondContact O-CG 3.46Å; L486-L490 PolarHBondContact O-N 2.89Å |
| 487 | I | 90.4 | Very high | 84 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.3 | -72.5 | 164.9 | 0 | 0 | 0 | 110.7 | V449 A471 A483 Q484 Q485 H489 L490 L491 | V449-I487 HydrophobicContact CG1-CG2 4.28Å; V449-I487 HydrophobicContact CG2-CD1 4.09Å; V449-I487 HydrophobicContact CG2-CG1 4.12Å; A471-I487 HydrophobicContact CB-CG2 4.34Å; A483-I487 WeakPolarHBondContact O-CB 3.45Å; A483-I487 WeakPolarHBondContact O-CD1 3.39Å; A483-I487 WeakPolarHBondContact O-CG1 3.48Å; A483-I487 PolarHBondContact O-N 3.22Å; Q484-I487 PolarHBondContact O-N 3.04Å; Q485-I487 PolarHBondContact O-N 3.24Å; I487-H489 PolarHBondContact O-N 2.85Å; I487-L490 PolarHBondContact O-N 2.88Å; I487-L491 HydrophobicContact CG2-CD1 4.07Å; I487-L491 HydrophobicContact CG2-CG 4.48Å; I487-L491 VanDerWaalsContact O-CG 3.31Å; I487-L491 WeakPolarHBondContact O-CG 3.46Å; I487-L491 PolarHBondContact O-N 3.08Å |
| 488 | R | 90.2 | Very high | 85.1 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 176.3 | -73.6 | -171.5 | -60.4 | -92.9 | 9.9 | 112.1 | L479 Q484 Q485 L486 L490 L491 L492 M512 E521 | L479-R488 PolarHBondContact O-NH1 3.1Å; L479-R488 PolarHBondContact O-NH2 2.79Å; Q484-R488 WeakPolarHBondContact O-CG 3.48Å; Q484-R488 PolarHBondContact O-N 3.45Å; Q485-R488 PolarHBondContact O-N 3.04Å; L486-R488 PolarHBondContact O-N 2.92Å; R488-L490 VanDerWaalsContact C-N 3.3Å; R488-L490 PolarHBondContact O-N 3.07Å; R488-L491 WeakPolarHBondContact O-CB 3.5Å; R488-L491 PolarHBondContact O-N 3.18Å; R488-L491 VanDerWaalsContact O-N 3.15Å; R488-L492 WeakPolarHBondContact O-CG 3.18Å; R488-L492 PolarHBondContact O-N 3.38Å; R488-M512 HydrophobicContact CB-CE 3.93Å; R488-M512 HydrophobicContact CG-CE 3.87Å; R488-E521 IonicContact CZ-OE1 2.64Å; R488-E521 IonicContact CZ-OE2 3.97Å; R488-E521 IonicContact NE-OE1 3.78Å; R488-E521 PolarHBondContact NE-OE1 3.02Å; R488-E521 IonicContact NE-OE2 3.48Å; R488-E521 PolarHBondContact NE-OE2 3.25Å; R488-E521 IonicContact NH2-OE1 2.63Å; R488-E521 PolarHBondContact NH2-OE1 3.32Å; R488-E521 IonicContact NH2-OE2 3.49Å; R488-E521 PolarHBondContact NH2-OE2 3.09Å |
| 489 | H | 91.2 | Very high | 85.6 | Confident | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -32.4 | 178.1 | -71.2 | 174.1 | 0 | 0 | 0 | 113.2 | Y430 Q485 L486 I487 N493 E521 F525 | Y430-H489 AromaticContact CE1-CE1 3.78Å; Y430-H489 AromaticContact CE1-ND1 3.22Å; Y430-H489 WeakPolarHBondContact CE1-ND1 3.29Å; Y430-H489 AromaticContact CZ-ND1 3.33Å; Y430-H489 VanDerWaalsContact CZ-ND1 3.33Å; Y430-H489 PolarHBondContact OH-ND1 3.48Å; Q485-H489 PolarHBondContact O-N 3.05Å; L486-H489 PolarHBondContact O-N 3.24Å; I487-H489 PolarHBondContact O-N 2.85Å; H489-N493 WeakPolarHBondContact O-CB 3.42Å; H489-N493 PolarHBondContact O-N 3.42Å; H489-N493 PolarHBondContact O-ND2 3.22Å; H489-E521 IonicContact CD2-OE1 2.89Å; H489-E521 IonicContact NE2-OE1 3.72Å; H489-F525 HydrophobicContact CB-CD2 4.29Å; H489-F525 HydrophobicContact CB-CE2 4.27Å; H489-F525 AromaticContact CD2-CD2 3.79Å |
| 490 | L | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 172 | -72.2 | 174.3 | 0 | 0 | 0 | 112.1 | A408 L426 V446 L450 L486 I487 R488 N493 F494 | A408-L490 HydrophobicContact CB-CD2 4.06Å; L426-L490 HydrophobicContact CD1-CD2 4.23Å; V446-L490 HydrophobicContact CG1-CD1 3.55Å; L450-L490 HydrophobicContact CD1-CD1 4.31Å; L450-L490 HydrophobicContact CD2-CD1 4.07Å; L450-L490 HydrophobicContact CD2-CD2 4.07Å; L450-L490 HydrophobicContact CG-CD1 4.04Å; L486-L490 HydrophobicContact CD1-CD1 3.99Å; L486-L490 HydrophobicContact CD1-CG 4.01Å; L486-L490 HydrophobicContact CG-CD1 4.28Å; L486-L490 WeakPolarHBondContact O-CG 3.46Å; L486-L490 PolarHBondContact O-N 2.89Å; I487-L490 PolarHBondContact O-N 2.88Å; R488-L490 VanDerWaalsContact C-N 3.3Å; R488-L490 PolarHBondContact O-N 3.07Å; L490-N493 PolarHBondContact O-N 3.27Å; L490-F494 WeakPolarHBondContact O-CB 3.4Å; L490-F494 PolarHBondContact O-N 2.88Å |
| 491 | L | 91.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 173.1 | -67.3 | 167.3 | 0 | 0 | 0 | 110.9 | L453 L467 A471 I487 R488 N493 F494 L495 | L453-L491 HydrophobicContact CD1-CD2 4.26Å; L453-L491 HydrophobicContact CD2-CD2 3.73Å; L467-L491 HydrophobicContact CD2-CD2 4.14Å; A471-L491 HydrophobicContact CB-CD1 3.51Å; I487-L491 HydrophobicContact CG2-CD1 4.07Å; I487-L491 HydrophobicContact CG2-CG 4.48Å; I487-L491 VanDerWaalsContact O-CG 3.31Å; I487-L491 WeakPolarHBondContact O-CG 3.46Å; I487-L491 PolarHBondContact O-N 3.08Å; R488-L491 WeakPolarHBondContact O-CB 3.5Å; R488-L491 PolarHBondContact O-N 3.18Å; R488-L491 VanDerWaalsContact O-N 3.15Å; L491-N493 VanDerWaalsContact C-N 3.34Å; L491-N493 PolarHBondContact O-N 3.43Å; L491-F494 WeakPolarHBondContact O-CA 3.26Å; L491-F494 WeakPolarHBondContact O-CB 3.47Å; L491-F494 PolarHBondContact O-N 2.76Å; L491-F494 VanDerWaalsContact O-N 3.08Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 3.14Å |
| 492 | L | 91.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 178.2 | -65.5 | 172.2 | 0 | 0 | 0 | 111.7 | R488 F494 L495 L496 I509 M512 I522 F525 | R488-L492 WeakPolarHBondContact O-CG 3.18Å; R488-L492 PolarHBondContact O-N 3.38Å; L492-F494 VanDerWaalsContact C-N 3.34Å; L492-F494 PolarHBondContact O-N 2.96Å; L492-L495 HydrophobicContact CD2-CD1 4.44Å; L492-L495 PolarHBondContact O-N 3.16Å; L492-L496 WeakPolarHBondContact O-CG 3.22Å; L492-L496 PolarHBondContact O-N 3.36Å; L492-L496 VanDerWaalsContact O-N 3.1Å; L492-I509 HydrophobicContact CD2-CD1 4.31Å; L492-I509 HydrophobicContact CD2-CG1 4.08Å; L492-M512 HydrophobicContact CD2-CE 4.23Å; L492-M512 HydrophobicContact CG-CE 4.3Å; L492-I522 HydrophobicContact CD1-CB 4.5Å; L492-I522 HydrophobicContact CD1-CG1 4.1Å; L492-I522 HydrophobicContact CD1-CG2 4.39Å; L492-I522 HydrophobicContact CD2-CG1 4.35Å; L492-I522 HydrophobicContact CD2-CG2 4.06Å; L492-F525 HydrophobicContact CB-CD1 3.63Å; L492-F525 HydrophobicContact CB-CE1 3.34Å; L492-F525 HydrophobicContact CB-CE2 4.25Å; L492-F525 HydrophobicContact CB-CG 4.23Å; L492-F525 HydrophobicContact CB-CZ 3.68Å; L492-F525 HydrophobicContact CD1-CB 3.91Å; L492-F525 HydrophobicContact CD1-CD1 3.58Å; L492-F525 HydrophobicContact CD1-CD2 4.2Å; L492-F525 HydrophobicContact CD1-CE1 4.2Å; L492-F525 HydrophobicContact CD1-CG 3.6Å; L492-F525 HydrophobicContact CG-CD1 4.18Å; L492-F525 HydrophobicContact CG-CE1 4.36Å |
| 493 | N | 90.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 172.4 | -84 | -69.9 | 0 | 0 | 0 | 111.8 | L412 H489 L490 L491 L495 L496 W497 F525 | L412-N493 HydrophobicContact CD1-CB 3.32Å; H489-N493 WeakPolarHBondContact O-CB 3.42Å; H489-N493 PolarHBondContact O-N 3.42Å; H489-N493 PolarHBondContact O-ND2 3.22Å; L490-N493 PolarHBondContact O-N 3.27Å; L491-N493 VanDerWaalsContact C-N 3.34Å; L491-N493 PolarHBondContact O-N 3.43Å; N493-L495 VanDerWaalsContact C-N 3.33Å; N493-L495 PolarHBondContact O-N 3.44Å; N493-L496 PolarHBondContact O-N 3.18Å; N493-W497 WeakPolarHBondContact O-CB 3.39Å; N493-W497 PolarHBondContact O-N 3.24Å; N493-F525 HydrophobicContact CB-CZ 4.39Å; N493-F525 WeakPolarHBondContact ND2-CE2 3.45Å; N493-F525 WeakPolarHBondContact ND2-CZ 3.39Å |
