| 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 | 38.5 | Very low | 69.1 | Low | 234 Ų | 234 | 91.9 Ų | 91.9 | 100% | 1.153 | 50% | 0.496 | S | S | * | . | 0 | 109 | 0 | -62.6 | 179.5 | 178.4 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.29Š| |||
| 2 | I | 42.8 | Very low | 70.3 | Confident | 124 Ų | 124 | 89.8 Ų | 89.8 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | trans | -78.5 | 101.1 | 179.9 | -63.3 | 170.9 | 0 | 0 | 0 | 106.5 | L4 | I2-L4 PolarHBondContact O-N 2.97Š| ||
| 3 | S | 50.5 | Low | 71.7 | Confident | 109 Ų | 109 | 85.4 Ų | 85.4 | 76% | 0.762 | 47% | 0.471 | S | S | * | . | trans | -65.8 | 115 | 174.6 | -79.3 | 0 | 0 | 0 | 0 | 109.4 | M1 T5 | M1-S3 PolarHBondContact O-N 3.29Å; S3-T5 PolarHBondContact O-N 3.32Å | ||
| 4 | L | 62.4 | Low | 73.1 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | trans | -64.6 | 128 | 163.6 | -67.8 | 171.8 | 0 | 0 | 0 | 108.2 | I2 K9 M12 | I2-L4 PolarHBondContact O-N 2.97Å; L4-K9 HydrophobicContact CB-CG 4.41Å; L4-M12 HydrophobicContact CD1-CE 3.93Å | ||
| 5 | T | 75.9 | Confident | 74.2 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 52% | 0.515 | 43% | 0.433 | S | S | . | . | trans | -63.7 | 146.5 | 175.7 | -29.4 | 0 | 0 | 0 | 0 | 109.4 | S3 S7 Q8 K9 | S3-T5 PolarHBondContact O-N 3.32Å; T5-S7 PolarHBondContact O-N 3.34Å; T5-S7 VanDerWaalsContact O-N 3.14Å; T5-Q8 WeakPolarHBondContact O-CA 3.37Å; T5-Q8 WeakPolarHBondContact O-CB 3.07Å; T5-Q8 PolarHBondContact O-N 3.04Å; T5-K9 PolarHBondContact O-N 3.47Å | ||
| 6 | D | 79.9 | Confident | 75.2 | Confident | 109 Ų | 109 | 76.3 Ų | 76.3 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.8 | -32.3 | -179.2 | -62.5 | -56.7 | 0 | 0 | 0 | 112.6 | Q8 K9 I10 | D6-Q8 VanDerWaalsContact C-N 3.31Å; D6-Q8 PolarHBondContact O-N 3.32Å; D6-K9 PolarHBondContact O-N 3.38Å; D6-K9 IonicContact OD1-NZ 2.74Å; D6-I10 WeakPolarHBondContact O-CG1 3.46Å; D6-I10 PolarHBondContact O-N 3.46Å |
| 7 | S | 76.6 | Confident | 76.1 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.7 | -37.8 | 170.6 | -49.6 | 0 | 0 | 0 | 0 | 113.4 | T5 G11 | T5-S7 PolarHBondContact O-N 3.34Å; T5-S7 VanDerWaalsContact O-N 3.14Å; S7-G11 PolarHBondContact O-N 3.06Å |
| 8 | Q | 79.3 | Confident | 77.1 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 17% | 0.168 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72 | -35.8 | 178.8 | -63.9 | -178.3 | -47.3 | 0 | 0 | 111.4 | T5 D6 G11 M12 V49 | T5-Q8 WeakPolarHBondContact O-CA 3.37Å; T5-Q8 WeakPolarHBondContact O-CB 3.07Å; T5-Q8 PolarHBondContact O-N 3.04Å; D6-Q8 VanDerWaalsContact C-N 3.31Å; D6-Q8 PolarHBondContact O-N 3.32Å; Q8-G11 PolarHBondContact O-N 2.8Å; Q8-M12 VanDerWaalsContact O-CG 3.3Å; Q8-M12 WeakPolarHBondContact O-CG 3.31Å; Q8-M12 PolarHBondContact O-N 3.49Å; Q8-V49 PolarHBondContact NE2-O 3.12Å |
| 9 | K | 81.8 | Confident | 77.8 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 174 | -66.3 | 176.6 | -175 | 165.6 | 0 | 111.3 | L4 T5 D6 G11 M12 G13 | L4-K9 HydrophobicContact CB-CG 4.41Å; T5-K9 PolarHBondContact O-N 3.47Å; D6-K9 PolarHBondContact O-N 3.38Å; D6-K9 IonicContact OD1-NZ 2.74Å; K9-G11 VanDerWaalsContact C-N 3.32Å; K9-M12 HydrophobicContact CB-CE 4.48Å; K9-M12 HydrophobicContact CG-CE 4.27Å; K9-M12 PolarHBondContact O-N 3.09Å; K9-G13 PolarHBondContact O-N 3.31Å; K9-G13 VanDerWaalsContact O-N 3.12Å |
| 10 | I | 86.3 | Confident | 78.5 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.7 | -67.6 | 164.6 | 0 | 0 | 0 | 110.2 | D6 M12 G13 L14 | D6-I10 WeakPolarHBondContact O-CG1 3.46Å; D6-I10 PolarHBondContact O-N 3.46Å; I10-M12 PolarHBondContact O-N 3.06Å; I10-G13 PolarHBondContact O-N 3.37Å; I10-L14 HydrophobicContact CG2-CD1 3.64Å; I10-L14 PolarHBondContact O-N 2.85Å |
| 11 | G | 86.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S7 Q8 K9 G13 L14 T15 G45 F48 | S7-G11 PolarHBondContact O-N 3.06Å; Q8-G11 PolarHBondContact O-N 2.8Å; K9-G11 VanDerWaalsContact C-N 3.32Å; G11-G13 VanDerWaalsContact C-N 3.31Å; G11-G13 PolarHBondContact O-N 2.9Å; G11-L14 PolarHBondContact O-N 3.32Å; G11-T15 PolarHBondContact O-N 2.79Å; G11-T15 PolarHBondContact O-OG1 3.41Å; G11-G45 WeakPolarHBondContact O-CA 3.38Å; G11-F48 VanDerWaalsContact CA-CB 3.45Å |
| 12 | M | 83.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.2 | -74.1 | -174.7 | -63.9 | 0 | 0 | 111.7 | L4 Q8 K9 I10 G16 V49 I112 | L4-M12 HydrophobicContact CD1-CE 3.93Å; Q8-M12 VanDerWaalsContact O-CG 3.3Å; Q8-M12 WeakPolarHBondContact O-CG 3.31Å; Q8-M12 PolarHBondContact O-N 3.49Å; K9-M12 HydrophobicContact CB-CE 4.48Å; K9-M12 HydrophobicContact CG-CE 4.27Å; K9-M12 PolarHBondContact O-N 3.09Å; I10-M12 PolarHBondContact O-N 3.06Å; M12-G16 PolarHBondContact O-N 3Å; M12-V49 HydrophobicContact CG-CG2 3.99Å; M12-I112 HydrophobicContact SD-CD1 3.47Å; M12-I112 WeakPolarHBondContact SD-CD1 3.41Å; M12-I112 HydrophobicContact SD-CG1 4.11Å |
| 13 | G | 88.3 | Confident | 84.1 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K9 I10 G11 T15 G16 F17 | K9-G13 PolarHBondContact O-N 3.31Å; K9-G13 VanDerWaalsContact O-N 3.12Å; I10-G13 PolarHBondContact O-N 3.37Å; G11-G13 VanDerWaalsContact C-N 3.31Å; G11-G13 PolarHBondContact O-N 2.9Å; G13-T15 PolarHBondContact O-N 3.41Å; G13-G16 PolarHBondContact O-N 3.32Å; G13-F17 WeakPolarHBondContact O-CD2 3.41Å; G13-F17 PolarHBondContact O-N 3.21Å |
| 14 | L | 91.8 | Very high | 86.1 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.9 | -82.8 | 153.5 | 0 | 0 | 0 | 112.7 | I10 G11 G16 F17 G18 L41 G45 F48 | I10-L14 HydrophobicContact CG2-CD1 3.64Å; I10-L14 PolarHBondContact O-N 2.85Å; G11-L14 PolarHBondContact O-N 3.32Å; L14-G16 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 3.21Å; L14-F17 PolarHBondContact O-N 2.94Å; L14-G18 PolarHBondContact O-N 3.47Å; L14-L41 HydrophobicContact CD2-CD2 3.59Å; L14-G45 VanDerWaalsContact CB-CA 3.45Å; L14-F48 HydrophobicContact CD1-CD2 3.81Å; L14-F48 HydrophobicContact CD1-CE2 4.23Å |
| 15 | T | 88.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 111 | G11 G13 G18 V19 F42 G45 L46 | G11-T15 PolarHBondContact O-N 2.79Å; G11-T15 PolarHBondContact O-OG1 3.41Å; G13-T15 PolarHBondContact O-N 3.41Å; T15-G18 PolarHBondContact O-N 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.14Å; T15-V19 PolarHBondContact O-N 2.94Å; T15-F42 HydrophobicContact CG2-CD2 3.84Å; T15-F42 HydrophobicContact CG2-CE2 3.75Å; T15-G45 VanDerWaalsContact OG1-CA 3.31Å; T15-G45 WeakPolarHBondContact OG1-CA 3.4Å; T15-L46 HydrophobicContact CG2-CD2 4.5Å; T15-L46 PolarHBondContact OG1-N 3.17Å |
| 16 | G | 90.1 | Very high | 88.2 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M12 G13 L14 G18 V19 F20 | M12-G16 PolarHBondContact O-N 3Å; G13-G16 PolarHBondContact O-N 3.32Å; L14-G16 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 3.21Å; G16-G18 VanDerWaalsContact C-N 3.34Å; G16-G18 PolarHBondContact O-N 3.42Å; G16-V19 PolarHBondContact O-N 2.85Å; G16-F20 WeakPolarHBondContact O-CB 3.43Å; G16-F20 PolarHBondContact O-N 3.19Å |
| 17 | F | 91.7 | Very high | 88.8 | Confident | 127 Ų | 127 | 61.8 Ų | 61.8 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 174 | -82 | -66.1 | 0 | 0 | 0 | 112.2 | G13 L14 F20 F21 L41 | G13-F17 WeakPolarHBondContact O-CD2 3.41Å; G13-F17 PolarHBondContact O-N 3.21Å; L14-F17 PolarHBondContact O-N 2.94Å; F17-F20 WeakPolarHBondContact O-CB 3.26Å; F17-F20 PolarHBondContact O-N 3.32Å; F17-F21 HydrophobicContact CD1-CE2 4.35Å; F17-F21 WeakPolarHBondContact O-CD2 3.41Å; F17-F21 PolarHBondContact O-N 3.3Å; F17-L41 HydrophobicContact CB-CD1 4.38Å |
| 18 | G | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.8 | -49 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L14 T15 G16 F20 F21 L22 G38 | L14-G18 PolarHBondContact O-N 3.47Å; T15-G18 PolarHBondContact O-N 3.26Å; G16-G18 VanDerWaalsContact C-N 3.34Å; G16-G18 PolarHBondContact O-N 3.42Å; G18-F20 VanDerWaalsContact C-N 3.32Å; G18-F20 PolarHBondContact O-N 2.94Å; G18-F21 PolarHBondContact O-N 2.94Å; G18-L22 WeakPolarHBondContact O-CB 3.36Å; G18-L22 VanDerWaalsContact O-CG 3.28Å; G18-L22 WeakPolarHBondContact O-CG 3.22Å; G18-L22 PolarHBondContact O-N 3.43Å; G18-G38 VanDerWaalsContact CA-O 3.28Å; G18-G38 WeakPolarHBondContact CA-O 3.29Å; G18-G38 WeakPolarHBondContact O-CA 3.39Å |
| 19 | V | 90.6 | Very high | 90 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.5 | 174 | 0 | 0 | 0 | 0 | 111.4 | T15 G16 L22 F23 F42 | T15-V19 WeakPolarHBondContact O-CG2 3.14Å; T15-V19 PolarHBondContact O-N 2.94Å; G16-V19 PolarHBondContact O-N 2.85Å; V19-L22 PolarHBondContact O-N 3.09Å; V19-F23 WeakPolarHBondContact O-CB 3.42Å; V19-F23 PolarHBondContact O-N 3.21Å; V19-F42 HydrophobicContact CG2-CD2 3.84Å; V19-F42 HydrophobicContact CG2-CE2 3.72Å |
| 20 | F | 93.1 | Very high | 90.2 | Very high | 112 Ų | 112 | 68.3 Ų | 68.3 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 176.5 | 172.7 | -97.1 | 0 | 0 | 0 | 111.8 | G16 F17 G18 L22 F23 F24 | G16-F20 WeakPolarHBondContact O-CB 3.43Å; G16-F20 PolarHBondContact O-N 3.19Å; F17-F20 WeakPolarHBondContact O-CB 3.26Å; F17-F20 PolarHBondContact O-N 3.32Å; G18-F20 VanDerWaalsContact C-N 3.32Å; G18-F20 PolarHBondContact O-N 2.94Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.07Å; F20-F23 PolarHBondContact O-N 3.31Å; F20-F24 VanDerWaalsContact O-CB 3.24Å; F20-F24 WeakPolarHBondContact O-CB 3.16Å; F20-F24 PolarHBondContact O-N 3.02Å |
| 21 | F | 92.5 | Very high | 90.4 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 179.2 | -78 | -65 | 0 | 0 | 0 | 112.9 | F17 G18 G25 I37 L41 | F17-F21 HydrophobicContact CD1-CE2 4.35Å; F17-F21 WeakPolarHBondContact O-CD2 3.41Å; F17-F21 PolarHBondContact O-N 3.3Å; G18-F21 PolarHBondContact O-N 2.94Å; F21-G25 PolarHBondContact O-N 2.99Å; F21-I37 HydrophobicContact CD2-CG2 4.31Å; F21-I37 HydrophobicContact CG-CG2 4.41Å; F21-L41 HydrophobicContact CD2-CD1 3.44Å; F21-L41 VanDerWaalsContact CD2-CD1 3.44Å; F21-L41 HydrophobicContact CE2-CD1 3.8Å; F21-L41 HydrophobicContact CG-CD1 4.48Å |
| 22 | L | 92.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 172.1 | -75.4 | 170.1 | 0 | 0 | 0 | 111.5 | G18 V19 F20 G25 M26 L35 N39 F42 | G18-L22 WeakPolarHBondContact O-CB 3.36Å; G18-L22 VanDerWaalsContact O-CG 3.28Å; G18-L22 WeakPolarHBondContact O-CG 3.22Å; G18-L22 PolarHBondContact O-N 3.43Å; V19-L22 PolarHBondContact O-N 3.09Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.07Å; L22-G25 PolarHBondContact O-N 3.22Å; L22-M26 WeakPolarHBondContact O-CG 3.39Å; L22-M26 PolarHBondContact O-N 3.33Å; L22-L35 HydrophobicContact CD2-CD2 3.98Å; L22-L35 WeakPolarHBondContact CD2-O 3.46Å; L22-L35 WeakPolarHBondContact O-CD2 3.45Å; L22-N39 WeakPolarHBondContact CD2-OD1 3.36Å; L22-F42 HydrophobicContact CD1-CB 4.33Å; L22-F42 HydrophobicContact CD1-CG 4.43Å |
