| 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 | 39.4 | Very low | 56.3 | Low | 224 Ų | 224 | 108.5 Ų | 108.5 | 100% | 1.103 | 59% | 0.594 | S | S | * | * | 0 | 101.6 | 0 | -156.4 | 179.8 | -64.6 | 0 | 0 | 106.3 | S3 | M1-S3 PolarHBondContact O-N 3.31Š| |||
| 2 | V | 35.2 | Very low | 57.9 | Low | 143 Ų | 143 | 99.6 Ų | 99.6 | 87% | 0.867 | 55% | 0.546 | S | S | * | . | trans | -65.9 | 89.2 | -172.7 | -174 | 0 | 0 | 0 | 0 | 108.1 | C4 | V2-C4 HydrophobicContact CG1-CB 4.41Å; V2-C4 PolarHBondContact O-N 3.14Å | ||
| 3 | S | 46.1 | Very low | 59.3 | Low | 67 Ų | 67 | 95.5 Ų | 95.5 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | trans | -73.4 | 77.4 | 169.3 | -73.8 | 0 | 0 | 0 | 0 | 106.7 | M1 L5 | M1-S3 PolarHBondContact O-N 3.31Å; S3-L5 PolarHBondContact O-N 3.41Å | ||
| 4 | C | 46.2 | Very low | 60.9 | Low | 84 Ų | 84 | 93.3 Ų | 93.3 | 57% | 0.568 | 53% | 0.526 | S | S | * | . | trans | -74.5 | 66 | 165.9 | -155.8 | 0 | 0 | 0 | 0 | 107.8 | V2 F6 | V2-C4 HydrophobicContact CG1-CB 4.41Å; V2-C4 PolarHBondContact O-N 3.14Å; C4-F6 PolarHBondContact O-N 3.46Å | ||
| 5 | L | 53.4 | Low | 62.2 | Low | 57 Ų | 57 | 88.4 Ų | 88.4 | 30% | 0.298 | 51% | 0.505 | S | S | . | . | trans | -80.1 | 73.3 | 175.1 | -144.4 | 94.2 | 0 | 0 | 0 | 106.4 | S3 C7 L92 K96 | S3-L5 PolarHBondContact O-N 3.41Å; L5-C7 VanDerWaalsContact C-N 3.26Å; L5-L92 HydrophobicContact CD1-CB 4.29Å; L5-K96 HydrophobicContact CD2-CD 4.48Å | ||
| 6 | F | 55.7 | Low | 63.5 | Low | 186 Ų | 186 | 85.1 Ų | 85.1 | 82% | 0.816 | 49% | 0.485 | S | S | * | . | trans | -80 | -13.9 | -173.9 | -142.3 | -91.3 | 0 | 0 | 0 | 112.2 | C4 | C4-F6 PolarHBondContact O-N 3.46Š| ||
| 7 | C | 60.6 | Low | 65 | Low | 27 Ų | 27 | 86 Ų | 86 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -134.7 | 127.7 | -167.1 | -152.9 | 0 | 0 | 0 | 0 | 110.6 | L5 L11 | L5-C7 VanDerWaalsContact C-N 3.26Å; C7-L11 WeakPolarHBondContact SG-CB 3.47Å; C7-L11 WeakPolarHBondContact SG-CD2 3.36Å; C7-L11 WeakPolarHBondContact SG-CG 3.33Å |
| 8 | G | 67.6 | Low | 66.3 | Low | 38 Ų | 38 | 86.4 Ų | 86.4 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | trans | -68.8 | 161.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K10 L11 A12 | G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 3.42Å; G8-K10 VanDerWaalsContact O-N 3.11Å; G8-L11 PolarHBondContact O-N 2.98Å; G8-A12 PolarHBondContact O-N 3.36Å | ||
| 9 | P | 68.9 | Low | 67.4 | Low | 67 Ų | 67 | 82 Ų | 82 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.4 | -34.9 | -172.5 | 18.3 | -30.5 | 0 | 0 | 0 | 114.2 | A13 N93 | P9-A13 PolarHBondContact O-N 3.45Å; P9-N93 WeakPolarHBondContact CB-ND2 3.23Å; P9-N93 VanDerWaalsContact CG-ND2 3.33Å; P9-N93 WeakPolarHBondContact CG-ND2 3.25Å |
| 10 | K | 72.2 | Confident | 68.5 | Low | 188 Ų | 188 | 82.5 Ų | 82.5 | 82% | 0.817 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.1 | -39.4 | 178 | -67.1 | -169.1 | 165.8 | 83.6 | 0 | 112.8 | G8 C14 | G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 3.42Å; G8-K10 VanDerWaalsContact O-N 3.11Å; K10-C14 PolarHBondContact O-N 3.02Å |
| 11 | L | 74 | Confident | 69.8 | Low | 113 Ų | 113 | 87.8 Ų | 87.8 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.7 | -34.9 | -179.7 | -171.5 | 67.2 | 0 | 0 | 0 | 110.9 | C7 G8 C14 G15 | C7-L11 WeakPolarHBondContact SG-CB 3.47Å; C7-L11 WeakPolarHBondContact SG-CD2 3.36Å; C7-L11 WeakPolarHBondContact SG-CG 3.33Å; G8-L11 PolarHBondContact O-N 2.98Å; L11-C14 PolarHBondContact O-N 3.39Å; L11-G15 PolarHBondContact O-N 3.16Å |
| 12 | A | 76.1 | Confident | 72.2 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.008 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G8 G15 I16 I90 | G8-A12 PolarHBondContact O-N 3.36Å; A12-G15 PolarHBondContact O-N 3.38Å; A12-I16 WeakPolarHBondContact O-CG1 3.42Å; A12-I16 PolarHBondContact O-N 3.22Å; A12-I16 VanDerWaalsContact O-N 3.15Å; A12-I90 HydrophobicContact CB-CD1 4.23Å; A12-I90 HydrophobicContact CB-CG1 3.7Å |
| 13 | A | 75.8 | Confident | 75 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | P9 G15 I16 V17 | P9-A13 PolarHBondContact O-N 3.45Å; A13-G15 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.06Å; A13-I16 PolarHBondContact O-N 3.08Å; A13-V17 PolarHBondContact O-N 3.45Å |
| 14 | C | 81.9 | Confident | 77.3 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 43% | 0.432 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | K10 L11 I16 V17 I18 | K10-C14 PolarHBondContact O-N 3.02Å; L11-C14 PolarHBondContact O-N 3.39Å; C14-I16 VanDerWaalsContact C-N 3.31Å; C14-I16 PolarHBondContact O-N 3.47Å; C14-V17 PolarHBondContact O-N 3.32Å; C14-I18 WeakPolarHBondContact O-CG1 3.04Å; C14-I18 PolarHBondContact O-N 3.13Å |
| 15 | G | 80.4 | Confident | 79.5 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.7 | -34.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L11 A12 A13 S19 | L11-G15 PolarHBondContact O-N 3.16Å; A12-G15 PolarHBondContact O-N 3.38Å; A13-G15 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.06Å; G15-S19 VanDerWaalsContact O-CB 3.24Å; G15-S19 WeakPolarHBondContact O-CB 3.31Å; G15-S19 PolarHBondContact O-N 3.23Å; G15-S19 PolarHBondContact O-OG 2.98Å |
| 16 | I | 82.8 | Confident | 81.4 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 18% | 0.179 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 175.5 | -68.5 | 175.3 | 0 | 0 | 0 | 111.1 | A12 A13 C14 I18 S19 I20 F87 I90 | A12-I16 WeakPolarHBondContact O-CG1 3.42Å; A12-I16 PolarHBondContact O-N 3.22Å; A12-I16 VanDerWaalsContact O-N 3.15Å; A13-I16 PolarHBondContact O-N 3.08Å; C14-I16 VanDerWaalsContact C-N 3.31Å; C14-I16 PolarHBondContact O-N 3.47Å; I16-I18 PolarHBondContact O-N 2.86Å; I16-S19 PolarHBondContact O-N 3.33Å; I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.3Å; I16-F87 HydrophobicContact CD1-CB 4.33Å; I16-I90 HydrophobicContact CD1-CD1 3.4Å |
| 17 | V | 88.2 | Confident | 83.1 | Confident | 101 Ų | 101 | 65.6 Ų | 65.6 | 61% | 0.612 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | A13 C14 S19 I20 W21 | A13-V17 PolarHBondContact O-N 3.45Å; C14-V17 PolarHBondContact O-N 3.32Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.88Å; V17-I20 PolarHBondContact O-N 3.27Å; V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 2.93Å |
| 18 | I | 88.1 | Confident | 84.5 | Confident | 93 Ų | 93 | 69 Ų | 69 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.4 | -65.2 | 173.5 | 0 | 0 | 0 | 110.7 | C14 I16 W21 G22 | C14-I18 WeakPolarHBondContact O-CG1 3.04Å; C14-I18 PolarHBondContact O-N 3.13Å; I16-I18 PolarHBondContact O-N 2.86Å; I18-W21 PolarHBondContact O-N 3.24Å; I18-G22 PolarHBondContact O-N 2.96Å |