| 494 | F | 90.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 22 Ų | 22 | 2% | 0.022 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 176.3 | 174 | -91.2 | 0 | 0 | 0 | 111.6 | L412 L453 M456 L462 L467 L490 L491 L492 L496 W497 A498 | L412-F494 HydrophobicContact CD1-CB 4.38Å; L412-F494 HydrophobicContact CD2-CB 4.21Å; L412-F494 HydrophobicContact CD2-CD2 4.37Å; L453-F494 HydrophobicContact CB-CD2 3.97Å; L453-F494 HydrophobicContact CB-CE2 4.29Å; L453-F494 HydrophobicContact CD1-CB 4.32Å; L453-F494 HydrophobicContact CD2-CB 4.48Å; L453-F494 HydrophobicContact CD2-CD1 4.28Å; L453-F494 HydrophobicContact CD2-CD2 4.26Å; L453-F494 HydrophobicContact CD2-CG 4.09Å; L453-F494 VanDerWaalsContact O-CE2 3.27Å; L453-F494 WeakPolarHBondContact O-CE2 3.48Å; M456-F494 HydrophobicContact CB-CZ 4.39Å; L462-F494 HydrophobicContact CD1-CZ 4.37Å; L462-F494 HydrophobicContact CD2-CZ 4.44Å; L467-F494 HydrophobicContact CD1-CD1 4.21Å; L467-F494 HydrophobicContact CD1-CE1 4.11Å; L467-F494 HydrophobicContact CD2-CD1 4.35Å; L467-F494 HydrophobicContact CD2-CE1 4.15Å; L490-F494 WeakPolarHBondContact O-CB 3.4Å; L490-F494 PolarHBondContact O-N 2.88Å; L491-F494 WeakPolarHBondContact O-CA 3.26Å; L491-F494 WeakPolarHBondContact O-CB 3.47Å; L491-F494 PolarHBondContact O-N 2.76Å; L491-F494 VanDerWaalsContact O-N 3.08Å; L492-F494 VanDerWaalsContact C-N 3.34Å; L492-F494 PolarHBondContact O-N 2.96Å; F494-L496 PolarHBondContact O-N 3.37Å; F494-W497 PolarHBondContact O-N 3.46Å; F494-A498 HydrophobicContact CD1-CB 4.44Å; F494-A498 HydrophobicContact CD2-CB 3.79Å; F494-A498 HydrophobicContact CE1-CB 4.23Å; F494-A498 HydrophobicContact CE2-CB 3.58Å; F494-A498 HydrophobicContact CG-CB 4.24Å; F494-A498 HydrophobicContact CZ-CB 3.81Å; F494-A498 VanDerWaalsContact O-CB 3.25Å; F494-A498 WeakPolarHBondContact O-CB 3.28Å; F494-A498 PolarHBondContact O-N 3.26Å |
| 495 | L | 90.5 | Very high | 88 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -35.1 | 177 | -67 | 178.5 | 0 | 0 | 0 | 112.4 | L467 L491 L492 N493 G501 H502 I504 A505 V508 I509 | L467-L495 HydrophobicContact CD1-CD2 3.85Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 3.14Å; L492-L495 HydrophobicContact CD2-CD1 4.44Å; L492-L495 PolarHBondContact O-N 3.16Å; N493-L495 VanDerWaalsContact C-N 3.33Å; N493-L495 PolarHBondContact O-N 3.44Å; L495-G501 CarbonylContact O-C 3.44Å; L495-H502 PolarHBondContact O-CD2 3.22Å; L495-H502 PolarHBondContact O-N 3.48Å; L495-I504 HydrophobicContact CD2-CG1 4.2Å; L495-A505 HydrophobicContact CB-CB 4.13Å; L495-A505 HydrophobicContact CD1-CB 4.39Å; L495-A505 HydrophobicContact CD2-CB 4.38Å; L495-V508 HydrophobicContact CD1-CB 3.96Å; L495-V508 HydrophobicContact CD1-CG1 3.79Å; L495-V508 HydrophobicContact CD2-CB 4.21Å; L495-V508 HydrophobicContact CD2-CG1 4.35Å; L495-V508 HydrophobicContact CD2-CG2 4.17Å; L495-I509 HydrophobicContact CD1-CD1 4.33Å; L495-I509 HydrophobicContact CD1-CG1 4.06Å |
| 496 | L | 88.5 | Confident | 88.1 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -84.2 | -26.7 | 179.8 | -67.8 | -176.8 | 0 | 0 | 0 | 114 | L492 N493 F494 H502 F525 L526 T529 W533 S543 L546 A547 | L492-L496 WeakPolarHBondContact O-CG 3.22Å; L492-L496 PolarHBondContact O-N 3.36Å; L492-L496 VanDerWaalsContact O-N 3.1Å; N493-L496 PolarHBondContact O-N 3.18Å; F494-L496 PolarHBondContact O-N 3.37Å; L496-H502 PolarHBondContact O-NE2 3.08Å; L496-F525 HydrophobicContact CD1-CE1 3.84Å; L496-L526 HydrophobicContact CD1-CD2 4.07Å; L496-L526 HydrophobicContact CD2-CD2 4.39Å; L496-T529 HydrophobicContact CD1-CG2 3.89Å; L496-W533 HydrophobicContact CB-CH2 4.21Å; L496-W533 HydrophobicContact CD1-CH2 4.06Å; L496-W533 HydrophobicContact CD1-CZ2 4.49Å; L496-S543 WeakPolarHBondContact O-CB 3.5Å; L496-S543 PolarHBondContact O-OG 2.94Å; L496-L546 HydrophobicContact CD2-CD2 4.29Å; L496-L546 HydrophobicContact CD2-CG 4.47Å; L496-A547 HydrophobicContact CD1-CB 4.46Å; L496-A547 HydrophobicContact CD2-CB 3.93Å |
| 497 | W | 83.6 | Confident | 88 | Confident | 51 Ų | 51 | 28.3 Ų | 28.3 | 19% | 0.193 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -106.7 | -33 | -172.9 | -72.8 | 112.8 | 0 | 0 | 0 | 114.5 | E409 N493 F494 W533 I538 | E409-W497 HydrophobicContact CG-CZ2 4.44Å; E409-W497 VanDerWaalsContact OE1-CZ2 3.24Å; E409-W497 WeakPolarHBondContact OE1-CZ2 3.3Å; E409-W497 PolarHBondContact OE1-NE1 3.5Å; N493-W497 WeakPolarHBondContact O-CB 3.39Å; N493-W497 PolarHBondContact O-N 3.24Å; F494-W497 PolarHBondContact O-N 3.46Å; W497-W533 AromaticContact CE2-CZ2 3.67Å; W497-W533 HydrophobicContact CH2-CZ2 4.06Å; W497-W533 AromaticContact CZ2-CE2 3.55Å; W497-W533 AromaticContact CZ2-CZ2 3.42Å; W497-W533 HydrophobicContact CZ2-CZ2 3.42Å; W497-W533 VanDerWaalsContact CZ2-CZ2 3.42Å; W497-W533 AromaticContact CZ2-NE1 3.37Å; W497-W533 AromaticContact NE1-CZ2 3.95Å; W497-I538 HydrophobicContact CH2-CG2 3.86Å |
| 498 | A | 84.1 | Confident | 87.9 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -80.8 | 129.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | F494 G500 G501 H502 | F494-A498 HydrophobicContact CD1-CB 4.44Å; F494-A498 HydrophobicContact CD2-CB 3.79Å; F494-A498 HydrophobicContact CE1-CB 4.23Å; F494-A498 HydrophobicContact CE2-CB 3.58Å; F494-A498 HydrophobicContact CG-CB 4.24Å; F494-A498 HydrophobicContact CZ-CB 3.81Å; F494-A498 VanDerWaalsContact O-CB 3.25Å; F494-A498 WeakPolarHBondContact O-CB 3.28Å; F494-A498 PolarHBondContact O-N 3.26Å; A498-G500 PolarHBondContact O-N 3.18Å; A498-G500 VanDerWaalsContact O-N 3.16Å; A498-G501 WeakPolarHBondContact O-CA 3.2Å; A498-G501 PolarHBondContact O-N 3.13Å; A498-H502 PolarHBondContact O-N 2.79Å |
| 499 | P | 80.9 | Confident | 87.8 | Confident | 104 Ų | 104 | 28 Ų | 28 | 68% | 0.675 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -55.5 | -35.6 | 178.4 | -27.8 | 35 | 0 | 0 | 0 | 114 | ||
| 500 | G | 80.7 | Confident | 87.6 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 25% | 0.247 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -79 | -16.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A498 T503 | A498-G500 PolarHBondContact O-N 3.18Å; A498-G500 VanDerWaalsContact O-N 3.16Å; G500-T503 PolarHBondContact O-OG1 3.05Å |
| 501 | G | 85.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.9 | -38.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L495 A498 T503 I504 A505 | L495-G501 CarbonylContact O-C 3.44Å; A498-G501 WeakPolarHBondContact O-CA 3.2Å; A498-G501 PolarHBondContact O-N 3.13Å; G501-T503 PolarHBondContact O-N 3.19Å; G501-I504 PolarHBondContact O-N 3.18Å; G501-I504 VanDerWaalsContact O-N 3.15Å; G501-A505 PolarHBondContact O-N 2.79Å |