| 23 | F | 92 | Very high | 90.9 | Very high | 118 Ų | 118 | 71.1 Ų | 71.1 | 52% | 0.518 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 178 | -178.2 | -108.5 | 0 | 0 | 0 | 112.2 | V19 F20 G25 M26 I27 | V19-F23 WeakPolarHBondContact O-CB 3.42Å; V19-F23 PolarHBondContact O-N 3.21Å; F20-F23 PolarHBondContact O-N 3.31Å; F23-G25 VanDerWaalsContact C-N 3.34Å; F23-G25 PolarHBondContact O-N 3.49Å; F23-M26 HydrophobicContact CB-CE 4.45Å; F23-M26 HydrophobicContact CD2-CE 4.05Å; F23-M26 WeakPolarHBondContact O-CB 3.44Å; F23-M26 PolarHBondContact O-N 3.41Å; F23-I27 HydrophobicContact CD1-CD1 3.8Å; F23-I27 HydrophobicContact CE1-CD1 3.26Å; F23-I27 HydrophobicContact CE1-CG1 4.36Å; F23-I27 HydrophobicContact CE2-CD1 4.29Å; F23-I27 HydrophobicContact CZ-CD1 3.55Å; F23-I27 HydrophobicContact CZ-CG1 4.35Å; F23-I27 PolarHBondContact O-N 3.29Å |
| 24 | F | 93.3 | Very high | 91.1 | Very high | 86 Ų | 86 | 71.3 Ų | 71.3 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 178.3 | -163.8 | -121.6 | 0 | 0 | 0 | 111.7 | F20 M26 I27 L28 L34 | F20-F24 VanDerWaalsContact O-CB 3.24Å; F20-F24 WeakPolarHBondContact O-CB 3.16Å; F20-F24 PolarHBondContact O-N 3.02Å; F24-M26 VanDerWaalsContact C-N 3.34Å; F24-M26 PolarHBondContact O-N 3.27Å; F24-I27 PolarHBondContact O-N 3.41Å; F24-L28 HydrophobicContact CD1-CD1 4.09Å; F24-L28 HydrophobicContact CE1-CD1 3.59Å; F24-L28 HydrophobicContact CE1-CG 4.39Å; F24-L28 HydrophobicContact CZ-CD1 3.89Å; F24-L28 HydrophobicContact CZ-CG 4.35Å; F24-L28 PolarHBondContact O-N 3.19Å; F24-L34 HydrophobicContact CB-CD2 4.42Å; F24-L34 HydrophobicContact CD1-CD2 3.35Å; F24-L34 HydrophobicContact CE1-CD2 3.95Å; F24-L34 HydrophobicContact CG-CD2 4.23Å |
| 25 | G | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F21 L22 F23 F30 D31 | F21-G25 PolarHBondContact O-N 2.99Å; L22-G25 PolarHBondContact O-N 3.22Å; F23-G25 VanDerWaalsContact C-N 3.34Å; F23-G25 PolarHBondContact O-N 3.49Å; G25-F30 CarbonylContact O-C 3.52Å; G25-F30 WeakPolarHBondContact O-CA 3.25Å; G25-F30 PolarHBondContact O-N 2.9Å; G25-D31 PolarHBondContact O-N 2.83Å |
| 26 | M | 90.6 | Very high | 91.2 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 173.4 | -70.8 | -171.9 | -66.8 | 0 | 0 | 112.3 | L22 F23 F24 L28 F29 F30 L35 V87 | L22-M26 WeakPolarHBondContact O-CG 3.39Å; L22-M26 PolarHBondContact O-N 3.33Å; F23-M26 HydrophobicContact CB-CE 4.45Å; F23-M26 HydrophobicContact CD2-CE 4.05Å; F23-M26 WeakPolarHBondContact O-CB 3.44Å; F23-M26 PolarHBondContact O-N 3.41Å; F24-M26 VanDerWaalsContact C-N 3.34Å; F24-M26 PolarHBondContact O-N 3.27Å; M26-L28 VanDerWaalsContact C-N 3.34Å; M26-L28 PolarHBondContact O-N 3.4Å; M26-F29 PolarHBondContact O-N 3.11Å; M26-F30 HydrophobicContact CG-CD1 4.35Å; M26-F30 HydrophobicContact CG-CE1 4.08Å; M26-F30 PolarHBondContact O-N 3.31Å; M26-L35 HydrophobicContact CG-CD2 4.08Å; M26-V87 HydrophobicContact SD-CG1 3.94Å |
| 27 | I | 92.8 | Very high | 91.3 | Very high | 97 Ų | 97 | 70.8 Ų | 70.8 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 178.3 | -69.9 | 172 | 0 | 0 | 0 | 111.4 | F23 F24 F29 | F23-I27 HydrophobicContact CD1-CD1 3.8Å; F23-I27 HydrophobicContact CE1-CD1 3.26Å; F23-I27 HydrophobicContact CE1-CG1 4.36Å; F23-I27 HydrophobicContact CE2-CD1 4.29Å; F23-I27 HydrophobicContact CZ-CD1 3.55Å; F23-I27 HydrophobicContact CZ-CG1 4.35Å; F23-I27 PolarHBondContact O-N 3.29Å; F24-I27 PolarHBondContact O-N 3.41Å; I27-F29 PolarHBondContact O-N 3.5Å |
| 28 | L | 92 | Very high | 91.3 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 42% | 0.424 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 42.4 | 176.7 | -67.4 | -176.3 | 0 | 0 | 0 | 112.8 | F24 M26 F30 D31 L34 | F24-L28 HydrophobicContact CD1-CD1 4.09Å; F24-L28 HydrophobicContact CE1-CD1 3.59Å; F24-L28 HydrophobicContact CE1-CG 4.39Å; F24-L28 HydrophobicContact CZ-CD1 3.89Å; F24-L28 HydrophobicContact CZ-CG 4.35Å; F24-L28 PolarHBondContact O-N 3.19Å; M26-L28 VanDerWaalsContact C-N 3.34Å; M26-L28 PolarHBondContact O-N 3.4Å; L28-F30 PolarHBondContact O-N 3.12Å; L28-D31 HydrophobicContact CB-CB 4.32Å; L28-D31 PolarHBondContact O-N 3.3Å; L28-L34 HydrophobicContact CD1-CD2 3.87Å |
| 29 | F | 88.3 | Confident | 91.3 | Very high | 198 Ų | 198 | 64.9 Ų | 64.9 | 87% | 0.868 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 42.6 | 177.7 | -62.8 | -82.6 | 0 | 0 | 0 | 114.3 | M26 I27 | M26-F29 PolarHBondContact O-N 3.11Å; I27-F29 PolarHBondContact O-N 3.5Å |
| 30 | F | 86.8 | Confident | 91.2 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 28% | 0.281 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 60.1 | 49.8 | -179.6 | -63.2 | -94.1 | 0 | 0 | 0 | 112.9 | G25 M26 L28 K32 L35 P83 I84 V87 | G25-F30 CarbonylContact O-C 3.52Å; G25-F30 WeakPolarHBondContact O-CA 3.25Å; G25-F30 PolarHBondContact O-N 2.9Å; M26-F30 HydrophobicContact CG-CD1 4.35Å; M26-F30 HydrophobicContact CG-CE1 4.08Å; M26-F30 PolarHBondContact O-N 3.31Å; L28-F30 PolarHBondContact O-N 3.12Å; F30-K32 PolarHBondContact O-N 3.07Å; F30-K32 VanDerWaalsContact O-N 3.16Å; F30-L35 HydrophobicContact CB-CD1 4.06Å; F30-L35 HydrophobicContact CD1-CD1 4.18Å; F30-P83 HydrophobicContact CB-CB 4Å; F30-P83 HydrophobicContact CB-CG 3.9Å; F30-P83 WeakPolarHBondContact O-CG 3.17Å; F30-I84 HydrophobicContact CB-CG1 4.37Å; F30-I84 HydrophobicContact CD1-CG1 4.14Å; F30-I84 HydrophobicContact CD2-CD1 4.47Å; F30-I84 HydrophobicContact CD2-CG1 3.89Å; F30-I84 HydrophobicContact CE1-CG1 4.41Å; F30-I84 HydrophobicContact CE2-CG1 4.18Å; F30-I84 HydrophobicContact CG-CG1 3.88Å; F30-I84 HydrophobicContact CZ-CG1 4.42Å; F30-V87 HydrophobicContact CD1-CG2 4.21Å; F30-V87 HydrophobicContact CE1-CB 4.29Å; F30-V87 HydrophobicContact CE1-CG1 4.33Å; F30-V87 HydrophobicContact CE1-CG2 4.33Å |
| 31 | D | 90.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | trans | -57.9 | 119.6 | 175.3 | -175.9 | -75.7 | 0 | 0 | 0 | 110.6 | G25 L28 A33 L34 L35 | G25-D31 PolarHBondContact O-N 2.83Å; L28-D31 HydrophobicContact CB-CB 4.32Å; L28-D31 PolarHBondContact O-N 3.3Å; D31-A33 VanDerWaalsContact C-N 3.32Å; D31-A33 PolarHBondContact O-N 2.93Å; D31-A33 WeakPolarHBondContact OD1-CA 3.46Å; D31-A33 WeakPolarHBondContact OD1-CB 3.22Å; D31-A33 PolarHBondContact OD1-N 3.26Å; D31-L34 HydrophobicContact CB-CB 4.25Å; D31-L34 HydrophobicContact CB-CD1 4.36Å; D31-L34 PolarHBondContact O-N 3.2Å; D31-L34 WeakPolarHBondContact OD1-CD1 3.34Å; D31-L34 PolarHBondContact OD1-N 3.49Å; D31-L35 WeakPolarHBondContact O-CB 3.48Å; D31-L35 VanDerWaalsContact O-CG 3.22Å; D31-L35 WeakPolarHBondContact O-CG 3.39Å; D31-L35 PolarHBondContact O-N 3.12Å | ||
| 32 | K | 88.1 | Confident | 91 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 48% | 0.478 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | -172.7 | -62.7 | 172.9 | -177.9 | -176.5 | 0 | 112.2 | F30 A36 G81 P83 | F30-K32 PolarHBondContact O-N 3.07Å; F30-K32 VanDerWaalsContact O-N 3.16Å; K32-A36 WeakPolarHBondContact O-CB 3.27Å; K32-A36 PolarHBondContact O-N 2.99Å; K32-G81 WeakPolarHBondContact CE-O 3.32Å; K32-G81 PolarHBondContact NZ-O 3.1Å; K32-P83 HydrophobicContact CG-CB 4.31Å; K32-P83 HydrophobicContact CG-CG 3.97Å |
| 33 | A | 89.9 | Confident | 90.7 | Very high | 55 Ų | 55 | 62 Ų | 62 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.1 | -43.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D31 A36 I37 | D31-A33 VanDerWaalsContact C-N 3.32Å; D31-A33 PolarHBondContact O-N 2.93Å; D31-A33 WeakPolarHBondContact OD1-CA 3.46Å; D31-A33 WeakPolarHBondContact OD1-CB 3.22Å; D31-A33 PolarHBondContact OD1-N 3.26Å; A33-A36 PolarHBondContact O-N 2.94Å; A33-I37 WeakPolarHBondContact O-CB 3.49Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 3.44Å; A33-I37 PolarHBondContact O-N 2.83Å |
| 34 | L | 92.5 | Very high | 90.5 | Very high | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.4 | -88.1 | 72.1 | 0 | 0 | 0 | 112 | F24 L28 D31 A36 I37 G38 | F24-L34 HydrophobicContact CB-CD2 4.42Å; F24-L34 HydrophobicContact CD1-CD2 3.35Å; F24-L34 HydrophobicContact CE1-CD2 3.95Å; F24-L34 HydrophobicContact CG-CD2 4.23Å; L28-L34 HydrophobicContact CD1-CD2 3.87Å; D31-L34 HydrophobicContact CB-CB 4.25Å; D31-L34 HydrophobicContact CB-CD1 4.36Å; D31-L34 PolarHBondContact O-N 3.2Å; D31-L34 WeakPolarHBondContact OD1-CD1 3.34Å; D31-L34 PolarHBondContact OD1-N 3.49Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-I37 PolarHBondContact O-N 3.06Å; L34-G38 PolarHBondContact O-N 3.42Å |
| 35 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.7 | -69.2 | 170.8 | 0 | 0 | 0 | 111 | L22 M26 F30 D31 G38 N39 V78 P83 V87 | L22-L35 HydrophobicContact CD2-CD2 3.98Å; L22-L35 WeakPolarHBondContact CD2-O 3.46Å; L22-L35 WeakPolarHBondContact O-CD2 3.45Å; M26-L35 HydrophobicContact CG-CD2 4.08Å; F30-L35 HydrophobicContact CB-CD1 4.06Å; F30-L35 HydrophobicContact CD1-CD1 4.18Å; D31-L35 WeakPolarHBondContact O-CB 3.48Å; D31-L35 VanDerWaalsContact O-CG 3.22Å; D31-L35 WeakPolarHBondContact O-CG 3.39Å; D31-L35 PolarHBondContact O-N 3.12Å; L35-G38 PolarHBondContact O-N 3.49Å; L35-N39 WeakPolarHBondContact O-CB 3.13Å; L35-N39 PolarHBondContact O-N 3.37Å; L35-N39 PolarHBondContact O-ND2 3.01Å; L35-N39 VanDerWaalsContact O-ND2 3.1Å; L35-V78 HydrophobicContact CB-CG1 3.66Å; L35-V78 HydrophobicContact CD1-CG1 4.33Å; L35-P83 HydrophobicContact CD1-CB 3.62Å; L35-V87 HydrophobicContact CD1-CG2 3.98Å; L35-V87 HydrophobicContact CD2-CG2 3.97Å |
| 36 | A | 90.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K32 A33 L34 G38 N39 I40 L79 | K32-A36 WeakPolarHBondContact O-CB 3.27Å; K32-A36 PolarHBondContact O-N 2.99Å; A33-A36 PolarHBondContact O-N 2.94Å; L34-A36 VanDerWaalsContact C-N 3.34Å; A36-G38 VanDerWaalsContact C-N 3.33Å; A36-G38 PolarHBondContact O-N 3.39Å; A36-N39 PolarHBondContact O-N 3.47Å; A36-I40 WeakPolarHBondContact O-CG1 3.47Å; A36-I40 PolarHBondContact O-N 2.9Å; A36-L79 HydrophobicContact CB-CD2 3.49Å; A36-L79 VanDerWaalsContact CB-CD2 3.49Å |