| 19 | S | 88.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | G15 I16 V17 W21 G22 V23 | G15-S19 VanDerWaalsContact O-CB 3.24Å; G15-S19 WeakPolarHBondContact O-CB 3.31Å; G15-S19 PolarHBondContact O-N 3.23Å; G15-S19 PolarHBondContact O-OG 2.98Å; I16-S19 PolarHBondContact O-N 3.33Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.88Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-W21 PolarHBondContact O-N 2.88Å; S19-G22 PolarHBondContact O-N 2.74Å; S19-V23 VanDerWaalsContact O-CG2 3.26Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.4Å |
| 20 | I | 89.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.7 | -68.6 | 166.9 | 0 | 0 | 0 | 110.3 | I16 V17 G22 V23 I24 | I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.3Å; V17-I20 PolarHBondContact O-N 3.27Å; I20-G22 PolarHBondContact O-N 3.39Å; I20-V23 PolarHBondContact O-N 3.39Å; I20-I24 HydrophobicContact CG2-CD1 4Å; I20-I24 WeakPolarHBondContact O-CG1 3.33Å; I20-I24 PolarHBondContact O-N 2.92Å; I20-I24 VanDerWaalsContact O-N 3.16Å |
| 21 | W | 94.2 | Very high | 87.5 | Confident | 194 Ų | 194 | 61.3 Ų | 61.3 | 74% | 0.735 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.1 | -48.5 | 175.6 | 177.7 | -93.5 | 0 | 0 | 0 | 111.9 | V17 I18 S19 V23 I24 M25 | V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 2.93Å; I18-W21 PolarHBondContact O-N 3.24Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-W21 PolarHBondContact O-N 2.88Å; W21-V23 PolarHBondContact O-N 3.22Å; W21-I24 PolarHBondContact O-N 2.99Å; W21-M25 WeakPolarHBondContact O-CB 3.47Å; W21-M25 PolarHBondContact O-N 3.06Å; W21-M25 VanDerWaalsContact O-N 3.08Å |
| 22 | G | 91.2 | Very high | 88.2 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I18 S19 I20 I24 M25 L26 | I18-G22 PolarHBondContact O-N 2.96Å; S19-G22 PolarHBondContact O-N 2.74Å; I20-G22 PolarHBondContact O-N 3.39Å; G22-I24 PolarHBondContact O-N 2.84Å; G22-M25 PolarHBondContact O-N 3.13Å; G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.32Å; G22-L26 WeakPolarHBondContact O-CD1 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 3.22Å |
| 23 | V | 93.6 | Very high | 88.7 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 22% | 0.218 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | S19 I20 W21 A27 V80 | S19-V23 VanDerWaalsContact O-CG2 3.26Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.4Å; I20-V23 PolarHBondContact O-N 3.39Å; W21-V23 PolarHBondContact O-N 3.22Å; V23-A27 WeakPolarHBondContact O-CB 3.31Å; V23-A27 PolarHBondContact O-N 3.41Å; V23-V80 HydrophobicContact CG1-CG2 4.08Å; V23-V80 HydrophobicContact CG2-CG2 3.63Å |
| 24 | I | 93.9 | Very high | 89.1 | Confident | 97 Ų | 97 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -48.1 | -178.1 | -65.8 | 166.9 | 0 | 0 | 0 | 110.3 | I20 W21 G22 M28 | I20-I24 HydrophobicContact CG2-CD1 4Å; I20-I24 WeakPolarHBondContact O-CG1 3.33Å; I20-I24 PolarHBondContact O-N 2.92Å; I20-I24 VanDerWaalsContact O-N 3.16Å; W21-I24 PolarHBondContact O-N 2.99Å; G22-I24 PolarHBondContact O-N 2.84Å; I24-M28 HydrophobicContact CG2-SD 4.26Å; I24-M28 WeakPolarHBondContact O-CB 3.47Å; I24-M28 WeakPolarHBondContact O-CG 3.48Å; I24-M28 PolarHBondContact O-N 2.95Å |
| 25 | M | 92.9 | Very high | 89.3 | Confident | 97 Ų | 97 | 62 Ų | 62 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | -178 | -175.6 | -98.1 | -173.1 | 0 | 0 | 112 | W21 G22 M28 L29 | W21-M25 WeakPolarHBondContact O-CB 3.47Å; W21-M25 PolarHBondContact O-N 3.06Å; W21-M25 VanDerWaalsContact O-N 3.08Å; G22-M25 PolarHBondContact O-N 3.13Å; M25-M28 PolarHBondContact O-N 3.16Å; M25-L29 HydrophobicContact CE-CD1 3.48Å; M25-L29 VanDerWaalsContact CE-CD1 3.48Å; M25-L29 WeakPolarHBondContact O-CG 3.38Å; M25-L29 PolarHBondContact O-N 2.92Å; M25-L29 HydrophobicContact SD-CD1 3.67Å |
| 26 | L | 92.2 | Very high | 89.4 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 179.7 | -75.3 | 159.6 | 0 | 0 | 0 | 112.9 | G22 G30 C72 A75 A76 Y79 | G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.32Å; G22-L26 WeakPolarHBondContact O-CD1 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 3.22Å; L26-G30 PolarHBondContact O-N 2.93Å; L26-C72 HydrophobicContact CD2-CB 4.37Å; L26-A75 HydrophobicContact CD1-CB 4Å; L26-A75 HydrophobicContact CD2-CB 4.16Å; L26-A76 HydrophobicContact CB-CB 3.88Å; L26-Y79 HydrophobicContact CD1-CD2 3.41Å; L26-Y79 VanDerWaalsContact CD1-CD2 3.41Å; L26-Y79 HydrophobicContact CD1-CE2 3.44Å; L26-Y79 VanDerWaalsContact CD1-CE2 3.44Å |
| 27 | A | 91.7 | Very high | 89.3 | Confident | 29 Ų | 29 | 64 Ų | 64 | 24% | 0.24 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V23 G30 I31 | V23-A27 WeakPolarHBondContact O-CB 3.31Å; V23-A27 PolarHBondContact O-N 3.41Å; A27-G30 PolarHBondContact O-N 3.29Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.49Å; A27-I31 PolarHBondContact O-N 3.32Å |
| 28 | M | 91.4 | Very high | 88.8 | Confident | 99 Ų | 99 | 63 Ų | 63 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 174.4 | -78.1 | 179.7 | 48.6 | 0 | 0 | 111.8 | I24 M25 G30 I31 F32 | I24-M28 HydrophobicContact CG2-SD 4.26Å; I24-M28 WeakPolarHBondContact O-CB 3.47Å; I24-M28 WeakPolarHBondContact O-CG 3.48Å; I24-M28 PolarHBondContact O-N 2.95Å; M25-M28 PolarHBondContact O-N 3.16Å; M28-G30 PolarHBondContact O-N 2.85Å; M28-I31 PolarHBondContact O-N 3.37Å; M28-F32 HydrophobicContact CB-CE2 4.34Å; M28-F32 HydrophobicContact CE-CE2 4.08Å; M28-F32 HydrophobicContact CE-CZ 4.48Å; M28-F32 WeakPolarHBondContact O-CD2 3.13Å; M28-F32 WeakPolarHBondContact O-CG 3.31Å; M28-F32 PolarHBondContact O-N 2.99Å |
| 29 | L | 89.9 | Confident | 88.6 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.5 | -78.9 | 174 | 0 | 0 | 0 | 112 | M25 I31 F32 F33 L40 | M25-L29 HydrophobicContact CE-CD1 3.48Å; M25-L29 VanDerWaalsContact CE-CD1 3.48Å; M25-L29 WeakPolarHBondContact O-CG 3.38Å; M25-L29 PolarHBondContact O-N 2.92Å; M25-L29 HydrophobicContact SD-CD1 3.67Å; L29-I31 VanDerWaalsContact C-N 3.3Å; L29-I31 PolarHBondContact O-N 3.44Å; L29-F32 PolarHBondContact O-N 3.11Å; L29-F32 VanDerWaalsContact O-N 3.15Å; L29-F33 HydrophobicContact CB-CD2 4.42Å; L29-F33 HydrophobicContact CB-CE2 4.37Å; L29-F33 HydrophobicContact CD2-CE2 4.39Å; L29-F33 WeakPolarHBondContact O-CD2 3.26Å; L29-F33 PolarHBondContact O-N 3.03Å; L29-L40 HydrophobicContact CD2-CD2 4.06Å |
| 30 | G | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.4 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L26 A27 M28 F33 T34 F73 | L26-G30 PolarHBondContact O-N 2.93Å; A27-G30 PolarHBondContact O-N 3.29Å; M28-G30 PolarHBondContact O-N 2.85Å; G30-F33 PolarHBondContact O-N 3.42Å; G30-T34 WeakPolarHBondContact O-CG2 3.41Å; G30-T34 PolarHBondContact O-N 3.47Å; G30-T34 PolarHBondContact O-OG1 3.06Å; G30-F73 VanDerWaalsContact C-CE2 3.45Å; G30-F73 VanDerWaalsContact C-CZ 3.48Å; G30-F73 WeakPolarHBondContact O-CE2 3.38Å |