| 502 | H | 85.7 | Confident | 87.1 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 20% | 0.199 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.4 | -36.8 | 179.5 | -62.9 | 156.5 | 0 | 0 | 0 | 113.1 | L495 L496 A498 I504 S543 L546 | L495-H502 PolarHBondContact O-CD2 3.22Å; L495-H502 PolarHBondContact O-N 3.48Å; L496-H502 PolarHBondContact O-NE2 3.08Å; A498-H502 PolarHBondContact O-N 2.79Å; H502-I504 VanDerWaalsContact C-N 3.33Å; H502-I504 PolarHBondContact O-N 3.21Å; H502-S543 PolarHBondContact NE2-OG 2.83Å; H502-L546 HydrophobicContact CB-CD2 4.09Å |
| 503 | T | 85.3 | Confident | 86.9 | Confident | 112 Ų | 112 | 36 Ų | 36 | 69% | 0.687 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.3 | -175.7 | 51 | 0 | 0 | 0 | 0 | 113.8 | G500 G501 | G500-T503 PolarHBondContact O-OG1 3.05Å; G501-T503 PolarHBondContact O-N 3.19Å |
| 504 | I | 89.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 1.5 | -177.5 | 61.4 | 170.5 | 0 | 0 | 0 | 113.1 | L462 L467 L495 G501 H502 W506 D507 V508 | L462-I504 HydrophobicContact CB-CD1 3.94Å; L462-I504 VanDerWaalsContact O-CG2 3.32Å; L462-I504 WeakPolarHBondContact O-CG2 3.46Å; L467-I504 HydrophobicContact CD1-CD1 3.54Å; L467-I504 HydrophobicContact CD1-CG1 4.47Å; L467-I504 HydrophobicContact CG-CD1 4.25Å; L495-I504 HydrophobicContact CD2-CG1 4.2Å; G501-I504 PolarHBondContact O-N 3.18Å; G501-I504 VanDerWaalsContact O-N 3.15Å; H502-I504 VanDerWaalsContact C-N 3.33Å; H502-I504 PolarHBondContact O-N 3.21Å; I504-W506 VanDerWaalsContact C-N 3.26Å; I504-W506 PolarHBondContact O-N 3.29Å; I504-D507 PolarHBondContact O-N 3.49Å; I504-D507 VanDerWaalsContact O-N 3.16Å; I504-V508 HydrophobicContact CB-CG2 4.33Å; I504-V508 HydrophobicContact CD1-CG2 4.06Å; I504-V508 HydrophobicContact CG1-CG2 4.14Å; I504-V508 VanDerWaalsContact O-CG2 3.28Å; I504-V508 WeakPolarHBondContact O-CG2 3.44Å; I504-V508 PolarHBondContact O-N 2.92Å |
| 505 | A | 90.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.6 | -41.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L495 G501 I509 L546 L550 | L495-A505 HydrophobicContact CB-CB 4.13Å; L495-A505 HydrophobicContact CD1-CB 4.39Å; L495-A505 HydrophobicContact CD2-CB 4.38Å; G501-A505 PolarHBondContact O-N 2.79Å; A505-I509 VanDerWaalsContact O-CB 3.29Å; A505-I509 WeakPolarHBondContact O-CB 3.33Å; A505-I509 VanDerWaalsContact O-CG1 3.29Å; A505-I509 WeakPolarHBondContact O-CG1 3.5Å; A505-I509 PolarHBondContact O-N 2.9Å; A505-L546 HydrophobicContact CB-CD1 4.3Å; A505-L546 HydrophobicContact CB-CD2 3.91Å; A505-L550 HydrophobicContact CB-CD1 4.38Å |
| 506 | W | 89 | Confident | 86.1 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -51.1 | 176.5 | -79 | 107.7 | 0 | 0 | 0 | 113 | I504 V508 I509 T510 E549 L550 E553 | I504-W506 VanDerWaalsContact C-N 3.26Å; I504-W506 PolarHBondContact O-N 3.29Å; W506-V508 VanDerWaalsContact C-N 3.32Å; W506-V508 PolarHBondContact O-N 2.9Å; W506-I509 PolarHBondContact O-N 3.31Å; W506-T510 WeakPolarHBondContact O-CB 3.34Å; W506-T510 PolarHBondContact O-N 3.27Å; W506-T510 PolarHBondContact O-OG1 3.45Å; W506-E549 HydrophobicContact CZ2-CB 4.09Å; W506-L550 HydrophobicContact CD2-CD2 3.54Å; W506-L550 HydrophobicContact CE3-CD2 3.56Å; W506-L550 HydrophobicContact CG-CD2 4.18Å; W506-L550 HydrophobicContact CH2-CD2 3.87Å; W506-L550 HydrophobicContact CH2-CG 4.47Å; W506-L550 HydrophobicContact CZ2-CD2 3.87Å; W506-L550 HydrophobicContact CZ2-CG 4.3Å; W506-L550 HydrophobicContact CZ3-CD2 3.71Å; W506-E553 HydrophobicContact CH2-CB 3.45Å; W506-E553 VanDerWaalsContact CH2-CB 3.45Å; W506-E553 HydrophobicContact CH2-CG 3.91Å; W506-E553 HydrophobicContact CZ3-CB 3.6Å; W506-E553 HydrophobicContact CZ3-CG 3.63Å |
| 507 | D | 88.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | -178.4 | -63.5 | -23.3 | 0 | 0 | 0 | 110.6 | A464 I504 T510 L511 | A464-D507 HydrophobicContact CB-CB 3.74Å; I504-D507 PolarHBondContact O-N 3.49Å; I504-D507 VanDerWaalsContact O-N 3.16Å; D507-T510 PolarHBondContact O-N 3.37Å; D507-L511 WeakPolarHBondContact O-CB 3.42Å; D507-L511 WeakPolarHBondContact O-CD1 3.34Å; D507-L511 WeakPolarHBondContact O-CG 3.2Å; D507-L511 PolarHBondContact O-N 2.86Å |
| 508 | V | 88.8 | Confident | 86 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -44.1 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | A464 L467 L495 I504 W506 L511 M512 | A464-V508 HydrophobicContact CB-CG2 3.64Å; L467-V508 HydrophobicContact CB-CG2 4.48Å; L467-V508 HydrophobicContact CD1-CG1 4.46Å; L467-V508 HydrophobicContact CD1-CG2 3.88Å; L495-V508 HydrophobicContact CD1-CB 3.96Å; L495-V508 HydrophobicContact CD1-CG1 3.79Å; L495-V508 HydrophobicContact CD2-CB 4.21Å; L495-V508 HydrophobicContact CD2-CG1 4.35Å; L495-V508 HydrophobicContact CD2-CG2 4.17Å; I504-V508 HydrophobicContact CB-CG2 4.33Å; I504-V508 HydrophobicContact CD1-CG2 4.06Å; I504-V508 HydrophobicContact CG1-CG2 4.14Å; I504-V508 VanDerWaalsContact O-CG2 3.28Å; I504-V508 WeakPolarHBondContact O-CG2 3.44Å; I504-V508 PolarHBondContact O-N 2.92Å; W506-V508 VanDerWaalsContact C-N 3.32Å; W506-V508 PolarHBondContact O-N 2.9Å; V508-L511 PolarHBondContact O-N 2.95Å; V508-M512 HydrophobicContact CG1-CG 4.33Å; V508-M512 HydrophobicContact CG1-SD 3.73Å; V508-M512 WeakPolarHBondContact O-CB 3.44Å; V508-M512 VanDerWaalsContact O-CG 3.27Å; V508-M512 WeakPolarHBondContact O-CG 3.22Å; V508-M512 PolarHBondContact O-N 3.42Å |
| 509 | I | 89.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.5 | -75.6 | 168.5 | 0 | 0 | 0 | 111 | L492 L495 A505 W506 L511 M512 A513 I522 L550 L554 | L492-I509 HydrophobicContact CD2-CD1 4.31Å; L492-I509 HydrophobicContact CD2-CG1 4.08Å; L495-I509 HydrophobicContact CD1-CD1 4.33Å; L495-I509 HydrophobicContact CD1-CG1 4.06Å; A505-I509 VanDerWaalsContact O-CB 3.29Å; A505-I509 WeakPolarHBondContact O-CB 3.33Å; A505-I509 VanDerWaalsContact O-CG1 3.29Å; A505-I509 WeakPolarHBondContact O-CG1 3.5Å; A505-I509 PolarHBondContact O-N 2.9Å; W506-I509 PolarHBondContact O-N 3.31Å; I509-L511 PolarHBondContact O-N 3.08Å; I509-M512 PolarHBondContact O-N 3.12Å; I509-M512 VanDerWaalsContact O-N 3.12Å; I509-A513 WeakPolarHBondContact O-CB 3.26Å; I509-A513 PolarHBondContact O-N 3.5Å; I509-I522 HydrophobicContact CG2-CG2 4.44Å; I509-L550 HydrophobicContact CD1-CB 4.5Å; I509-L550 HydrophobicContact CD1-CD1 3.43Å; I509-L550 VanDerWaalsContact CD1-CD1 3.43Å; I509-L550 HydrophobicContact CD1-CD2 3.6Å; I509-L550 HydrophobicContact CD1-CG 4.03Å; I509-L554 HydrophobicContact CG2-CD1 4Å; I509-L554 HydrophobicContact CG2-CD2 3.84Å; I509-L554 HydrophobicContact CG2-CG 4.33Å |
