| 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 | 57.8 | Low | 89 | Confident | 251 Ų | 251 | 107.8 Ų | 107.8 | 100% | 1.236 | 55% | 0.551 | S | S | * | * | 0 | 129.8 | 0 | -73.3 | -172.7 | -140.7 | 0 | 0 | 109 | |||||
| 2 | T | 83.5 | Confident | 89.4 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | trans | -84.7 | 138.6 | 176.3 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | A6 K7 | T2-A6 HydrophobicContact CG2-CB 3.5Å; T2-K7 HydrophobicContact CG2-CG 4.23Å | ||
| 3 | S | 92.6 | Very high | 89.8 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | trans | -61.9 | 150.9 | 177.7 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | Y5 A6 K7 | S3-Y5 PolarHBondContact O-N 3.19Å; S3-A6 PolarHBondContact O-N 3.2Å; S3-A6 VanDerWaalsContact O-N 3.16Å; S3-A6 WeakPolarHBondContact OG-CB 3.05Å; S3-A6 PolarHBondContact OG-N 2.61Å; S3-A6 VanDerWaalsContact OG-N 3.15Å; S3-K7 PolarHBondContact O-N 3.36Å; S3-K7 VanDerWaalsContact O-N 3.14Å | ||
| 4 | L | 93.2 | Very high | 90 | Very high | 122 Ų | 122 | 93.9 Ų | 93.9 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.5 | -36.9 | 176.4 | -180 | 63.5 | 0 | 0 | 0 | 111.7 | K7 K8 | L4-K7 PolarHBondContact O-N 3.19Å; L4-K8 WeakPolarHBondContact O-CG 3.28Å; L4-K8 PolarHBondContact O-N 3.16Å |
| 5 | Y | 93.9 | Very high | 90.3 | Very high | 162 Ų | 162 | 100.9 Ų | 100.9 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.9 | -49.6 | 174.7 | 176.5 | -97.6 | 0 | 0 | 0 | 111.5 | S3 K7 K8 M9 | S3-Y5 PolarHBondContact O-N 3.19Å; Y5-K7 VanDerWaalsContact C-N 3.33Å; Y5-K7 PolarHBondContact O-N 3.03Å; Y5-K8 WeakPolarHBondContact O-CB 3.43Å; Y5-K8 PolarHBondContact O-N 3.31Å; Y5-K8 VanDerWaalsContact O-N 3.09Å; Y5-M9 HydrophobicContact CD1-CG 3.95Å; Y5-M9 HydrophobicContact CD2-CG 4.4Å; Y5-M9 HydrophobicContact CE1-CG 3.51Å; Y5-M9 HydrophobicContact CE1-SD 4.34Å; Y5-M9 HydrophobicContact CE2-CE 4.05Å; Y5-M9 HydrophobicContact CE2-CG 4Å; Y5-M9 HydrophobicContact CE2-SD 4.1Å; Y5-M9 HydrophobicContact CG-CG 4.38Å; Y5-M9 WeakPolarHBondContact O-CG 3.46Å; Y5-M9 PolarHBondContact O-N 2.97Å |
| 6 | A | 92.9 | Very high | 90.6 | Very high | 32 Ų | 32 | 101.4 Ų | 101.4 | 26% | 0.264 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | T2 S3 K8 M9 T10 | T2-A6 HydrophobicContact CG2-CB 3.5Å; S3-A6 PolarHBondContact O-N 3.2Å; S3-A6 VanDerWaalsContact O-N 3.16Å; S3-A6 WeakPolarHBondContact OG-CB 3.05Å; S3-A6 PolarHBondContact OG-N 2.61Å; S3-A6 VanDerWaalsContact OG-N 3.15Å; A6-K8 VanDerWaalsContact C-N 3.35Å; A6-K8 PolarHBondContact O-N 3.14Å; A6-M9 PolarHBondContact O-N 3.42Å; A6-T10 PolarHBondContact O-N 3.11Å; A6-T10 PolarHBondContact O-OG1 2.86Å; A6-T10 VanDerWaalsContact O-OG1 3.06Å |
| 7 | K | 91.7 | Very high | 90.9 | Very high | 101 Ų | 101 | 104.9 Ų | 104.9 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 173.7 | -66.9 | -176.8 | -178.9 | -177.4 | 0 | 112.5 | T2 S3 L4 Y5 T10 M11 | T2-K7 HydrophobicContact CG2-CG 4.23Å; S3-K7 PolarHBondContact O-N 3.36Å; S3-K7 VanDerWaalsContact O-N 3.14Å; L4-K7 PolarHBondContact O-N 3.19Å; Y5-K7 VanDerWaalsContact C-N 3.33Å; Y5-K7 PolarHBondContact O-N 3.03Å; K7-T10 PolarHBondContact O-N 3.1Å; K7-M11 WeakPolarHBondContact O-CG 3.39Å; K7-M11 PolarHBondContact O-N 3.15Å; K7-M11 VanDerWaalsContact O-N 3.11Å |
| 8 | K | 93 | Very high | 90.8 | Very high | 118 Ų | 118 | 112.2 Ų | 112.2 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 175.9 | -72.5 | -179.3 | 178.2 | -176.6 | 0 | 111.8 | L4 Y5 A6 M11 L12 | L4-K8 WeakPolarHBondContact O-CG 3.28Å; L4-K8 PolarHBondContact O-N 3.16Å; Y5-K8 WeakPolarHBondContact O-CB 3.43Å; Y5-K8 PolarHBondContact O-N 3.31Å; Y5-K8 VanDerWaalsContact O-N 3.09Å; A6-K8 VanDerWaalsContact C-N 3.35Å; A6-K8 PolarHBondContact O-N 3.14Å; K8-M11 HydrophobicContact CG-CE 4.37Å; K8-M11 PolarHBondContact O-N 3.45Å; K8-L12 WeakPolarHBondContact O-CB 3.45Å; K8-L12 PolarHBondContact O-N 3.05Å |
| 9 | M | 93.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 112.5 Ų | 112.5 | 36% | 0.36 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.5 | -69.3 | -60 | 99.5 | 0 | 0 | 111.9 | Y5 A6 L12 A13 | Y5-M9 HydrophobicContact CD1-CG 3.95Å; Y5-M9 HydrophobicContact CD2-CG 4.4Å; Y5-M9 HydrophobicContact CE1-CG 3.51Å; Y5-M9 HydrophobicContact CE1-SD 4.34Å; Y5-M9 HydrophobicContact CE2-CE 4.05Å; Y5-M9 HydrophobicContact CE2-CG 4Å; Y5-M9 HydrophobicContact CE2-SD 4.1Å; Y5-M9 HydrophobicContact CG-CG 4.38Å; Y5-M9 WeakPolarHBondContact O-CG 3.46Å; Y5-M9 PolarHBondContact O-N 2.97Å; A6-M9 PolarHBondContact O-N 3.42Å; M9-L12 HydrophobicContact CE-CD2 4.1Å; M9-L12 PolarHBondContact O-N 3.09Å; M9-A13 WeakPolarHBondContact O-CB 3.48Å; M9-A13 PolarHBondContact O-N 3.04Å |
| 10 | T | 92.8 | Very high | 90.7 | Very high | 87 Ų | 87 | 109.3 Ų | 109.3 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | A6 K7 L12 A13 G14 | A6-T10 PolarHBondContact O-N 3.11Å; A6-T10 PolarHBondContact O-OG1 2.86Å; A6-T10 VanDerWaalsContact O-OG1 3.06Å; K7-T10 PolarHBondContact O-N 3.1Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-L12 PolarHBondContact O-N 3.46Å; T10-A13 PolarHBondContact O-N 3.37Å; T10-G14 PolarHBondContact O-N 3.38Å; T10-G14 VanDerWaalsContact O-N 3.08Å |
| 11 | M | 93.3 | Very high | 90.4 | Very high | 81 Ų | 81 | 104.8 Ų | 104.8 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176 | -72.6 | -174.2 | -71.1 | 0 | 0 | 112.3 | K7 K8 R15 G21 | K7-M11 WeakPolarHBondContact O-CG 3.39Å; K7-M11 PolarHBondContact O-N 3.15Å; K7-M11 VanDerWaalsContact O-N 3.11Å; K8-M11 HydrophobicContact CG-CE 4.37Å; K8-M11 PolarHBondContact O-N 3.45Å; M11-R15 WeakPolarHBondContact O-CG 3.46Å; M11-R15 PolarHBondContact O-N 3.41Å; M11-G21 WeakPolarHBondContact CG-O 3.47Å |
| 12 | L | 94.4 | Very high | 91.8 | Very high | 80 Ų | 80 | 100.5 Ų | 100.5 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 176.4 | 178.6 | 61 | 0 | 0 | 0 | 111.2 | K8 M9 T10 G14 R15 I16 | K8-L12 WeakPolarHBondContact O-CB 3.45Å; K8-L12 PolarHBondContact O-N 3.05Å; M9-L12 HydrophobicContact CE-CD2 4.1Å; M9-L12 PolarHBondContact O-N 3.09Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-L12 PolarHBondContact O-N 3.46Å; L12-G14 VanDerWaalsContact C-N 3.35Å; L12-G14 PolarHBondContact O-N 3.41Å; L12-R15 WeakPolarHBondContact O-CB 3.28Å; L12-R15 PolarHBondContact O-N 3.34Å; L12-R15 VanDerWaalsContact O-N 3.11Å; L12-I16 HydrophobicContact CD1-CD1 3.99Å; L12-I16 HydrophobicContact CD1-CG1 4.25Å; L12-I16 HydrophobicContact CD2-CD1 4.5Å; L12-I16 HydrophobicContact CG-CD1 3.84Å; L12-I16 HydrophobicContact CG-CG1 4.48Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.28Å |