| 31 | I | 90.2 | Very high | 87.6 | Confident | 87 Ų | 87 | 64.6 Ų | 64.6 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 176 | -65.1 | 163.4 | 0 | 0 | 0 | 110.4 | A27 M28 L29 F33 T34 T35 F73 | A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.49Å; A27-I31 PolarHBondContact O-N 3.32Å; M28-I31 PolarHBondContact O-N 3.37Å; L29-I31 VanDerWaalsContact C-N 3.3Å; L29-I31 PolarHBondContact O-N 3.44Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.02Å; I31-T34 WeakPolarHBondContact CA-OG1 3.24Å; I31-T34 PolarHBondContact O-N 3.45Å; I31-T34 VanDerWaalsContact O-N 3.11Å; I31-T34 PolarHBondContact O-OG1 3.39Å; I31-T35 HydrophobicContact CG2-CG2 4.48Å; I31-T35 PolarHBondContact O-N 2.9Å; I31-T35 PolarHBondContact O-OG1 2.7Å; I31-F73 HydrophobicContact CG1-CE1 4.34Å; I31-F73 HydrophobicContact CG1-CZ 3.92Å |
| 32 | F | 88.7 | Confident | 86.8 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -34.1 | -179.8 | -65.9 | -42.9 | 0 | 0 | 0 | 113.8 | M28 L29 T35 H36 S37 L40 | M28-F32 HydrophobicContact CB-CE2 4.34Å; M28-F32 HydrophobicContact CE-CE2 4.08Å; M28-F32 HydrophobicContact CE-CZ 4.48Å; M28-F32 WeakPolarHBondContact O-CD2 3.13Å; M28-F32 WeakPolarHBondContact O-CG 3.31Å; M28-F32 PolarHBondContact O-N 2.99Å; L29-F32 PolarHBondContact O-N 3.11Å; L29-F32 VanDerWaalsContact O-N 3.15Å; F32-T35 WeakPolarHBondContact CA-OG1 3.33Å; F32-T35 PolarHBondContact O-OG1 3.49Å; F32-T35 VanDerWaalsContact O-OG1 3.13Å; F32-H36 PolarHBondContact O-N 2.89Å; F32-S37 PolarHBondContact O-N 3.4Å; F32-L40 HydrophobicContact CB-CD2 3.96Å |
| 33 | F | 86.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.035 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 172.8 | -80.1 | -65.3 | 0 | 0 | 0 | 112.1 | L29 G30 I31 T35 H36 L40 D43 V44 Y65 V68 | L29-F33 HydrophobicContact CB-CD2 4.42Å; L29-F33 HydrophobicContact CB-CE2 4.37Å; L29-F33 HydrophobicContact CD2-CE2 4.39Å; L29-F33 WeakPolarHBondContact O-CD2 3.26Å; L29-F33 PolarHBondContact O-N 3.03Å; G30-F33 PolarHBondContact O-N 3.42Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.02Å; F33-T35 VanDerWaalsContact C-N 3.34Å; F33-T35 PolarHBondContact O-N 3.49Å; F33-H36 PolarHBondContact O-N 3.35Å; F33-H36 PolarHBondContact O-ND1 3.16Å; F33-L40 HydrophobicContact CD1-CB 4.22Å; F33-L40 HydrophobicContact CD1-CD2 3.71Å; F33-L40 HydrophobicContact CD1-CG 4.36Å; F33-L40 HydrophobicContact CD2-CD2 3.59Å; F33-L40 HydrophobicContact CE1-CB 3.76Å; F33-L40 HydrophobicContact CE1-CD2 3.49Å; F33-L40 VanDerWaalsContact CE1-CD2 3.49Å; F33-L40 HydrophobicContact CE1-CG 3.75Å; F33-L40 HydrophobicContact CE2-CD2 3.36Å; F33-L40 HydrophobicContact CE2-CG 4.17Å; F33-L40 HydrophobicContact CG-CD2 3.73Å; F33-L40 HydrophobicContact CZ-CB 4.18Å; F33-L40 HydrophobicContact CZ-CD2 3.3Å; F33-L40 HydrophobicContact CZ-CG 3.63Å; F33-D43 HydrophobicContact CE1-CB 4.33Å; F33-D43 HydrophobicContact CZ-CB 3.96Å; F33-V44 HydrophobicContact CD1-CG2 4.22Å; F33-V44 HydrophobicContact CE1-CG2 3.84Å; F33-Y65 AromaticContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CE1 4.21Å; F33-V68 HydrophobicContact CD1-CB 4.26Å; F33-V68 HydrophobicContact CD1-CG1 4.02Å; F33-V68 HydrophobicContact CD2-CG1 3.97Å; F33-V68 HydrophobicContact CE1-CB 4.4Å; F33-V68 HydrophobicContact CE1-CG1 3.81Å; F33-V68 HydrophobicContact CE2-CG1 3.76Å; F33-V68 HydrophobicContact CG-CB 4.48Å; F33-V68 HydrophobicContact CG-CG1 4.12Å; F33-V68 HydrophobicContact CZ-CG1 3.69Å |
| 34 | T | 84.1 | Confident | 85.8 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.1 | -25.6 | 176.3 | 56.5 | 0 | 0 | 0 | 0 | 114 | G30 I31 F73 | G30-T34 WeakPolarHBondContact O-CG2 3.41Å; G30-T34 PolarHBondContact O-N 3.47Å; G30-T34 PolarHBondContact O-OG1 3.06Å; I31-T34 WeakPolarHBondContact CA-OG1 3.24Å; I31-T34 PolarHBondContact O-N 3.45Å; I31-T34 VanDerWaalsContact O-N 3.11Å; I31-T34 PolarHBondContact O-OG1 3.39Å; T34-F73 HydrophobicContact CG2-CE2 3.79Å |
| 35 | T | 86.1 | Confident | 85 | Confident | 84 Ų | 84 | 67 Ų | 67 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.1 | 172.4 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | I31 F32 F33 S37 | I31-T35 HydrophobicContact CG2-CG2 4.48Å; I31-T35 PolarHBondContact O-N 2.9Å; I31-T35 PolarHBondContact O-OG1 2.7Å; F32-T35 WeakPolarHBondContact CA-OG1 3.33Å; F32-T35 PolarHBondContact O-OG1 3.49Å; F32-T35 VanDerWaalsContact O-OG1 3.13Å; F33-T35 VanDerWaalsContact C-N 3.34Å; F33-T35 PolarHBondContact O-N 3.49Å; T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 2.89Å |
| 36 | H | 82.4 | Confident | 84.2 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 44.9 | 178.9 | -52.6 | -49.4 | 0 | 0 | 0 | 113.5 | F32 F33 A38 Y62 Y65 N66 | F32-H36 PolarHBondContact O-N 2.89Å; F33-H36 PolarHBondContact O-N 3.35Å; F33-H36 PolarHBondContact O-ND1 3.16Å; H36-A38 PolarHBondContact O-N 3.28Å; H36-Y62 HydrophobicContact CB-CD1 3.96Å; H36-Y62 HydrophobicContact CB-CE1 3.81Å; H36-Y62 AromaticContact CD2-CD1 3.26Å; H36-Y62 WeakPolarHBondContact CD2-CD1 3.24Å; H36-Y62 AromaticContact CD2-CE1 3.56Å; H36-Y62 AromaticContact CE1-CD1 3.67Å; H36-Y62 PolarHBondContact CE1-O 3.11Å; H36-Y62 AromaticContact CG-CD1 3.36Å; H36-Y62 AromaticContact CG-CE1 3.66Å; H36-Y62 AromaticContact ND1-CD1 3.62Å; H36-Y62 AromaticContact NE2-CD1 3.46Å; H36-Y62 WeakPolarHBondContact NE2-CD1 3.31Å; H36-Y62 AromaticContact NE2-CG 3.94Å; H36-Y65 VanDerWaalsContact ND1-CB 3.27Å; H36-Y65 WeakPolarHBondContact ND1-CB 3.39Å; H36-Y65 AromaticContact ND1-CG 3.75Å; H36-N66 PolarHBondContact CE1-OD1 3.31Å; H36-N66 VanDerWaalsContact CE1-OD1 3.29Å |
| 37 | S | 82.1 | Confident | 83.4 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | trans | -63.9 | 126.7 | -179.8 | -79.7 | 0 | 0 | 0 | 0 | 112.2 | F32 T35 V39 L40 Y65 | F32-S37 PolarHBondContact O-N 3.4Å; T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 2.89Å; S37-V39 PolarHBondContact O-N 3.44Å; S37-V39 VanDerWaalsContact O-N 3.13Å; S37-L40 PolarHBondContact O-N 3.22Å; S37-Y65 PolarHBondContact O-OH 3.34Å | ||
| 38 | A | 76.9 | Confident | 82 | Confident | 80 Ų | 80 | 77 Ų | 77 | 66% | 0.661 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H36 L40 I41 | H36-A38 PolarHBondContact O-N 3.28Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.97Å; A38-I41 WeakPolarHBondContact O-CB 3.38Å; A38-I41 WeakPolarHBondContact O-CG2 3.49Å; A38-I41 PolarHBondContact O-N 3.49Å |
| 39 | V | 83.5 | Confident | 80.6 | Confident | 127 Ų | 127 | 78 Ų | 78 | 77% | 0.77 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -65.3 | -28.9 | 174.7 | 156.1 | 0 | 0 | 0 | 0 | 112.5 | S37 I41 | S37-V39 PolarHBondContact O-N 3.44Å; S37-V39 VanDerWaalsContact O-N 3.13Å; V39-I41 VanDerWaalsContact C-N 3.31Å |