| 510 | T | 86.9 | Confident | 86.6 | Confident | 96 Ų | 96 | 46 Ų | 46 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 176 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | W506 D507 | W506-T510 WeakPolarHBondContact O-CB 3.34Å; W506-T510 PolarHBondContact O-N 3.27Å; W506-T510 PolarHBondContact O-OG1 3.45Å; D507-T510 PolarHBondContact O-N 3.37Å |
| 511 | L | 85.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72 | -34.6 | 175.6 | -73.9 | 169.9 | 0 | 0 | 0 | 113.1 | A464 Q468 D507 V508 I509 | A464-L511 HydrophobicContact CB-CD1 3.78Å; Q468-L511 HydrophobicContact CG-CD1 4.35Å; D507-L511 WeakPolarHBondContact O-CB 3.42Å; D507-L511 WeakPolarHBondContact O-CD1 3.34Å; D507-L511 WeakPolarHBondContact O-CG 3.2Å; D507-L511 PolarHBondContact O-N 2.86Å; V508-L511 PolarHBondContact O-N 2.95Å; I509-L511 PolarHBondContact O-N 3.08Å |
| 512 | M | 86.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77 | -39.4 | 179.3 | -74.4 | 175.4 | 58.5 | 0 | 0 | 112.7 | R488 L492 V508 I509 H514 I518 I522 | R488-M512 HydrophobicContact CB-CE 3.93Å; R488-M512 HydrophobicContact CG-CE 3.87Å; L492-M512 HydrophobicContact CD2-CE 4.23Å; L492-M512 HydrophobicContact CG-CE 4.3Å; V508-M512 HydrophobicContact CG1-CG 4.33Å; V508-M512 HydrophobicContact CG1-SD 3.73Å; V508-M512 WeakPolarHBondContact O-CB 3.44Å; V508-M512 VanDerWaalsContact O-CG 3.27Å; V508-M512 WeakPolarHBondContact O-CG 3.22Å; V508-M512 PolarHBondContact O-N 3.42Å; I509-M512 PolarHBondContact O-N 3.12Å; I509-M512 VanDerWaalsContact O-N 3.12Å; M512-H514 PolarHBondContact O-N 3.37Å; M512-H514 PolarHBondContact O-ND1 2.82Å; M512-I518 WeakPolarHBondContact O-CG2 3.31Å; M512-I522 HydrophobicContact CB-CD1 4.12Å |
| 513 | A | 86 | Confident | 87.4 | Confident | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | trans | -77.9 | 49.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I509 I522 L554 | I509-A513 WeakPolarHBondContact O-CB 3.26Å; I509-A513 PolarHBondContact O-N 3.5Å; A513-I522 HydrophobicContact CB-CD1 4.03Å; A513-L554 HydrophobicContact CB-CD2 4.28Å | ||
| 514 | H | 83.8 | Confident | 87.6 | Confident | 107 Ų | 107 | 39.4 Ų | 39.4 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | trans | -86.9 | -11.3 | -175.1 | 65.3 | -80.7 | 0 | 0 | 0 | 114 | M512 I518 | M512-H514 PolarHBondContact O-N 3.37Å; M512-H514 PolarHBondContact O-ND1 2.82Å; H514-I518 WeakPolarHBondContact CE1-CD1 3.44Å | ||
| 515 | T | 85.5 | Confident | 87.7 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 31% | 0.307 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -128.6 | 150.5 | 172.9 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | E517 I518 T519 | T515-E517 PolarHBondContact O-N 3.16Å; T515-I518 PolarHBondContact O-N 2.98Å; T515-I518 WeakPolarHBondContact OG1-CD1 3.48Å; T515-I518 WeakPolarHBondContact OG1-CG1 3.46Å; T515-I518 PolarHBondContact OG1-N 2.9Å; T515-T519 PolarHBondContact O-N 3.43Å; T515-T519 PolarHBondContact O-OG1 2.96Å |
| 516 | A | 85.3 | Confident | 87.7 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 55% | 0.554 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -55.2 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T519 H520 | A516-T519 PolarHBondContact O-N 3.39Å; A516-H520 PolarHBondContact O-N 3.06Å; A516-H520 PolarHBondContact O-ND1 2.96Å |
| 517 | E | 84.2 | Confident | 87.7 | Confident | 115 Ų | 115 | 35.9 Ų | 35.9 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 178.5 | -63.8 | -178.6 | -175.6 | 0 | 0 | 112 | R480 T515 H520 E521 | R480-E517 IonicContact CZ-OE2 3.54Å; R480-E517 IonicContact NE-OE2 2.89Å; R480-E517 PolarHBondContact NE-OE2 3.29Å; R480-E517 IonicContact NH2-OE1 2.68Å; R480-E517 PolarHBondContact NH2-OE1 3.09Å; R480-E517 IonicContact NH2-OE2 2.83Å; R480-E517 PolarHBondContact NH2-OE2 2.82Å; T515-E517 PolarHBondContact O-N 3.16Å; E517-H520 PolarHBondContact O-N 2.7Å; E517-E521 PolarHBondContact O-N 3.23Å |
| 518 | I | 86.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 178.7 | -65.4 | 169 | 0 | 0 | 0 | 110.7 | L479 M512 H514 T515 H520 E521 I522 | L479-I518 HydrophobicContact CD1-CD1 4.34Å; M512-I518 WeakPolarHBondContact O-CG2 3.31Å; H514-I518 WeakPolarHBondContact CE1-CD1 3.44Å; T515-I518 PolarHBondContact O-N 2.98Å; T515-I518 WeakPolarHBondContact OG1-CD1 3.48Å; T515-I518 WeakPolarHBondContact OG1-CG1 3.46Å; T515-I518 PolarHBondContact OG1-N 2.9Å; I518-H520 VanDerWaalsContact C-N 3.31Å; I518-H520 PolarHBondContact O-N 3.29Å; I518-E521 WeakPolarHBondContact O-CB 3.32Å; I518-E521 PolarHBondContact O-N 3.37Å; I518-I522 HydrophobicContact CG2-CD1 3.84Å; I518-I522 HydrophobicContact CG2-CG1 4.26Å; I518-I522 VanDerWaalsContact O-CG1 3.28Å; I518-I522 WeakPolarHBondContact O-CG1 3.49Å; I518-I522 PolarHBondContact O-N 3.44Å |
| 519 | T | 88.4 | Confident | 87.8 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | T515 A516 I522 I523 L554 V558 | T515-T519 PolarHBondContact O-N 3.43Å; T515-T519 PolarHBondContact O-OG1 2.96Å; A516-T519 PolarHBondContact O-N 3.39Å; T519-I522 PolarHBondContact O-N 2.98Å; T519-I523 HydrophobicContact CG2-CD1 4.07Å; T519-I523 VanDerWaalsContact O-CG1 3.25Å; T519-I523 WeakPolarHBondContact O-CG1 3.36Å; T519-I523 PolarHBondContact O-N 3.09Å; T519-L554 HydrophobicContact CG2-CD2 4.19Å; T519-V558 HydrophobicContact CG2-CG2 3.47Å; T519-V558 VanDerWaalsContact CG2-CG2 3.47Å |
| 520 | H | 87.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 175 | -75.2 | 82.7 | 0 | 0 | 0 | 112.2 | N267 A516 E517 I518 I522 I523 G524 V558 | N267-H520 PolarHBondContact ND2-O 2.92Å; A516-H520 PolarHBondContact O-N 3.06Å; A516-H520 PolarHBondContact O-ND1 2.96Å; E517-H520 PolarHBondContact O-N 2.7Å; I518-H520 VanDerWaalsContact C-N 3.31Å; I518-H520 PolarHBondContact O-N 3.29Å; H520-I522 PolarHBondContact O-N 3.26Å; H520-I523 PolarHBondContact O-N 3.28Å; H520-G524 PolarHBondContact O-N 2.99Å; H520-V558 WeakPolarHBondContact CE1-CG1 3.27Å |
| 521 | E | 88 | Confident | 87.8 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 174.2 | -176.2 | -171.6 | 136.2 | 0 | 0 | 111.1 | L309 R488 H489 E517 I518 G524 F525 | L309-E521 HydrophobicContact CD1-CB 4.47Å; L309-E521 HydrophobicContact CD1-CG 4.19Å; R488-E521 IonicContact CZ-OE1 2.64Å; R488-E521 IonicContact CZ-OE2 3.97Å; R488-E521 IonicContact NE-OE1 3.78Å; R488-E521 PolarHBondContact NE-OE1 3.02Å; R488-E521 IonicContact NE-OE2 3.48Å; R488-E521 PolarHBondContact NE-OE2 3.25Å; R488-E521 IonicContact NH2-OE1 2.63Å; R488-E521 PolarHBondContact NH2-OE1 3.32Å; R488-E521 IonicContact NH2-OE2 3.49Å; R488-E521 PolarHBondContact NH2-OE2 3.09Å; H489-E521 IonicContact CD2-OE1 2.89Å; H489-E521 IonicContact NE2-OE1 3.72Å; E517-E521 PolarHBondContact O-N 3.23Å; I518-E521 WeakPolarHBondContact O-CB 3.32Å; I518-E521 PolarHBondContact O-N 3.37Å; E521-G524 PolarHBondContact O-N 2.8Å; E521-F525 WeakPolarHBondContact O-CB 3.18Å; E521-F525 PolarHBondContact O-N 2.86Å |