| 37 | I | 92.5 | Very high | 89.3 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.6 | -70.7 | 165.4 | 0 | 0 | 0 | 110.2 | F21 A33 L34 N39 I40 L41 | F21-I37 HydrophobicContact CD2-CG2 4.31Å; F21-I37 HydrophobicContact CG-CG2 4.41Å; A33-I37 WeakPolarHBondContact O-CB 3.49Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 3.44Å; A33-I37 PolarHBondContact O-N 2.83Å; L34-I37 PolarHBondContact O-N 3.06Å; I37-N39 VanDerWaalsContact C-N 3.34Å; I37-N39 PolarHBondContact O-N 3.01Å; I37-I40 PolarHBondContact O-N 3.04Å; I37-L41 HydrophobicContact CG2-CD1 3.61Å; I37-L41 HydrophobicContact CG2-CG 4.29Å; I37-L41 WeakPolarHBondContact O-CB 3.07Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 2.98Å |
| 38 | G | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G18 L34 L35 A36 L41 F42 | G18-G38 VanDerWaalsContact CA-O 3.28Å; G18-G38 WeakPolarHBondContact CA-O 3.29Å; G18-G38 WeakPolarHBondContact O-CA 3.39Å; L34-G38 PolarHBondContact O-N 3.42Å; L35-G38 PolarHBondContact O-N 3.49Å; A36-G38 VanDerWaalsContact C-N 3.33Å; A36-G38 PolarHBondContact O-N 3.39Å; G38-L41 PolarHBondContact O-N 3.44Å; G38-F42 WeakPolarHBondContact O-CB 3.4Å; G38-F42 PolarHBondContact O-N 2.94Å |
| 39 | N | 91.3 | Very high | 88 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 177.1 | -79.7 | -38.7 | 0 | 0 | 0 | 113.3 | L22 L35 A36 I37 F42 V43 V75 E90 | L22-N39 WeakPolarHBondContact CD2-OD1 3.36Å; L35-N39 WeakPolarHBondContact O-CB 3.13Å; L35-N39 PolarHBondContact O-N 3.37Å; L35-N39 PolarHBondContact O-ND2 3.01Å; L35-N39 VanDerWaalsContact O-ND2 3.1Å; A36-N39 PolarHBondContact O-N 3.47Å; I37-N39 VanDerWaalsContact C-N 3.34Å; I37-N39 PolarHBondContact O-N 3.01Å; N39-F42 PolarHBondContact O-N 3.21Å; N39-V43 WeakPolarHBondContact O-CG2 3.1Å; N39-V43 PolarHBondContact O-N 3.37Å; N39-V75 HydrophobicContact CB-CG1 4.19Å; N39-V75 HydrophobicContact CB-CG2 4.31Å; N39-E90 PolarHBondContact ND2-OE1 3Å; N39-E90 PolarHBondContact ND2-OE2 3.35Å; N39-E90 PolarHBondContact OD1-OE1 2.97Å |
| 40 | I | 90.5 | Very high | 87.3 | Confident | 116 Ų | 116 | 40.8 Ų | 40.8 | 60% | 0.595 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.1 | -49.1 | 177.5 | -67.5 | 167 | 0 | 0 | 0 | 110.4 | A36 I37 F42 V43 A44 | A36-I40 WeakPolarHBondContact O-CG1 3.47Å; A36-I40 PolarHBondContact O-N 2.9Å; I37-I40 PolarHBondContact O-N 3.04Å; I40-F42 VanDerWaalsContact C-N 3.29Å; I40-F42 PolarHBondContact O-N 2.87Å; I40-V43 PolarHBondContact O-N 2.65Å; I40-A44 VanDerWaalsContact O-CB 3.25Å; I40-A44 WeakPolarHBondContact O-CB 3.35Å; I40-A44 PolarHBondContact O-N 2.99Å |
| 41 | L | 91.3 | Very high | 86.5 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 178.6 | -72.2 | 167.8 | 0 | 0 | 0 | 111.6 | L14 F17 F21 I37 G38 G45 | L14-L41 HydrophobicContact CD2-CD2 3.59Å; F17-L41 HydrophobicContact CB-CD1 4.38Å; F21-L41 HydrophobicContact CD2-CD1 3.44Å; F21-L41 VanDerWaalsContact CD2-CD1 3.44Å; F21-L41 HydrophobicContact CE2-CD1 3.8Å; F21-L41 HydrophobicContact CG-CD1 4.48Å; I37-L41 HydrophobicContact CG2-CD1 3.61Å; I37-L41 HydrophobicContact CG2-CG 4.29Å; I37-L41 WeakPolarHBondContact O-CB 3.07Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 2.98Å; G38-L41 PolarHBondContact O-N 3.44Å; L41-G45 PolarHBondContact O-N 3.4Å |
| 42 | F | 89.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -49 | 179.8 | -176.2 | -112.3 | 0 | 0 | 0 | 112.4 | T15 V19 L22 G38 N39 I40 G45 L46 F71 F94 | T15-F42 HydrophobicContact CG2-CD2 3.84Å; T15-F42 HydrophobicContact CG2-CE2 3.75Å; V19-F42 HydrophobicContact CG2-CD2 3.84Å; V19-F42 HydrophobicContact CG2-CE2 3.72Å; L22-F42 HydrophobicContact CD1-CB 4.33Å; L22-F42 HydrophobicContact CD1-CG 4.43Å; G38-F42 WeakPolarHBondContact O-CB 3.4Å; G38-F42 PolarHBondContact O-N 2.94Å; N39-F42 PolarHBondContact O-N 3.21Å; I40-F42 VanDerWaalsContact C-N 3.29Å; I40-F42 PolarHBondContact O-N 2.87Å; F42-G45 PolarHBondContact O-N 2.75Å; F42-L46 HydrophobicContact CD1-CD1 3.86Å; F42-L46 HydrophobicContact CE1-CD1 3.48Å; F42-L46 VanDerWaalsContact CE1-CD1 3.48Å; F42-L46 HydrophobicContact CE1-CG 4.48Å; F42-L46 HydrophobicContact CE2-CD1 4.28Å; F42-L46 HydrophobicContact CE2-CG 4.49Å; F42-L46 HydrophobicContact CG-CD1 4.43Å; F42-L46 HydrophobicContact CZ-CD1 3.74Å; F42-L46 HydrophobicContact CZ-CG 4.39Å; F42-L46 WeakPolarHBondContact O-CB 3.02Å; F42-L46 WeakPolarHBondContact O-CG 3.45Å; F42-L46 PolarHBondContact O-N 3Å; F42-F71 HydrophobicContact CD1-CE2 4.43Å; F42-F71 HydrophobicContact CD1-CZ 4.03Å; F42-F71 HydrophobicContact CE1-CE2 4.22Å; F42-F71 HydrophobicContact CE1-CZ 4.14Å; F42-F94 AromaticContact CE1-CD2 3.55Å; F42-F94 HydrophobicContact CE1-CD2 3.55Å; F42-F94 AromaticContact CE1-CE2 3.3Å; F42-F94 HydrophobicContact CE1-CE2 3.3Å; F42-F94 HydrophobicContact CE1-CZ 4.15Å; F42-F94 HydrophobicContact CE2-CE2 4.41Å; F42-F94 AromaticContact CZ-CD2 3.81Å; F42-F94 HydrophobicContact CZ-CD2 3.81Å; F42-F94 HydrophobicContact CZ-CE1 4.43Å; F42-F94 AromaticContact CZ-CE2 3.13Å; F42-F94 HydrophobicContact CZ-CE2 3.13Å; F42-F94 AromaticContact CZ-CZ 3.52Å; F42-F94 HydrophobicContact CZ-CZ 3.52Å |
| 43 | V | 86.1 | Confident | 84 | Confident | 47 Ų | 47 | 42 Ų | 42 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | N39 I40 S47 F71 | N39-V43 WeakPolarHBondContact O-CG2 3.1Å; N39-V43 PolarHBondContact O-N 3.37Å; I40-V43 PolarHBondContact O-N 2.65Å; V43-S47 WeakPolarHBondContact O-CB 3.22Å; V43-S47 PolarHBondContact O-N 2.76Å; V43-S47 PolarHBondContact O-OG 2.63Å; V43-F71 HydrophobicContact CG2-CE1 3.6Å; V43-F71 HydrophobicContact CG2-CZ 3.78Å |
| 44 | A | 86.5 | Confident | 82.8 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 28% | 0.281 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | I40 S47 F48 | I40-A44 VanDerWaalsContact O-CB 3.25Å; I40-A44 WeakPolarHBondContact O-CB 3.35Å; I40-A44 PolarHBondContact O-N 2.99Å; A44-S47 WeakPolarHBondContact O-CB 3.41Å; A44-S47 PolarHBondContact O-N 3.38Å; A44-F48 VanDerWaalsContact O-CD2 3.24Å; A44-F48 WeakPolarHBondContact O-CD2 3.42Å; A44-F48 PolarHBondContact O-N 3.04Å |
| 45 | G | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G11 L14 T15 L41 F42 S47 F48 V49 | G11-G45 WeakPolarHBondContact O-CA 3.38Å; L14-G45 VanDerWaalsContact CB-CA 3.45Å; T15-G45 VanDerWaalsContact OG1-CA 3.31Å; T15-G45 WeakPolarHBondContact OG1-CA 3.4Å; L41-G45 PolarHBondContact O-N 3.4Å; F42-G45 PolarHBondContact O-N 2.75Å; G45-S47 VanDerWaalsContact C-N 3.26Å; G45-S47 PolarHBondContact O-N 3.27Å; G45-F48 PolarHBondContact O-N 3.1Å; G45-V49 WeakPolarHBondContact O-CG2 3.46Å; G45-V49 PolarHBondContact O-N 3.44Å |
| 46 | L | 82.8 | Confident | 80.2 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 175.8 | -76.2 | 172.1 | 0 | 0 | 0 | 112 | T15 F42 F48 V49 I50 F94 F98 | T15-L46 HydrophobicContact CG2-CD2 4.5Å; T15-L46 PolarHBondContact OG1-N 3.17Å; F42-L46 HydrophobicContact CD1-CD1 3.86Å; F42-L46 HydrophobicContact CE1-CD1 3.48Å; F42-L46 VanDerWaalsContact CE1-CD1 3.48Å; F42-L46 HydrophobicContact CE1-CG 4.48Å; F42-L46 HydrophobicContact CE2-CD1 4.28Å; F42-L46 HydrophobicContact CE2-CG 4.49Å; F42-L46 HydrophobicContact CG-CD1 4.43Å; F42-L46 HydrophobicContact CZ-CD1 3.74Å; F42-L46 HydrophobicContact CZ-CG 4.39Å; F42-L46 WeakPolarHBondContact O-CB 3.02Å; F42-L46 WeakPolarHBondContact O-CG 3.45Å; F42-L46 PolarHBondContact O-N 3Å; L46-F48 VanDerWaalsContact C-N 3.29Å; L46-F48 PolarHBondContact O-N 3.47Å; L46-V49 PolarHBondContact O-N 3.39Å; L46-I50 HydrophobicContact CD2-CD1 4.49Å; L46-I50 WeakPolarHBondContact O-CB 3.39Å; L46-I50 WeakPolarHBondContact O-CG1 3.33Å; L46-I50 PolarHBondContact O-N 3.16Å; L46-F94 HydrophobicContact CD1-CE2 4.13Å; L46-F98 HydrophobicContact CD1-CE2 4.12Å; L46-F98 HydrophobicContact CD1-CZ 3.74Å; L46-F98 HydrophobicContact CD2-CE1 4.09Å; L46-F98 HydrophobicContact CD2-CZ 3.67Å; L46-F98 HydrophobicContact CG-CZ 4.32Å |
| 47 | S | 82.8 | Confident | 79 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 176.9 | -58 | 0 | 0 | 0 | 0 | 112.3 | V43 A44 G45 G51 L52 | V43-S47 WeakPolarHBondContact O-CB 3.22Å; V43-S47 PolarHBondContact O-N 2.76Å; V43-S47 PolarHBondContact O-OG 2.63Å; A44-S47 WeakPolarHBondContact O-CB 3.41Å; A44-S47 PolarHBondContact O-N 3.38Å; G45-S47 VanDerWaalsContact C-N 3.26Å; G45-S47 PolarHBondContact O-N 3.27Å; S47-G51 CarbonylContact O-C 3.04Å; S47-G51 WeakPolarHBondContact O-CA 3.44Å; S47-G51 PolarHBondContact O-N 2.85Å; S47-L52 PolarHBondContact O-N 3.32Å; S47-L52 VanDerWaalsContact O-N 3.17Å |
| 48 | F | 81.1 | Confident | 77.8 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 39% | 0.386 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77.6 | -32.9 | 176.7 | -82.3 | -64.8 | 0 | 0 | 0 | 114 | G11 L14 A44 G45 L46 | G11-F48 VanDerWaalsContact CA-CB 3.45Å; L14-F48 HydrophobicContact CD1-CD2 3.81Å; L14-F48 HydrophobicContact CD1-CE2 4.23Å; A44-F48 VanDerWaalsContact O-CD2 3.24Å; A44-F48 WeakPolarHBondContact O-CD2 3.42Å; A44-F48 PolarHBondContact O-N 3.04Å; G45-F48 PolarHBondContact O-N 3.1Å; L46-F48 VanDerWaalsContact C-N 3.29Å; L46-F48 PolarHBondContact O-N 3.47Å |
| 49 | V | 76.3 | Confident | 76.5 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -47.3 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | Q8 M12 G45 L46 | Q8-V49 PolarHBondContact NE2-O 3.12Å; M12-V49 HydrophobicContact CG-CG2 3.99Å; G45-V49 WeakPolarHBondContact O-CG2 3.46Å; G45-V49 PolarHBondContact O-N 3.44Å; L46-V49 PolarHBondContact O-N 3.39Å |
| 50 | I | 73.4 | Confident | 75.1 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84 | -29.3 | -175.3 | -61.9 | 171.9 | 0 | 0 | 0 | 111.4 | L46 R54 T55 F101 | L46-I50 HydrophobicContact CD2-CD1 4.49Å; L46-I50 WeakPolarHBondContact O-CB 3.39Å; L46-I50 WeakPolarHBondContact O-CG1 3.33Å; L46-I50 PolarHBondContact O-N 3.16Å; I50-R54 HydrophobicContact CG2-CB 3.89Å; I50-T55 WeakPolarHBondContact CB-OG1 3.5Å; I50-T55 WeakPolarHBondContact CG2-OG1 3.44Å; I50-F101 HydrophobicContact CB-CZ 4.45Å; I50-F101 HydrophobicContact CD1-CD1 4.17Å; I50-F101 HydrophobicContact CD1-CE1 3.54Å; I50-F101 HydrophobicContact CD1-CZ 3.91Å; I50-F101 HydrophobicContact CG1-CE1 3.69Å; I50-F101 HydrophobicContact CG1-CZ 3.98Å; I50-F101 HydrophobicContact CG2-CE1 4.31Å; I50-F101 HydrophobicContact CG2-CZ 3.69Å |
| 51 | G | 70.4 | Confident | 73.9 | Confident | 29 Ų | 29 | 64 Ų | 64 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | trans | 97.3 | 133 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111 | S47 E53 R54 T55 | S47-G51 CarbonylContact O-C 3.04Å; S47-G51 WeakPolarHBondContact O-CA 3.44Å; S47-G51 PolarHBondContact O-N 2.85Å; G51-E53 VanDerWaalsContact C-N 3.31Å; G51-E53 PolarHBondContact O-N 3.02Å; G51-R54 PolarHBondContact O-N 3.4Å; G51-T55 WeakPolarHBondContact O-CB 3.37Å; G51-T55 PolarHBondContact O-N 3.37Å; G51-T55 PolarHBondContact O-OG1 3.38Å | ||