| 40 | L | 80.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 8% | 0.084 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -94.8 | 14 | -175.6 | -108.6 | 60.2 | 0 | 0 | 0 | 112.7 | L29 F32 F33 S37 A38 E42 D43 Y65 | L29-L40 HydrophobicContact CD2-CD2 4.06Å; F32-L40 HydrophobicContact CB-CD2 3.96Å; F33-L40 HydrophobicContact CD1-CB 4.22Å; F33-L40 HydrophobicContact CD1-CD2 3.71Å; F33-L40 HydrophobicContact CD1-CG 4.36Å; F33-L40 HydrophobicContact CD2-CD2 3.59Å; F33-L40 HydrophobicContact CE1-CB 3.76Å; F33-L40 HydrophobicContact CE1-CD2 3.49Å; F33-L40 VanDerWaalsContact CE1-CD2 3.49Å; F33-L40 HydrophobicContact CE1-CG 3.75Å; F33-L40 HydrophobicContact CE2-CD2 3.36Å; F33-L40 HydrophobicContact CE2-CG 4.17Å; F33-L40 HydrophobicContact CG-CD2 3.73Å; F33-L40 HydrophobicContact CZ-CB 4.18Å; F33-L40 HydrophobicContact CZ-CD2 3.3Å; F33-L40 HydrophobicContact CZ-CG 3.63Å; S37-L40 PolarHBondContact O-N 3.22Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.97Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.06Å; L40-D43 PolarHBondContact O-N 3.22Å; L40-Y65 HydrophobicContact CB-CE1 4.37Å |
| 41 | I | 78 | Confident | 77.9 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -65.2 | -41.1 | -176.6 | -148.7 | 157.5 | 0 | 0 | 0 | 110.4 | A38 V39 D43 V44 F46 Y65 | A38-I41 WeakPolarHBondContact O-CB 3.38Å; A38-I41 WeakPolarHBondContact O-CG2 3.49Å; A38-I41 PolarHBondContact O-N 3.49Å; V39-I41 VanDerWaalsContact C-N 3.31Å; I41-D43 PolarHBondContact O-N 3.31Å; I41-V44 PolarHBondContact O-N 3.33Å; I41-V44 VanDerWaalsContact O-N 3.09Å; I41-F46 HydrophobicContact CB-CE2 4.34Å; I41-F46 HydrophobicContact CB-CZ 4.31Å; I41-F46 HydrophobicContact CD1-CZ 4.37Å; I41-F46 HydrophobicContact CG1-CE1 4.48Å; I41-F46 HydrophobicContact CG1-CE2 3.53Å; I41-F46 HydrophobicContact CG1-CZ 3.32Å; I41-F46 WeakPolarHBondContact O-CE2 3.48Å; I41-F46 VanDerWaalsContact O-CZ 3.25Å; I41-F46 WeakPolarHBondContact O-CZ 3.45Å; I41-Y65 WeakPolarHBondContact CA-OH 3.42Å; I41-Y65 VanDerWaalsContact CB-OH 3.3Å; I41-Y65 WeakPolarHBondContact CB-OH 3.36Å; I41-Y65 WeakPolarHBondContact CG1-OH 3.46Å; I41-Y65 PolarHBondContact N-OH 3.29Å |
| 42 | E | 76.4 | Confident | 76.5 | Confident | 183 Ų | 183 | 88.7 Ų | 88.7 | 86% | 0.855 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -64.7 | -23.2 | -179.4 | -58.9 | -174.8 | 152.4 | 0 | 0 | 113.8 | L40 | L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.06Å |
| 43 | D | 82.5 | Confident | 75 | Confident | 110 Ų | 110 | 90.2 Ų | 90.2 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -84.6 | -13.9 | 178.4 | -68.2 | -48.4 | 0 | 0 | 0 | 113.1 | F33 L40 I41 | F33-D43 HydrophobicContact CE1-CB 4.33Å; F33-D43 HydrophobicContact CZ-CB 3.96Å; L40-D43 PolarHBondContact O-N 3.22Å; I41-D43 PolarHBondContact O-N 3.31Å |
| 44 | V | 81.2 | Confident | 73.4 | Confident | 5 Ų | 5 | 96.8 Ų | 96.8 | 3% | 0.03 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -86.5 | 126.1 | 179 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | F33 I41 F46 L64 Y65 | F33-V44 HydrophobicContact CD1-CG2 4.22Å; F33-V44 HydrophobicContact CE1-CG2 3.84Å; I41-V44 PolarHBondContact O-N 3.33Å; I41-V44 VanDerWaalsContact O-N 3.09Å; V44-F46 VanDerWaalsContact C-N 3.31Å; V44-F46 HydrophobicContact CB-CD1 4.49Å; V44-F46 HydrophobicContact CB-CE1 3.74Å; V44-F46 HydrophobicContact CB-CE2 4.19Å; V44-F46 HydrophobicContact CB-CZ 3.52Å; V44-F46 HydrophobicContact CG1-CD1 3.92Å; V44-F46 HydrophobicContact CG1-CE1 3.36Å; V44-F46 HydrophobicContact CG1-CZ 3.74Å; V44-F46 HydrophobicContact CG2-CZ 4.45Å; V44-F46 WeakPolarHBondContact O-CD2 3.46Å; V44-F46 PolarHBondContact O-N 3.32Å; V44-L64 HydrophobicContact CG1-CB 3.85Å; V44-L64 HydrophobicContact CG1-CD2 3.79Å; V44-L64 HydrophobicContact CG1-CG 4.1Å; V44-Y65 HydrophobicContact CG2-CD1 4.06Å; V44-Y65 HydrophobicContact CG2-CD2 4.04Å; V44-Y65 HydrophobicContact CG2-CE1 3.96Å; V44-Y65 HydrophobicContact CG2-CE2 3.94Å; V44-Y65 HydrophobicContact CG2-CG 4.11Å |
| 45 | P | 78.8 | Confident | 72.1 | Confident | 88 Ų | 88 | 102.8 Ų | 102.8 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | trans | -75.8 | 81.9 | -176.8 | 31.1 | -35.7 | 0 | 0 | 0 | 110.7 | L64 | P45-L64 VanDerWaalsContact O-CD2 3.23Å; P45-L64 WeakPolarHBondContact O-CD2 3.5Å | ||
| 46 | F | 76 | Confident | 70.8 | Confident | 81 Ų | 81 | 105.9 Ų | 105.9 | 36% | 0.355 | 54% | 0.543 | S | S | . | . | trans | -69 | 138.8 | 173.5 | -53.3 | -59.8 | 0 | 0 | 0 | 110.6 | I41 V44 I61 L64 Y65 | I41-F46 HydrophobicContact CB-CE2 4.34Å; I41-F46 HydrophobicContact CB-CZ 4.31Å; I41-F46 HydrophobicContact CD1-CZ 4.37Å; I41-F46 HydrophobicContact CG1-CE1 4.48Å; I41-F46 HydrophobicContact CG1-CE2 3.53Å; I41-F46 HydrophobicContact CG1-CZ 3.32Å; I41-F46 WeakPolarHBondContact O-CE2 3.48Å; I41-F46 VanDerWaalsContact O-CZ 3.25Å; I41-F46 WeakPolarHBondContact O-CZ 3.45Å; V44-F46 VanDerWaalsContact C-N 3.31Å; V44-F46 HydrophobicContact CB-CD1 4.49Å; V44-F46 HydrophobicContact CB-CE1 3.74Å; V44-F46 HydrophobicContact CB-CE2 4.19Å; V44-F46 HydrophobicContact CB-CZ 3.52Å; V44-F46 HydrophobicContact CG1-CD1 3.92Å; V44-F46 HydrophobicContact CG1-CE1 3.36Å; V44-F46 HydrophobicContact CG1-CZ 3.74Å; V44-F46 HydrophobicContact CG2-CZ 4.45Å; V44-F46 WeakPolarHBondContact O-CD2 3.46Å; V44-F46 PolarHBondContact O-N 3.32Å; F46-I61 HydrophobicContact CE1-CG2 4.11Å; F46-L64 HydrophobicContact CD1-CD2 4.5Å; F46-Y65 HydrophobicContact CE1-CE2 4.5Å; F46-Y65 HydrophobicContact CZ-CE2 4.35Å | ||
| 47 | K | 73.6 | Confident | 69.6 | Low | 123 Ų | 123 | 106.6 Ų | 106.6 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | trans | -107.5 | 145.5 | 168.2 | -59 | 175.8 | 87.3 | -162.5 | 0 | 108.4 | E49 D50 | K47-E49 HydrophobicContact CB-CG 3.57Å; K47-E49 WeakPolarHBondContact CD-OE1 3.47Å; K47-E49 WeakPolarHBondContact CE-OE1 3.33Å; K47-E49 IonicContact NZ-OE1 2.65Å; K47-E49 PolarHBondContact NZ-OE1 3.32Å; K47-E49 PolarHBondContact O-N 3.47Å; K47-E49 VanDerWaalsContact O-N 3.1Å; K47-D50 PolarHBondContact N-OD2 3.36Å; K47-D50 WeakPolarHBondContact O-CB 3.44Å; K47-D50 PolarHBondContact O-N 2.94Å | ||
| 48 | E | 63.5 | Low | 68.8 | Low | 160 Ų | 160 | 107.9 Ų | 107.9 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61 | -23 | -178.3 | -58 | -164.3 | 169.5 | 0 | 0 | 112.9 | D50 M51 H52 | E48-D50 VanDerWaalsContact C-N 3.32Å; E48-M51 PolarHBondContact O-N 3.24Å; E48-H52 PolarHBondContact O-N 3.13Å; E48-H52 PolarHBondContact O-ND1 3.15Å |
| 49 | E | 62.3 | Low | 68.6 | Low | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.1 | -28.7 | 171.4 | 55.2 | -169.5 | -178.2 | 0 | 0 | 113.6 | K47 M51 | K47-E49 HydrophobicContact CB-CG 3.57Å; K47-E49 WeakPolarHBondContact CD-OE1 3.47Å; K47-E49 WeakPolarHBondContact CE-OE1 3.33Å; K47-E49 IonicContact NZ-OE1 2.65Å; K47-E49 PolarHBondContact NZ-OE1 3.32Å; K47-E49 PolarHBondContact O-N 3.47Å; K47-E49 VanDerWaalsContact O-N 3.1Å; E49-M51 VanDerWaalsContact C-N 3.29Å |
| 50 | D | 62.2 | Low | 68.3 | Low | 50 Ų | 50 | 105 Ų | 105 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -77.2 | -17.4 | 175.4 | -60.7 | -48.2 | 0 | 0 | 0 | 112.3 | K47 E48 | K47-D50 PolarHBondContact N-OD2 3.36Å; K47-D50 WeakPolarHBondContact O-CB 3.44Å; K47-D50 PolarHBondContact O-N 2.94Å; E48-D50 VanDerWaalsContact C-N 3.32Å |