| 13 | A | 94.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 104.5 Ų | 104.5 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M9 T10 R15 I16 F17 | M9-A13 WeakPolarHBondContact O-CB 3.48Å; M9-A13 PolarHBondContact O-N 3.04Å; T10-A13 PolarHBondContact O-N 3.37Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 2.85Å; A13-I16 PolarHBondContact O-N 3.25Å; A13-F17 HydrophobicContact CB-CD2 4.44Å; A13-F17 VanDerWaalsContact O-CD2 3.27Å; A13-F17 WeakPolarHBondContact O-CD2 3.37Å; A13-F17 PolarHBondContact O-N 3.08Å |
| 14 | G | 93.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 103.9 Ų | 103.9 | 9% | 0.093 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T10 L12 R18 D19 | T10-G14 PolarHBondContact O-N 3.38Å; T10-G14 VanDerWaalsContact O-N 3.08Å; L12-G14 VanDerWaalsContact C-N 3.35Å; L12-G14 PolarHBondContact O-N 3.41Å; G14-R18 CarbonylContact O-C 3.5Å; G14-R18 VanDerWaalsContact O-CA 3.29Å; G14-R18 WeakPolarHBondContact O-CA 3.42Å; G14-R18 PolarHBondContact O-N 3.41Å; G14-D19 CarbonylContact C-O 3.43Å; G14-D19 WeakPolarHBondContact CA-O 3.42Å; G14-D19 PolarHBondContact O-N 3.49Å; G14-D19 VanDerWaalsContact O-O 3.05Å |
| 15 | R | 93.5 | Very high | 91.7 | Very high | 198 Ų | 198 | 102 Ų | 102 | 75% | 0.747 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69 | -40.9 | 174.7 | -70.2 | 173.3 | -178.8 | 172.1 | -0.4 | 112.6 | M11 L12 A13 | M11-R15 WeakPolarHBondContact O-CG 3.46Å; M11-R15 PolarHBondContact O-N 3.41Å; L12-R15 WeakPolarHBondContact O-CB 3.28Å; L12-R15 PolarHBondContact O-N 3.34Å; L12-R15 VanDerWaalsContact O-N 3.11Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 2.85Å |
| 16 | I | 96.4 | Very high | 91.6 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -49.1 | 179.9 | -67.7 | 170.8 | 0 | 0 | 0 | 110.2 | L12 A13 | L12-I16 HydrophobicContact CD1-CD1 3.99Å; L12-I16 HydrophobicContact CD1-CG1 4.25Å; L12-I16 HydrophobicContact CD2-CD1 4.5Å; L12-I16 HydrophobicContact CG-CD1 3.84Å; L12-I16 HydrophobicContact CG-CG1 4.48Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.28Å; A13-I16 PolarHBondContact O-N 3.25Å |
| 17 | F | 95.4 | Very high | 91.7 | Very high | 162 Ų | 162 | 106 Ų | 106 | 71% | 0.711 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -91.9 | 5 | -174 | -61.6 | -64.6 | 0 | 0 | 0 | 114.3 | A13 D19 | A13-F17 HydrophobicContact CB-CD2 4.44Å; A13-F17 VanDerWaalsContact O-CD2 3.27Å; A13-F17 WeakPolarHBondContact O-CD2 3.37Å; A13-F17 PolarHBondContact O-N 3.08Å; F17-D19 PolarHBondContact O-N 3.39Å |
| 18 | R | 89.6 | Confident | 91.7 | Very high | 236 Ų | 236 | 103.6 Ų | 103.6 | 89% | 0.891 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 36.1 | -175.8 | -58.2 | 179.5 | 175.6 | 178.8 | -1.4 | 113.5 | G14 | G14-R18 CarbonylContact O-C 3.5Å; G14-R18 VanDerWaalsContact O-CA 3.29Å; G14-R18 WeakPolarHBondContact O-CA 3.42Å; G14-R18 PolarHBondContact O-N 3.41Å |
| 19 | D | 88.8 | Confident | 91.8 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -102.3 | 171.1 | 172.9 | -163.5 | 8.2 | 0 | 0 | 0 | 110.7 | G14 F17 G21 | G14-D19 CarbonylContact C-O 3.43Å; G14-D19 WeakPolarHBondContact CA-O 3.42Å; G14-D19 PolarHBondContact O-N 3.49Å; G14-D19 VanDerWaalsContact O-O 3.05Å; F17-D19 PolarHBondContact O-N 3.39Å; D19-G21 VanDerWaalsContact C-N 3.3Å; D19-G21 PolarHBondContact O-N 3.06Å |
| 20 | V | 89.1 | Confident | 91.8 | Very high | 48 Ų | 48 | 104 Ų | 104 | 29% | 0.291 | 51% | 0.514 | S | S | . | . | trans | -73.3 | 81.9 | 179.9 | -168.4 | 0 | 0 | 0 | 0 | 110 | K22 V24 M29 V32 | V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 2.92Å; V20-V24 HydrophobicContact CG1-CB 4.1Å; V20-V24 HydrophobicContact CG1-CG2 3.52Å; V20-M29 HydrophobicContact CB-SD 4.28Å; V20-M29 HydrophobicContact CG1-SD 4.01Å; V20-M29 HydrophobicContact CG2-CE 4.44Å; V20-M29 HydrophobicContact CG2-SD 4.23Å; V20-V32 HydrophobicContact CG2-CB 4.41Å; V20-V32 HydrophobicContact CG2-CG1 3.83Å; V20-V32 HydrophobicContact CG2-CG2 3.88Å | ||
| 21 | G | 84.6 | Confident | 91.9 | Very high | 15 Ų | 15 | 103.9 Ų | 103.9 | 16% | 0.155 | 51% | 0.513 | C | S | . | . | trans | -71.1 | -17 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M11 D19 | M11-G21 WeakPolarHBondContact CG-O 3.47Å; D19-G21 VanDerWaalsContact C-N 3.3Å; D19-G21 PolarHBondContact O-N 3.06Å | ||
| 22 | K | 87.5 | Confident | 91.9 | Very high | 162 Ų | 162 | 102.9 Ų | 102.9 | 70% | 0.704 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -89.5 | 144 | 176.7 | -175.2 | 179.2 | 175.7 | -177 | 0 | 109.3 | V20 V24 | V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 2.92Å; K22-V24 HydrophobicContact CB-CG2 4.43Å; K22-V24 WeakPolarHBondContact O-CG2 3.48Å; K22-V24 PolarHBondContact O-N 2.88Å; K22-V24 VanDerWaalsContact O-N 3.1Å |
| 23 | Q | 86.1 | Confident | 91.8 | Very high | 172 Ų | 172 | 105.8 Ų | 105.8 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | trans | -65.3 | 113.4 | 167.3 | -66.4 | -176 | -36.6 | 0 | 0 | 109.1 | ||||
| 24 | V | 89 | Confident | 91.8 | Very high | 57 Ų | 57 | 108.2 Ų | 108.2 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | trans | -113.8 | 147.7 | -177.2 | 171.7 | 0 | 0 | 0 | 0 | 108.5 | V20 K22 M29 | V20-V24 HydrophobicContact CG1-CB 4.1Å; V20-V24 HydrophobicContact CG1-CG2 3.52Å; K22-V24 HydrophobicContact CB-CG2 4.43Å; K22-V24 WeakPolarHBondContact O-CG2 3.48Å; K22-V24 PolarHBondContact O-N 2.88Å; K22-V24 VanDerWaalsContact O-N 3.1Å; V24-M29 HydrophobicContact CB-CG 4.34Å; V24-M29 HydrophobicContact CB-SD 4.09Å; V24-M29 HydrophobicContact CG1-CG 4.21Å; V24-M29 HydrophobicContact CG1-SD 4.25Å | ||
| 25 | D | 93.3 | Very high | 91.8 | Very high | 82 Ų | 82 | 115.1 Ų | 115.1 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | trans | -65.4 | 156.4 | 177.8 | 66.4 | -70.1 | 0 | 0 | 0 | 111.7 | K27 S28 M29 | D25-K27 PolarHBondContact O-N 3.26Å; D25-K27 VanDerWaalsContact OD2-CB 3.28Å; D25-K27 WeakPolarHBondContact OD2-CB 3.4Å; D25-K27 PolarHBondContact OD2-N 3.33Å; D25-S28 PolarHBondContact O-N 3.11Å; D25-S28 WeakPolarHBondContact OD1-CB 3.3Å; D25-S28 PolarHBondContact OD1-OG 2.95Å; D25-S28 PolarHBondContact OD2-N 3.4Å; D25-S28 PolarHBondContact OD2-OG 2.97Å; D25-M29 PolarHBondContact O-N 3.33Å | ||
| 26 | S | 91.7 | Very high | 91.8 | Very high | 105 Ų | 105 | 110 Ų | 110 | 73% | 0.734 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.4 | -28.5 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | K30 | S26-K30 PolarHBondContact O-N 3.25Å |