| 52 | L | 65.9 | Low | 72.4 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 52% | 0.518 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -52.3 | -46.1 | -174.8 | -89.9 | 158.1 | 0 | 0 | 0 | 112.9 | S47 T55 F56 | S47-L52 PolarHBondContact O-N 3.32Å; S47-L52 VanDerWaalsContact O-N 3.17Å; L52-T55 PolarHBondContact O-N 3.21Å; L52-F56 PolarHBondContact O-N 3Å |
| 53 | E | 59.1 | Low | 71.2 | Confident | 135 Ų | 135 | 79 Ų | 79 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.7 | -38.7 | -176.7 | -156.1 | -172.5 | 162.9 | 0 | 0 | 112.6 | G51 R57 | G51-E53 VanDerWaalsContact C-N 3.31Å; G51-E53 PolarHBondContact O-N 3.02Å; E53-R57 WeakPolarHBondContact O-CG 3.5Å; E53-R57 PolarHBondContact O-N 3.17Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 IonicContact OE1-CZ 3.14Å; E53-R57 IonicContact OE1-NE 3.7Å; E53-R57 IonicContact OE1-NH2 3.96Å; E53-R57 PolarHBondContact OE1-NH2 2.95Å |
| 54 | R | 64.1 | Low | 70.2 | Confident | 193 Ų | 193 | 78.9 Ų | 78.9 | 73% | 0.728 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.4 | -35.9 | 176.2 | -69.4 | -174.1 | -176.8 | -158.6 | 0.6 | 111.5 | I50 G51 R57 F58 | I50-R54 HydrophobicContact CG2-CB 3.89Å; G51-R54 PolarHBondContact O-N 3.4Å; R54-R57 PolarHBondContact O-N 3.06Å; R54-F58 WeakPolarHBondContact O-CB 3.46Å; R54-F58 PolarHBondContact O-N 2.87Å |
| 55 | T | 66.4 | Low | 69.5 | Low | 7 Ų | 7 | 80.9 Ų | 80.9 | 4% | 0.043 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 176.8 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | I50 G51 L52 F58 F59 | I50-T55 WeakPolarHBondContact CB-OG1 3.5Å; I50-T55 WeakPolarHBondContact CG2-OG1 3.44Å; G51-T55 WeakPolarHBondContact O-CB 3.37Å; G51-T55 PolarHBondContact O-N 3.37Å; G51-T55 PolarHBondContact O-OG1 3.38Å; L52-T55 PolarHBondContact O-N 3.21Å; T55-F58 PolarHBondContact O-N 3.37Å; T55-F59 HydrophobicContact CG2-CD2 3.8Å; T55-F59 HydrophobicContact CG2-CE2 4Å; T55-F59 WeakPolarHBondContact O-CB 3.34Å; T55-F59 WeakPolarHBondContact O-CD2 3.4Å; T55-F59 PolarHBondContact O-N 3.35Å |
| 56 | F | 64.3 | Low | 69.1 | Low | 130 Ų | 130 | 88.9 Ų | 88.9 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 174.8 | -102.2 | -85.5 | 0 | 0 | 0 | 112 | L52 F58 F59 F60 | L52-F56 PolarHBondContact O-N 3Å; F56-F58 VanDerWaalsContact C-N 3.28Å; F56-F58 PolarHBondContact O-N 2.87Å; F56-F59 PolarHBondContact O-N 2.94Å; F56-F60 HydrophobicContact CD1-CD2 4.03Å; F56-F60 HydrophobicContact CD1-CE2 4.19Å; F56-F60 HydrophobicContact CE1-CD2 4.44Å; F56-F60 HydrophobicContact CE1-CE2 4.15Å; F56-F60 WeakPolarHBondContact O-CB 3.19Å; F56-F60 PolarHBondContact O-N 3.34Å |
| 57 | R | 66.4 | Low | 69 | Low | 172 Ų | 172 | 88.3 Ų | 88.3 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.3 | -32.6 | 175.8 | -69.8 | -173.5 | -157 | -171.9 | 7.6 | 112.8 | E53 R54 Q61 | E53-R57 WeakPolarHBondContact O-CG 3.5Å; E53-R57 PolarHBondContact O-N 3.17Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 IonicContact OE1-CZ 3.14Å; E53-R57 IonicContact OE1-NE 3.7Å; E53-R57 IonicContact OE1-NH2 3.96Å; E53-R57 PolarHBondContact OE1-NH2 2.95Å; R54-R57 PolarHBondContact O-N 3.06Å; R57-Q61 WeakPolarHBondContact O-CB 3.36Å; R57-Q61 PolarHBondContact O-N 2.89Å |
| 58 | F | 65.8 | Low | 68.9 | Low | 21 Ų | 21 | 87.9 Ų | 87.9 | 9% | 0.092 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.2 | -43.8 | 178.1 | -173.1 | -102.9 | 0 | 0 | 0 | 112.3 | R54 T55 F56 L97 F101 | R54-F58 WeakPolarHBondContact O-CB 3.46Å; R54-F58 PolarHBondContact O-N 2.87Å; T55-F58 PolarHBondContact O-N 3.37Å; F56-F58 VanDerWaalsContact C-N 3.28Å; F56-F58 PolarHBondContact O-N 2.87Å; F58-L97 HydrophobicContact CD1-CD2 4.11Å; F58-L97 HydrophobicContact CE1-CD2 3.78Å; F58-L97 VanDerWaalsContact CZ-O 3.27Å; F58-L97 WeakPolarHBondContact CZ-O 3.36Å; F58-F101 HydrophobicContact CD1-CD2 4.31Å; F58-F101 AromaticContact CD2-CD2 3.54Å; F58-F101 HydrophobicContact CD2-CD2 3.54Å; F58-F101 AromaticContact CD2-CE2 3.77Å; F58-F101 HydrophobicContact CD2-CE2 3.77Å; F58-F101 HydrophobicContact CE1-CB 4.16Å; F58-F101 HydrophobicContact CE1-CD2 4.02Å; F58-F101 HydrophobicContact CE1-CG 4.2Å; F58-F101 HydrophobicContact CE2-CB 4.08Å; F58-F101 AromaticContact CE2-CD2 3.21Å; F58-F101 HydrophobicContact CE2-CD2 3.21Å; F58-F101 AromaticContact CE2-CE2 3.95Å; F58-F101 HydrophobicContact CE2-CE2 3.95Å; F58-F101 HydrophobicContact CE2-CG 4.01Å; F58-F101 HydrophobicContact CG-CD2 4.1Å; F58-F101 HydrophobicContact CG-CE2 4.13Å; F58-F101 HydrophobicContact CZ-CB 3.56Å; F58-F101 AromaticContact CZ-CD2 3.49Å; F58-F101 HydrophobicContact CZ-CD2 3.49Å; F58-F101 VanDerWaalsContact CZ-CD2 3.49Å; F58-F101 HydrophobicContact CZ-CE2 4.43Å; F58-F101 AromaticContact CZ-CG 3.81Å; F58-F101 HydrophobicContact CZ-CG 3.81Å |
| 59 | F | 66 | Low | 69 | Low | 16 Ų | 16 | 87.7 Ų | 87.7 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 176.1 | -93.3 | -111.3 | 0 | 0 | 0 | 112.1 | T55 F56 T68 F71 L72 L97 | T55-F59 HydrophobicContact CG2-CD2 3.8Å; T55-F59 HydrophobicContact CG2-CE2 4Å; T55-F59 WeakPolarHBondContact O-CB 3.34Å; T55-F59 WeakPolarHBondContact O-CD2 3.4Å; T55-F59 PolarHBondContact O-N 3.35Å; F56-F59 PolarHBondContact O-N 2.94Å; F59-T68 HydrophobicContact CB-CG2 4.23Å; F59-T68 HydrophobicContact CD1-CG2 3.55Å; F59-T68 HydrophobicContact CE1-CG2 4.33Å; F59-T68 HydrophobicContact CG-CG2 4.31Å; F59-T68 WeakPolarHBondContact O-CB 3.43Å; F59-T68 PolarHBondContact O-OG1 2.8Å; F59-F71 AromaticContact CE1-CD1 3.8Å; F59-F71 HydrophobicContact CE1-CD1 3.8Å; F59-F71 HydrophobicContact CE1-CE1 4.11Å; F59-F71 HydrophobicContact CZ-CD1 4.18Å; F59-F71 HydrophobicContact CZ-CE1 4.18Å; F59-L72 HydrophobicContact CD1-CD1 4.27Å; F59-L72 HydrophobicContact CE1-CD1 4.16Å; F59-L97 HydrophobicContact CD1-CD1 4.45Å; F59-L97 HydrophobicContact CD2-CD2 4.22Å; F59-L97 HydrophobicContact CE1-CD1 3.84Å; F59-L97 HydrophobicContact CE2-CD2 4.21Å; F59-L97 HydrophobicContact CG-CD2 4.38Å; F59-L97 HydrophobicContact CZ-CD1 3.9Å; F59-L97 HydrophobicContact CZ-CD2 4.34Å |
| 60 | F | 62.9 | Low | 69.4 | Low | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 14.5 | -177.2 | -81.2 | -92.3 | 0 | 0 | 0 | 115 | F56 K62 M65 | F56-F60 HydrophobicContact CD1-CD2 4.03Å; F56-F60 HydrophobicContact CD1-CE2 4.19Å; F56-F60 HydrophobicContact CE1-CD2 4.44Å; F56-F60 HydrophobicContact CE1-CE2 4.15Å; F56-F60 WeakPolarHBondContact O-CB 3.19Å; F56-F60 PolarHBondContact O-N 3.34Å; F60-K62 PolarHBondContact O-N 3.17Å; F60-M65 HydrophobicContact CB-SD 4.36Å; F60-M65 HydrophobicContact CD1-CE 4.04Å; F60-M65 HydrophobicContact CD1-SD 3.88Å; F60-M65 HydrophobicContact CE1-CE 4.23Å; F60-M65 HydrophobicContact CG-SD 4.36Å |
| 61 | Q | 65.6 | Low | 70.1 | Confident | 108 Ų | 108 | 89.8 Ų | 89.8 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | trans | -68.9 | 129 | 174.6 | -147.7 | 171.2 | 10.6 | 0 | 0 | 109.8 | R57 H63 K64 M65 | R57-Q61 WeakPolarHBondContact O-CB 3.36Å; R57-Q61 PolarHBondContact O-N 2.89Å; Q61-H63 PolarHBondContact O-N 2.92Å; Q61-K64 HydrophobicContact CB-CB 4.31Å; Q61-K64 HydrophobicContact CB-CG 4.35Å; Q61-K64 CarbonylContact O-C 3.6Å; Q61-K64 WeakPolarHBondContact O-CA 3.24Å; Q61-K64 PolarHBondContact O-N 3.19Å; Q61-M65 WeakPolarHBondContact O-CG 3.35Å; Q61-M65 PolarHBondContact O-N 3.19Å | ||
| 62 | K | 59.5 | Low | 70.8 | Confident | 201 Ų | 201 | 92.5 Ų | 92.5 | 87% | 0.874 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.5 | -176 | -68 | -171 | 178.3 | -177.3 | 0 | 113.9 | F60 K64 | F60-K62 PolarHBondContact O-N 3.17Å; K62-K64 VanDerWaalsContact C-N 3.33Å |
| 63 | H | 62.5 | Low | 71.9 | Confident | 175 Ų | 175 | 89 Ų | 89 | 81% | 0.81 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.4 | 179 | -157.9 | -63.7 | 0 | 0 | 0 | 113.9 | Q61 | Q61-H63 PolarHBondContact O-N 2.92Š|
| 64 | K | 66.4 | Low | 73.3 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 19% | 0.187 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -7.7 | -178.5 | -61.5 | -65 | -174.3 | 174.8 | 0 | 113.5 | Q61 K62 K66 A67 T68 | Q61-K64 HydrophobicContact CB-CB 4.31Å; Q61-K64 HydrophobicContact CB-CG 4.35Å; Q61-K64 CarbonylContact O-C 3.6Å; Q61-K64 WeakPolarHBondContact O-CA 3.24Å; Q61-K64 PolarHBondContact O-N 3.19Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K64-K66 PolarHBondContact O-N 3.14Å; K64-K66 VanDerWaalsContact O-N 3.12Å; K64-A67 WeakPolarHBondContact O-CB 3.48Å; K64-A67 PolarHBondContact O-N 3.41Å; K64-T68 PolarHBondContact O-N 3.49Å; K64-T68 PolarHBondContact O-OG1 2.91Å |
| 65 | M | 70.8 | Confident | 74.4 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -51.4 | -37.1 | 178.8 | -71.9 | -61.3 | -67.6 | 0 | 0 | 114.2 | F60 Q61 T68 S69 | F60-M65 HydrophobicContact CB-SD 4.36Å; F60-M65 HydrophobicContact CD1-CE 4.04Å; F60-M65 HydrophobicContact CD1-SD 3.88Å; F60-M65 HydrophobicContact CE1-CE 4.23Å; F60-M65 HydrophobicContact CG-SD 4.36Å; Q61-M65 WeakPolarHBondContact O-CG 3.35Å; Q61-M65 PolarHBondContact O-N 3.19Å; M65-T68 PolarHBondContact O-N 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.49Å; M65-S69 PolarHBondContact O-N 2.94Å |
| 66 | K | 77.6 | Confident | 75.4 | Confident | 167 Ų | 167 | 78.7 Ų | 78.7 | 73% | 0.726 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 176.3 | -68 | -175.4 | 178.8 | -178.1 | 0 | 111.4 | K64 S69 F70 | K64-K66 PolarHBondContact O-N 3.14Å; K64-K66 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.83Å; K66-F70 WeakPolarHBondContact O-CD2 3.42Å; K66-F70 PolarHBondContact O-N 3.32Å; K66-F70 VanDerWaalsContact O-N 3.17Å |
| 67 | A | 80.5 | Confident | 76.6 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K64 S69 F70 F71 L96 L97 | K64-A67 WeakPolarHBondContact O-CB 3.48Å; K64-A67 PolarHBondContact O-N 3.41Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-S69 PolarHBondContact O-N 2.83Å; A67-F70 PolarHBondContact O-N 3.4Å; A67-F71 PolarHBondContact O-N 2.93Å; A67-L96 HydrophobicContact CB-CB 3.7Å; A67-L96 HydrophobicContact CB-CD2 3.95Å; A67-L96 HydrophobicContact CB-CG 4.05Å; A67-L97 HydrophobicContact CB-CB 4.3Å; A67-L97 HydrophobicContact CB-CG 3.88Å |
| 68 | T | 81.1 | Confident | 77.6 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | F59 K64 M65 F70 F71 L72 | F59-T68 HydrophobicContact CB-CG2 4.23Å; F59-T68 HydrophobicContact CD1-CG2 3.55Å; F59-T68 HydrophobicContact CE1-CG2 4.33Å; F59-T68 HydrophobicContact CG-CG2 4.31Å; F59-T68 WeakPolarHBondContact O-CB 3.43Å; F59-T68 PolarHBondContact O-OG1 2.8Å; K64-T68 PolarHBondContact O-N 3.49Å; K64-T68 PolarHBondContact O-OG1 2.91Å; M65-T68 PolarHBondContact O-N 3.23Å; T68-F70 VanDerWaalsContact C-N 3.34Å; T68-F70 PolarHBondContact O-N 3.4Å; T68-F71 PolarHBondContact O-N 3.48Å; T68-L72 HydrophobicContact CG2-CD1 4.3Å; T68-L72 WeakPolarHBondContact O-CB 3.4Å; T68-L72 PolarHBondContact O-N 3.06Å |