| 51 | M | 60.6 | Low | 68.2 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 74% | 0.739 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -91.3 | -22.6 | 178.7 | -64.2 | -166.4 | 69.7 | 0 | 0 | 113.6 | E48 E49 | E48-M51 PolarHBondContact O-N 3.24Å; E49-M51 VanDerWaalsContact C-N 3.29Å |
| 52 | H | 60.5 | Low | 68.4 | Low | 155 Ų | 155 | 108.3 Ų | 108.3 | 72% | 0.718 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -96.8 | -10.1 | -176.1 | -83.1 | 72.1 | 0 | 0 | 0 | 114.3 | E48 D54 | E48-H52 PolarHBondContact O-N 3.13Å; E48-H52 PolarHBondContact O-ND1 3.15Å; H52-D54 VanDerWaalsContact C-N 3.35Å; H52-D54 PolarHBondContact O-N 2.95Å; H52-D54 VanDerWaalsContact O-N 3.09Å |
| 53 | N | 57.5 | Low | 68.7 | Low | 128 Ų | 128 | 105.5 Ų | 105.5 | 68% | 0.684 | 53% | 0.525 | S | S | * | . | trans | -87.1 | 78 | 178.7 | -157.8 | 18.2 | 0 | 0 | 0 | 110.7 | Q55 | N53-Q55 PolarHBondContact O-N 3.39Š| ||
| 54 | D | 53 | Low | 68.8 | Low | 145 Ų | 145 | 101.9 Ų | 101.9 | 78% | 0.775 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 12 | -162 | -124.8 | -23.5 | 0 | 0 | 0 | 117.4 | H52 | H52-D54 VanDerWaalsContact C-N 3.35Å; H52-D54 PolarHBondContact O-N 2.95Å; H52-D54 VanDerWaalsContact O-N 3.09Å |
| 55 | Q | 57.2 | Low | 69.1 | Low | 179 Ų | 179 | 102 Ų | 102 | 84% | 0.836 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -30 | -171.5 | -147.4 | 164.4 | 9.7 | 0 | 0 | 114.4 | N53 | N53-Q55 PolarHBondContact O-N 3.39Š|
| 56 | E | 57.1 | Low | 69.5 | Low | 148 Ų | 148 | 100.4 Ų | 100.4 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | trans | -153.3 | 74.7 | 172.8 | -67.2 | -166.2 | 121.6 | 0 | 0 | 111.8 | H59 | E56-H59 PolarHBondContact O-N 2.97Š| ||
| 57 | P | 58.2 | Low | 70.1 | Confident | 75 Ų | 75 | 102.1 Ų | 102.1 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.7 | -31.1 | -172.7 | 17.3 | -26.7 | 0 | 0 | 0 | 117 | I61 | P57-I61 WeakPolarHBondContact O-CD1 3.5Å |
| 58 | P | 66 | Low | 70.9 | Confident | 66 Ų | 66 | 97.7 Ų | 97.7 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76 | -26.7 | -175.6 | 24.4 | -29.3 | 0 | 0 | 0 | 113.6 | Y62 | P58-Y62 HydrophobicContact CB-CD2 4.03Å; P58-Y62 HydrophobicContact CB-CE2 3.54Å; P58-Y62 WeakPolarHBondContact O-CD2 3.28Å; P58-Y62 VanDerWaalsContact O-CG 3.29Å; P58-Y62 PolarHBondContact O-N 3.46Å; P58-Y62 VanDerWaalsContact O-N 3.09Å |
| 59 | H | 72.7 | Confident | 72.2 | Confident | 104 Ų | 104 | 90 Ų | 90 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.4 | -35.8 | -164.7 | -171.8 | -126.8 | 0 | 0 | 0 | 113.8 | E56 K63 | E56-H59 PolarHBondContact O-N 2.97Å; H59-K63 WeakPolarHBondContact CE1-CE 3.5Å; H59-K63 WeakPolarHBondContact O-CG 3.43Å; H59-K63 PolarHBondContact O-N 3.37Å |
| 60 | S | 76.7 | Confident | 73.6 | Confident | 41 Ų | 41 | 91.5 Ų | 91.5 | 29% | 0.287 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66 | -42 | 174.3 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | K63 L64 | S60-K63 WeakPolarHBondContact O-CB 3.17Å; S60-K63 PolarHBondContact O-N 3.27Å; S60-L64 PolarHBondContact O-N 3.35Å |
| 61 | I | 78.4 | Confident | 75.1 | Confident | 56 Ų | 56 | 93.6 Ų | 93.6 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 179.6 | -63.1 | 176.7 | 0 | 0 | 0 | 110.7 | F46 P57 K63 L64 Y65 | F46-I61 HydrophobicContact CE1-CG2 4.11Å; P57-I61 WeakPolarHBondContact O-CD1 3.5Å; I61-K63 VanDerWaalsContact C-N 3.27Å; I61-K63 PolarHBondContact O-N 2.75Å; I61-L64 WeakPolarHBondContact O-CB 3.16Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.07Å; I61-Y65 HydrophobicContact CG2-CD2 3.85Å; I61-Y65 HydrophobicContact CG2-CE2 3.85Å; I61-Y65 WeakPolarHBondContact O-CD2 3.44Å; I61-Y65 PolarHBondContact O-N 3.02Å |
| 62 | Y | 81.3 | Confident | 76.6 | Confident | 110 Ų | 110 | 87.3 Ų | 87.3 | 43% | 0.431 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.6 | -34 | 177.9 | -68.9 | -47.8 | 0 | 0 | 0 | 113.2 | H36 P58 N66 | H36-Y62 HydrophobicContact CB-CD1 3.96Å; H36-Y62 HydrophobicContact CB-CE1 3.81Å; H36-Y62 AromaticContact CD2-CD1 3.26Å; H36-Y62 WeakPolarHBondContact CD2-CD1 3.24Å; H36-Y62 AromaticContact CD2-CE1 3.56Å; H36-Y62 AromaticContact CE1-CD1 3.67Å; H36-Y62 PolarHBondContact CE1-O 3.11Å; H36-Y62 AromaticContact CG-CD1 3.36Å; H36-Y62 AromaticContact CG-CE1 3.66Å; H36-Y62 AromaticContact ND1-CD1 3.62Å; H36-Y62 AromaticContact NE2-CD1 3.46Å; H36-Y62 WeakPolarHBondContact NE2-CD1 3.31Å; H36-Y62 AromaticContact NE2-CG 3.94Å; P58-Y62 HydrophobicContact CB-CD2 4.03Å; P58-Y62 HydrophobicContact CB-CE2 3.54Å; P58-Y62 WeakPolarHBondContact O-CD2 3.28Å; P58-Y62 VanDerWaalsContact O-CG 3.29Å; P58-Y62 PolarHBondContact O-N 3.46Å; P58-Y62 VanDerWaalsContact O-N 3.09Å; Y62-N66 WeakPolarHBondContact O-CB 3.03Å; Y62-N66 PolarHBondContact O-N 3.24Å |
| 63 | K | 83.9 | Confident | 78.2 | Confident | 124 Ų | 124 | 83.8 Ų | 83.8 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 173.6 | -72.6 | 177.1 | -179.3 | 178.7 | 0 | 111.9 | H59 S60 I61 N66 Q67 | H59-K63 WeakPolarHBondContact CE1-CE 3.5Å; H59-K63 WeakPolarHBondContact O-CG 3.43Å; H59-K63 PolarHBondContact O-N 3.37Å; S60-K63 WeakPolarHBondContact O-CB 3.17Å; S60-K63 PolarHBondContact O-N 3.27Å; I61-K63 VanDerWaalsContact C-N 3.27Å; I61-K63 PolarHBondContact O-N 2.75Å; K63-N66 PolarHBondContact O-N 2.87Å; K63-Q67 WeakPolarHBondContact O-CB 3.28Å; K63-Q67 PolarHBondContact O-N 3.03Å |
| 64 | L | 84.7 | Confident | 79.9 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 18% | 0.178 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 178 | -126.4 | 66 | 0 | 0 | 0 | 111.8 | V44 P45 F46 S60 I61 N66 Q67 V68 | V44-L64 HydrophobicContact CG1-CB 3.85Å; V44-L64 HydrophobicContact CG1-CD2 3.79Å; V44-L64 HydrophobicContact CG1-CG 4.1Å; P45-L64 VanDerWaalsContact O-CD2 3.23Å; P45-L64 WeakPolarHBondContact O-CD2 3.5Å; F46-L64 HydrophobicContact CD1-CD2 4.5Å; S60-L64 PolarHBondContact O-N 3.35Å; I61-L64 WeakPolarHBondContact O-CB 3.16Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.07Å; L64-N66 PolarHBondContact O-N 2.96Å; L64-Q67 WeakPolarHBondContact O-CB 3.48Å; L64-Q67 PolarHBondContact O-N 3.04Å; L64-V68 WeakPolarHBondContact O-CG2 3.25Å; L64-V68 PolarHBondContact O-N 3.2Å |