| 27 | K | 93.6 | Very high | 91.6 | Very high | 173 Ų | 173 | 110.1 Ų | 110.1 | 75% | 0.752 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.1 | -43.2 | 177.1 | -59.8 | 178.2 | 177.6 | 176.5 | 0 | 110.9 | D25 K30 | D25-K27 PolarHBondContact O-N 3.26Å; D25-K27 VanDerWaalsContact OD2-CB 3.28Å; D25-K27 WeakPolarHBondContact OD2-CB 3.4Å; D25-K27 PolarHBondContact OD2-N 3.33Å; K27-K30 VanDerWaalsContact O-CB 3.28Å; K27-K30 WeakPolarHBondContact O-CB 3.34Å; K27-K30 PolarHBondContact O-N 3.09Å |
| 28 | S | 92.9 | Very high | 91.6 | Very high | 51 Ų | 51 | 108.4 Ų | 108.4 | 36% | 0.357 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -33.3 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | D25 K30 V31 V32 | D25-S28 PolarHBondContact O-N 3.11Å; D25-S28 WeakPolarHBondContact OD1-CB 3.3Å; D25-S28 PolarHBondContact OD1-OG 2.95Å; D25-S28 PolarHBondContact OD2-N 3.4Å; D25-S28 PolarHBondContact OD2-OG 2.97Å; S28-K30 PolarHBondContact O-N 3.36Å; S28-V31 WeakPolarHBondContact O-CB 3.35Å; S28-V31 PolarHBondContact O-N 2.98Å; S28-V32 PolarHBondContact O-N 3.01Å |
| 29 | M | 94.2 | Very high | 91.8 | Very high | 79 Ų | 79 | 101.1 Ų | 101.1 | 39% | 0.389 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -29 | 172.9 | -73.4 | -58.1 | -64.1 | 0 | 0 | 113.2 | V20 V24 D25 V31 V32 R33 | V20-M29 HydrophobicContact CB-SD 4.28Å; V20-M29 HydrophobicContact CG1-SD 4.01Å; V20-M29 HydrophobicContact CG2-CE 4.44Å; V20-M29 HydrophobicContact CG2-SD 4.23Å; V24-M29 HydrophobicContact CB-CG 4.34Å; V24-M29 HydrophobicContact CB-SD 4.09Å; V24-M29 HydrophobicContact CG1-CG 4.21Å; V24-M29 HydrophobicContact CG1-SD 4.25Å; D25-M29 PolarHBondContact O-N 3.33Å; M29-V31 VanDerWaalsContact C-N 3.28Å; M29-V31 PolarHBondContact O-N 3.32Å; M29-V32 PolarHBondContact O-N 3.28Å; M29-R33 PolarHBondContact O-N 3.39Å; M29-R33 VanDerWaalsContact O-N 3.09Å |
| 30 | K | 94.4 | Very high | 91.9 | Very high | 120 Ų | 120 | 105.3 Ų | 105.3 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 173.2 | -177.1 | -177.6 | 173.9 | -178.3 | 0 | 111.8 | S26 K27 S28 R33 I34 | S26-K30 PolarHBondContact O-N 3.25Å; K27-K30 VanDerWaalsContact O-CB 3.28Å; K27-K30 WeakPolarHBondContact O-CB 3.34Å; K27-K30 PolarHBondContact O-N 3.09Å; S28-K30 PolarHBondContact O-N 3.36Å; K30-R33 PolarHBondContact O-N 3.3Å; K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.9Å; K30-I34 HydrophobicContact CG-CG1 4.47Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.44Å; K30-I34 PolarHBondContact O-N 2.9Å |
| 31 | V | 94.1 | Very high | 92 | Very high | 85 Ų | 85 | 107.5 Ų | 107.5 | 52% | 0.515 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -44.1 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | S28 M29 R33 I34 M35 | S28-V31 WeakPolarHBondContact O-CB 3.35Å; S28-V31 PolarHBondContact O-N 2.98Å; M29-V31 VanDerWaalsContact C-N 3.28Å; M29-V31 PolarHBondContact O-N 3.32Å; V31-R33 VanDerWaalsContact C-N 3.3Å; V31-R33 PolarHBondContact O-N 3.21Å; V31-I34 PolarHBondContact O-N 2.99Å; V31-M35 HydrophobicContact CG1-CG 4.38Å; V31-M35 WeakPolarHBondContact O-CB 3.29Å; V31-M35 WeakPolarHBondContact O-CG 3.27Å; V31-M35 PolarHBondContact O-N 2.93Å |
| 32 | V | 93.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 112 Ų | 112 | 37% | 0.37 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.1 | -47.8 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | V20 S28 M29 M35 S36 | V20-V32 HydrophobicContact CG2-CB 4.41Å; V20-V32 HydrophobicContact CG2-CG1 3.83Å; V20-V32 HydrophobicContact CG2-CG2 3.88Å; S28-V32 PolarHBondContact O-N 3.01Å; M29-V32 PolarHBondContact O-N 3.28Å; V32-M35 PolarHBondContact O-N 3.2Å; V32-S36 WeakPolarHBondContact O-CB 3.49Å; V32-S36 PolarHBondContact O-N 3.4Å; V32-S36 PolarHBondContact O-OG 2.89Å |
| 33 | R | 93.2 | Very high | 92.4 | Very high | 140 Ų | 140 | 109.7 Ų | 109.7 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.8 | -49.2 | 177.6 | -174.1 | 177.7 | 67.1 | -158.3 | 2 | 112.7 | M29 K30 V31 M35 S36 E37 | M29-R33 PolarHBondContact O-N 3.39Å; M29-R33 VanDerWaalsContact O-N 3.09Å; K30-R33 PolarHBondContact O-N 3.3Å; V31-R33 VanDerWaalsContact C-N 3.3Å; V31-R33 PolarHBondContact O-N 3.21Å; R33-M35 VanDerWaalsContact C-N 3.25Å; R33-M35 PolarHBondContact O-N 3.08Å; R33-S36 WeakPolarHBondContact CA-OG 3.41Å; R33-S36 PolarHBondContact O-N 3.2Å; R33-S36 PolarHBondContact O-OG 3.33Å; R33-E37 HydrophobicContact CG-CG 4.49Å; R33-E37 WeakPolarHBondContact CG-OE1 3.4Å; R33-E37 WeakPolarHBondContact O-CG 3.19Å; R33-E37 PolarHBondContact O-N 2.76Å; R33-E37 VanDerWaalsContact O-N 3.08Å |
| 34 | I | 94.5 | Very high | 92.7 | Very high | 92 Ų | 92 | 106.6 Ų | 106.6 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.4 | -39 | 179.9 | -71.7 | 168.1 | 0 | 0 | 0 | 111.3 | K30 V31 | K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.9Å; K30-I34 HydrophobicContact CG-CG1 4.47Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.44Å; K30-I34 PolarHBondContact O-N 2.9Å; V31-I34 PolarHBondContact O-N 2.99Å |
| 35 | M | 92.8 | Very high | 92.8 | Very high | 153 Ų | 153 | 110.1 Ų | 110.1 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79.6 | -24.5 | -179.6 | -66.9 | -64.5 | 179.1 | 0 | 0 | 113.3 | V31 V32 R33 | V31-M35 HydrophobicContact CG1-CG 4.38Å; V31-M35 WeakPolarHBondContact O-CB 3.29Å; V31-M35 WeakPolarHBondContact O-CG 3.27Å; V31-M35 PolarHBondContact O-N 2.93Å; V32-M35 PolarHBondContact O-N 3.2Å; R33-M35 VanDerWaalsContact C-N 3.25Å; R33-M35 PolarHBondContact O-N 3.08Å |
| 36 | S | 92.5 | Very high | 92.6 | Very high | 92 Ų | 92 | 112.1 Ų | 112.1 | 64% | 0.643 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -78.1 | -23.8 | 173.9 | 63 | 0 | 0 | 0 | 0 | 113.4 | V32 R33 | V32-S36 WeakPolarHBondContact O-CB 3.49Å; V32-S36 PolarHBondContact O-N 3.4Å; V32-S36 PolarHBondContact O-OG 2.89Å; R33-S36 WeakPolarHBondContact CA-OG 3.41Å; R33-S36 PolarHBondContact O-N 3.2Å; R33-S36 PolarHBondContact O-OG 3.33Å |
| 37 | E | 94.1 | Very high | 92.7 | Very high | 111 Ų | 111 | 114.9 Ų | 114.9 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -88 | 151.3 | 179.6 | -72 | 173.6 | -167.7 | 0 | 0 | 111.2 | R33 | R33-E37 HydrophobicContact CG-CG 4.49Å; R33-E37 WeakPolarHBondContact CG-OE1 3.4Å; R33-E37 WeakPolarHBondContact O-CG 3.19Å; R33-E37 PolarHBondContact O-N 2.76Å; R33-E37 VanDerWaalsContact O-N 3.08Å |
| 38 | L | 93.8 | Very high | 92.7 | Very high | 125 Ų | 125 | 115.1 Ų | 115.1 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.2 | 169.4 | -79 | 164.9 | 0 | 0 | 0 | 109.6 | R40 I43 | L38-R40 PolarHBondContact O-N 3.27Å; L38-I43 HydrophobicContact CB-CD1 4.42Å |