| 69 | S | 83.1 | Confident | 78.4 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 58% | 0.58 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.8 | -36.3 | 177.7 | -169.7 | 0 | 0 | 0 | 0 | 112.7 | M65 K66 A67 G73 | M65-S69 WeakPolarHBondContact O-CB 3.49Å; M65-S69 PolarHBondContact O-N 2.94Å; K66-S69 PolarHBondContact O-N 2.83Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-S69 PolarHBondContact O-N 2.83Å; S69-G73 VanDerWaalsContact O-CA 3.25Å; S69-G73 WeakPolarHBondContact O-CA 3.28Å; S69-G73 PolarHBondContact O-N 3.32Å |
| 70 | F | 86.2 | Confident | 79.4 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 175.5 | -79.2 | -64.4 | 0 | 0 | 0 | 112 | K66 A67 T68 G74 L89 Y92 | K66-F70 WeakPolarHBondContact O-CD2 3.42Å; K66-F70 PolarHBondContact O-N 3.32Å; K66-F70 VanDerWaalsContact O-N 3.17Å; A67-F70 PolarHBondContact O-N 3.4Å; T68-F70 VanDerWaalsContact C-N 3.34Å; T68-F70 PolarHBondContact O-N 3.4Å; F70-G74 PolarHBondContact O-N 3.36Å; F70-L89 HydrophobicContact CD1-CD2 4.1Å; F70-L89 HydrophobicContact CE1-CD2 4.49Å; F70-Y92 HydrophobicContact CB-CD1 4.44Å; F70-Y92 HydrophobicContact CD2-CD1 4.39Å; F70-Y92 HydrophobicContact CD2-CE1 4.14Å; F70-Y92 HydrophobicContact CE2-CE1 4.33Å; F70-Y92 HydrophobicContact CG-CD1 4.21Å; F70-Y92 HydrophobicContact CG-CE1 4.4Å |
| 71 | F | 86.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 2% | 0.022 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.2 | -55.1 | 177.6 | 178.7 | -100.2 | 0 | 0 | 0 | 111.9 | F42 V43 F59 A67 T68 G73 G74 V75 F94 L97 | F42-F71 HydrophobicContact CD1-CE2 4.43Å; F42-F71 HydrophobicContact CD1-CZ 4.03Å; F42-F71 HydrophobicContact CE1-CE2 4.22Å; F42-F71 HydrophobicContact CE1-CZ 4.14Å; V43-F71 HydrophobicContact CG2-CE1 3.6Å; V43-F71 HydrophobicContact CG2-CZ 3.78Å; F59-F71 AromaticContact CE1-CD1 3.8Å; F59-F71 HydrophobicContact CE1-CD1 3.8Å; F59-F71 HydrophobicContact CE1-CE1 4.11Å; F59-F71 HydrophobicContact CZ-CD1 4.18Å; F59-F71 HydrophobicContact CZ-CE1 4.18Å; A67-F71 PolarHBondContact O-N 2.93Å; T68-F71 PolarHBondContact O-N 3.48Å; F71-G73 VanDerWaalsContact C-N 3.3Å; F71-G73 PolarHBondContact O-N 2.82Å; F71-G74 PolarHBondContact O-N 3.43Å; F71-V75 HydrophobicContact CE1-CG2 4.37Å; F71-V75 HydrophobicContact CZ-CG2 4.43Å; F71-V75 WeakPolarHBondContact O-CG2 3.46Å; F71-V75 PolarHBondContact O-N 3.38Å; F71-F94 HydrophobicContact CD2-CB 3.86Å; F71-F94 HydrophobicContact CD2-CD2 4.35Å; F71-F94 HydrophobicContact CE2-CB 4.16Å; F71-F94 HydrophobicContact CE2-CD2 4.02Å; F71-L97 HydrophobicContact CB-CD1 3.66Å; F71-L97 HydrophobicContact CD1-CD1 4.2Å; F71-L97 HydrophobicContact CG-CD1 3.98Å |
| 72 | L | 86.6 | Confident | 81.4 | Confident | 87 Ų | 87 | 74.5 Ų | 74.5 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.1 | -112 | 87.2 | 0 | 0 | 0 | 111.7 | F59 T68 G74 V75 L76 | F59-L72 HydrophobicContact CD1-CD1 4.27Å; F59-L72 HydrophobicContact CE1-CD1 4.16Å; T68-L72 HydrophobicContact CG2-CD1 4.3Å; T68-L72 WeakPolarHBondContact O-CB 3.4Å; T68-L72 PolarHBondContact O-N 3.06Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-V75 PolarHBondContact O-N 2.96Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.88Å |
| 73 | G | 89.2 | Confident | 82.6 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S69 F71 L76 I77 | S69-G73 VanDerWaalsContact O-CA 3.25Å; S69-G73 WeakPolarHBondContact O-CA 3.28Å; S69-G73 PolarHBondContact O-N 3.32Å; F71-G73 VanDerWaalsContact C-N 3.3Å; F71-G73 PolarHBondContact O-N 2.82Å; G73-L76 PolarHBondContact O-N 3.44Å; G73-I77 WeakPolarHBondContact O-CD1 3.47Å; G73-I77 VanDerWaalsContact O-CG1 3.22Å; G73-I77 WeakPolarHBondContact O-CG1 3.33Å; G73-I77 PolarHBondContact O-N 3.31Å |
| 74 | G | 87.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F70 F71 L72 L76 I77 V78 G86 E90 | F70-G74 PolarHBondContact O-N 3.36Å; F71-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact C-N 3.33Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.93Å; G74-I77 PolarHBondContact O-N 2.89Å; G74-I77 VanDerWaalsContact O-N 3.09Å; G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 2.8Å; G74-G86 WeakPolarHBondContact O-CA 3.37Å; G74-E90 VanDerWaalsContact C-CG 3.47Å |
| 75 | V | 87.1 | Confident | 85 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | N39 F71 L72 I77 V78 L79 E90 | N39-V75 HydrophobicContact CB-CG1 4.19Å; N39-V75 HydrophobicContact CB-CG2 4.31Å; F71-V75 HydrophobicContact CE1-CG2 4.37Å; F71-V75 HydrophobicContact CZ-CG2 4.43Å; F71-V75 WeakPolarHBondContact O-CG2 3.46Å; F71-V75 PolarHBondContact O-N 3.38Å; L72-V75 PolarHBondContact O-N 2.96Å; V75-I77 VanDerWaalsContact C-N 3.33Å; V75-I77 PolarHBondContact O-N 2.84Å; V75-V78 WeakPolarHBondContact O-CB 3.41Å; V75-V78 PolarHBondContact O-N 3.45Å; V75-L79 HydrophobicContact CG1-CD1 4.25Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 2.84Å; V75-E90 WeakPolarHBondContact CA-OE1 3.47Å; V75-E90 HydrophobicContact CG2-CG 4.31Å; V75-E90 WeakPolarHBondContact CG2-OE1 3.46Å; V75-E90 PolarHBondContact N-OE1 3.3Å |
| 76 | L | 88.1 | Confident | 86 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 178.1 | -70.2 | 175 | 0 | 0 | 0 | 112.1 | L72 G73 G74 L79 I80 | L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.88Å; G73-L76 PolarHBondContact O-N 3.44Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.93Å; L76-L79 WeakPolarHBondContact O-CB 3.29Å; L76-L79 PolarHBondContact O-N 3.02Å; L76-I80 WeakPolarHBondContact O-CB 3.12Å; L76-I80 WeakPolarHBondContact O-CD1 3.34Å; L76-I80 VanDerWaalsContact O-CG1 3.22Å; L76-I80 WeakPolarHBondContact O-CG1 3.46Å; L76-I80 PolarHBondContact O-N 2.93Å |
| 77 | I | 89.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.1 | -37.3 | 178.3 | -70.8 | 164.9 | 0 | 0 | 0 | 111.4 | G73 G74 V75 L79 I80 G81 W82 V85 L89 | G73-I77 WeakPolarHBondContact O-CD1 3.47Å; G73-I77 VanDerWaalsContact O-CG1 3.22Å; G73-I77 WeakPolarHBondContact O-CG1 3.33Å; G73-I77 PolarHBondContact O-N 3.31Å; G74-I77 PolarHBondContact O-N 2.89Å; G74-I77 VanDerWaalsContact O-N 3.09Å; V75-I77 VanDerWaalsContact C-N 3.33Å; V75-I77 PolarHBondContact O-N 2.84Å; I77-L79 VanDerWaalsContact C-N 3.31Å; I77-L79 PolarHBondContact O-N 3.38Å; I77-I80 PolarHBondContact O-N 3.24Å; I77-G81 PolarHBondContact O-N 2.88Å; I77-W82 HydrophobicContact CG2-CB 3.76Å; I77-W82 WeakPolarHBondContact CG2-O 3.36Å; I77-W82 PolarHBondContact O-N 3.33Å; I77-W82 VanDerWaalsContact O-N 3.07Å; I77-V85 HydrophobicContact CG2-CB 4.24Å; I77-V85 HydrophobicContact CG2-CG1 4.32Å; I77-L89 HydrophobicContact CD1-CD1 3.3Å |
| 78 | V | 86.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 170.2 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | L35 G74 V75 G81 P83 V87 E90 | L35-V78 HydrophobicContact CB-CG1 3.66Å; L35-V78 HydrophobicContact CD1-CG1 4.33Å; G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 2.8Å; V75-V78 WeakPolarHBondContact O-CB 3.41Å; V75-V78 PolarHBondContact O-N 3.45Å; V78-G81 PolarHBondContact O-N 3.01Å; V78-P83 HydrophobicContact CG1-CB 4.4Å; V78-V87 HydrophobicContact CG2-CG2 4.31Å; V78-E90 WeakPolarHBondContact CG2-OE2 3.46Å |
| 79 | L | 83.3 | Confident | 87.6 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 179.9 | -66.7 | 173.6 | 0 | 0 | 0 | 113.4 | A36 V75 L76 I77 G81 | A36-L79 HydrophobicContact CB-CD2 3.49Å; A36-L79 VanDerWaalsContact CB-CD2 3.49Å; V75-L79 HydrophobicContact CG1-CD1 4.25Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 2.84Å; L76-L79 WeakPolarHBondContact O-CB 3.29Å; L76-L79 PolarHBondContact O-N 3.02Å; I77-L79 VanDerWaalsContact C-N 3.31Å; I77-L79 PolarHBondContact O-N 3.38Å; L79-G81 PolarHBondContact O-N 3.34Å |
| 80 | I | 85.4 | Confident | 87.9 | Confident | 135 Ų | 135 | 55.3 Ų | 55.3 | 69% | 0.692 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.2 | -18.6 | 176.8 | -69.9 | 163.4 | 0 | 0 | 0 | 111.5 | L76 I77 | L76-I80 WeakPolarHBondContact O-CB 3.12Å; L76-I80 WeakPolarHBondContact O-CD1 3.34Å; L76-I80 VanDerWaalsContact O-CG1 3.22Å; L76-I80 WeakPolarHBondContact O-CG1 3.46Å; L76-I80 PolarHBondContact O-N 2.93Å; I77-I80 PolarHBondContact O-N 3.24Å |
| 81 | G | 82.5 | Confident | 87.9 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.4 | 19.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | K32 I77 V78 L79 P83 | K32-G81 WeakPolarHBondContact CE-O 3.32Å; K32-G81 PolarHBondContact NZ-O 3.1Å; I77-G81 PolarHBondContact O-N 2.88Å; V78-G81 PolarHBondContact O-N 3.01Å; L79-G81 PolarHBondContact O-N 3.34Å; G81-P83 WeakPolarHBondContact O-CD 3.34Å |
| 82 | W | 88.3 | Confident | 88 | Confident | 179 Ų | 179 | 61.1 Ų | 61.1 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | trans | -110.4 | 65.2 | 169.8 | -75.1 | 58.4 | 0 | 0 | 0 | 110.2 | I77 I84 V85 G86 | I77-W82 HydrophobicContact CG2-CB 3.76Å; I77-W82 WeakPolarHBondContact CG2-O 3.36Å; I77-W82 PolarHBondContact O-N 3.33Å; I77-W82 VanDerWaalsContact O-N 3.07Å; W82-I84 VanDerWaalsContact C-N 3.31Å; W82-I84 PolarHBondContact O-N 3.35Å; W82-V85 HydrophobicContact CE3-CG2 3.96Å; W82-V85 PolarHBondContact O-N 2.97Å; W82-G86 PolarHBondContact O-N 3.32Å | ||
| 83 | P | 86.3 | Confident | 88 | Confident | 16 Ų | 16 | 57 Ų | 57 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -32.7 | -167.5 | 27.5 | -37.1 | 0 | 0 | 0 | 113.4 | F30 K32 L35 V78 G81 G86 V87 | F30-P83 HydrophobicContact CB-CB 4Å; F30-P83 HydrophobicContact CB-CG 3.9Å; F30-P83 WeakPolarHBondContact O-CG 3.17Å; K32-P83 HydrophobicContact CG-CB 4.31Å; K32-P83 HydrophobicContact CG-CG 3.97Å; L35-P83 HydrophobicContact CD1-CB 3.62Å; V78-P83 HydrophobicContact CG1-CB 4.4Å; G81-P83 WeakPolarHBondContact O-CD 3.34Å; P83-G86 PolarHBondContact O-N 2.81Å; P83-V87 WeakPolarHBondContact O-CB 3.49Å; P83-V87 VanDerWaalsContact O-CG2 3.26Å; P83-V87 WeakPolarHBondContact O-CG2 3.35Å; P83-V87 PolarHBondContact O-N 3.39Å |
| 84 | I | 88.4 | Confident | 87.8 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.4 | -50.5 | 178.3 | -59.3 | 174.1 | 0 | 0 | 0 | 110.8 | F30 W82 G86 V88 | F30-I84 HydrophobicContact CB-CG1 4.37Å; F30-I84 HydrophobicContact CD1-CG1 4.14Å; F30-I84 HydrophobicContact CD2-CD1 4.47Å; F30-I84 HydrophobicContact CD2-CG1 3.89Å; F30-I84 HydrophobicContact CE1-CG1 4.41Å; F30-I84 HydrophobicContact CE2-CG1 4.18Å; F30-I84 HydrophobicContact CG-CG1 3.88Å; F30-I84 HydrophobicContact CZ-CG1 4.42Å; W82-I84 VanDerWaalsContact C-N 3.31Å; W82-I84 PolarHBondContact O-N 3.35Å; I84-G86 VanDerWaalsContact C-N 3.33Å; I84-V88 WeakPolarHBondContact O-CG2 3.27Å; I84-V88 PolarHBondContact O-N 3.18Å |