| 65 | Y | 86.6 | Confident | 81.8 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 172.4 | -93.6 | -90.5 | 0 | 0 | 0 | 112.1 | F33 H36 S37 L40 I41 V44 F46 I61 Q67 V68 G69 | F33-Y65 AromaticContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CE1 4.21Å; H36-Y65 VanDerWaalsContact ND1-CB 3.27Å; H36-Y65 WeakPolarHBondContact ND1-CB 3.39Å; H36-Y65 AromaticContact ND1-CG 3.75Å; S37-Y65 PolarHBondContact O-OH 3.34Å; L40-Y65 HydrophobicContact CB-CE1 4.37Å; I41-Y65 WeakPolarHBondContact CA-OH 3.42Å; I41-Y65 VanDerWaalsContact CB-OH 3.3Å; I41-Y65 WeakPolarHBondContact CB-OH 3.36Å; I41-Y65 WeakPolarHBondContact CG1-OH 3.46Å; I41-Y65 PolarHBondContact N-OH 3.29Å; V44-Y65 HydrophobicContact CG2-CD1 4.06Å; V44-Y65 HydrophobicContact CG2-CD2 4.04Å; V44-Y65 HydrophobicContact CG2-CE1 3.96Å; V44-Y65 HydrophobicContact CG2-CE2 3.94Å; V44-Y65 HydrophobicContact CG2-CG 4.11Å; F46-Y65 HydrophobicContact CE1-CE2 4.5Å; F46-Y65 HydrophobicContact CZ-CE2 4.35Å; I61-Y65 HydrophobicContact CG2-CD2 3.85Å; I61-Y65 HydrophobicContact CG2-CE2 3.85Å; I61-Y65 WeakPolarHBondContact O-CD2 3.44Å; I61-Y65 PolarHBondContact O-N 3.02Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.5Å; Y65-V68 PolarHBondContact O-N 3.15Å; Y65-G69 PolarHBondContact O-N 3.05Å |
| 66 | N | 87.7 | Confident | 83.5 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 178.4 | -80.4 | -16.5 | 0 | 0 | 0 | 111.7 | H36 Y62 K63 L64 G69 Y70 | H36-N66 PolarHBondContact CE1-OD1 3.31Å; H36-N66 VanDerWaalsContact CE1-OD1 3.29Å; Y62-N66 WeakPolarHBondContact O-CB 3.03Å; Y62-N66 PolarHBondContact O-N 3.24Å; K63-N66 PolarHBondContact O-N 2.87Å; L64-N66 PolarHBondContact O-N 2.96Å; N66-G69 PolarHBondContact O-N 3.35Å; N66-Y70 HydrophobicContact CB-CD2 4.45Å; N66-Y70 HydrophobicContact CB-CE2 4.35Å; N66-Y70 WeakPolarHBondContact O-CB 3.26Å; N66-Y70 WeakPolarHBondContact O-CD2 3.45Å; N66-Y70 PolarHBondContact O-N 2.86Å |
| 67 | Q | 88.9 | Confident | 85.3 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.6 | -47 | 177.3 | -174.7 | 172.7 | -90.5 | 0 | 0 | 111.9 | K63 L64 Y65 Y70 N71 | K63-Q67 WeakPolarHBondContact O-CB 3.28Å; K63-Q67 PolarHBondContact O-N 3.03Å; L64-Q67 WeakPolarHBondContact O-CB 3.48Å; L64-Q67 PolarHBondContact O-N 3.04Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.5Å; Q67-Y70 PolarHBondContact O-N 2.9Å; Q67-N71 VanDerWaalsContact O-CG 3.23Å; Q67-N71 PolarHBondContact O-N 2.86Å; Q67-N71 VanDerWaalsContact O-N 3.1Å; Q67-N71 PolarHBondContact O-ND2 3.49Å; Q67-N71 PolarHBondContact O-OD1 3.06Å |
| 68 | V | 89.6 | Confident | 87 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.5 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | F33 L64 Y65 Y70 N71 C72 | F33-V68 HydrophobicContact CD1-CB 4.26Å; F33-V68 HydrophobicContact CD1-CG1 4.02Å; F33-V68 HydrophobicContact CD2-CG1 3.97Å; F33-V68 HydrophobicContact CE1-CB 4.4Å; F33-V68 HydrophobicContact CE1-CG1 3.81Å; F33-V68 HydrophobicContact CE2-CG1 3.76Å; F33-V68 HydrophobicContact CG-CB 4.48Å; F33-V68 HydrophobicContact CG-CG1 4.12Å; F33-V68 HydrophobicContact CZ-CG1 3.69Å; L64-V68 WeakPolarHBondContact O-CG2 3.25Å; L64-V68 PolarHBondContact O-N 3.2Å; Y65-V68 PolarHBondContact O-N 3.15Å; V68-Y70 PolarHBondContact O-N 2.91Å; V68-N71 WeakPolarHBondContact O-CB 3.37Å; V68-N71 PolarHBondContact O-N 3.1Å; V68-N71 VanDerWaalsContact O-N 3.16Å; V68-C72 PolarHBondContact O-N 3.43Å |
| 69 | G | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y65 N66 N71 C72 F73 | Y65-G69 PolarHBondContact O-N 3.05Å; N66-G69 PolarHBondContact O-N 3.35Å; G69-N71 VanDerWaalsContact C-N 3.33Å; G69-N71 PolarHBondContact O-N 3.16Å; G69-C72 WeakPolarHBondContact O-CB 3.48Å; G69-C72 PolarHBondContact O-N 3.37Å; G69-F73 WeakPolarHBondContact O-CD2 3.15Å; G69-F73 PolarHBondContact O-N 3.23Å |
| 70 | Y | 91.8 | Very high | 89.1 | Confident | 148 Ų | 148 | 64.8 Ų | 64.8 | 58% | 0.58 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.1 | -40.5 | 175.2 | -81.7 | -61.2 | 0 | 0 | 0 | 112.2 | N66 Q67 V68 C72 F73 I74 | N66-Y70 HydrophobicContact CB-CD2 4.45Å; N66-Y70 HydrophobicContact CB-CE2 4.35Å; N66-Y70 WeakPolarHBondContact O-CB 3.26Å; N66-Y70 WeakPolarHBondContact O-CD2 3.45Å; N66-Y70 PolarHBondContact O-N 2.86Å; Q67-Y70 PolarHBondContact O-N 2.9Å; V68-Y70 PolarHBondContact O-N 2.91Å; Y70-C72 VanDerWaalsContact C-N 3.33Å; Y70-C72 PolarHBondContact O-N 3.45Å; Y70-F73 PolarHBondContact O-N 3.08Å; Y70-I74 VanDerWaalsContact O-CG1 3.28Å; Y70-I74 WeakPolarHBondContact O-CG1 3.41Å; Y70-I74 PolarHBondContact O-N 3.46Å |
| 71 | N | 93.3 | Very high | 89.8 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.6 | -66.8 | -15.9 | 0 | 0 | 0 | 111.6 | Q67 V68 G69 I74 A75 | Q67-N71 VanDerWaalsContact O-CG 3.23Å; Q67-N71 PolarHBondContact O-N 2.86Å; Q67-N71 VanDerWaalsContact O-N 3.1Å; Q67-N71 PolarHBondContact O-ND2 3.49Å; Q67-N71 PolarHBondContact O-OD1 3.06Å; V68-N71 WeakPolarHBondContact O-CB 3.37Å; V68-N71 PolarHBondContact O-N 3.1Å; V68-N71 VanDerWaalsContact O-N 3.16Å; G69-N71 VanDerWaalsContact C-N 3.33Å; G69-N71 PolarHBondContact O-N 3.16Å; N71-I74 PolarHBondContact O-N 2.9Å; N71-A75 WeakPolarHBondContact O-CB 3.39Å; N71-A75 PolarHBondContact O-N 2.86Å |
| 72 | C | 93.2 | Very high | 90.3 | Very high | 18 Ų | 18 | 68.6 Ų | 68.6 | 12% | 0.122 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 174.3 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | L26 V68 G69 Y70 A75 A76 | L26-C72 HydrophobicContact CD2-CB 4.37Å; V68-C72 PolarHBondContact O-N 3.43Å; G69-C72 WeakPolarHBondContact O-CB 3.48Å; G69-C72 PolarHBondContact O-N 3.37Å; Y70-C72 VanDerWaalsContact C-N 3.33Å; Y70-C72 PolarHBondContact O-N 3.45Å; C72-A75 PolarHBondContact O-N 3.38Å; C72-A76 WeakPolarHBondContact O-CB 3.46Å; C72-A76 PolarHBondContact O-N 2.91Å |
| 73 | F | 93 | Very high | 90.6 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176 | -77.5 | -62.2 | 0 | 0 | 0 | 112.8 | G30 I31 T34 G69 Y70 A76 G77 | G30-F73 VanDerWaalsContact C-CE2 3.45Å; G30-F73 VanDerWaalsContact C-CZ 3.48Å; G30-F73 WeakPolarHBondContact O-CE2 3.38Å; I31-F73 HydrophobicContact CG1-CE1 4.34Å; I31-F73 HydrophobicContact CG1-CZ 3.92Å; T34-F73 HydrophobicContact CG2-CE2 3.79Å; G69-F73 WeakPolarHBondContact O-CD2 3.15Å; G69-F73 PolarHBondContact O-N 3.23Å; Y70-F73 PolarHBondContact O-N 3.08Å; F73-A76 PolarHBondContact O-N 3.45Å; F73-G77 PolarHBondContact O-N 3.38Å |
| 74 | I | 94.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 54% | 0.544 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.9 | -67.2 | 164.5 | 0 | 0 | 0 | 109.9 | Y70 N71 A76 G77 I78 | Y70-I74 VanDerWaalsContact O-CG1 3.28Å; Y70-I74 WeakPolarHBondContact O-CG1 3.41Å; Y70-I74 PolarHBondContact O-N 3.46Å; N71-I74 PolarHBondContact O-N 2.9Å; I74-A76 PolarHBondContact O-N 3.44Å; I74-G77 WeakPolarHBondContact O-CA 3.43Å; I74-G77 PolarHBondContact O-N 3.29Å; I74-G77 VanDerWaalsContact O-N 3.13Å; I74-I78 HydrophobicContact CG2-CD1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.5Å; I74-I78 PolarHBondContact O-N 3.44Å |
| 75 | A | 93.3 | Very high | 91 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L26 N71 C72 G77 I78 Y79 | L26-A75 HydrophobicContact CD1-CB 4Å; L26-A75 HydrophobicContact CD2-CB 4.16Å; N71-A75 WeakPolarHBondContact O-CB 3.39Å; N71-A75 PolarHBondContact O-N 2.86Å; C72-A75 PolarHBondContact O-N 3.38Å; A75-G77 VanDerWaalsContact C-N 3.29Å; A75-G77 PolarHBondContact O-N 3.02Å; A75-I78 WeakPolarHBondContact O-CB 2.9Å; A75-I78 PolarHBondContact O-N 3.4Å; A75-I78 VanDerWaalsContact O-N 3.11Å; A75-Y79 VanDerWaalsContact O-CD2 3.31Å; A75-Y79 WeakPolarHBondContact O-CD2 3.46Å; A75-Y79 PolarHBondContact O-N 3.4Å |