| 39 | P | 93.9 | Very high | 92.8 | Very high | 84 Ų | 84 | 116 Ų | 116 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 131.9 | 178.9 | 27.2 | -34.4 | 0 | 0 | 0 | 109.6 | P41 M42 | P39-P41 VanDerWaalsContact C-N 3.28Å; P39-P41 VanDerWaalsContact O-N 3.08Å; P39-M42 HydrophobicContact CG-CB 4.27Å; P39-M42 WeakPolarHBondContact O-CB 3.45Å; P39-M42 PolarHBondContact O-N 3.08Å |
| 40 | R | 91 | Very high | 92.8 | Very high | 204 Ų | 204 | 115.2 Ų | 115.2 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -47 | -39.4 | -176.7 | -64.6 | -176.1 | 174.8 | -147.9 | -2.5 | 115 | L38 M42 I43 L44 | L38-R40 PolarHBondContact O-N 3.27Å; R40-M42 PolarHBondContact O-N 3.33Å; R40-I43 WeakPolarHBondContact O-CB 3.38Å; R40-I43 PolarHBondContact O-N 2.91Å; R40-I43 VanDerWaalsContact O-N 3.08Å; R40-L44 PolarHBondContact O-N 3.07Å |
| 41 | P | 91.1 | Very high | 92.9 | Very high | 94 Ų | 94 | 114.6 Ų | 114.6 | 61% | 0.61 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.5 | -31.8 | 177.5 | -26 | 36 | 0 | 0 | 0 | 114.1 | P39 I43 L44 K45 | P39-P41 VanDerWaalsContact C-N 3.28Å; P39-P41 VanDerWaalsContact O-N 3.08Å; P41-I43 PolarHBondContact O-N 2.87Å; P41-L44 PolarHBondContact O-N 3.4Å; P41-K45 WeakPolarHBondContact O-CB 3.42Å; P41-K45 PolarHBondContact O-N 2.93Å |
| 42 | M | 90.9 | Very high | 93 | Very high | 109 Ų | 109 | 118 Ų | 118 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.4 | -27.3 | 178.3 | -172.8 | 62.5 | 118.7 | 0 | 0 | 112.1 | P39 R40 K45 | P39-M42 HydrophobicContact CG-CB 4.27Å; P39-M42 WeakPolarHBondContact O-CB 3.45Å; P39-M42 PolarHBondContact O-N 3.08Å; R40-M42 PolarHBondContact O-N 3.33Å; M42-K45 WeakPolarHBondContact O-CG 3.44Å; M42-K45 HydrophobicContact SD-CD 3.85Å |
| 43 | I | 90.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 121 Ų | 121 | 59% | 0.585 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.8 | -37.1 | 176 | -54.9 | 172.7 | 0 | 0 | 0 | 110.1 | L38 R40 P41 | L38-I43 HydrophobicContact CB-CD1 4.42Å; R40-I43 WeakPolarHBondContact O-CB 3.38Å; R40-I43 PolarHBondContact O-N 2.91Å; R40-I43 VanDerWaalsContact O-N 3.08Å; P41-I43 PolarHBondContact O-N 2.87Å |
| 44 | L | 91.7 | Very high | 93.3 | Very high | 108 Ų | 108 | 120.7 Ų | 120.7 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -92.4 | -5.8 | -173.7 | -67 | 173.4 | 0 | 0 | 0 | 114.6 | R40 P41 D46 Y47 | R40-L44 PolarHBondContact O-N 3.07Å; P41-L44 PolarHBondContact O-N 3.4Å; L44-D46 PolarHBondContact O-N 2.84Å; L44-D46 VanDerWaalsContact O-N 3.15Å; L44-Y47 WeakPolarHBondContact O-CB 3.32Å; L44-Y47 PolarHBondContact O-N 2.92Å; L44-Y47 VanDerWaalsContact O-N 3.13Å |
| 45 | K | 90.6 | Very high | 93.4 | Very high | 130 Ų | 130 | 120.6 Ų | 120.6 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -34.3 | -175.4 | 66.2 | 179.6 | -172.9 | 178.2 | 0 | 113.2 | P41 M42 | P41-K45 WeakPolarHBondContact O-CB 3.42Å; P41-K45 PolarHBondContact O-N 2.93Å; M42-K45 WeakPolarHBondContact O-CG 3.44Å; M42-K45 HydrophobicContact SD-CD 3.85Å |
| 46 | D | 90 | Very high | 93.6 | Very high | 124 Ų | 124 | 117.4 Ų | 117.4 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 19.9 | -174.4 | -56.7 | -41.2 | 0 | 0 | 0 | 112.2 | L44 Y48 | L44-D46 PolarHBondContact O-N 2.84Å; L44-D46 VanDerWaalsContact O-N 3.15Å; D46-Y48 VanDerWaalsContact C-N 3.31Å; D46-Y48 PolarHBondContact O-N 3.13Å |
| 47 | Y | 93.5 | Very high | 93.8 | Very high | 163 Ų | 163 | 117.5 Ų | 117.5 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -60.7 | -39.9 | -178.7 | -178.9 | -93.9 | 0 | 0 | 0 | 112.5 | L44 | L44-Y47 WeakPolarHBondContact O-CB 3.32Å; L44-Y47 PolarHBondContact O-N 2.92Å; L44-Y47 VanDerWaalsContact O-N 3.13Å |
| 48 | Y | 94.6 | Very high | 94 | Very high | 179 Ų | 179 | 115.3 Ų | 115.3 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -102.6 | 136.5 | 173.8 | -65.9 | -67.2 | 0 | 0 | 0 | 110.2 | D46 | D46-Y48 VanDerWaalsContact C-N 3.31Å; D46-Y48 PolarHBondContact O-N 3.13Å |
| 49 | P | 94.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 113.8 Ų | 113.8 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | trans | -65.4 | 155.5 | 173.3 | 28.4 | -34.1 | 0 | 0 | 0 | 110.7 | L51 Y54 | P49-L51 VanDerWaalsContact C-N 3.27Å; P49-L51 HydrophobicContact CG-CD2 3.94Å; P49-L51 HydrophobicContact CG-CG 4.5Å; P49-L51 PolarHBondContact O-N 3.31Å; P49-Y54 HydrophobicContact CB-CD2 4.45Å; P49-Y54 HydrophobicContact CB-CE2 3.91Å | ||
| 50 | P | 95.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 116.6 Ų | 116.6 | 40% | 0.403 | 56% | 0.557 | S | S | . | * | trans | -70.5 | 78.3 | 176.4 | 29.2 | -36.8 | 0 | 0 | 0 | 111.7 | E52 E53 Y54 | P50-E52 PolarHBondContact O-N 3.39Å; P50-E52 VanDerWaalsContact O-N 3.16Å; P50-E53 HydrophobicContact CB-CB 4.28Å; P50-E53 HydrophobicContact CB-CG 4.08Å; P50-E53 WeakPolarHBondContact CB-OE1 3.4Å; P50-E53 WeakPolarHBondContact O-CB 3.3Å; P50-E53 PolarHBondContact O-N 3.05Å; P50-E53 VanDerWaalsContact O-N 3.08Å; P50-Y54 HydrophobicContact CG-CD2 4.38Å; P50-Y54 HydrophobicContact CG-CE2 3.99Å; P50-Y54 VanDerWaalsContact O-CD2 3.27Å; P50-Y54 WeakPolarHBondContact O-CD2 3.23Å; P50-Y54 PolarHBondContact O-N 3.15Å | ||
| 51 | L | 96.1 | Very high | 94.6 | Very high | 108 Ų | 108 | 109.7 Ų | 109.7 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.2 | -33.5 | -171.8 | -67 | 176.9 | 0 | 0 | 0 | 113.8 | P49 N55 | P49-L51 VanDerWaalsContact C-N 3.27Å; P49-L51 HydrophobicContact CG-CD2 3.94Å; P49-L51 HydrophobicContact CG-CG 4.5Å; P49-L51 PolarHBondContact O-N 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 3.4Å; L51-N55 PolarHBondContact O-ND2 3.41Å |
| 52 | E | 96.2 | Very high | 94.9 | Very high | 155 Ų | 155 | 107.4 Ų | 107.4 | 72% | 0.724 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 178.2 | -64.8 | -173 | 173.6 | 0 | 0 | 111.9 | P50 N55 N56 | P50-E52 PolarHBondContact O-N 3.39Å; P50-E52 VanDerWaalsContact O-N 3.16Å; E52-N55 PolarHBondContact O-N 3.1Å; E52-N56 VanDerWaalsContact O-CB 3.3Å; E52-N56 WeakPolarHBondContact O-CB 3.33Å; E52-N56 PolarHBondContact O-N 3.1Å; E52-N56 PolarHBondContact O-ND2 3.29Å; E52-N56 VanDerWaalsContact O-ND2 3.07Å |