| 85 | V | 90.9 | Very high | 87.6 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | I77 W82 V88 L89 | I77-V85 HydrophobicContact CG2-CB 4.24Å; I77-V85 HydrophobicContact CG2-CG1 4.32Å; W82-V85 HydrophobicContact CE3-CG2 3.96Å; W82-V85 PolarHBondContact O-N 2.97Å; V85-V88 PolarHBondContact O-N 2.9Å; V85-L89 HydrophobicContact CG1-CD1 4.03Å; V85-L89 WeakPolarHBondContact O-CG 3.47Å; V85-L89 PolarHBondContact O-N 2.89Å |
| 86 | G | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.6 | -54 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G74 W82 P83 I84 V88 L89 E90 | G74-G86 WeakPolarHBondContact O-CA 3.37Å; W82-G86 PolarHBondContact O-N 3.32Å; P83-G86 PolarHBondContact O-N 2.81Å; I84-G86 VanDerWaalsContact C-N 3.33Å; G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.28Å; G86-L89 CarbonylContact O-C 3.53Å; G86-L89 PolarHBondContact O-N 3.14Å; G86-L89 VanDerWaalsContact O-N 3.09Å; G86-E90 VanDerWaalsContact O-CG 3.29Å; G86-E90 WeakPolarHBondContact O-CG 3.45Å; G86-E90 PolarHBondContact O-N 3.49Å |
| 87 | V | 90.2 | Very high | 86.8 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 179.7 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | M26 F30 L35 V78 P83 L89 E90 V91 | M26-V87 HydrophobicContact SD-CG1 3.94Å; F30-V87 HydrophobicContact CD1-CG2 4.21Å; F30-V87 HydrophobicContact CE1-CB 4.29Å; F30-V87 HydrophobicContact CE1-CG1 4.33Å; F30-V87 HydrophobicContact CE1-CG2 4.33Å; L35-V87 HydrophobicContact CD1-CG2 3.98Å; L35-V87 HydrophobicContact CD2-CG2 3.97Å; V78-V87 HydrophobicContact CG2-CG2 4.31Å; P83-V87 WeakPolarHBondContact O-CB 3.49Å; P83-V87 VanDerWaalsContact O-CG2 3.26Å; P83-V87 WeakPolarHBondContact O-CG2 3.35Å; P83-V87 PolarHBondContact O-N 3.39Å; V87-L89 PolarHBondContact O-N 3.17Å; V87-E90 PolarHBondContact O-N 3.23Å; V87-V91 HydrophobicContact CG1-CG2 4.34Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.34Å; V87-V91 PolarHBondContact O-N 2.91Å |
| 88 | V | 91.4 | Very high | 85.9 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | I84 V85 G86 Y92 | I84-V88 WeakPolarHBondContact O-CG2 3.27Å; I84-V88 PolarHBondContact O-N 3.18Å; V85-V88 PolarHBondContact O-N 2.9Å; G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.28Å; V88-Y92 WeakPolarHBondContact O-CB 3.31Å; V88-Y92 PolarHBondContact O-N 3.26Å |
| 89 | L | 91.2 | Very high | 85.1 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 176.9 | -69.6 | 172.8 | 0 | 0 | 0 | 112.2 | F70 I77 V85 G86 V87 Y92 G93 | F70-L89 HydrophobicContact CD1-CD2 4.1Å; F70-L89 HydrophobicContact CE1-CD2 4.49Å; I77-L89 HydrophobicContact CD1-CD1 3.3Å; V85-L89 HydrophobicContact CG1-CD1 4.03Å; V85-L89 WeakPolarHBondContact O-CG 3.47Å; V85-L89 PolarHBondContact O-N 2.89Å; G86-L89 CarbonylContact O-C 3.53Å; G86-L89 PolarHBondContact O-N 3.14Å; G86-L89 VanDerWaalsContact O-N 3.09Å; V87-L89 PolarHBondContact O-N 3.17Å; L89-Y92 PolarHBondContact O-N 2.94Å; L89-G93 PolarHBondContact O-N 2.83Å |
| 90 | E | 89.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -51.4 | 175.1 | -74.4 | 179 | 135.8 | 0 | 0 | 111.4 | N39 G74 V75 V78 G86 V87 Y92 G93 F94 | N39-E90 PolarHBondContact ND2-OE1 3Å; N39-E90 PolarHBondContact ND2-OE2 3.35Å; N39-E90 PolarHBondContact OD1-OE1 2.97Å; G74-E90 VanDerWaalsContact C-CG 3.47Å; V75-E90 WeakPolarHBondContact CA-OE1 3.47Å; V75-E90 HydrophobicContact CG2-CG 4.31Å; V75-E90 WeakPolarHBondContact CG2-OE1 3.46Å; V75-E90 PolarHBondContact N-OE1 3.3Å; V78-E90 WeakPolarHBondContact CG2-OE2 3.46Å; G86-E90 VanDerWaalsContact O-CG 3.29Å; G86-E90 WeakPolarHBondContact O-CG 3.45Å; G86-E90 PolarHBondContact O-N 3.49Å; V87-E90 PolarHBondContact O-N 3.23Å; E90-Y92 VanDerWaalsContact C-N 3.29Å; E90-Y92 PolarHBondContact O-N 3.38Å; E90-G93 PolarHBondContact O-N 2.96Å; E90-F94 WeakPolarHBondContact O-CA 3.45Å; E90-F94 WeakPolarHBondContact O-CB 3.28Å; E90-F94 PolarHBondContact O-N 3.32Å |
| 91 | V | 87.3 | Confident | 83.1 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60 | -43.3 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | V87 F95 | V87-V91 HydrophobicContact CG1-CG2 4.34Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.34Å; V87-V91 PolarHBondContact O-N 2.91Å; V91-F95 WeakPolarHBondContact O-CB 3.48Å; V91-F95 PolarHBondContact O-N 3.44Å |
| 92 | Y | 88.8 | Confident | 82 | Confident | 124 Ų | 124 | 66.6 Ų | 66.6 | 49% | 0.486 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -50.8 | 176.8 | -177.7 | -105.5 | 0 | 0 | 0 | 112.4 | F70 V88 L89 E90 F94 F95 L96 | F70-Y92 HydrophobicContact CB-CD1 4.44Å; F70-Y92 HydrophobicContact CD2-CD1 4.39Å; F70-Y92 HydrophobicContact CD2-CE1 4.14Å; F70-Y92 HydrophobicContact CE2-CE1 4.33Å; F70-Y92 HydrophobicContact CG-CD1 4.21Å; F70-Y92 HydrophobicContact CG-CE1 4.4Å; V88-Y92 WeakPolarHBondContact O-CB 3.31Å; V88-Y92 PolarHBondContact O-N 3.26Å; L89-Y92 PolarHBondContact O-N 2.94Å; E90-Y92 VanDerWaalsContact C-N 3.29Å; E90-Y92 PolarHBondContact O-N 3.38Å; Y92-F94 VanDerWaalsContact C-N 3.35Å; Y92-F94 PolarHBondContact O-N 3.48Å; Y92-F95 PolarHBondContact O-N 3.4Å; Y92-L96 HydrophobicContact CE1-CD2 4.38Å; Y92-L96 WeakPolarHBondContact O-CB 3.42Å; Y92-L96 PolarHBondContact O-N 2.92Å |
| 93 | G | 86 | Confident | 80.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -41 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L89 E90 L96 L97 | L89-G93 PolarHBondContact O-N 2.83Å; E90-G93 PolarHBondContact O-N 2.96Å; G93-L96 PolarHBondContact O-N 3.46Å; G93-L97 WeakPolarHBondContact O-CB 3.36Å; G93-L97 PolarHBondContact O-N 3.35Å |
| 94 | F | 84.3 | Confident | 79.1 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 175.5 | -176.8 | -100.3 | 0 | 0 | 0 | 111.1 | F42 L46 F71 E90 Y92 L96 L97 F98 | F42-F94 AromaticContact CE1-CD2 3.55Å; F42-F94 HydrophobicContact CE1-CD2 3.55Å; F42-F94 AromaticContact CE1-CE2 3.3Å; F42-F94 HydrophobicContact CE1-CE2 3.3Å; F42-F94 HydrophobicContact CE1-CZ 4.15Å; F42-F94 HydrophobicContact CE2-CE2 4.41Å; F42-F94 AromaticContact CZ-CD2 3.81Å; F42-F94 HydrophobicContact CZ-CD2 3.81Å; F42-F94 HydrophobicContact CZ-CE1 4.43Å; F42-F94 AromaticContact CZ-CE2 3.13Å; F42-F94 HydrophobicContact CZ-CE2 3.13Å; F42-F94 AromaticContact CZ-CZ 3.52Å; F42-F94 HydrophobicContact CZ-CZ 3.52Å; L46-F94 HydrophobicContact CD1-CE2 4.13Å; F71-F94 HydrophobicContact CD2-CB 3.86Å; F71-F94 HydrophobicContact CD2-CD2 4.35Å; F71-F94 HydrophobicContact CE2-CB 4.16Å; F71-F94 HydrophobicContact CE2-CD2 4.02Å; E90-F94 WeakPolarHBondContact O-CA 3.45Å; E90-F94 WeakPolarHBondContact O-CB 3.28Å; E90-F94 PolarHBondContact O-N 3.32Å; Y92-F94 VanDerWaalsContact C-N 3.35Å; Y92-F94 PolarHBondContact O-N 3.48Å; F94-L96 VanDerWaalsContact C-N 3.27Å; F94-L96 PolarHBondContact O-N 2.98Å; F94-L97 WeakPolarHBondContact O-CB 3.39Å; F94-L97 PolarHBondContact O-N 3.41Å; F94-F98 HydrophobicContact CD1-CD2 4.35Å; F94-F98 AromaticContact CD2-CD2 3.54Å; F94-F98 HydrophobicContact CD2-CD2 3.54Å; F94-F98 AromaticContact CD2-CE2 3.5Å; F94-F98 HydrophobicContact CD2-CE2 3.5Å; F94-F98 VanDerWaalsContact CD2-CE2 3.5Å; F94-F98 HydrophobicContact CE1-CD2 4.08Å; F94-F98 HydrophobicContact CE1-CG 4.35Å; F94-F98 AromaticContact CE2-CD2 3.18Å; F94-F98 HydrophobicContact CE2-CD2 3.18Å; F94-F98 HydrophobicContact CE2-CE1 4.41Å; F94-F98 AromaticContact CE2-CE2 2.96Å; F94-F98 HydrophobicContact CE2-CE2 2.96Å; F94-F98 HydrophobicContact CE2-CG 4.05Å; F94-F98 AromaticContact CE2-CZ 3.65Å; F94-F98 HydrophobicContact CE2-CZ 3.65Å; F94-F98 HydrophobicContact CG-CD2 4.1Å; F94-F98 HydrophobicContact CG-CE2 4.48Å; F94-F98 HydrophobicContact CZ-CD1 4.33Å; F94-F98 AromaticContact CZ-CD2 3.48Å; F94-F98 HydrophobicContact CZ-CD2 3.48Å; F94-F98 VanDerWaalsContact CZ-CD2 3.48Å; F94-F98 HydrophobicContact CZ-CE1 4.42Å; F94-F98 AromaticContact CZ-CE2 3.62Å; F94-F98 HydrophobicContact CZ-CE2 3.62Å; F94-F98 AromaticContact CZ-CG 3.88Å; F94-F98 HydrophobicContact CZ-CG 3.88Å; F94-F98 HydrophobicContact CZ-CZ 4.08Å; F94-F98 WeakPolarHBondContact O-CD2 3.17Å; F94-F98 PolarHBondContact O-N 3.36Å |
| 95 | F | 83.4 | Confident | 77.6 | Confident | 138 Ų | 138 | 58 Ų | 58 | 61% | 0.605 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 178.6 | -149.6 | -92.2 | 0 | 0 | 0 | 111.6 | V91 Y92 R99 | V91-F95 WeakPolarHBondContact O-CB 3.48Å; V91-F95 PolarHBondContact O-N 3.44Å; Y92-F95 PolarHBondContact O-N 3.4Å; F95-R99 WeakPolarHBondContact O-CB 3.29Å; F95-R99 PolarHBondContact O-N 2.95Å |
| 96 | L | 82 | Confident | 76 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.6 | -35.2 | 179.3 | -145.2 | 75.8 | 0 | 0 | 0 | 112.7 | A67 Y92 G93 F94 | A67-L96 HydrophobicContact CB-CB 3.7Å; A67-L96 HydrophobicContact CB-CD2 3.95Å; A67-L96 HydrophobicContact CB-CG 4.05Å; Y92-L96 HydrophobicContact CE1-CD2 4.38Å; Y92-L96 WeakPolarHBondContact O-CB 3.42Å; Y92-L96 PolarHBondContact O-N 2.92Å; G93-L96 PolarHBondContact O-N 3.46Å; F94-L96 VanDerWaalsContact C-N 3.27Å; F94-L96 PolarHBondContact O-N 2.98Å |
| 97 | L | 76.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -53.4 | 173.9 | -105.6 | 156.2 | 0 | 0 | 0 | 110 | F58 F59 A67 F71 G93 F94 R99 | F58-L97 HydrophobicContact CD1-CD2 4.11Å; F58-L97 HydrophobicContact CE1-CD2 3.78Å; F58-L97 VanDerWaalsContact CZ-O 3.27Å; F58-L97 WeakPolarHBondContact CZ-O 3.36Å; F59-L97 HydrophobicContact CD1-CD1 4.45Å; F59-L97 HydrophobicContact CD2-CD2 4.22Å; F59-L97 HydrophobicContact CE1-CD1 3.84Å; F59-L97 HydrophobicContact CE2-CD2 4.21Å; F59-L97 HydrophobicContact CG-CD2 4.38Å; F59-L97 HydrophobicContact CZ-CD1 3.9Å; F59-L97 HydrophobicContact CZ-CD2 4.34Å; A67-L97 HydrophobicContact CB-CB 4.3Å; A67-L97 HydrophobicContact CB-CG 3.88Å; F71-L97 HydrophobicContact CB-CD1 3.66Å; F71-L97 HydrophobicContact CD1-CD1 4.2Å; F71-L97 HydrophobicContact CG-CD1 3.98Å; G93-L97 WeakPolarHBondContact O-CB 3.36Å; G93-L97 PolarHBondContact O-N 3.35Å; F94-L97 WeakPolarHBondContact O-CB 3.39Å; F94-L97 PolarHBondContact O-N 3.41Å; L97-R99 VanDerWaalsContact C-N 3.35Å; L97-R99 PolarHBondContact O-N 3.49Å |