| 522 | I | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 178.7 | -63 | 165.7 | 0 | 0 | 0 | 111 | L492 I509 M512 A513 I518 T519 H520 G524 F525 L526 L554 | L492-I522 HydrophobicContact CD1-CB 4.5Å; L492-I522 HydrophobicContact CD1-CG1 4.1Å; L492-I522 HydrophobicContact CD1-CG2 4.39Å; L492-I522 HydrophobicContact CD2-CG1 4.35Å; L492-I522 HydrophobicContact CD2-CG2 4.06Å; I509-I522 HydrophobicContact CG2-CG2 4.44Å; M512-I522 HydrophobicContact CB-CD1 4.12Å; A513-I522 HydrophobicContact CB-CD1 4.03Å; I518-I522 HydrophobicContact CG2-CD1 3.84Å; I518-I522 HydrophobicContact CG2-CG1 4.26Å; I518-I522 VanDerWaalsContact O-CG1 3.28Å; I518-I522 WeakPolarHBondContact O-CG1 3.49Å; I518-I522 PolarHBondContact O-N 3.44Å; T519-I522 PolarHBondContact O-N 2.98Å; H520-I522 PolarHBondContact O-N 3.26Å; I522-G524 VanDerWaalsContact C-N 3.33Å; I522-G524 PolarHBondContact O-N 3.4Å; I522-F525 PolarHBondContact O-N 3.09Å; I522-L526 HydrophobicContact CG2-CD1 4.09Å; I522-L526 HydrophobicContact CG2-CG 4.36Å; I522-L526 WeakPolarHBondContact O-CG 3.49Å; I522-L526 PolarHBondContact O-N 3.15Å; I522-L554 HydrophobicContact CB-CD1 4.3Å; I522-L554 HydrophobicContact CG2-CD1 3.51Å |
| 523 | I | 90.6 | Very high | 87.8 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -47.5 | 175.5 | -69.8 | 169.1 | 0 | 0 | 0 | 110 | N267 T519 H520 F525 L526 D527 L551 L554 R555 V558 | N267-I523 HydrophobicContact CB-CB 4.46Å; N267-I523 HydrophobicContact CB-CG2 3.67Å; T519-I523 HydrophobicContact CG2-CD1 4.07Å; T519-I523 VanDerWaalsContact O-CG1 3.25Å; T519-I523 WeakPolarHBondContact O-CG1 3.36Å; T519-I523 PolarHBondContact O-N 3.09Å; H520-I523 PolarHBondContact O-N 3.28Å; I523-F525 PolarHBondContact O-N 3.43Å; I523-L526 PolarHBondContact O-N 2.82Å; I523-D527 WeakPolarHBondContact O-CB 3.21Å; I523-D527 PolarHBondContact O-N 3.35Å; I523-L551 HydrophobicContact CB-CD1 4.3Å; I523-L551 HydrophobicContact CG2-CD1 3.7Å; I523-L554 HydrophobicContact CD1-CB 3.99Å; I523-L554 HydrophobicContact CG1-CB 3.65Å; I523-L554 HydrophobicContact CG1-CD1 4.32Å; I523-R555 HydrophobicContact CD1-CG 4.36Å; I523-R555 HydrophobicContact CG2-CG 4.4Å; I523-V558 HydrophobicContact CD1-CG2 4.02Å |
| 524 | G | 88.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H520 E521 I522 L526 D527 Q528 | H520-G524 PolarHBondContact O-N 2.99Å; E521-G524 PolarHBondContact O-N 2.8Å; I522-G524 VanDerWaalsContact C-N 3.33Å; I522-G524 PolarHBondContact O-N 3.4Å; G524-L526 PolarHBondContact O-N 3.23Å; G524-D527 PolarHBondContact O-N 2.86Å; G524-Q528 VanDerWaalsContact O-CB 3.23Å; G524-Q528 WeakPolarHBondContact O-CB 3.31Å; G524-Q528 PolarHBondContact O-N 2.9Å |
| 525 | F | 90.6 | Very high | 87.5 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 176.3 | 173.8 | -87.3 | 0 | 0 | 0 | 112.7 | H489 L492 N493 L496 E521 I522 I523 Q528 T529 | H489-F525 HydrophobicContact CB-CD2 4.29Å; H489-F525 HydrophobicContact CB-CE2 4.27Å; H489-F525 AromaticContact CD2-CD2 3.79Å; L492-F525 HydrophobicContact CB-CD1 3.63Å; L492-F525 HydrophobicContact CB-CE1 3.34Å; L492-F525 HydrophobicContact CB-CE2 4.25Å; L492-F525 HydrophobicContact CB-CG 4.23Å; L492-F525 HydrophobicContact CB-CZ 3.68Å; L492-F525 HydrophobicContact CD1-CB 3.91Å; L492-F525 HydrophobicContact CD1-CD1 3.58Å; L492-F525 HydrophobicContact CD1-CD2 4.2Å; L492-F525 HydrophobicContact CD1-CE1 4.2Å; L492-F525 HydrophobicContact CD1-CG 3.6Å; L492-F525 HydrophobicContact CG-CD1 4.18Å; L492-F525 HydrophobicContact CG-CE1 4.36Å; N493-F525 HydrophobicContact CB-CZ 4.39Å; N493-F525 WeakPolarHBondContact ND2-CE2 3.45Å; N493-F525 WeakPolarHBondContact ND2-CZ 3.39Å; L496-F525 HydrophobicContact CD1-CE1 3.84Å; E521-F525 WeakPolarHBondContact O-CB 3.18Å; E521-F525 PolarHBondContact O-N 2.86Å; I522-F525 PolarHBondContact O-N 3.09Å; I523-F525 PolarHBondContact O-N 3.43Å; F525-Q528 PolarHBondContact O-N 2.89Å; F525-T529 WeakPolarHBondContact O-CB 3.47Å; F525-T529 PolarHBondContact O-N 3.22Å; F525-T529 PolarHBondContact O-OG1 2.86Å |
| 526 | L | 91.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | -179 | -70.9 | 175.3 | 0 | 0 | 0 | 111.4 | L496 I522 I523 G524 T529 L530 A547 L550 L551 L554 | L496-L526 HydrophobicContact CD1-CD2 4.07Å; L496-L526 HydrophobicContact CD2-CD2 4.39Å; I522-L526 HydrophobicContact CG2-CD1 4.09Å; I522-L526 HydrophobicContact CG2-CG 4.36Å; I522-L526 WeakPolarHBondContact O-CG 3.49Å; I522-L526 PolarHBondContact O-N 3.15Å; I523-L526 PolarHBondContact O-N 2.82Å; G524-L526 PolarHBondContact O-N 3.23Å; L526-T529 PolarHBondContact O-N 3.18Å; L526-L530 WeakPolarHBondContact O-CB 3.34Å; L526-L530 WeakPolarHBondContact O-CG 3.22Å; L526-L530 PolarHBondContact O-N 3.37Å; L526-A547 HydrophobicContact CD2-CB 4.11Å; L526-L550 HydrophobicContact CD1-CB 3.77Å; L526-L551 HydrophobicContact CB-CD1 4.1Å; L526-L551 HydrophobicContact CD1-CB 4.36Å; L526-L554 HydrophobicContact CD1-CD1 3.84Å |
| 527 | D | 89.4 | Confident | 86.6 | Confident | 14 Ų | 14 | 25.7 Ų | 25.7 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.2 | -161.8 | 85.7 | 0 | 0 | 0 | 111.1 | N267 C268 L269 I523 G524 L530 Y531 L551 R555 | N267-D527 WeakPolarHBondContact O-CB 3.1Å; C268-D527 WeakPolarHBondContact CA-OD2 2.84Å; L269-D527 WeakPolarHBondContact CB-OD2 3Å; L269-D527 PolarHBondContact N-OD2 3.49Å; I523-D527 WeakPolarHBondContact O-CB 3.21Å; I523-D527 PolarHBondContact O-N 3.35Å; G524-D527 PolarHBondContact O-N 2.86Å; D527-L530 PolarHBondContact O-N 2.7Å; D527-Y531 WeakPolarHBondContact O-CB 3.2Å; D527-Y531 PolarHBondContact O-N 3.07Å; D527-L551 HydrophobicContact CB-CD1 4.48Å; D527-R555 IonicContact OD1-CZ 3.69Å; D527-R555 IonicContact OD1-NH2 3.96Å; D527-R555 PolarHBondContact OD1-NH2 3.15Å |
| 528 | Q | 88.6 | Confident | 86.2 | Confident | 38 Ų | 38 | 21.2 Ų | 21.2 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 173.6 | -177.3 | 162.3 | 10.6 | 0 | 0 | 113.5 | L269 E405 G524 F525 Y531 R532 | L269-Q528 VanDerWaalsContact CD1-CA 3.47Å; L269-Q528 HydrophobicContact CD1-CB 3.89Å; L269-Q528 HydrophobicContact CD1-CG 4.15Å; E405-Q528 WeakPolarHBondContact OE1-CG 3.5Å; E405-Q528 PolarHBondContact OE1-NE2 3.4Å; G524-Q528 VanDerWaalsContact O-CB 3.23Å; G524-Q528 WeakPolarHBondContact O-CB 3.31Å; G524-Q528 PolarHBondContact O-N 2.9Å; F525-Q528 PolarHBondContact O-N 2.89Å; Q528-Y531 PolarHBondContact O-N 2.91Å; Q528-R532 WeakPolarHBondContact O-CB 3.18Å; Q528-R532 PolarHBondContact O-N 3.35Å |
| 529 | T | 89 | Confident | 85.2 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | L496 F525 L526 Y531 R532 W533 | L496-T529 HydrophobicContact CD1-CG2 3.89Å; F525-T529 WeakPolarHBondContact O-CB 3.47Å; F525-T529 PolarHBondContact O-N 3.22Å; F525-T529 PolarHBondContact O-OG1 2.86Å; L526-T529 PolarHBondContact O-N 3.18Å; T529-Y531 PolarHBondContact O-N 2.71Å; T529-R532 PolarHBondContact O-N 3.39Å; T529-W533 HydrophobicContact CG2-CD2 3.88Å; T529-W533 HydrophobicContact CG2-CE3 4.27Å; T529-W533 HydrophobicContact CG2-CH2 3.72Å; T529-W533 HydrophobicContact CG2-CZ2 3.26Å; T529-W533 HydrophobicContact CG2-CZ3 4.18Å; T529-W533 VanDerWaalsContact O-CG 3.25Å; T529-W533 PolarHBondContact O-N 2.83Å |