| 53 | E | 96.4 | Very high | 95.2 | Very high | 124 Ų | 124 | 110.5 Ų | 110.5 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -49.5 | 177.9 | -64.6 | 179 | -142.6 | 0 | 0 | 110.7 | P50 N55 N56 I57 | P50-E53 HydrophobicContact CB-CB 4.28Å; P50-E53 HydrophobicContact CB-CG 4.08Å; P50-E53 WeakPolarHBondContact CB-OE1 3.4Å; P50-E53 WeakPolarHBondContact O-CB 3.3Å; P50-E53 PolarHBondContact O-N 3.05Å; P50-E53 VanDerWaalsContact O-N 3.08Å; E53-N55 VanDerWaalsContact C-N 3.35Å; E53-N55 PolarHBondContact O-N 2.79Å; E53-N56 PolarHBondContact O-N 3.07Å; E53-I57 WeakPolarHBondContact O-CB 3.29Å; E53-I57 WeakPolarHBondContact O-CD1 3.48Å; E53-I57 VanDerWaalsContact O-CG1 3.22Å; E53-I57 WeakPolarHBondContact O-CG1 3.45Å; E53-I57 PolarHBondContact O-N 3.24Å |
| 54 | Y | 96.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 111 Ų | 111 | 53% | 0.525 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 176.3 | -74.7 | -74 | 0 | 0 | 0 | 111.9 | P49 P50 N56 I57 L58 | P49-Y54 HydrophobicContact CB-CD2 4.45Å; P49-Y54 HydrophobicContact CB-CE2 3.91Å; P50-Y54 HydrophobicContact CG-CD2 4.38Å; P50-Y54 HydrophobicContact CG-CE2 3.99Å; P50-Y54 VanDerWaalsContact O-CD2 3.27Å; P50-Y54 WeakPolarHBondContact O-CD2 3.23Å; P50-Y54 PolarHBondContact O-N 3.15Å; Y54-N56 PolarHBondContact O-N 3.16Å; Y54-I57 PolarHBondContact O-N 2.87Å; Y54-L58 WeakPolarHBondContact O-CB 3.44Å; Y54-L58 VanDerWaalsContact O-CG 3.29Å; Y54-L58 WeakPolarHBondContact O-CG 3.27Å; Y54-L58 PolarHBondContact O-N 2.96Å |
| 55 | N | 96.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 109 Ų | 109 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.8 | -77.2 | -34.9 | 0 | 0 | 0 | 111.7 | L51 E52 E53 L58 Q59 | L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 3.4Å; L51-N55 PolarHBondContact O-ND2 3.41Å; E52-N55 PolarHBondContact O-N 3.1Å; E53-N55 VanDerWaalsContact C-N 3.35Å; E53-N55 PolarHBondContact O-N 2.79Å; N55-L58 PolarHBondContact O-N 3.08Å; N55-Q59 WeakPolarHBondContact O-CB 3.34Å; N55-Q59 VanDerWaalsContact O-CG 3.23Å; N55-Q59 WeakPolarHBondContact O-CG 3.37Å; N55-Q59 PolarHBondContact O-N 2.91Å |
| 56 | N | 97.1 | Very high | 96.1 | Very high | 86 Ų | 86 | 109.1 Ų | 109.1 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | -179.8 | -72.1 | -26.8 | 0 | 0 | 0 | 111.9 | E52 E53 Y54 K60 | E52-N56 VanDerWaalsContact O-CB 3.3Å; E52-N56 WeakPolarHBondContact O-CB 3.33Å; E52-N56 PolarHBondContact O-N 3.1Å; E52-N56 PolarHBondContact O-ND2 3.29Å; E52-N56 VanDerWaalsContact O-ND2 3.07Å; E53-N56 PolarHBondContact O-N 3.07Å; Y54-N56 PolarHBondContact O-N 3.16Å; N56-K60 WeakPolarHBondContact O-CG 3.47Å; N56-K60 PolarHBondContact O-N 3.32Å |
| 57 | I | 97.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 106.8 Ų | 106.8 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -51.1 | 177.3 | -68.3 | 163.7 | 0 | 0 | 0 | 109.9 | E53 Y54 Q59 K60 L61 | E53-I57 WeakPolarHBondContact O-CB 3.29Å; E53-I57 WeakPolarHBondContact O-CD1 3.48Å; E53-I57 VanDerWaalsContact O-CG1 3.22Å; E53-I57 WeakPolarHBondContact O-CG1 3.45Å; E53-I57 PolarHBondContact O-N 3.24Å; Y54-I57 PolarHBondContact O-N 2.87Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.19Å; I57-K60 PolarHBondContact O-N 3.39Å; I57-K60 VanDerWaalsContact O-N 3.17Å; I57-L61 HydrophobicContact CG2-CD1 3.95Å; I57-L61 HydrophobicContact CG2-CG 4.36Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.35Å |
| 58 | L | 97 | Very high | 96.6 | Very high | 64 Ų | 64 | 107.8 Ų | 107.8 | 34% | 0.335 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | -178.2 | -68.2 | 173.7 | 0 | 0 | 0 | 112.6 | Y54 N55 L61 R62 F67 | Y54-L58 WeakPolarHBondContact O-CB 3.44Å; Y54-L58 VanDerWaalsContact O-CG 3.29Å; Y54-L58 WeakPolarHBondContact O-CG 3.27Å; Y54-L58 PolarHBondContact O-N 2.96Å; N55-L58 PolarHBondContact O-N 3.08Å; L58-L61 HydrophobicContact CD2-CD1 4.44Å; L58-R62 WeakPolarHBondContact O-CB 3.22Å; L58-R62 PolarHBondContact O-N 3.14Å; L58-F67 HydrophobicContact CB-CD1 4.33Å; L58-F67 HydrophobicContact CB-CE1 4.15Å; L58-F67 HydrophobicContact CD2-CD1 4.2Å; L58-F67 HydrophobicContact CD2-CD2 4.46Å; L58-F67 HydrophobicContact CD2-CE1 4.07Å; L58-F67 HydrophobicContact CD2-CE2 4.36Å; L58-F67 HydrophobicContact CD2-CG 4.4Å; L58-F67 HydrophobicContact CD2-CZ 4.16Å |
| 59 | Q | 96.8 | Very high | 96.7 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 172.4 | -76.7 | -179.8 | 7.6 | 0 | 0 | 111.9 | N55 I57 R62 Y63 | N55-Q59 WeakPolarHBondContact O-CB 3.34Å; N55-Q59 VanDerWaalsContact O-CG 3.23Å; N55-Q59 WeakPolarHBondContact O-CG 3.37Å; N55-Q59 PolarHBondContact O-N 2.91Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.19Å; Q59-R62 WeakPolarHBondContact O-CB 3.47Å; Q59-R62 PolarHBondContact O-N 2.93Å; Q59-Y63 HydrophobicContact CB-CE2 4.32Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.33Å; Q59-Y63 PolarHBondContact O-N 3.49Å |
| 60 | K | 97.7 | Very high | 96.8 | Very high | 143 Ų | 143 | 103.9 Ų | 103.9 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 175.7 | -74.2 | 176 | -179.4 | -179.8 | 0 | 111.7 | N56 I57 R62 Y63 L64 | N56-K60 WeakPolarHBondContact O-CG 3.47Å; N56-K60 PolarHBondContact O-N 3.32Å; I57-K60 PolarHBondContact O-N 3.39Å; I57-K60 VanDerWaalsContact O-N 3.17Å; K60-R62 VanDerWaalsContact C-N 3.27Å; K60-R62 PolarHBondContact O-N 3.45Å; K60-Y63 PolarHBondContact O-N 2.96Å; K60-Y63 VanDerWaalsContact O-N 3.16Å; K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.16Å |
| 61 | L | 98 | Very high | 96.9 | Very high | 58 Ų | 58 | 106.5 Ų | 106.5 | 30% | 0.304 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 176.8 | -68.4 | 174.3 | 0 | 0 | 0 | 111.9 | I57 L58 L64 G65 L66 F67 | I57-L61 HydrophobicContact CG2-CD1 3.95Å; I57-L61 HydrophobicContact CG2-CG 4.36Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.35Å; L58-L61 HydrophobicContact CD2-CD1 4.44Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-G65 PolarHBondContact O-N 3.4Å; L61-L66 HydrophobicContact CB-CB 4.44Å; L61-L66 HydrophobicContact CD2-CB 4.09Å; L61-L66 HydrophobicContact CD2-CD1 3.86Å; L61-L66 PolarHBondContact O-N 2.9Å; L61-F67 HydrophobicContact CB-CB 3.57Å; L61-F67 PolarHBondContact O-N 3.43Å |
| 62 | R | 97 | Very high | 97 | Very high | 46 Ų | 46 | 101.7 Ų | 101.7 | 17% | 0.174 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 173.1 | -174.4 | -172.1 | 179.4 | -125.5 | -1.5 | 111.9 | L58 Q59 K60 L64 G65 F67 N69 D73 E76 | L58-R62 WeakPolarHBondContact O-CB 3.22Å; L58-R62 PolarHBondContact O-N 3.14Å; Q59-R62 WeakPolarHBondContact O-CB 3.47Å; Q59-R62 PolarHBondContact O-N 2.93Å; K60-R62 VanDerWaalsContact C-N 3.27Å; K60-R62 PolarHBondContact O-N 3.45Å; R62-L64 VanDerWaalsContact C-N 3.28Å; R62-L64 PolarHBondContact O-N 3.25Å; R62-G65 PolarHBondContact O-N 3.42Å; R62-F67 VanDerWaalsContact CA-O 3.29Å; R62-F67 WeakPolarHBondContact CA-O 3.49Å; R62-F67 HydrophobicContact CB-CD1 4.35Å; R62-N69 HydrophobicContact CG-CB 4.39Å; R62-D73 IonicContact CZ-OD1 2.73Å; R62-D73 IonicContact NE-OD1 3.55Å; R62-D73 PolarHBondContact NE-OD1 3.25Å; R62-D73 IonicContact NH2-OD1 3.34Å; R62-D73 PolarHBondContact NH2-OD1 3.02Å; R62-E76 IonicContact CZ-OE1 3.49Å; R62-E76 IonicContact CZ-OE2 2.73Å; R62-E76 IonicContact NH1-OE1 3.61Å; R62-E76 PolarHBondContact NH1-OE1 3.04Å; R62-E76 IonicContact NH1-OE2 2.69Å; R62-E76 IonicContact NH2-OE1 2.81Å; R62-E76 PolarHBondContact NH2-OE1 2.88Å; R62-E76 IonicContact NH2-OE2 3.43Å; R62-E76 PolarHBondContact NH2-OE2 3.25Å |