| 76 | A | 93.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L26 C72 F73 I74 I78 Y79 V80 | L26-A76 HydrophobicContact CB-CB 3.88Å; C72-A76 WeakPolarHBondContact O-CB 3.46Å; C72-A76 PolarHBondContact O-N 2.91Å; F73-A76 PolarHBondContact O-N 3.45Å; I74-A76 PolarHBondContact O-N 3.44Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 3.19Å; A76-Y79 PolarHBondContact O-N 3Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 3.2Å |
| 77 | G | 93.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F73 I74 A75 V80 L81 | F73-G77 PolarHBondContact O-N 3.38Å; I74-G77 WeakPolarHBondContact O-CA 3.43Å; I74-G77 PolarHBondContact O-N 3.29Å; I74-G77 VanDerWaalsContact O-N 3.13Å; A75-G77 VanDerWaalsContact C-N 3.29Å; A75-G77 PolarHBondContact O-N 3.02Å; G77-V80 WeakPolarHBondContact O-CB 3.27Å; G77-V80 PolarHBondContact O-N 3.11Å; G77-L81 PolarHBondContact O-N 3.36Å |
| 78 | I | 93.9 | Very high | 90.5 | Very high | 99 Ų | 99 | 66 Ų | 66 | 51% | 0.508 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 175.2 | -65.1 | 167.6 | 0 | 0 | 0 | 110.6 | I74 A75 A76 V80 L81 V82 | I74-I78 HydrophobicContact CG2-CD1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.5Å; I74-I78 PolarHBondContact O-N 3.44Å; A75-I78 WeakPolarHBondContact O-CB 2.9Å; A75-I78 PolarHBondContact O-N 3.4Å; A75-I78 VanDerWaalsContact O-N 3.11Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 3.19Å; I78-V80 VanDerWaalsContact C-N 3.3Å; I78-V80 PolarHBondContact O-N 3.5Å; I78-L81 WeakPolarHBondContact O-CB 3.37Å; I78-L81 PolarHBondContact O-N 3.2Å; I78-L81 VanDerWaalsContact O-N 3.13Å; I78-V82 HydrophobicContact CG2-CG2 4.35Å; I78-V82 WeakPolarHBondContact O-CG2 3.14Å; I78-V82 PolarHBondContact O-N 3.42Å |
| 79 | Y | 91.5 | Very high | 90.1 | Very high | 90 Ų | 90 | 66.6 Ų | 66.6 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 176.1 | -82.6 | -77 | 0 | 0 | 0 | 112.9 | L26 A75 A76 V82 A83 | L26-Y79 HydrophobicContact CD1-CD2 3.41Å; L26-Y79 VanDerWaalsContact CD1-CD2 3.41Å; L26-Y79 HydrophobicContact CD1-CE2 3.44Å; L26-Y79 VanDerWaalsContact CD1-CE2 3.44Å; A75-Y79 VanDerWaalsContact O-CD2 3.31Å; A75-Y79 WeakPolarHBondContact O-CD2 3.46Å; A75-Y79 PolarHBondContact O-N 3.4Å; A76-Y79 PolarHBondContact O-N 3Å; Y79-V82 PolarHBondContact O-N 3.13Å; Y79-A83 WeakPolarHBondContact O-CB 3.46Å; Y79-A83 PolarHBondContact O-N 3.43Å |
| 80 | V | 92.1 | Very high | 89.6 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 47% | 0.473 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 172 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V23 A76 G77 I78 A83 A84 | V23-V80 HydrophobicContact CG1-CG2 4.08Å; V23-V80 HydrophobicContact CG2-CG2 3.63Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 3.2Å; G77-V80 WeakPolarHBondContact O-CB 3.27Å; G77-V80 PolarHBondContact O-N 3.11Å; I78-V80 VanDerWaalsContact C-N 3.3Å; I78-V80 PolarHBondContact O-N 3.5Å; V80-A83 PolarHBondContact O-N 3.01Å; V80-A84 PolarHBondContact O-N 3.36Å |
| 81 | L | 91.1 | Very high | 89.1 | Confident | 115 Ų | 115 | 68.2 Ų | 68.2 | 60% | 0.602 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 177.2 | -69.2 | 175.7 | 0 | 0 | 0 | 111.6 | G77 I78 A84 L85 | G77-L81 PolarHBondContact O-N 3.36Å; I78-L81 WeakPolarHBondContact O-CB 3.37Å; I78-L81 PolarHBondContact O-N 3.2Å; I78-L81 VanDerWaalsContact O-N 3.13Å; L81-A84 PolarHBondContact O-N 3.4Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.47Å |
| 82 | V | 88.9 | Confident | 88.5 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 38% | 0.376 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I78 Y79 A84 L85 S86 | I78-V82 HydrophobicContact CG2-CG2 4.35Å; I78-V82 WeakPolarHBondContact O-CG2 3.14Å; I78-V82 PolarHBondContact O-N 3.42Å; Y79-V82 PolarHBondContact O-N 3.13Å; V82-A84 VanDerWaalsContact C-N 3.34Å; V82-A84 PolarHBondContact O-N 3.46Å; V82-L85 PolarHBondContact O-N 3Å; V82-S86 PolarHBondContact O-N 2.91Å; V82-S86 PolarHBondContact O-OG 2.89Å |
| 83 | A | 87.9 | Confident | 87.6 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y79 V80 S86 F87 | Y79-A83 WeakPolarHBondContact O-CB 3.46Å; Y79-A83 PolarHBondContact O-N 3.43Å; V80-A83 PolarHBondContact O-N 3.01Å; A83-S86 PolarHBondContact O-N 2.92Å; A83-F87 WeakPolarHBondContact O-CB 3.43Å; A83-F87 PolarHBondContact O-N 3.22Å |
| 84 | A | 88.8 | Confident | 86.7 | Confident | 53 Ų | 53 | 69 Ų | 69 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V80 L81 V82 F87 C88 | V80-A84 PolarHBondContact O-N 3.36Å; L81-A84 PolarHBondContact O-N 3.4Å; V82-A84 VanDerWaalsContact C-N 3.34Å; V82-A84 PolarHBondContact O-N 3.46Å; A84-F87 PolarHBondContact O-N 3.43Å; A84-C88 PolarHBondContact O-N 3.32Å; A84-C88 PolarHBondContact O-SG 3.38Å; A84-C88 VanDerWaalsContact O-SG 3.4Å |
| 85 | L | 86.7 | Confident | 85.8 | Confident | 108 Ų | 108 | 71.9 Ų | 71.9 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 175.2 | -70.1 | 176 | 0 | 0 | 0 | 111.6 | L81 V82 F87 C88 Q89 | L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.47Å; V82-L85 PolarHBondContact O-N 3Å; L85-F87 VanDerWaalsContact C-N 3.32Å; L85-F87 PolarHBondContact O-N 3.46Å; L85-C88 PolarHBondContact O-N 3.3Å; L85-Q89 VanDerWaalsContact O-CG 3.31Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 3.48Å |
| 86 | S | 85.3 | Confident | 84.5 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | V82 A83 Q89 I90 | V82-S86 PolarHBondContact O-N 2.91Å; V82-S86 PolarHBondContact O-OG 2.89Å; A83-S86 PolarHBondContact O-N 2.92Å; S86-Q89 WeakPolarHBondContact O-CB 3.45Å; S86-Q89 PolarHBondContact O-N 3.33Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.37Å |
| 87 | F | 84.4 | Confident | 83.4 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 175.1 | -178.4 | -99.2 | 0 | 0 | 0 | 112.2 | I16 A83 A84 L85 Q89 I90 K91 | I16-F87 HydrophobicContact CD1-CB 4.33Å; A83-F87 WeakPolarHBondContact O-CB 3.43Å; A83-F87 PolarHBondContact O-N 3.22Å; A84-F87 PolarHBondContact O-N 3.43Å; L85-F87 VanDerWaalsContact C-N 3.32Å; L85-F87 PolarHBondContact O-N 3.46Å; F87-Q89 VanDerWaalsContact C-N 3.28Å; F87-Q89 PolarHBondContact O-N 3.02Å; F87-I90 PolarHBondContact O-N 3.01Å; F87-K91 PolarHBondContact O-N 3.43Å |
| 88 | C | 84.9 | Confident | 81.9 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 47% | 0.466 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 172.9 | -75.2 | 0 | 0 | 0 | 0 | 111.7 | A84 L85 K91 L92 | A84-C88 PolarHBondContact O-N 3.32Å; A84-C88 PolarHBondContact O-SG 3.38Å; A84-C88 VanDerWaalsContact O-SG 3.4Å; L85-C88 PolarHBondContact O-N 3.3Å; C88-K91 PolarHBondContact O-N 3.07Å; C88-L92 VanDerWaalsContact O-CG 3.31Å; C88-L92 WeakPolarHBondContact O-CG 3.45Å; C88-L92 PolarHBondContact O-N 3.32Å |