| 98 | F | 71.1 | Confident | 72.9 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79 | -12.1 | -172.2 | -79.3 | -93.9 | 0 | 0 | 0 | 114.5 | L46 F94 G100 F101 F102 | L46-F98 HydrophobicContact CD1-CE2 4.12Å; L46-F98 HydrophobicContact CD1-CZ 3.74Å; L46-F98 HydrophobicContact CD2-CE1 4.09Å; L46-F98 HydrophobicContact CD2-CZ 3.67Å; L46-F98 HydrophobicContact CG-CZ 4.32Å; F94-F98 HydrophobicContact CD1-CD2 4.35Å; F94-F98 AromaticContact CD2-CD2 3.54Å; F94-F98 HydrophobicContact CD2-CD2 3.54Å; F94-F98 AromaticContact CD2-CE2 3.5Å; F94-F98 HydrophobicContact CD2-CE2 3.5Å; F94-F98 VanDerWaalsContact CD2-CE2 3.5Å; F94-F98 HydrophobicContact CE1-CD2 4.08Å; F94-F98 HydrophobicContact CE1-CG 4.35Å; F94-F98 AromaticContact CE2-CD2 3.18Å; F94-F98 HydrophobicContact CE2-CD2 3.18Å; F94-F98 HydrophobicContact CE2-CE1 4.41Å; F94-F98 AromaticContact CE2-CE2 2.96Å; F94-F98 HydrophobicContact CE2-CE2 2.96Å; F94-F98 HydrophobicContact CE2-CG 4.05Å; F94-F98 AromaticContact CE2-CZ 3.65Å; F94-F98 HydrophobicContact CE2-CZ 3.65Å; F94-F98 HydrophobicContact CG-CD2 4.1Å; F94-F98 HydrophobicContact CG-CE2 4.48Å; F94-F98 HydrophobicContact CZ-CD1 4.33Å; F94-F98 AromaticContact CZ-CD2 3.48Å; F94-F98 HydrophobicContact CZ-CD2 3.48Å; F94-F98 VanDerWaalsContact CZ-CD2 3.48Å; F94-F98 HydrophobicContact CZ-CE1 4.42Å; F94-F98 AromaticContact CZ-CE2 3.62Å; F94-F98 HydrophobicContact CZ-CE2 3.62Å; F94-F98 AromaticContact CZ-CG 3.88Å; F94-F98 HydrophobicContact CZ-CG 3.88Å; F94-F98 HydrophobicContact CZ-CZ 4.08Å; F94-F98 WeakPolarHBondContact O-CD2 3.17Å; F94-F98 PolarHBondContact O-N 3.36Å; F98-G100 PolarHBondContact O-N 2.85Å; F98-F101 HydrophobicContact CD1-CB 4.05Å; F98-F101 HydrophobicContact CD1-CD1 4.41Å; F98-F101 HydrophobicContact CE1-CD1 4.25Å; F98-F101 CarbonylContact O-C 3.58Å; F98-F101 WeakPolarHBondContact O-CA 3.49Å; F98-F101 PolarHBondContact O-N 2.82Å; F98-F102 WeakPolarHBondContact O-CD2 3.12Å; F98-F102 PolarHBondContact O-N 3.44Å |
| 99 | R | 70.7 | Confident | 71.2 | Confident | 190 Ų | 190 | 58 Ų | 58 | 72% | 0.717 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.2 | 175.3 | -172.7 | 173.7 | 167.6 | -179.4 | -2.8 | 114 | F95 L97 | F95-R99 WeakPolarHBondContact O-CB 3.29Å; F95-R99 PolarHBondContact O-N 2.95Å; L97-R99 VanDerWaalsContact C-N 3.35Å; L97-R99 PolarHBondContact O-N 3.49Å |
| 100 | G | 64.2 | Low | 69.5 | Low | 44 Ų | 44 | 61.5 Ų | 61.5 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -11.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | F98 | F98-G100 PolarHBondContact O-N 2.85Š|
| 101 | F | 61.9 | Low | 67.9 | Low | 36 Ų | 36 | 67.3 Ų | 67.3 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -8.7 | -177.4 | -141.3 | -107.9 | 0 | 0 | 0 | 113 | I50 F58 F98 P103 A104 A105 | I50-F101 HydrophobicContact CB-CZ 4.45Å; I50-F101 HydrophobicContact CD1-CD1 4.17Å; I50-F101 HydrophobicContact CD1-CE1 3.54Å; I50-F101 HydrophobicContact CD1-CZ 3.91Å; I50-F101 HydrophobicContact CG1-CE1 3.69Å; I50-F101 HydrophobicContact CG1-CZ 3.98Å; I50-F101 HydrophobicContact CG2-CE1 4.31Å; I50-F101 HydrophobicContact CG2-CZ 3.69Å; F58-F101 HydrophobicContact CD1-CD2 4.31Å; F58-F101 AromaticContact CD2-CD2 3.54Å; F58-F101 HydrophobicContact CD2-CD2 3.54Å; F58-F101 AromaticContact CD2-CE2 3.77Å; F58-F101 HydrophobicContact CD2-CE2 3.77Å; F58-F101 HydrophobicContact CE1-CB 4.16Å; F58-F101 HydrophobicContact CE1-CD2 4.02Å; F58-F101 HydrophobicContact CE1-CG 4.2Å; F58-F101 HydrophobicContact CE2-CB 4.08Å; F58-F101 AromaticContact CE2-CD2 3.21Å; F58-F101 HydrophobicContact CE2-CD2 3.21Å; F58-F101 AromaticContact CE2-CE2 3.95Å; F58-F101 HydrophobicContact CE2-CE2 3.95Å; F58-F101 HydrophobicContact CE2-CG 4.01Å; F58-F101 HydrophobicContact CG-CD2 4.1Å; F58-F101 HydrophobicContact CG-CE2 4.13Å; F58-F101 HydrophobicContact CZ-CB 3.56Å; F58-F101 AromaticContact CZ-CD2 3.49Å; F58-F101 HydrophobicContact CZ-CD2 3.49Å; F58-F101 VanDerWaalsContact CZ-CD2 3.49Å; F58-F101 HydrophobicContact CZ-CE2 4.43Å; F58-F101 AromaticContact CZ-CG 3.81Å; F58-F101 HydrophobicContact CZ-CG 3.81Å; F98-F101 HydrophobicContact CD1-CB 4.05Å; F98-F101 HydrophobicContact CD1-CD1 4.41Å; F98-F101 HydrophobicContact CE1-CD1 4.25Å; F98-F101 CarbonylContact O-C 3.58Å; F98-F101 WeakPolarHBondContact O-CA 3.49Å; F98-F101 PolarHBondContact O-N 2.82Å; F101-P103 VanDerWaalsContact C-CD 3.48Å; F101-A104 HydrophobicContact CD1-CB 4.22Å; F101-A104 HydrophobicContact CE1-CB 4.17Å; F101-A104 HydrophobicContact CG-CB 4.4Å; F101-A104 HydrophobicContact CZ-CB 4.35Å; F101-A104 CarbonylContact O-C 3.52Å; F101-A104 WeakPolarHBondContact O-CB 3.41Å; F101-A104 PolarHBondContact O-N 3.37Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.31Å |
| 102 | F | 59.2 | Low | 66.4 | Low | 108 Ų | 108 | 64.9 Ų | 64.9 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -50.6 | -45.1 | 178.8 | -115.8 | -91.9 | 0 | 0 | 0 | 113.5 | F98 A104 A105 V106 | F98-F102 WeakPolarHBondContact O-CD2 3.12Å; F98-F102 PolarHBondContact O-N 3.44Å; F102-A104 VanDerWaalsContact C-N 3.34Å; F102-A104 PolarHBondContact O-N 3.46Å; F102-A105 PolarHBondContact O-N 3.19Å; F102-V106 HydrophobicContact CD1-CG2 4.23Å; F102-V106 WeakPolarHBondContact O-CB 3.39Å; F102-V106 WeakPolarHBondContact O-CG2 3.44Å; F102-V106 PolarHBondContact O-N 2.74Å |
| 103 | P | 57 | Low | 64.4 | Low | 52 Ų | 52 | 64.7 Ų | 64.7 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 177 | -21.6 | 32.7 | 0 | 0 | 0 | 112.8 | F101 G107 | F101-P103 VanDerWaalsContact C-CD 3.48Å; P103-G107 PolarHBondContact O-N 2.84Å |
| 104 | A | 56.6 | Low | 62.9 | Low | 42 Ų | 42 | 72.9 Ų | 72.9 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F101 F102 G107 F108 | F101-A104 HydrophobicContact CD1-CB 4.22Å; F101-A104 HydrophobicContact CE1-CB 4.17Å; F101-A104 HydrophobicContact CG-CB 4.4Å; F101-A104 HydrophobicContact CZ-CB 4.35Å; F101-A104 CarbonylContact O-C 3.52Å; F101-A104 WeakPolarHBondContact O-CB 3.41Å; F101-A104 PolarHBondContact O-N 3.37Å; F102-A104 VanDerWaalsContact C-N 3.34Å; F102-A104 PolarHBondContact O-N 3.46Å; A104-G107 PolarHBondContact O-N 3.03Å; A104-F108 WeakPolarHBondContact O-CD2 3.45Å; A104-F108 PolarHBondContact O-N 3.24Å |
| 105 | A | 57 | Low | 61.3 | Low | 26 Ų | 26 | 73.8 Ų | 73.8 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F101 F102 F108 I109 | F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.31Å; F102-A105 PolarHBondContact O-N 3.19Å; A105-F108 WeakPolarHBondContact O-CB 3.4Å; A105-F108 PolarHBondContact O-N 2.95Å; A105-I109 WeakPolarHBondContact O-CB 3.25Å; A105-I109 VanDerWaalsContact O-CG1 3.27Å; A105-I109 WeakPolarHBondContact O-CG1 3.42Å; A105-I109 PolarHBondContact O-N 2.92Å |
| 106 | V | 56.8 | Low | 59.7 | Low | 26 Ų | 26 | 68 Ų | 68 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F102 F108 I109 R110 V128 | F102-V106 HydrophobicContact CD1-CG2 4.23Å; F102-V106 WeakPolarHBondContact O-CB 3.39Å; F102-V106 WeakPolarHBondContact O-CG2 3.44Å; F102-V106 PolarHBondContact O-N 2.74Å; V106-F108 VanDerWaalsContact C-N 3.27Å; V106-F108 PolarHBondContact O-N 3.14Å; V106-I109 PolarHBondContact O-N 2.79Å; V106-R110 HydrophobicContact CG1-CG 4.49Å; V106-R110 WeakPolarHBondContact O-CB 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.32Å; V106-R110 PolarHBondContact O-N 2.79Å; V106-V128 HydrophobicContact CG1-CG1 3.59Å; V106-V128 HydrophobicContact CG1-CG2 4.48Å |
| 107 | G | 59.4 | Low | 58.4 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -32 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P103 A104 R111 | P103-G107 PolarHBondContact O-N 2.84Å; A104-G107 PolarHBondContact O-N 3.03Å; G107-R111 WeakPolarHBondContact O-CD 3.3Å; G107-R111 VanDerWaalsContact O-CG 3.29Å; G107-R111 WeakPolarHBondContact O-CG 3.37Å; G107-R111 PolarHBondContact O-NE 3.39Å |
| 108 | F | 56.8 | Low | 57.2 | Low | 60 Ų | 60 | 74.4 Ų | 74.4 | 26% | 0.263 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -76.4 | -42.5 | 172.4 | -95.5 | -79.8 | 0 | 0 | 0 | 112.7 | A104 A105 V106 R110 R111 | A104-F108 WeakPolarHBondContact O-CD2 3.45Å; A104-F108 PolarHBondContact O-N 3.24Å; A105-F108 WeakPolarHBondContact O-CB 3.4Å; A105-F108 PolarHBondContact O-N 2.95Å; V106-F108 VanDerWaalsContact C-N 3.27Å; V106-F108 PolarHBondContact O-N 3.14Å; F108-R110 PolarHBondContact O-N 3.05Å; F108-R111 VanDerWaalsContact O-CB 3.32Å; F108-R111 WeakPolarHBondContact O-CB 3.47Å; F108-R111 PolarHBondContact O-N 3.16Å |
| 109 | I | 56.3 | Low | 56.2 | Low | 60 Ų | 60 | 75.1 Ų | 75.1 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 179.4 | -70.1 | 164.3 | 0 | 0 | 0 | 111 | A105 V106 R111 I112 L115 L119 | A105-I109 WeakPolarHBondContact O-CB 3.25Å; A105-I109 VanDerWaalsContact O-CG1 3.27Å; A105-I109 WeakPolarHBondContact O-CG1 3.42Å; A105-I109 PolarHBondContact O-N 2.92Å; V106-I109 PolarHBondContact O-N 2.79Å; I109-R111 PolarHBondContact O-N 3.15Å; I109-R111 VanDerWaalsContact O-N 3.16Å; I109-I112 PolarHBondContact O-N 3.04Å; I109-L115 HydrophobicContact CG2-CB 3.71Å; I109-L115 HydrophobicContact CG2-CD1 4.46Å; I109-L119 HydrophobicContact CB-CD1 4.1Å; I109-L119 HydrophobicContact CG2-CD1 3.15Å |
| 110 | R | 55.2 | Low | 55.3 | Low | 120 Ų | 120 | 72.2 Ų | 72.2 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.2 | 171.6 | -80 | -179.9 | 169.1 | 179.4 | -9 | 113.2 | V106 F108 D129 | V106-R110 HydrophobicContact CG1-CG 4.49Å; V106-R110 WeakPolarHBondContact O-CB 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.32Å; V106-R110 PolarHBondContact O-N 2.79Å; F108-R110 PolarHBondContact O-N 3.05Å; R110-D129 IonicContact NH2-OD1 3.74Å; R110-D129 PolarHBondContact NH2-OD1 2.74Å; R110-D129 VanDerWaalsContact NH2-OD1 3.14Å |
| 111 | R | 54.7 | Low | 55 | Low | 132 Ų | 132 | 74.4 Ų | 74.4 | 50% | 0.498 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -9.5 | 175.9 | -66.3 | 167.9 | -173.4 | -153.3 | -2.4 | 113.4 | G107 F108 I109 | G107-R111 WeakPolarHBondContact O-CD 3.3Å; G107-R111 VanDerWaalsContact O-CG 3.29Å; G107-R111 WeakPolarHBondContact O-CG 3.37Å; G107-R111 PolarHBondContact O-NE 3.39Å; F108-R111 VanDerWaalsContact O-CB 3.32Å; F108-R111 WeakPolarHBondContact O-CB 3.47Å; F108-R111 PolarHBondContact O-N 3.16Å; I109-R111 PolarHBondContact O-N 3.15Å; I109-R111 VanDerWaalsContact O-N 3.16Å |
| 112 | I | 56.9 | Low | 54.5 | Low | 42 Ų | 42 | 78.2 Ų | 78.2 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -93.9 | 112.5 | 175.9 | -57.6 | 168.2 | 0 | 0 | 0 | 107.3 | M12 I109 F114 L115 G116 | M12-I112 HydrophobicContact SD-CD1 3.47Å; M12-I112 WeakPolarHBondContact SD-CD1 3.41Å; M12-I112 HydrophobicContact SD-CG1 4.11Å; I109-I112 PolarHBondContact O-N 3.04Å; I112-F114 PolarHBondContact O-N 3.03Å; I112-L115 HydrophobicContact CB-CB 4.28Å; I112-L115 HydrophobicContact CB-CD1 4.33Å; I112-L115 HydrophobicContact CD1-CD1 3.79Å; I112-L115 HydrophobicContact CG2-CB 4.36Å; I112-L115 HydrophobicContact CG2-CD1 4.13Å; I112-L115 HydrophobicContact CG2-CG 4.46Å; I112-L115 PolarHBondContact O-N 3.5Å; I112-L115 VanDerWaalsContact O-N 3.15Å; I112-G116 PolarHBondContact O-N 3.34Å |