| 530 | L | 88.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.1 | -74.9 | 172.6 | 0 | 0 | 0 | 111.9 | L526 D527 W533 N534 E544 A547 R548 L551 | L526-L530 WeakPolarHBondContact O-CB 3.34Å; L526-L530 WeakPolarHBondContact O-CG 3.22Å; L526-L530 PolarHBondContact O-N 3.37Å; D527-L530 PolarHBondContact O-N 2.7Å; L530-W533 HydrophobicContact CD2-CE3 4.21Å; L530-W533 HydrophobicContact CD2-CZ3 4.41Å; L530-W533 PolarHBondContact O-N 3.46Å; L530-N534 PolarHBondContact O-N 3.29Å; L530-N534 VanDerWaalsContact O-N 3.12Å; L530-N534 PolarHBondContact O-ND2 3.11Å; L530-E544 HydrophobicContact CD2-CB 4.42Å; L530-E544 HydrophobicContact CD2-CG 3.57Å; L530-A547 HydrophobicContact CD1-CB 4.16Å; L530-A547 HydrophobicContact CD2-CB 3.86Å; L530-A547 HydrophobicContact CG-CB 3.96Å; L530-R548 HydrophobicContact CD1-CG 3.75Å; L530-R548 HydrophobicContact CD2-CG 3.99Å; L530-L551 HydrophobicContact CD1-CD2 4.07Å |
| 531 | Y | 87.2 | Confident | 84.4 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 177.7 | -178.9 | -103.8 | 0 | 0 | 0 | 111.2 | L269 R270 E273 Q320 D527 Q528 T529 N534 R535 | L269-Y531 HydrophobicContact CB-CD1 4.37Å; L269-Y531 HydrophobicContact CB-CD2 4Å; L269-Y531 HydrophobicContact CB-CG 3.92Å; L269-Y531 HydrophobicContact CD1-CD1 3.72Å; L269-Y531 HydrophobicContact CD1-CG 3.78Å; R270-Y531 HydrophobicContact CG-CD2 4.13Å; E273-Y531 PolarHBondContact OE1-OH 2.96Å; E273-Y531 VanDerWaalsContact OE2-CE2 3.25Å; E273-Y531 WeakPolarHBondContact OE2-CE2 3.22Å; E273-Y531 PolarHBondContact OE2-OH 3.35Å; Q320-Y531 PolarHBondContact NE2-OH 3.02Å; Q320-Y531 VanDerWaalsContact OE1-CE1 3.23Å; Q320-Y531 PolarHBondContact OE1-OH 2.87Å; Q320-Y531 VanDerWaalsContact OE1-OH 3.07Å; D527-Y531 WeakPolarHBondContact O-CB 3.2Å; D527-Y531 PolarHBondContact O-N 3.07Å; Q528-Y531 PolarHBondContact O-N 2.91Å; T529-Y531 PolarHBondContact O-N 2.71Å; Y531-N534 PolarHBondContact O-N 3.3Å; Y531-R535 PolarHBondContact O-N 3.5Å |
| 532 | R | 86.2 | Confident | 84.2 | Confident | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.3 | -179 | 172.5 | 54.4 | 113.8 | 6.9 | 112.7 | E405 E409 Q528 T529 N534 R535 L536 | E405-R532 WeakPolarHBondContact OE2-CD 3.49Å; E405-R532 IonicContact OE2-CZ 2.8Å; E405-R532 VanDerWaalsContact OE2-CZ 3.27Å; E405-R532 IonicContact OE2-NE 3.24Å; E405-R532 PolarHBondContact OE2-NE 3.4Å; E405-R532 IonicContact OE2-NH2 3.45Å; E405-R532 PolarHBondContact OE2-NH2 2.66Å; E409-R532 VanDerWaalsContact CD-NH2 3.26Å; E409-R532 IonicContact OE1-CZ 3.24Å; E409-R532 VanDerWaalsContact OE1-CZ 3.26Å; E409-R532 IonicContact OE1-NH1 2.79Å; E409-R532 PolarHBondContact OE1-NH1 3.14Å; E409-R532 IonicContact OE1-NH2 2.84Å; E409-R532 PolarHBondContact OE1-NH2 3.48Å; E409-R532 IonicContact OE2-CZ 3.29Å; E409-R532 IonicContact OE2-NH1 3.56Å; E409-R532 PolarHBondContact OE2-NH1 2.85Å; E409-R532 IonicContact OE2-NH2 3.44Å; Q528-R532 WeakPolarHBondContact O-CB 3.18Å; Q528-R532 PolarHBondContact O-N 3.35Å; T529-R532 PolarHBondContact O-N 3.39Å; R532-N534 VanDerWaalsContact C-N 3.35Å; R532-N534 PolarHBondContact O-N 3.27Å; R532-R535 WeakPolarHBondContact O-CB 3.24Å; R532-R535 PolarHBondContact O-N 3.42Å; R532-R535 VanDerWaalsContact O-N 3.12Å; R532-L536 HydrophobicContact CG-CD1 3.63Å; R532-L536 HydrophobicContact CG-CG 4.08Å; R532-L536 WeakPolarHBondContact O-CG 3.33Å; R532-L536 PolarHBondContact O-N 2.94Å |
| 533 | W | 85.6 | Confident | 84 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.1 | -70 | -8.1 | 0 | 0 | 0 | 112.8 | E409 L496 W497 T529 L530 R535 L536 G537 I538 E544 | E409-W533 PolarHBondContact OE1-NE1 2.78Å; L496-W533 HydrophobicContact CB-CH2 4.21Å; L496-W533 HydrophobicContact CD1-CH2 4.06Å; L496-W533 HydrophobicContact CD1-CZ2 4.49Å; W497-W533 AromaticContact CE2-CZ2 3.67Å; W497-W533 HydrophobicContact CH2-CZ2 4.06Å; W497-W533 AromaticContact CZ2-CE2 3.55Å; W497-W533 AromaticContact CZ2-CZ2 3.42Å; W497-W533 HydrophobicContact CZ2-CZ2 3.42Å; W497-W533 VanDerWaalsContact CZ2-CZ2 3.42Å; W497-W533 AromaticContact CZ2-NE1 3.37Å; W497-W533 AromaticContact NE1-CZ2 3.95Å; T529-W533 HydrophobicContact CG2-CD2 3.88Å; T529-W533 HydrophobicContact CG2-CE3 4.27Å; T529-W533 HydrophobicContact CG2-CH2 3.72Å; T529-W533 HydrophobicContact CG2-CZ2 3.26Å; T529-W533 HydrophobicContact CG2-CZ3 4.18Å; T529-W533 VanDerWaalsContact O-CG 3.25Å; T529-W533 PolarHBondContact O-N 2.83Å; L530-W533 HydrophobicContact CD2-CE3 4.21Å; L530-W533 HydrophobicContact CD2-CZ3 4.41Å; L530-W533 PolarHBondContact O-N 3.46Å; W533-R535 PolarHBondContact O-N 3.35Å; W533-L536 PolarHBondContact O-N 3.3Å; W533-G537 PolarHBondContact O-N 2.89Å; W533-G537 VanDerWaalsContact O-N 3.11Å; W533-I538 HydrophobicContact CB-CB 4.32Å; W533-I538 HydrophobicContact CG-CB 4.34Å; W533-I538 HydrophobicContact CG-CG2 4.47Å; W533-I538 PolarHBondContact O-N 2.7Å; W533-E544 HydrophobicContact CE3-CB 4.23Å; W533-E544 HydrophobicContact CE3-CG 4.44Å; W533-E544 HydrophobicContact CZ3-CB 4.26Å |
| 534 | N | 84.4 | Confident | 83.9 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 174.9 | -72.9 | -61 | 0 | 0 | 0 | 111.4 | R270 L530 Y531 R532 | R270-N534 PolarHBondContact NH2-ND2 2.78Å; L530-N534 PolarHBondContact O-N 3.29Å; L530-N534 VanDerWaalsContact O-N 3.12Å; L530-N534 PolarHBondContact O-ND2 3.11Å; Y531-N534 PolarHBondContact O-N 3.3Å; R532-N534 VanDerWaalsContact C-N 3.35Å; R532-N534 PolarHBondContact O-N 3.27Å |
| 535 | R | 79.3 | Confident | 84 | Confident | 80 Ų | 80 | 49.8 Ų | 49.8 | 30% | 0.302 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.8 | -48.5 | -179.4 | -166.5 | -178.1 | 76.6 | -156.8 | 6.3 | 112.3 | Q320 Q357 Y531 R532 W533 G537 | Q320-R535 VanDerWaalsContact CD-CD 3.45Å; Q357-R535 PolarHBondContact NE2-O 2.91Å; Y531-R535 PolarHBondContact O-N 3.5Å; R532-R535 WeakPolarHBondContact O-CB 3.24Å; R532-R535 PolarHBondContact O-N 3.42Å; R532-R535 VanDerWaalsContact O-N 3.12Å; W533-R535 PolarHBondContact O-N 3.35Å; R535-G537 PolarHBondContact O-N 3.16Å |
| 536 | L | 77.3 | Confident | 84 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.7 | -0.6 | -177.6 | -65.1 | -179 | 0 | 0 | 0 | 113.7 | P356 Q357 R532 W533 I538 | P356-L536 HydrophobicContact CB-CD2 4.17Å; Q357-L536 HydrophobicContact CG-CD2 3.62Å; R532-L536 HydrophobicContact CG-CD1 3.63Å; R532-L536 HydrophobicContact CG-CG 4.08Å; R532-L536 WeakPolarHBondContact O-CG 3.33Å; R532-L536 PolarHBondContact O-N 2.94Å; W533-L536 PolarHBondContact O-N 3.3Å; L536-I538 HydrophobicContact CB-CD1 3.76Å; L536-I538 HydrophobicContact CB-CG1 3.74Å; L536-I538 HydrophobicContact CD1-CD1 3.73Å; L536-I538 HydrophobicContact CG-CD1 4.4Å; L536-I538 PolarHBondContact O-N 2.62Å |