| 89 | Q | 80.6 | Confident | 80.3 | Confident | 40 Ų | 40 | 87 Ų | 87 | 19% | 0.187 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 177 | -72.1 | 177.5 | 41.1 | 0 | 0 | 112.4 | L85 S86 F87 L92 N93 | L85-Q89 VanDerWaalsContact O-CG 3.31Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 3.48Å; S86-Q89 WeakPolarHBondContact O-CB 3.45Å; S86-Q89 PolarHBondContact O-N 3.33Å; F87-Q89 VanDerWaalsContact C-N 3.28Å; F87-Q89 PolarHBondContact O-N 3.02Å; Q89-L92 PolarHBondContact O-N 3.3Å; Q89-N93 WeakPolarHBondContact O-CB 3.45Å; Q89-N93 PolarHBondContact O-N 3.41Å |
| 90 | I | 80.4 | Confident | 78.8 | Confident | 56 Ų | 56 | 89.1 Ų | 89.1 | 29% | 0.287 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 175 | -69.3 | 176 | 0 | 0 | 0 | 110.7 | A12 I16 S86 F87 L92 N93 H94 | A12-I90 HydrophobicContact CB-CD1 4.23Å; A12-I90 HydrophobicContact CB-CG1 3.7Å; I16-I90 HydrophobicContact CD1-CD1 3.4Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.37Å; F87-I90 PolarHBondContact O-N 3.01Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.25Å; I90-N93 PolarHBondContact O-N 3.09Å; I90-H94 WeakPolarHBondContact O-CB 2.88Å; I90-H94 PolarHBondContact O-N 3.48Å |
| 91 | K | 80.6 | Confident | 76.7 | Confident | 127 Ų | 127 | 98.5 Ų | 98.5 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.2 | -40.5 | 179.7 | -170.4 | -178.7 | -179.7 | 178.6 | 0 | 112.1 | F87 C88 R95 | F87-K91 PolarHBondContact O-N 3.43Å; C88-K91 PolarHBondContact O-N 3.07Å; K91-R95 WeakPolarHBondContact O-CG 3.38Å; K91-R95 PolarHBondContact O-N 3.13Å; K91-R95 VanDerWaalsContact O-N 3.16Å |
| 92 | L | 79.6 | Confident | 76 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 44% | 0.44 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70 | -39.9 | 176.4 | -70.1 | 173.2 | 0 | 0 | 0 | 112 | L5 C88 Q89 I90 R95 K96 | L5-L92 HydrophobicContact CD1-CB 4.29Å; C88-L92 VanDerWaalsContact O-CG 3.31Å; C88-L92 WeakPolarHBondContact O-CG 3.45Å; C88-L92 PolarHBondContact O-N 3.32Å; Q89-L92 PolarHBondContact O-N 3.3Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.25Å; L92-R95 PolarHBondContact O-N 2.83Å; L92-K96 PolarHBondContact O-N 3.18Å; L92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | N | 75.4 | Confident | 75.3 | Confident | 28 Ų | 28 | 99.5 Ų | 99.5 | 15% | 0.15 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.6 | -163.3 | 72.5 | 0 | 0 | 0 | 111.5 | P9 Q89 I90 R95 K96 E97 | P9-N93 WeakPolarHBondContact CB-ND2 3.23Å; P9-N93 VanDerWaalsContact CG-ND2 3.33Å; P9-N93 WeakPolarHBondContact CG-ND2 3.25Å; Q89-N93 WeakPolarHBondContact O-CB 3.45Å; Q89-N93 PolarHBondContact O-N 3.41Å; I90-N93 PolarHBondContact O-N 3.09Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.09Å; N93-K96 PolarHBondContact O-N 3.4Å; N93-E97 PolarHBondContact O-N 3.07Å; N93-E97 VanDerWaalsContact O-N 3.13Å |
| 94 | H | 74.2 | Confident | 74.6 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.2 | -159.1 | -123 | 0 | 0 | 0 | 111.5 | I90 K96 E97 Y98 | I90-H94 WeakPolarHBondContact O-CB 2.88Å; I90-H94 PolarHBondContact O-N 3.48Å; H94-K96 PolarHBondContact O-N 2.94Å; H94-E97 PolarHBondContact O-N 2.65Å; H94-Y98 AromaticContact CE1-CE2 3.33Å; H94-Y98 WeakPolarHBondContact CE1-CE2 3.5Å; H94-Y98 AromaticContact CE1-CZ 3.54Å; H94-Y98 PolarHBondContact CE1-OH 3.19Å; H94-Y98 AromaticContact CG-CE2 3.95Å; H94-Y98 AromaticContact ND1-CE2 3.36Å; H94-Y98 WeakPolarHBondContact ND1-CE2 3.37Å; H94-Y98 AromaticContact NE2-CE2 3.92Å; H94-Y98 AromaticContact NE2-CZ 3.97Å; H94-Y98 PolarHBondContact NE2-OH 3.24Å; H94-Y98 WeakPolarHBondContact O-CD2 3.18Å; H94-Y98 PolarHBondContact O-N 3.09Å |
| 95 | R | 75.4 | Confident | 73.7 | Confident | 165 Ų | 165 | 106.9 Ų | 106.9 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -37.6 | 174.3 | -80 | -176 | 166.5 | -117.3 | -2.1 | 113.7 | K91 L92 N93 | K91-R95 WeakPolarHBondContact O-CG 3.38Å; K91-R95 PolarHBondContact O-N 3.13Å; K91-R95 VanDerWaalsContact O-N 3.16Å; L92-R95 PolarHBondContact O-N 2.83Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.09Å |
| 96 | K | 66.6 | Low | 72.9 | Confident | 73 Ų | 73 | 106.9 Ų | 106.9 | 32% | 0.317 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 176.9 | -72.7 | -177.3 | -179.6 | -175.6 | 0 | 111.9 | L5 L92 N93 H94 Y98 M99 V100 | L5-K96 HydrophobicContact CD2-CD 4.48Å; L92-K96 PolarHBondContact O-N 3.18Å; L92-K96 VanDerWaalsContact O-N 3.08Å; N93-K96 PolarHBondContact O-N 3.4Å; H94-K96 PolarHBondContact O-N 2.94Å; K96-Y98 VanDerWaalsContact C-N 3.31Å; K96-Y98 PolarHBondContact O-N 3.39Å; K96-M99 HydrophobicContact CG-CE 4.44Å; K96-M99 PolarHBondContact O-N 2.89Å; K96-M99 VanDerWaalsContact O-N 3.14Å; K96-V100 WeakPolarHBondContact O-CG2 3.03Å; K96-V100 PolarHBondContact O-N 3.1Å |
| 97 | E | 69.6 | Low | 72.1 | Confident | 119 Ų | 119 | 113.2 Ų | 113.2 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 179.2 | -147.4 | 180 | 129.2 | 0 | 0 | 112.3 | N93 H94 M99 | N93-E97 PolarHBondContact O-N 3.07Å; N93-E97 VanDerWaalsContact O-N 3.13Å; H94-E97 PolarHBondContact O-N 2.65Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 3.27Å |
| 98 | Y | 62.3 | Low | 71.2 | Confident | 153 Ų | 153 | 111.9 Ų | 111.9 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.5 | -19.9 | 174.7 | -68.7 | -68.6 | 0 | 0 | 0 | 115.4 | H94 K96 | H94-Y98 AromaticContact CE1-CE2 3.33Å; H94-Y98 WeakPolarHBondContact CE1-CE2 3.5Å; H94-Y98 AromaticContact CE1-CZ 3.54Å; H94-Y98 PolarHBondContact CE1-OH 3.19Å; H94-Y98 AromaticContact CG-CE2 3.95Å; H94-Y98 AromaticContact ND1-CE2 3.36Å; H94-Y98 WeakPolarHBondContact ND1-CE2 3.37Å; H94-Y98 AromaticContact NE2-CE2 3.92Å; H94-Y98 AromaticContact NE2-CZ 3.97Å; H94-Y98 PolarHBondContact NE2-OH 3.24Å; H94-Y98 WeakPolarHBondContact O-CD2 3.18Å; H94-Y98 PolarHBondContact O-N 3.09Å; K96-Y98 VanDerWaalsContact C-N 3.31Å; K96-Y98 PolarHBondContact O-N 3.39Å |
| 99 | M | 61 | Low | 70.2 | Confident | 146 Ų | 146 | 115.2 Ų | 115.2 | 72% | 0.719 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -92.8 | -13.9 | -179.5 | -67.3 | -171.8 | -61 | 0 | 0 | 113 | K96 E97 | K96-M99 HydrophobicContact CG-CE 4.44Å; K96-M99 PolarHBondContact O-N 2.89Å; K96-M99 VanDerWaalsContact O-N 3.14Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 3.27Å |
| 100 | V | 58.7 | Low | 69.3 | Low | 133 Ų | 133 | 121.4 Ų | 121.4 | 81% | 0.806 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -96.4 | -8.8 | 179.4 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | K96 | K96-V100 WeakPolarHBondContact O-CG2 3.03Å; K96-V100 PolarHBondContact O-N 3.1Å |
| 101 | R | 47.7 | Very low | 68.3 | Low | 275 Ų | 275 | 127.4 Ų | 127.4 | 100% | 1.038 | 57% | 0.569 | S | S | * | * | trans | -110.4 | 0 | 177.3 | -153.5 | -177.3 | -166.4 | 119.3 | 2.5 | 110.3 |
Retrieved 101 of 101 residues in 308 ms
(Link to these results)