| 63 | Y | 95.9 | Very high | 97 | Very high | 174 Ų | 174 | 97.1 Ų | 97.1 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.6 | -31.2 | 178.7 | -65.4 | -47.2 | 0 | 0 | 0 | 113.3 | Q59 K60 G65 | Q59-Y63 HydrophobicContact CB-CE2 4.32Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.33Å; Q59-Y63 PolarHBondContact O-N 3.49Å; K60-Y63 PolarHBondContact O-N 2.96Å; K60-Y63 VanDerWaalsContact O-N 3.16Å; Y63-G65 PolarHBondContact O-N 3.01Å |
| 64 | L | 97.7 | Very high | 97.1 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 65% | 0.654 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.9 | 173.9 | -66.1 | 172.9 | 0 | 0 | 0 | 113.4 | K60 L61 R62 L66 | K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.16Å; L61-L64 PolarHBondContact O-N 3.39Å; R62-L64 VanDerWaalsContact C-N 3.28Å; R62-L64 PolarHBondContact O-N 3.25Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L64-L66 HydrophobicContact CB-CD1 4.09Å; L64-L66 HydrophobicContact CB-CG 4.03Å; L64-L66 HydrophobicContact CD1-CD1 4.22Å; L64-L66 PolarHBondContact O-N 2.96Å |
| 65 | G | 96.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 98.2 Ų | 98.2 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 9.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L61 R62 Y63 | L61-G65 PolarHBondContact O-N 3.4Å; R62-G65 PolarHBondContact O-N 3.42Å; Y63-G65 PolarHBondContact O-N 3.01Å |
| 66 | L | 97.4 | Very high | 97.2 | Very high | 131 Ų | 131 | 98.7 Ų | 98.7 | 69% | 0.686 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -86.1 | -16.4 | -179.5 | -60.7 | 175.9 | 0 | 0 | 0 | 112.9 | L61 L64 | L61-L66 HydrophobicContact CB-CB 4.44Å; L61-L66 HydrophobicContact CD2-CB 4.09Å; L61-L66 HydrophobicContact CD2-CD1 3.86Å; L61-L66 PolarHBondContact O-N 2.9Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L64-L66 HydrophobicContact CB-CD1 4.09Å; L64-L66 HydrophobicContact CB-CG 4.03Å; L64-L66 HydrophobicContact CD1-CD1 4.22Å; L64-L66 PolarHBondContact O-N 2.96Å |
| 67 | F | 97.2 | Very high | 97.2 | Very high | 76 Ų | 76 | 98.1 Ų | 98.1 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | trans | -137.2 | 129.2 | -178.6 | 174.4 | -112.5 | 0 | 0 | 0 | 111.2 | L58 L61 R62 N69 | L58-F67 HydrophobicContact CB-CD1 4.33Å; L58-F67 HydrophobicContact CB-CE1 4.15Å; L58-F67 HydrophobicContact CD2-CD1 4.2Å; L58-F67 HydrophobicContact CD2-CD2 4.46Å; L58-F67 HydrophobicContact CD2-CE1 4.07Å; L58-F67 HydrophobicContact CD2-CE2 4.36Å; L58-F67 HydrophobicContact CD2-CG 4.4Å; L58-F67 HydrophobicContact CD2-CZ 4.16Å; L61-F67 HydrophobicContact CB-CB 3.57Å; L61-F67 PolarHBondContact O-N 3.43Å; R62-F67 VanDerWaalsContact CA-O 3.29Å; R62-F67 WeakPolarHBondContact CA-O 3.49Å; R62-F67 HydrophobicContact CB-CD1 4.35Å; F67-N69 HydrophobicContact CD1-CB 4.18Å; F67-N69 HydrophobicContact CE1-CB 3.64Å; F67-N69 HydrophobicContact CZ-CB 4.39Å | ||
| 68 | R | 97.3 | Very high | 97.1 | Very high | 183 Ų | 183 | 97.4 Ų | 97.4 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | trans | -95.1 | 118.9 | 174 | -173.1 | 178.8 | 177.8 | -164.5 | -4.4 | 110.2 | E70 | R68-E70 HydrophobicContact CG-CG 4.32Å; R68-E70 IonicContact CZ-OE1 3.75Å; R68-E70 IonicContact NH1-OE1 3.8Å | ||
| 69 | N | 96.8 | Very high | 97.1 | Very high | 40 Ų | 40 | 96.9 Ų | 96.9 | 21% | 0.214 | 47% | 0.466 | C | S | . | . | trans | -108.6 | 85.8 | 177.8 | -170.1 | -22.9 | 0 | 0 | 0 | 110.7 | R62 F67 H71 A72 D73 | R62-N69 HydrophobicContact CG-CB 4.39Å; F67-N69 HydrophobicContact CD1-CB 4.18Å; F67-N69 HydrophobicContact CE1-CB 3.64Å; F67-N69 HydrophobicContact CZ-CB 4.39Å; N69-H71 PolarHBondContact O-N 3.29Å; N69-H71 PolarHBondContact OD1-N 3.24Å; N69-A72 HydrophobicContact CB-CB 3.94Å; N69-A72 PolarHBondContact O-N 3.04Å; N69-A72 PolarHBondContact OD1-N 3.11Å; N69-D73 PolarHBondContact O-N 2.96Å | ||
| 70 | E | 97.4 | Very high | 97.1 | Very high | 127 Ų | 127 | 99.1 Ų | 99.1 | 59% | 0.593 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.6 | -33.1 | -177.2 | -59.1 | -175 | 160.4 | 0 | 0 | 113 | R68 D73 F74 | R68-E70 HydrophobicContact CG-CG 4.32Å; R68-E70 IonicContact CZ-OE1 3.75Å; R68-E70 IonicContact NH1-OE1 3.8Å; E70-D73 PolarHBondContact O-N 3.31Å; E70-F74 WeakPolarHBondContact O-CB 3.46Å; E70-F74 PolarHBondContact O-N 3.38Å |
| 71 | H | 97.5 | Very high | 97.1 | Very high | 117 Ų | 117 | 95.5 Ų | 95.5 | 54% | 0.542 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.8 | -176.6 | 78.7 | 0 | 0 | 0 | 112.2 | N69 R75 | N69-H71 PolarHBondContact O-N 3.29Å; N69-H71 PolarHBondContact OD1-N 3.24Å; H71-R75 PolarHBondContact CD2-NE 3.42Å; H71-R75 WeakPolarHBondContact NE2-CD 3.37Å; H71-R75 PolarHBondContact NE2-NE 3.48Å; H71-R75 WeakPolarHBondContact O-CG 3.42Å; H71-R75 PolarHBondContact O-N 3.48Å; H71-R75 VanDerWaalsContact O-N 3.17Å |
| 72 | A | 96.3 | Very high | 97 | Very high | 6 Ų | 6 | 99 Ų | 99 | 5% | 0.05 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | N69 F74 R75 E76 | N69-A72 HydrophobicContact CB-CB 3.94Å; N69-A72 PolarHBondContact O-N 3.04Å; N69-A72 PolarHBondContact OD1-N 3.11Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.17Å; A72-R75 PolarHBondContact O-N 3.18Å; A72-E76 WeakPolarHBondContact O-CG 3.37Å; A72-E76 PolarHBondContact O-N 3.05Å |
| 73 | D | 97.2 | Very high | 97 | Very high | 59 Ų | 59 | 102.6 Ų | 102.6 | 32% | 0.316 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 178.6 | -58.4 | -17.6 | 0 | 0 | 0 | 111 | R62 N69 E70 R75 E76 E77 | R62-D73 IonicContact CZ-OD1 2.73Å; R62-D73 IonicContact NE-OD1 3.55Å; R62-D73 PolarHBondContact NE-OD1 3.25Å; R62-D73 IonicContact NH2-OD1 3.34Å; R62-D73 PolarHBondContact NH2-OD1 3.02Å; N69-D73 PolarHBondContact O-N 2.96Å; E70-D73 PolarHBondContact O-N 3.31Å; D73-R75 PolarHBondContact O-N 3.17Å; D73-E76 PolarHBondContact O-N 3.35Å; D73-E77 PolarHBondContact O-N 2.7Å |