| 537 | G | 76.2 | Confident | 84 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 53% | 0.526 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 32.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W533 R535 E539 | W533-G537 PolarHBondContact O-N 2.89Å; W533-G537 VanDerWaalsContact O-N 3.11Å; R535-G537 PolarHBondContact O-N 3.16Å; G537-E539 PolarHBondContact O-N 3.04Å |
| 538 | I | 74.1 | Confident | 84.1 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | trans | -78.8 | 106.6 | -178.2 | -66.8 | 171.8 | 0 | 0 | 0 | 109 | W497 W533 L536 S540 | W497-I538 HydrophobicContact CH2-CG2 3.86Å; W533-I538 HydrophobicContact CB-CB 4.32Å; W533-I538 HydrophobicContact CG-CB 4.34Å; W533-I538 HydrophobicContact CG-CG2 4.47Å; W533-I538 PolarHBondContact O-N 2.7Å; L536-I538 HydrophobicContact CB-CD1 3.76Å; L536-I538 HydrophobicContact CB-CG1 3.74Å; L536-I538 HydrophobicContact CD1-CD1 3.73Å; L536-I538 HydrophobicContact CG-CD1 4.4Å; L536-I538 PolarHBondContact O-N 2.62Å; I538-S540 PolarHBondContact O-N 3.18Å; I538-S540 VanDerWaalsContact O-N 3.16Å | ||
| 539 | E | 66.8 | Low | 84.2 | Confident | 185 Ų | 185 | 55.7 Ų | 55.7 | 86% | 0.864 | 27% | 0.269 | S | S | * | . | trans | -79 | 95.6 | 176.1 | -64.1 | -177.2 | 176.9 | 0 | 0 | 111.1 | G537 | G537-E539 PolarHBondContact O-N 3.04Š| ||
| 540 | S | 77.7 | Confident | 84.4 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | trans | -130.3 | 68 | 171.8 | -164 | 0 | 0 | 0 | 0 | 109.6 | I538 R542 S543 E544 | I538-S540 PolarHBondContact O-N 3.18Å; I538-S540 VanDerWaalsContact O-N 3.16Å; S540-R542 PolarHBondContact O-N 3.26Å; S540-R542 VanDerWaalsContact O-N 3.1Å; S540-S543 PolarHBondContact O-N 3.45Å; S540-S543 VanDerWaalsContact OG-CB 3.27Å; S540-S543 WeakPolarHBondContact OG-CB 3.49Å; S540-S543 PolarHBondContact OG-OG 3.11Å; S540-E544 WeakPolarHBondContact O-CB 3.47Å; S540-E544 PolarHBondContact O-N 3.46Å | ||
| 541 | P | 80.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.2 | -31.5 | -165 | 21.5 | -33.3 | 0 | 0 | 0 | 113.6 | K545 | P541-K545 VanDerWaalsContact O-CB 3.23Å; P541-K545 WeakPolarHBondContact O-CB 3.39Å; P541-K545 PolarHBondContact O-N 3.49Å; P541-K545 VanDerWaalsContact O-N 3.11Å |
| 542 | R | 84.8 | Confident | 84.6 | Confident | 203 Ų | 203 | 62.4 Ų | 62.4 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.5 | -47.7 | 176.1 | -70.3 | -173.2 | 179.5 | -178.5 | 0.4 | 112 | S540 K545 L546 | S540-R542 PolarHBondContact O-N 3.26Å; S540-R542 VanDerWaalsContact O-N 3.1Å; R542-K545 PolarHBondContact O-N 2.91Å; R542-L546 WeakPolarHBondContact O-CB 3.5Å; R542-L546 PolarHBondContact O-N 2.78Å |
| 543 | S | 87 | Confident | 84.6 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69 | -38.3 | -178.5 | -41.8 | 0 | 0 | 0 | 0 | 111.3 | L496 H502 S540 L546 A547 | L496-S543 WeakPolarHBondContact O-CB 3.5Å; L496-S543 PolarHBondContact O-OG 2.94Å; H502-S543 PolarHBondContact NE2-OG 2.83Å; S540-S543 PolarHBondContact O-N 3.45Å; S540-S543 VanDerWaalsContact OG-CB 3.27Å; S540-S543 WeakPolarHBondContact OG-CB 3.49Å; S540-S543 PolarHBondContact OG-OG 3.11Å; S543-L546 PolarHBondContact O-N 3.21Å; S543-A547 WeakPolarHBondContact O-CB 3.3Å; S543-A547 PolarHBondContact O-N 2.83Å |
| 544 | E | 87.7 | Confident | 84.8 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 174.9 | -165.8 | -165.8 | 152.9 | 0 | 0 | 111.4 | L530 W533 S540 L546 A547 R548 | L530-E544 HydrophobicContact CD2-CB 4.42Å; L530-E544 HydrophobicContact CD2-CG 3.57Å; W533-E544 HydrophobicContact CE3-CB 4.23Å; W533-E544 HydrophobicContact CE3-CG 4.44Å; W533-E544 HydrophobicContact CZ3-CB 4.26Å; S540-E544 WeakPolarHBondContact O-CB 3.47Å; S540-E544 PolarHBondContact O-N 3.46Å; E544-L546 PolarHBondContact O-N 2.94Å; E544-A547 PolarHBondContact O-N 3.18Å; E544-R548 WeakPolarHBondContact O-CB 3.47Å; E544-R548 VanDerWaalsContact O-CG 3.29Å; E544-R548 WeakPolarHBondContact O-CG 3.24Å; E544-R548 PolarHBondContact O-N 2.9Å; E544-R548 IonicContact OE1-CZ 3.49Å; E544-R548 IonicContact OE1-NE 3.37Å; E544-R548 PolarHBondContact OE1-NE 3.49Å; E544-R548 IonicContact OE1-NH2 3.84Å; E544-R548 PolarHBondContact OE1-NH2 2.79Å |
| 545 | K | 90.3 | Very high | 84.8 | Confident | 131 Ų | 131 | 66.1 Ų | 66.1 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.1 | -48.2 | 174.8 | -179 | 177.4 | 172.5 | -178.2 | 0 | 111.1 | P541 R542 R548 E549 | P541-K545 VanDerWaalsContact O-CB 3.23Å; P541-K545 WeakPolarHBondContact O-CB 3.39Å; P541-K545 PolarHBondContact O-N 3.49Å; P541-K545 VanDerWaalsContact O-N 3.11Å; R542-K545 PolarHBondContact O-N 2.91Å; K545-R548 PolarHBondContact O-N 3.18Å; K545-E549 WeakPolarHBondContact CE-OE1 3.48Å; K545-E549 IonicContact NZ-OE1 3.75Å; K545-E549 WeakPolarHBondContact O-CG 3.15Å; K545-E549 PolarHBondContact O-N 3.12Å |
| 546 | L | 91.3 | Very high | 85 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 178.1 | 177.7 | 63.2 | 0 | 0 | 0 | 111.8 | L496 H502 A505 R542 S543 E544 R548 E549 L550 | L496-L546 HydrophobicContact CD2-CD2 4.29Å; L496-L546 HydrophobicContact CD2-CG 4.47Å; H502-L546 HydrophobicContact CB-CD2 4.09Å; A505-L546 HydrophobicContact CB-CD1 4.3Å; A505-L546 HydrophobicContact CB-CD2 3.91Å; R542-L546 WeakPolarHBondContact O-CB 3.5Å; R542-L546 PolarHBondContact O-N 2.78Å; S543-L546 PolarHBondContact O-N 3.21Å; E544-L546 PolarHBondContact O-N 2.94Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.43Å; L546-E549 PolarHBondContact O-N 2.76Å; L546-L550 HydrophobicContact CD1-CD1 4.01Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 3.82Å; L546-L550 HydrophobicContact CG-CG 4.39Å; L546-L550 WeakPolarHBondContact O-CB 3.21Å; L546-L550 VanDerWaalsContact O-CG 3.3Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.35Å |
| 547 | A | 91.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L496 L526 L530 S543 E544 L551 | L496-A547 HydrophobicContact CD1-CB 4.46Å; L496-A547 HydrophobicContact CD2-CB 3.93Å; L526-A547 HydrophobicContact CD2-CB 4.11Å; L530-A547 HydrophobicContact CD1-CB 4.16Å; L530-A547 HydrophobicContact CD2-CB 3.86Å; L530-A547 HydrophobicContact CG-CB 3.96Å; S543-A547 WeakPolarHBondContact O-CB 3.3Å; S543-A547 PolarHBondContact O-N 2.83Å; E544-A547 PolarHBondContact O-N 3.18Å; A547-L551 WeakPolarHBondContact O-CB 3.09Å; A547-L551 PolarHBondContact O-N 2.9Å |