| 113 | P | 46.5 | Very low | 54.3 | Low | 120 Ų | 120 | 82.1 Ų | 82.1 | 78% | 0.779 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.4 | -25.6 | -170.4 | 19.7 | -31 | 0 | 0 | 0 | 114.1 | ||
| 114 | F | 53.8 | Low | 54.1 | Low | 172 Ų | 172 | 82.7 Ų | 82.7 | 75% | 0.754 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -81.9 | -39.4 | 178.2 | -149.7 | -95 | 0 | 0 | 0 | 113.6 | I112 | I112-F114 PolarHBondContact O-N 3.03Å |
| 115 | L | 50.9 | Low | 53.9 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 42% | 0.419 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -83.3 | -27.4 | 177.1 | -73.5 | 158.7 | 0 | 0 | 0 | 112.4 | I109 I112 S117 L118 L119 | I109-L115 HydrophobicContact CG2-CB 3.71Å; I109-L115 HydrophobicContact CG2-CD1 4.46Å; I112-L115 HydrophobicContact CB-CB 4.28Å; I112-L115 HydrophobicContact CB-CD1 4.33Å; I112-L115 HydrophobicContact CD1-CD1 3.79Å; I112-L115 HydrophobicContact CG2-CB 4.36Å; I112-L115 HydrophobicContact CG2-CD1 4.13Å; I112-L115 HydrophobicContact CG2-CG 4.46Å; I112-L115 PolarHBondContact O-N 3.5Å; I112-L115 VanDerWaalsContact O-N 3.15Å; L115-S117 VanDerWaalsContact C-N 3.34Å; L115-L118 PolarHBondContact O-N 2.88Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-L119 VanDerWaalsContact O-N 3.1Å |
| 116 | G | 50.5 | Low | 54 | Low | 16 Ų | 16 | 83.2 Ų | 83.2 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I112 L119 N120 | I112-G116 PolarHBondContact O-N 3.34Å; G116-L119 PolarHBondContact O-N 2.85Å; G116-N120 WeakPolarHBondContact O-CB 3.2Å; G116-N120 PolarHBondContact O-N 3.28Å |
| 117 | S | 53.7 | Low | 54.1 | Low | 90 Ų | 90 | 89.8 Ų | 89.8 | 63% | 0.629 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.9 | -36.1 | 176 | -155.1 | 0 | 0 | 0 | 0 | 112.4 | L115 N120 | L115-S117 VanDerWaalsContact C-N 3.34Å; S117-N120 PolarHBondContact O-N 3.43Å |
| 118 | L | 52.1 | Low | 54.1 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 173.1 | -103.5 | 150.8 | 0 | 0 | 0 | 112.6 | L115 N120 L121 | L115-L118 PolarHBondContact O-N 2.88Å; L118-N120 VanDerWaalsContact C-N 3.35Å; L118-L121 HydrophobicContact CD2-CD1 4.24Å; L118-L121 WeakPolarHBondContact O-CD1 3.12Å |
| 119 | L | 50.7 | Low | 54.3 | Low | 32 Ų | 32 | 90.2 Ų | 90.2 | 17% | 0.168 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -78.5 | -15.4 | 175.7 | -93 | 146.8 | 0 | 0 | 0 | 114.2 | I109 L115 G116 L121 I124 V128 | I109-L119 HydrophobicContact CB-CD1 4.1Å; I109-L119 HydrophobicContact CG2-CD1 3.15Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-L119 VanDerWaalsContact O-N 3.1Å; G116-L119 PolarHBondContact O-N 2.85Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-I124 HydrophobicContact CD2-CG2 3.59Å; L119-I124 HydrophobicContact CG-CG2 4.41Å; L119-V128 HydrophobicContact CD2-CG2 3.75Å |
| 120 | N | 51.7 | Low | 54.4 | Low | 130 Ų | 130 | 94.7 Ų | 94.7 | 70% | 0.695 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 8.7 | 176.7 | -141.7 | 8.2 | 0 | 0 | 0 | 112.6 | G116 S117 L118 | G116-N120 WeakPolarHBondContact O-CB 3.2Å; G116-N120 PolarHBondContact O-N 3.28Å; S117-N120 PolarHBondContact O-N 3.43Å; L118-N120 VanDerWaalsContact C-N 3.35Å |
| 121 | L | 57.6 | Low | 54.6 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -65.8 | 137 | 167.4 | -79.7 | 162.1 | 0 | 0 | 0 | 109.1 | L118 L119 F123 I124 S125 | L118-L121 HydrophobicContact CD2-CD1 4.24Å; L118-L121 WeakPolarHBondContact O-CD1 3.12Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 2.9Å; L121-I124 PolarHBondContact O-N 3.48Å; L121-S125 PolarHBondContact O-N 3.39Å |
| 122 | P | 51.4 | Low | 54.5 | Low | 117 Ų | 117 | 88 Ų | 88 | 76% | 0.76 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -13.3 | -171.4 | 21.9 | -33.2 | 0 | 0 | 0 | 114.5 | S125 | P122-S125 PolarHBondContact O-OG 3.42Š|
| 123 | F | 53.8 | Low | 54.3 | Low | 189 Ų | 189 | 92.6 Ų | 92.6 | 83% | 0.829 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -26.7 | 176.8 | -165.2 | -102.7 | 0 | 0 | 0 | 113.8 | L121 | L121-F123 PolarHBondContact O-N 2.9Š|
| 124 | I | 53.3 | Low | 54.4 | Low | 64 Ų | 64 | 91 Ų | 91 | 33% | 0.328 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -25.3 | -174.1 | -62 | 169.7 | 0 | 0 | 0 | 111.6 | L119 L121 G126 F127 V128 | L119-I124 HydrophobicContact CD2-CG2 3.59Å; L119-I124 HydrophobicContact CG-CG2 4.41Å; L121-I124 PolarHBondContact O-N 3.48Å; I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 2.88Å; I124-F127 PolarHBondContact O-N 3.32Å; I124-V128 HydrophobicContact CG2-CG2 3.97Å; I124-V128 WeakPolarHBondContact O-CG2 3.24Å; I124-V128 PolarHBondContact O-N 2.89Å |
| 125 | S | 52.9 | Low | 54.1 | Low | 31 Ų | 31 | 87.8 Ų | 87.8 | 22% | 0.217 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 178.2 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | L121 P122 F127 V128 D129 | L121-S125 PolarHBondContact O-N 3.39Å; P122-S125 PolarHBondContact O-OG 3.42Å; S125-F127 VanDerWaalsContact C-N 3.35Å; S125-F127 PolarHBondContact O-N 3.17Å; S125-V128 PolarHBondContact O-N 3.18Å; S125-D129 WeakPolarHBondContact O-CB 3.34Å; S125-D129 PolarHBondContact O-N 3.12Å |
| 126 | G | 58.3 | Low | 53.8 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -32.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | I124 K130 | I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 2.88Å; G126-K130 WeakPolarHBondContact O-CB 3.37Å; G126-K130 PolarHBondContact O-N 3.06Å |
| 127 | F | 58.9 | Low | 53.3 | Low | 163 Ų | 163 | 96.7 Ų | 96.7 | 72% | 0.715 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -76.3 | -36.7 | 175.1 | -99.2 | -88.5 | 0 | 0 | 0 | 112 | I124 S125 V131 | I124-F127 PolarHBondContact O-N 3.32Å; S125-F127 VanDerWaalsContact C-N 3.35Å; S125-F127 PolarHBondContact O-N 3.17Å; F127-V131 WeakPolarHBondContact O-CG2 3.47Å; F127-V131 PolarHBondContact O-N 3.28Å |
| 128 | V | 59.3 | Low | 52.6 | Low | 19 Ų | 19 | 102 Ų | 102 | 12% | 0.115 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -71.3 | -39 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | V106 L119 I124 S125 K130 V131 G132 | V106-V128 HydrophobicContact CG1-CG1 3.59Å; V106-V128 HydrophobicContact CG1-CG2 4.48Å; L119-V128 HydrophobicContact CD2-CG2 3.75Å; I124-V128 HydrophobicContact CG2-CG2 3.97Å; I124-V128 WeakPolarHBondContact O-CG2 3.24Å; I124-V128 PolarHBondContact O-N 2.89Å; S125-V128 PolarHBondContact O-N 3.18Å; V128-K130 VanDerWaalsContact C-N 3.34Å; V128-K130 PolarHBondContact O-N 3.01Å; V128-V131 PolarHBondContact O-N 3.38Å; V128-G132 PolarHBondContact O-N 3.25Å |
| 129 | D | 61.2 | Low | 52.6 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.7 | -34.9 | -179.2 | -65.3 | -19.8 | 0 | 0 | 0 | 111.4 | R110 S125 V131 G132 E133 | R110-D129 IonicContact NH2-OD1 3.74Å; R110-D129 PolarHBondContact NH2-OD1 2.74Å; R110-D129 VanDerWaalsContact NH2-OD1 3.14Å; S125-D129 WeakPolarHBondContact O-CB 3.34Å; S125-D129 PolarHBondContact O-N 3.12Å; D129-V131 VanDerWaalsContact C-N 3.33Å; D129-V131 PolarHBondContact O-N 2.83Å; D129-G132 PolarHBondContact O-N 2.9Å; D129-E133 PolarHBondContact O-N 3.06Å |
| 130 | K | 59 | Low | 52.8 | Low | 154 Ų | 154 | 105.9 Ų | 105.9 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.7 | -31.2 | 174.2 | -160.3 | 168 | -174.7 | 167.7 | 0 | 113.7 | G126 V128 S134 | G126-K130 WeakPolarHBondContact O-CB 3.37Å; G126-K130 PolarHBondContact O-N 3.06Å; V128-K130 VanDerWaalsContact C-N 3.34Å; V128-K130 PolarHBondContact O-N 3.01Å; K130-S134 PolarHBondContact O-OG 3.24Å; K130-S134 VanDerWaalsContact O-OG 3.11Å |
| 131 | V | 58.6 | Low | 52.8 | Low | 73 Ų | 73 | 104.6 Ų | 104.6 | 44% | 0.442 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.2 | -29.2 | 174.3 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | F127 V128 D129 N135 | F127-V131 WeakPolarHBondContact O-CG2 3.47Å; F127-V131 PolarHBondContact O-N 3.28Å; V128-V131 PolarHBondContact O-N 3.38Å; D129-V131 VanDerWaalsContact C-N 3.33Å; D129-V131 PolarHBondContact O-N 2.83Å; V131-N135 PolarHBondContact O-ND2 3.37Å; V131-N135 VanDerWaalsContact O-ND2 3.12Å |
| 132 | G | 54.2 | Low | 52.5 | Low | 39 Ų | 39 | 105.5 Ų | 105.5 | 40% | 0.402 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.5 | -48.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | V128 D129 S134 N135 | V128-G132 PolarHBondContact O-N 3.25Å; D129-G132 PolarHBondContact O-N 2.9Å; G132-S134 VanDerWaalsContact C-N 3.26Å; G132-S134 PolarHBondContact O-N 3.17Å; G132-N135 PolarHBondContact O-N 3.22Å; G132-N135 VanDerWaalsContact O-N 3.12Å |
| 133 | E | 52.9 | Low | 52.6 | Low | 137 Ų | 137 | 104.8 Ų | 104.8 | 64% | 0.64 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -30.7 | -179.9 | -96.3 | -174.1 | 143.2 | 0 | 0 | 113.5 | D129 N135 T136 | D129-E133 PolarHBondContact O-N 3.06Å; E133-N135 PolarHBondContact O-N 3.46Å; E133-T136 PolarHBondContact O-N 3.14Å; E133-T136 PolarHBondContact O-OG1 2.83Å |
| 134 | S | 48.3 | Very low | 52.5 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -12.3 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | K130 G132 | K130-S134 PolarHBondContact O-OG 3.24Å; K130-S134 VanDerWaalsContact O-OG 3.11Å; G132-S134 VanDerWaalsContact C-N 3.26Å; G132-S134 PolarHBondContact O-N 3.17Å |
| 135 | N | 46.3 | Very low | 52.5 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -2.6 | 175.9 | -77 | -76.4 | 0 | 0 | 0 | 113.7 | V131 G132 E133 | V131-N135 PolarHBondContact O-ND2 3.37Å; V131-N135 VanDerWaalsContact O-ND2 3.12Å; G132-N135 PolarHBondContact O-N 3.22Å; G132-N135 VanDerWaalsContact O-N 3.12Å; E133-N135 PolarHBondContact O-N 3.46Å |
| 136 | T | 44.9 | Very low | 52.4 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -106 | -0.7 | -179.2 | 34.1 | 0 | 0 | 0 | 0 | 114.4 | E133 | E133-T136 PolarHBondContact O-N 3.14Å; E133-T136 PolarHBondContact O-OG1 2.83Å |
| 137 | M | 41 | Very low | 51.9 | Low | 170 Ų | 170 | 112 Ų | 112 | 84% | 0.837 | 61% | 0.612 | S | S | * | * | trans | -112.1 | 30.9 | 178.9 | -67.8 | -150.6 | -69.3 | 0 | 0 | 114.4 | ||||
| 138 | V | 38.6 | Very low | 51.3 | Low | 203 Ų | 203 | 107.4 Ų | 107.4 | 100% | 1.23 | 60% | 0.603 | S | S | * | * | trans | -130.6 | 0 | 165.9 | -172.3 | 0 | 0 | 0 | 0 | 110 |
Retrieved 138 of 138 residues in 505.2 ms
(Link to these results)