| 74 | F | 97.8 | Very high | 97 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 176.5 | 179.9 | -99 | 0 | 0 | 0 | 112.5 | E70 A72 E76 E77 M78 | E70-F74 WeakPolarHBondContact O-CB 3.46Å; E70-F74 PolarHBondContact O-N 3.38Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.17Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 2.97Å; F74-E77 PolarHBondContact O-N 2.95Å; F74-M78 HydrophobicContact CD1-CG 4.18Å; F74-M78 HydrophobicContact CD2-CG 4.45Å; F74-M78 HydrophobicContact CE1-CG 3.77Å; F74-M78 HydrophobicContact CE2-CG 4.07Å; F74-M78 HydrophobicContact CE2-SD 4.37Å; F74-M78 HydrophobicContact CZ-CG 3.71Å; F74-M78 HydrophobicContact CZ-SD 4.14Å; F74-M78 WeakPolarHBondContact O-CB 3.41Å; F74-M78 VanDerWaalsContact O-CG 3.24Å; F74-M78 WeakPolarHBondContact O-CG 3.44Å; F74-M78 PolarHBondContact O-N 3.39Å |
| 75 | R | 97.3 | Very high | 96.9 | Very high | 149 Ų | 149 | 101.5 Ų | 101.5 | 56% | 0.562 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 179 | -73.6 | -170.5 | -58.3 | 170.9 | 1.9 | 112 | H71 A72 D73 A79 | H71-R75 PolarHBondContact CD2-NE 3.42Å; H71-R75 WeakPolarHBondContact NE2-CD 3.37Å; H71-R75 PolarHBondContact NE2-NE 3.48Å; H71-R75 WeakPolarHBondContact O-CG 3.42Å; H71-R75 PolarHBondContact O-N 3.48Å; H71-R75 VanDerWaalsContact O-N 3.17Å; A72-R75 PolarHBondContact O-N 3.18Å; D73-R75 PolarHBondContact O-N 3.17Å; R75-A79 WeakPolarHBondContact O-CB 3.28Å; R75-A79 PolarHBondContact O-N 2.9Å |
| 76 | E | 96.9 | Very high | 96.7 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 177.3 | -74.9 | 172.6 | -170.6 | 0 | 0 | 111.6 | R62 A72 D73 F74 M78 A79 R80 | R62-E76 IonicContact CZ-OE1 3.49Å; R62-E76 IonicContact CZ-OE2 2.73Å; R62-E76 IonicContact NH1-OE1 3.61Å; R62-E76 PolarHBondContact NH1-OE1 3.04Å; R62-E76 IonicContact NH1-OE2 2.69Å; R62-E76 IonicContact NH2-OE1 2.81Å; R62-E76 PolarHBondContact NH2-OE1 2.88Å; R62-E76 IonicContact NH2-OE2 3.43Å; R62-E76 PolarHBondContact NH2-OE2 3.25Å; A72-E76 WeakPolarHBondContact O-CG 3.37Å; A72-E76 PolarHBondContact O-N 3.05Å; D73-E76 PolarHBondContact O-N 3.35Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 2.97Å; E76-M78 PolarHBondContact O-N 2.96Å; E76-A79 WeakPolarHBondContact O-CB 3.11Å; E76-A79 PolarHBondContact O-N 3.17Å; E76-R80 PolarHBondContact O-N 3.46Å |
| 77 | E | 97.1 | Very high | 96.4 | Very high | 74 Ų | 74 | 101.9 Ų | 101.9 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.8 | -178.5 | 54.3 | -158.1 | 0 | 0 | 111.5 | D73 F74 A79 R80 L81 | D73-E77 PolarHBondContact O-N 2.7Å; F74-E77 PolarHBondContact O-N 2.95Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 2.96Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 3.24Å; E77-R80 IonicContact OE1-CZ 3.38Å; E77-R80 IonicContact OE1-NE 3.22Å; E77-R80 PolarHBondContact OE1-NE 3Å; E77-R80 IonicContact OE1-NH2 3.41Å; E77-R80 PolarHBondContact OE1-NH2 3.19Å; E77-R80 IonicContact OE2-CZ 3.58Å; E77-R80 IonicContact OE2-NE 3.25Å; E77-R80 PolarHBondContact OE2-NE 2.96Å; E77-R80 IonicContact OE2-NH2 2.7Å; E77-L81 HydrophobicContact CG-CD1 4.43Å; E77-L81 WeakPolarHBondContact O-CG 3.36Å; E77-L81 PolarHBondContact O-N 3.4Å |
| 78 | M | 97.1 | Very high | 96.1 | Very high | 80 Ų | 80 | 99.2 Ų | 99.2 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 175.1 | -70.6 | -60.8 | -77 | 0 | 0 | 112.3 | F74 E76 L81 R82 | F74-M78 HydrophobicContact CD1-CG 4.18Å; F74-M78 HydrophobicContact CD2-CG 4.45Å; F74-M78 HydrophobicContact CE1-CG 3.77Å; F74-M78 HydrophobicContact CE2-CG 4.07Å; F74-M78 HydrophobicContact CE2-SD 4.37Å; F74-M78 HydrophobicContact CZ-CG 3.71Å; F74-M78 HydrophobicContact CZ-SD 4.14Å; F74-M78 WeakPolarHBondContact O-CB 3.41Å; F74-M78 VanDerWaalsContact O-CG 3.24Å; F74-M78 WeakPolarHBondContact O-CG 3.44Å; F74-M78 PolarHBondContact O-N 3.39Å; E76-M78 PolarHBondContact O-N 2.96Å; M78-L81 HydrophobicContact SD-CD1 4.43Å; M78-R82 WeakPolarHBondContact O-CB 3.39Å; M78-R82 VanDerWaalsContact O-CG 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.38Å; M78-R82 PolarHBondContact O-N 2.97Å |
| 79 | A | 96.5 | Very high | 95.7 | Very high | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R75 E76 E77 R82 Q83 | R75-A79 WeakPolarHBondContact O-CB 3.28Å; R75-A79 PolarHBondContact O-N 2.9Å; E76-A79 WeakPolarHBondContact O-CB 3.11Å; E76-A79 PolarHBondContact O-N 3.17Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 2.96Å; A79-R82 WeakPolarHBondContact O-CB 3.39Å; A79-R82 PolarHBondContact O-N 3.44Å; A79-Q83 PolarHBondContact O-N 2.95Å |
| 80 | R | 96.6 | Very high | 95.2 | Very high | 141 Ų | 141 | 105.9 Ų | 105.9 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 174.9 | -170.6 | -173.8 | 78.2 | 119.9 | 3.2 | 111.5 | E76 E77 R82 Q83 L84 | E76-R80 PolarHBondContact O-N 3.46Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 3.24Å; E77-R80 IonicContact OE1-CZ 3.38Å; E77-R80 IonicContact OE1-NE 3.22Å; E77-R80 PolarHBondContact OE1-NE 3Å; E77-R80 IonicContact OE1-NH2 3.41Å; E77-R80 PolarHBondContact OE1-NH2 3.19Å; E77-R80 IonicContact OE2-CZ 3.58Å; E77-R80 IonicContact OE2-NE 3.25Å; E77-R80 PolarHBondContact OE2-NE 2.96Å; E77-R80 IonicContact OE2-NH2 2.7Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.33Å; R80-Q83 WeakPolarHBondContact O-CB 3.44Å; R80-Q83 PolarHBondContact O-N 3.41Å; R80-Q83 VanDerWaalsContact O-N 3.11Å; R80-L84 PolarHBondContact O-N 3.42Å |
| 81 | L | 97.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 107.2 Ų | 107.2 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 177.6 | -66.3 | 175.3 | 0 | 0 | 0 | 112.9 | E77 M78 L84 R85 | E77-L81 HydrophobicContact CG-CD1 4.43Å; E77-L81 WeakPolarHBondContact O-CG 3.36Å; E77-L81 PolarHBondContact O-N 3.4Å; M78-L81 HydrophobicContact SD-CD1 4.43Å; L81-L84 HydrophobicContact CD2-CD1 4.49Å; L81-R85 WeakPolarHBondContact O-CG 3.45Å; L81-R85 PolarHBondContact O-N 3.39Å; L81-R85 PolarHBondContact O-NE 2.73Å; L81-R85 VanDerWaalsContact O-NE 3.16Å |
| 82 | R | 96.8 | Very high | 94 | Very high | 132 Ų | 132 | 112.2 Ų | 112.2 | 50% | 0.498 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 172.7 | -79.1 | -176.6 | 63.9 | 168.7 | 2.1 | 112.1 | M78 A79 R80 R85 G86 K87 G88 | M78-R82 WeakPolarHBondContact O-CB 3.39Å; M78-R82 VanDerWaalsContact O-CG 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.38Å; M78-R82 PolarHBondContact O-N 2.97Å; A79-R82 WeakPolarHBondContact O-CB 3.39Å; A79-R82 PolarHBondContact O-N 3.44Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.33Å; R82-R85 PolarHBondContact O-N 3.19Å; R82-G86 PolarHBondContact O-N 2.69Å; R82-K87 PolarHBondContact NE-O 3.37Å; R82-K87 PolarHBondContact NH2-O 3.21Å; R82-K87 VanDerWaalsContact NH2-O 3.14Å; R82-K87 CarbonylContact O-C 3.35Å; R82-K87 WeakPolarHBondContact O-CA 3.29Å; R82-K87 PolarHBondContact O-N 3.06Å; R82-G88 PolarHBondContact O-N 3.41Å |