| 548 | R | 91.3 | Very high | 84.8 | Confident | 97 Ų | 97 | 73.9 Ų | 73.9 | 37% | 0.366 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 175.7 | -71.6 | 177 | -173.7 | -71.6 | 1.4 | 112.6 | L530 E544 K545 L546 K552 | L530-R548 HydrophobicContact CD1-CG 3.75Å; L530-R548 HydrophobicContact CD2-CG 3.99Å; E544-R548 WeakPolarHBondContact O-CB 3.47Å; E544-R548 VanDerWaalsContact O-CG 3.29Å; E544-R548 WeakPolarHBondContact O-CG 3.24Å; E544-R548 PolarHBondContact O-N 2.9Å; E544-R548 IonicContact OE1-CZ 3.49Å; E544-R548 IonicContact OE1-NE 3.37Å; E544-R548 PolarHBondContact OE1-NE 3.49Å; E544-R548 IonicContact OE1-NH2 3.84Å; E544-R548 PolarHBondContact OE1-NH2 2.79Å; K545-R548 PolarHBondContact O-N 3.18Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.43Å; R548-K552 WeakPolarHBondContact O-CB 3.5Å; R548-K552 PolarHBondContact O-N 2.83Å |
| 549 | E | 92.1 | Very high | 85.3 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 176.7 | -72.9 | 174.8 | 176.3 | 0 | 0 | 111.2 | W506 K545 L546 L551 K552 E553 | W506-E549 HydrophobicContact CZ2-CB 4.09Å; K545-E549 WeakPolarHBondContact CE-OE1 3.48Å; K545-E549 IonicContact NZ-OE1 3.75Å; K545-E549 WeakPolarHBondContact O-CG 3.15Å; K545-E549 PolarHBondContact O-N 3.12Å; L546-E549 PolarHBondContact O-N 2.76Å; E549-L551 PolarHBondContact O-N 3.23Å; E549-K552 PolarHBondContact O-N 3.41Å; E549-E553 PolarHBondContact O-N 3.43Å |
| 550 | L | 91.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.7 | -70.6 | 167.5 | 0 | 0 | 0 | 111.8 | A505 W506 I509 L526 L546 K552 E553 L554 | A505-L550 HydrophobicContact CB-CD1 4.38Å; W506-L550 HydrophobicContact CD2-CD2 3.54Å; W506-L550 HydrophobicContact CE3-CD2 3.56Å; W506-L550 HydrophobicContact CG-CD2 4.18Å; W506-L550 HydrophobicContact CH2-CD2 3.87Å; W506-L550 HydrophobicContact CH2-CG 4.47Å; W506-L550 HydrophobicContact CZ2-CD2 3.87Å; W506-L550 HydrophobicContact CZ2-CG 4.3Å; W506-L550 HydrophobicContact CZ3-CD2 3.71Å; I509-L550 HydrophobicContact CD1-CB 4.5Å; I509-L550 HydrophobicContact CD1-CD1 3.43Å; I509-L550 VanDerWaalsContact CD1-CD1 3.43Å; I509-L550 HydrophobicContact CD1-CD2 3.6Å; I509-L550 HydrophobicContact CD1-CG 4.03Å; L526-L550 HydrophobicContact CD1-CB 3.77Å; L546-L550 HydrophobicContact CD1-CD1 4.01Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 3.82Å; L546-L550 HydrophobicContact CG-CG 4.39Å; L546-L550 WeakPolarHBondContact O-CB 3.21Å; L546-L550 VanDerWaalsContact O-CG 3.3Å; L546-L550 WeakPolarHBondContact O-CG 3.29Å; L546-L550 PolarHBondContact O-N 3.35Å; L550-K552 VanDerWaalsContact C-N 3.31Å; L550-K552 PolarHBondContact O-N 2.66Å; L550-E553 PolarHBondContact O-N 3.4Å; L550-L554 WeakPolarHBondContact O-CG 3.14Å; L550-L554 PolarHBondContact O-N 2.99Å |
| 551 | L | 90.7 | Very high | 86.8 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 179.5 | -174.7 | 68.8 | 0 | 0 | 0 | 111.9 | I523 L526 D527 L530 A547 E549 E553 R555 | I523-L551 HydrophobicContact CB-CD1 4.3Å; I523-L551 HydrophobicContact CG2-CD1 3.7Å; L526-L551 HydrophobicContact CB-CD1 4.1Å; L526-L551 HydrophobicContact CD1-CB 4.36Å; D527-L551 HydrophobicContact CB-CD1 4.48Å; L530-L551 HydrophobicContact CD1-CD2 4.07Å; A547-L551 WeakPolarHBondContact O-CB 3.09Å; A547-L551 PolarHBondContact O-N 2.9Å; E549-L551 PolarHBondContact O-N 3.23Å; L551-E553 VanDerWaalsContact C-N 3.34Å; L551-E553 PolarHBondContact O-N 3.19Å; L551-R555 WeakPolarHBondContact O-CB 3.41Å; L551-R555 VanDerWaalsContact O-CG 3.31Å; L551-R555 WeakPolarHBondContact O-CG 3.36Å; L551-R555 PolarHBondContact O-N 3.47Å; L551-R555 VanDerWaalsContact O-N 3.11Å |
| 552 | K | 89.6 | Confident | 87.1 | Confident | 159 Ų | 159 | 72.3 Ų | 72.3 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 178.3 | -177.1 | -178.4 | 174.8 | -172.3 | 0 | 111.7 | R548 E549 L550 | R548-K552 WeakPolarHBondContact O-CB 3.5Å; R548-K552 PolarHBondContact O-N 2.83Å; E549-K552 PolarHBondContact O-N 3.41Å; L550-K552 VanDerWaalsContact C-N 3.31Å; L550-K552 PolarHBondContact O-N 2.66Å |
| 553 | E | 87.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -77.3 | -36.6 | -179.2 | -171.5 | 61.8 | -148.3 | 0 | 0 | 112.6 | W506 E549 L550 L551 R555 T556 | W506-E553 HydrophobicContact CH2-CB 3.45Å; W506-E553 VanDerWaalsContact CH2-CB 3.45Å; W506-E553 HydrophobicContact CH2-CG 3.91Å; W506-E553 HydrophobicContact CZ3-CB 3.6Å; W506-E553 HydrophobicContact CZ3-CG 3.63Å; E549-E553 PolarHBondContact O-N 3.43Å; L550-E553 PolarHBondContact O-N 3.4Å; L551-E553 VanDerWaalsContact C-N 3.34Å; L551-E553 PolarHBondContact O-N 3.19Å; E553-R555 VanDerWaalsContact C-N 3.28Å; E553-R555 PolarHBondContact O-N 3.29Å; E553-T556 PolarHBondContact O-N 3.48Å; E553-T556 PolarHBondContact O-OG1 2.72Å |
| 554 | L | 88 | Confident | 87.3 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 176.5 | -68.7 | 170.1 | 0 | 0 | 0 | 111.6 | I509 A513 T519 I522 I523 L526 L550 T556 Q557 | I509-L554 HydrophobicContact CG2-CD1 4Å; I509-L554 HydrophobicContact CG2-CD2 3.84Å; I509-L554 HydrophobicContact CG2-CG 4.33Å; A513-L554 HydrophobicContact CB-CD2 4.28Å; T519-L554 HydrophobicContact CG2-CD2 4.19Å; I522-L554 HydrophobicContact CB-CD1 4.3Å; I522-L554 HydrophobicContact CG2-CD1 3.51Å; I523-L554 HydrophobicContact CD1-CB 3.99Å; I523-L554 HydrophobicContact CG1-CB 3.65Å; I523-L554 HydrophobicContact CG1-CD1 4.32Å; L526-L554 HydrophobicContact CD1-CD1 3.84Å; L550-L554 WeakPolarHBondContact O-CG 3.14Å; L550-L554 PolarHBondContact O-N 2.99Å; L554-T556 PolarHBondContact O-N 2.97Å; L554-Q557 PolarHBondContact O-N 2.96Å |
| 555 | R | 84.9 | Confident | 87.3 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.1 | 174.4 | -74.8 | -179.5 | 178 | 161.7 | 3.4 | 114 | E265 N267 I523 D527 L551 E553 | E265-R555 IonicContact OE1-NE 3.51Å; N267-R555 PolarHBondContact O-NH2 3.19Å; N267-R555 VanDerWaalsContact O-NH2 3.08Å; I523-R555 HydrophobicContact CD1-CG 4.36Å; I523-R555 HydrophobicContact CG2-CG 4.4Å; D527-R555 IonicContact OD1-CZ 3.69Å; D527-R555 IonicContact OD1-NH2 3.96Å; D527-R555 PolarHBondContact OD1-NH2 3.15Å; L551-R555 WeakPolarHBondContact O-CB 3.41Å; L551-R555 VanDerWaalsContact O-CG 3.31Å; L551-R555 WeakPolarHBondContact O-CG 3.36Å; L551-R555 PolarHBondContact O-N 3.47Å; L551-R555 VanDerWaalsContact O-N 3.11Å; E553-R555 VanDerWaalsContact C-N 3.28Å; E553-R555 PolarHBondContact O-N 3.29Å |
| 556 | T | 83.8 | Confident | 87 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11.4 | 172.2 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | E553 L554 | E553-T556 PolarHBondContact O-N 3.48Å; E553-T556 PolarHBondContact O-OG1 2.72Å; L554-T556 PolarHBondContact O-N 2.97Å |
| 557 | Q | 75.8 | Confident | 86.7 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | trans | -96.8 | -10.9 | -178.9 | -63.8 | 177.1 | 15.4 | 0 | 0 | 113.7 | L554 | L554-Q557 PolarHBondContact O-N 2.96Š| ||
| 558 | V | 73.2 | Confident | 86.2 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | trans | -116.4 | 0 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | T519 H520 I523 | T519-V558 HydrophobicContact CG2-CG2 3.47Å; T519-V558 VanDerWaalsContact CG2-CG2 3.47Å; H520-V558 WeakPolarHBondContact CE1-CG1 3.27Å; I523-V558 HydrophobicContact CD1-CG2 4.02Å |
Retrieved 558 of 558 residues in 567.1 ms
(Link to these results)