| 83 | Q | 95.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -45.1 | 176.2 | -171.7 | 63.1 | 35.1 | 0 | 0 | 111 | A79 R80 R85 G86 G88 | A79-Q83 PolarHBondContact O-N 2.95Å; R80-Q83 WeakPolarHBondContact O-CB 3.44Å; R80-Q83 PolarHBondContact O-N 3.41Å; R80-Q83 VanDerWaalsContact O-N 3.11Å; Q83-R85 VanDerWaalsContact C-N 3.25Å; Q83-R85 PolarHBondContact O-N 2.81Å; Q83-G86 PolarHBondContact O-N 3.34Å; Q83-G88 VanDerWaalsContact OE1-CA 3.22Å |
| 84 | L | 95.8 | Very high | 92.5 | Very high | 128 Ų | 128 | 116.8 Ų | 116.8 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -31.2 | 176.9 | -68.9 | 173.4 | 0 | 0 | 0 | 113.2 | R80 L81 G86 | R80-L84 PolarHBondContact O-N 3.42Å; L81-L84 HydrophobicContact CD2-CD1 4.49Å; L84-G86 PolarHBondContact O-N 3Å |
| 85 | R | 95.5 | Very high | 91.3 | Very high | 148 Ų | 148 | 113.2 Ų | 113.2 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.8 | 174.1 | -70 | 179.8 | -67.6 | -174.9 | -1.2 | 114.1 | L81 R82 Q83 K87 | L81-R85 WeakPolarHBondContact O-CG 3.45Å; L81-R85 PolarHBondContact O-N 3.39Å; L81-R85 PolarHBondContact O-NE 2.73Å; L81-R85 VanDerWaalsContact O-NE 3.16Å; R82-R85 PolarHBondContact O-N 3.19Å; Q83-R85 VanDerWaalsContact C-N 3.25Å; Q83-R85 PolarHBondContact O-N 2.81Å; R85-K87 HydrophobicContact CB-CG 4.47Å; R85-K87 PolarHBondContact O-N 3.4Å |
| 86 | G | 92.4 | Very high | 89.9 | Confident | 69 Ų | 69 | 113.8 Ų | 113.8 | 71% | 0.711 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | 9.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R82 Q83 L84 G88 | R82-G86 PolarHBondContact O-N 2.69Å; Q83-G86 PolarHBondContact O-N 3.34Å; L84-G86 PolarHBondContact O-N 3Å; G86-G88 VanDerWaalsContact C-N 3.31Å |
| 87 | K | 92.8 | Very high | 88.6 | Confident | 137 Ų | 137 | 118.7 Ų | 118.7 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | trans | -99.3 | 27.5 | 178.6 | -62.4 | -177.2 | -178.5 | -178.6 | 0 | 112.1 | R82 R85 | R82-K87 PolarHBondContact NE-O 3.37Å; R82-K87 PolarHBondContact NH2-O 3.21Å; R82-K87 VanDerWaalsContact NH2-O 3.14Å; R82-K87 CarbonylContact O-C 3.35Å; R82-K87 WeakPolarHBondContact O-CA 3.29Å; R82-K87 PolarHBondContact O-N 3.06Å; R85-K87 HydrophobicContact CB-CG 4.47Å; R85-K87 PolarHBondContact O-N 3.4Å | ||
| 88 | G | 90.1 | Very high | 86.8 | Confident | 20 Ų | 20 | 116.6 Ų | 116.6 | 21% | 0.206 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -62.8 | 169.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R82 Q83 G86 R90 | R82-G88 PolarHBondContact O-N 3.41Å; Q83-G88 VanDerWaalsContact OE1-CA 3.22Å; G86-G88 VanDerWaalsContact C-N 3.31Å; G88-R90 PolarHBondContact O-N 2.95Å |
| 89 | K | 88.6 | Confident | 84.9 | Confident | 206 Ų | 206 | 119.3 Ų | 119.3 | 90% | 0.896 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.7 | 170.6 | -69.6 | -177.4 | -179.7 | 178.1 | 0 | 108.2 | ||
| 90 | R | 86.7 | Confident | 83.1 | Confident | 157 Ų | 157 | 120.7 Ų | 120.7 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 152.5 | 172.1 | -64.8 | -179.3 | 177.2 | 169.6 | -3.3 | 109.9 | G88 | G88-R90 PolarHBondContact O-N 2.95Š|
| 91 | K | 85.9 | Confident | 81.2 | Confident | 154 Ų | 154 | 122.1 Ų | 122.1 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.3 | 172.9 | -60.5 | -178.2 | -179.7 | 172.9 | 0 | 109.1 | G93 E94 | K91-G93 PolarHBondContact O-N 3.46Å; K91-G93 VanDerWaalsContact O-N 3.1Å; K91-E94 HydrophobicContact CB-CG 4.18Å; K91-E94 WeakPolarHBondContact CB-OE2 3.34Å; K91-E94 PolarHBondContact N-OE2 3.2Å; K91-E94 PolarHBondContact O-N 2.9Å; K91-E94 VanDerWaalsContact O-N 3.1Å |
| 92 | K | 84.5 | Confident | 78.8 | Confident | 223 Ų | 223 | 130.6 Ų | 130.6 | 97% | 0.97 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 116.9 | 177.6 | -172.9 | -179.3 | 179.7 | -175.9 | 0 | 108.2 | ||
| 93 | G | 83.2 | Confident | 77.9 | Confident | 63 Ų | 63 | 130.5 Ų | 130.5 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.5 | -30.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K91 S95 | K91-G93 PolarHBondContact O-N 3.46Å; K91-G93 VanDerWaalsContact O-N 3.1Å; G93-S95 PolarHBondContact O-N 3.16Å |
| 94 | E | 78.3 | Confident | 77 | Confident | 97 Ų | 97 | 131 Ų | 131 | 45% | 0.453 | 66% | 0.657 | S | S | . | * | trans | -81.1 | 34.3 | -178.8 | -62.4 | 173.6 | 168 | 0 | 0 | 112.9 | K91 | K91-E94 HydrophobicContact CB-CG 4.18Å; K91-E94 WeakPolarHBondContact CB-OE2 3.34Å; K91-E94 PolarHBondContact N-OE2 3.2Å; K91-E94 PolarHBondContact O-N 2.9Å; K91-E94 VanDerWaalsContact O-N 3.1Å | ||
| 95 | S | 72.2 | Confident | 75.9 | Confident | 58 Ų | 58 | 131.2 Ų | 131.2 | 41% | 0.406 | 66% | 0.657 | S | S | . | * | trans | -61.6 | 157.7 | 175.7 | 77.3 | 0 | 0 | 0 | 0 | 109.6 | G93 R97 G98 | G93-S95 PolarHBondContact O-N 3.16Å; S95-R97 PolarHBondContact O-N 2.73Å; S95-R97 PolarHBondContact OG-N 3.22Å; S95-G98 PolarHBondContact O-N 3.45Å | ||
| 96 | K | 67.8 | Low | 74.8 | Confident | 161 Ų | 161 | 130.2 Ų | 130.2 | 70% | 0.7 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -21.7 | 175.9 | -66.9 | -168.3 | 175.3 | -176.9 | 0 | 112.4 | ||
| 97 | R | 69.2 | Low | 73.7 | Confident | 203 Ų | 203 | 134 Ų | 134 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -30.5 | 176.9 | -58 | 179.9 | -180 | 171.2 | -1.4 | 113.3 | S95 | S95-R97 PolarHBondContact O-N 2.73Å; S95-R97 PolarHBondContact OG-N 3.22Å |
| 98 | G | 59.4 | Low | 72.4 | Confident | 30 Ų | 30 | 133.8 Ų | 133.8 | 31% | 0.309 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -30.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S95 A100 | S95-G98 PolarHBondContact O-N 3.45Å; G98-A100 VanDerWaalsContact C-N 3.32Å |
| 99 | L | 57.7 | Low | 71.1 | Confident | 137 Ų | 137 | 141.9 Ų | 141.9 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -17.6 | 174.8 | -83.1 | 147.2 | 0 | 0 | 0 | 113.4 | ||
| 100 | A | 59.2 | Low | 69.8 | Low | 82 Ų | 82 | 137 Ų | 137 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G98 | G98-A100 VanDerWaalsContact C-N 3.32Š|
| 101 | Q | 56.6 | Low | 68.4 | Low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -114.3 | 17.6 | -177.4 | -68.4 | -176.7 | -10.3 | 0 | 0 | 113.2 | ||||
| 102 | Q | 46.6 | Very low | 66.8 | Low | 244 Ų | 244 | 133.6 Ų | 133.6 | 100% | 1.14 | 69% | 0.69 | S | S | * | * | trans | -116 | 0 | 171 | -70.6 | -175.8 | 16.1 | 0 | 0 | 110.6 |
Retrieved 102 of 102 residues in 19.2 ms
(Link to these results)